#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kpj s VAL 2 N 0.00 3.00 -0.29 2.03 1.01 -1.26 -5.04 120.40 119.85 2kpj s VAL 2 Ca 0.00 -1.69 -0.14 0.00 0.00 0.00 0.00 61.98 60.15 2kpj s VAL 2 Cb 0.00 -2.88 0.11 0.00 0.00 0.00 0.00 36.38 33.61 2kpj s VAL 2 CO 0.00 -0.33 0.72 -0.75 0.00 0.00 0.00 175.10 174.73 2kpj s LYS 3 N 1.18 0.62 -0.65 2.72 2.20 -1.26 -5.09 119.74 119.46 2kpj s LYS 3 Ca 0.00 1.23 -0.26 0.00 -0.36 0.00 0.00 55.97 56.58 2kpj s LYS 3 Cb -0.21 0.38 -0.06 0.00 -1.51 0.00 0.00 37.83 36.43 2kpj s LYS 3 CO -0.03 -0.16 2.14 -0.51 -0.36 0.00 0.00 175.35 176.44 2kpj s ASP 4 N 2.04 4.75 0.33 1.43 1.11 -1.26 -4.80 116.67 120.28 2kpj s ASP 4 Ca -0.08 0.36 0.12 0.00 0.18 0.00 0.00 52.55 53.13 2kpj s ASP 4 Cb -0.07 -2.53 0.58 0.00 1.07 0.00 0.00 42.92 41.97 2kpj s ASP 4 CO -0.19 -2.85 1.74 0.07 1.18 0.00 0.00 175.17 175.12 2kpj h LYS 5 N 15.50 0.00 -0.40 8.23 2.10 -1.98 -1.72 116.57 138.29 2kpj h LYS 5 Ca -0.15 0.00 0.04 0.00 -2.00 0.00 0.00 60.65 58.53 2kpj h LYS 5 Cb 1.14 0.00 -0.04 0.00 -0.90 0.00 0.00 32.23 32.44 2kpj h LYS 5 CO 1.16 0.47 0.19 1.96 -2.00 0.00 0.00 179.45 181.23 2kpj h GLN 6 N 0.00 0.37 -0.59 0.07 7.50 -1.95 0.56 115.11 121.08 2kpj h GLN 6 Ca -0.00 -0.02 -0.05 0.00 0.50 0.00 0.00 58.65 59.07 2kpj h GLN 6 Cb 0.83 -0.08 -0.03 0.00 0.05 0.00 0.00 27.48 28.25 2kpj h GLN 6 CO 0.06 0.25 0.16 -0.22 -1.50 0.00 0.00 178.83 177.58 2kpj h LYS 7 N 0.39 0.90 -0.00 1.46 3.64 -1.83 -0.68 116.57 120.45 2kpj h LYS 7 Ca 0.18 -0.18 -0.22 0.00 -1.27 0.00 0.00 60.65 59.16 2kpj h LYS 7 Cb 0.10 -0.14 -0.00 0.00 -0.41 0.00 0.00 32.23 31.78 2kpj h LYS 7 CO -0.14 0.79 -0.91 0.00 -2.27 0.00 0.00 179.45 176.92 2kpj h ALA 8 N 1.31 0.41 -0.09 5.00 0.00 -0.70 -2.99 119.26 122.21 2kpj h ALA 8 Ca 0.19 -0.71 -0.06 0.00 0.00 0.00 0.00 54.91 54.34 2kpj h ALA 8 Cb 0.29 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.04 2kpj h ALA 8 CO -0.00 0.83 -0.16 0.82 0.00 0.00 0.00 179.25 180.74 2kpj h ILE 9 N 0.21 1.40 -0.48 0.00 2.04 0.37 0.14 117.51 121.18 2kpj h ILE 9 Ca -0.07 -1.44 0.07 0.00 1.00 0.00 0.00 64.86 64.43 2kpj h ILE 9 Cb 1.55 2.13 -0.06 0.00 -0.74 0.00 0.00 36.82 39.69 2kpj h ILE 9 CO 0.15 0.41 0.15 0.15 0.00 0.00 0.00 178.15 179.01 2kpj h PHE 10 N -0.19 0.26 -0.28 1.37 3.57 -1.21 0.16 116.94 120.62 2kpj h PHE 10 Ca 0.01 0.03 -0.12 0.00 3.53 0.00 0.00 57.97 61.41 2kpj h PHE 10 Cb 0.74 -0.04 -0.00 0.00 2.79 0.00 0.00 35.95 39.43 2kpj h PHE 10 CO 0.11 0.07 -0.31 0.66 -2.23 0.00 0.00 178.31 176.61 2kpj h SER 11 N 0.31 0.75 0.00 0.41 4.64 -1.56 -2.47 113.55 115.64 2kpj h SER 11 Ca 0.23 -0.48 0.01 0.00 -0.47 0.00 0.00 61.79 61.08 2kpj h SER 11 Cb 0.27 -0.21 -0.02 0.00 -0.31 0.00 0.00 62.40 62.13 2kpj h SER 11 CO -0.26 1.08 -0.07 -0.08 -0.87 0.00 0.00 176.83 176.63 2kpj h GLU 12 N 0.44 -0.12 0.48 4.77 4.57 -0.35 0.18 114.58 124.55 2kpj h GLU 12 Ca 0.04 0.01 -0.02 0.00 -1.18 0.00 0.00 59.36 58.21 2kpj h GLU 12 Cb 0.89 0.03 -0.00 0.00 -0.16 0.00 0.00 28.75 29.50 2kpj h GLU 12 CO 0.08 -0.08 -0.29 -0.91 -1.18 0.00 0.00 179.01 176.62 2kpj h ASN 13 N -0.13 -0.73 -0.13 1.04 2.35 -0.75 -1.00 115.58 116.23 2kpj h ASN 13 Ca 0.03 0.04 0.04 0.00 -0.55 0.00 0.00 56.30 55.86 2kpj h ASN 13 Cb 0.16 0.21 -0.04 0.00 0.05 0.00 0.00 38.32 38.70 2kpj h ASN 13 CO -0.07 -0.46 -0.12 0.25 -1.65 0.00 0.00 177.43 175.38 2kpj h LEU 14 N -0.74 -0.37 -1.22 1.61 5.85 -1.31 -1.54 115.31 117.59 2kpj h LEU 14 Ca -0.06 0.07 -0.01 0.00 0.84 0.00 0.00 57.88 58.72 2kpj h LEU 14 Cb 0.60 0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.78 2kpj h LEU 14 CO 0.06 -0.16 0.34 -1.13 -0.34 0.00 0.00 178.44 177.21 2kpj h ASN 15 N -0.14 0.78 -0.47 1.25 -0.73 -0.56 -0.53 115.58 115.18 2kpj h ASN 15 Ca 0.09 -0.06 -0.12 0.00 1.87 0.00 0.00 56.30 58.07 2kpj h ASN 15 Cb 0.26 -0.20 -0.01 0.00 0.27 0.00 0.00 38.32 38.64 2kpj h ASN 15 CO -0.21 0.64 -0.18 0.28 -0.37 0.00 0.00 177.43 177.58 2kpj h SER 16 N 0.88 0.97 -0.58 1.15 0.02 -0.65 -2.48 113.55 112.86 2kpj h SER 16 Ca 0.22 -0.39 -0.10 0.00 -0.84 0.00 0.00 61.79 60.68 2kpj h SER 16 Cb 0.04 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 62.29 2kpj h SER 16 CO -0.04 1.14 -0.05 1.88 -1.14 0.00 0.00 176.83 178.63 2kpj h TYR 17 N 0.80 1.16 -0.69 3.45 0.05 -0.61 -1.96 116.97 119.18 2kpj h TYR 17 Ca 0.11 -0.22 0.08 0.00 0.05 0.00 0.00 58.73 58.75 2kpj h TYR 17 Cb 0.75 -0.30 -0.06 0.00 1.01 0.00 0.00 36.73 38.13 2kpj h TYR 17 CO 0.05 1.04 0.35 0.82 -1.05 0.00 0.00 178.16 179.38 2kpj h ILE 18 N 0.94 0.89 0.00 -2.88 2.04 -0.97 0.42 117.51 117.96 2kpj h ILE 18 Ca 0.16 -0.21 -0.12 0.00 1.00 0.00 0.00 64.86 65.69 2kpj h ILE 18 Cb 0.61 0.21 -0.02 0.00 -0.74 0.00 0.00 36.82 36.89 2kpj h ILE 18 CO 0.04 0.11 -0.56 0.00 0.00 0.00 0.00 178.15 177.75 2kpj h ALA 19 N 1.39 1.02 0.24 1.87 0.00 -1.23 0.11 119.26 122.67 2kpj h ALA 19 Ca 0.33 -0.51 -0.33 0.00 0.00 0.00 0.00 54.91 54.40 2kpj h ALA 19 Cb 0.29 -0.09 0.04 0.00 0.00 0.00 0.00 17.79 18.03 2kpj h ALA 19 CO -0.24 0.70 -1.47 0.87 0.00 0.00 0.00 179.25 179.11 2kpj h LYS 20 N 0.00 0.52 -0.01 0.00 1.79 -0.54 -3.21 116.57 115.12 2kpj h LYS 20 Ca -0.01 -0.88 -0.08 0.00 -2.18 0.00 0.00 60.65 57.50 2kpj h LYS 20 Cb 1.02 0.33 -0.01 0.00 -1.58 0.00 0.00 32.23 31.99 2kpj h LYS 20 CO 0.07 1.42 -0.39 0.77 -1.08 0.00 0.00 179.45 180.25 2kpj h SER 21 N 0.11 0.01 -5.47 0.86 0.02 -0.18 -3.48 113.55 105.43 2kpj h SER 21 Ca -0.26 -0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 60.64 2kpj h SER 21 Cb 2.13 -0.00 0.01 0.00 0.14 0.00 0.00 62.40 64.68 2kpj h SER 21 CO 0.26 0.40 -0.10 1.21 -1.14 0.00 0.00 176.83 177.46 2kpj n GLU 22 N -4.08 -1.36 -4.19 3.45 2.13 0.02 -5.05 120.64 111.56 2kpj n GLU 22 Ca -0.02 1.43 -0.13 0.00 0.66 0.00 0.00 57.16 59.10 2kpj n GLU 22 Cb 0.42 -5.54 -0.10 0.00 0.27 0.00 0.00 31.44 26.49 2kpj n GLU 22 CO 0.00 0.00 0.00 0.21 -0.41 0.00 0.00 177.13 176.93 2kpj s LYS 23 N -3.18 0.90 0.19 5.31 2.47 -1.21 -5.08 119.74 119.14 2kpj s LYS 23 Ca 0.01 -1.28 -0.30 0.00 -1.56 0.00 0.00 55.97 52.84 2kpj s LYS 23 Cb -0.00 -0.47 -0.08 0.00 -1.46 0.00 0.00 37.83 35.82 2kpj s LYS 23 CO 0.76 0.05 1.11 0.95 0.16 0.00 0.00 175.35 178.38 2kpj s THR 24 N -3.00 3.80 0.22 3.43 -4.23 -1.26 -4.92 115.64 109.67 2kpj s THR 24 Ca 0.10 1.58 -0.09 0.00 -1.18 0.00 0.00 61.69 62.10 2kpj s THR 24 Cb 0.01 -4.01 0.18 0.00 1.34 0.00 0.00 72.50 70.02 2kpj s THR 24 CO -0.01 0.28 1.88 1.56 -0.54 0.00 0.00 174.62 177.79 2kpj h GLN 25 N 4.97 1.09 -0.70 3.99 4.20 -2.00 -1.92 115.11 124.75 2kpj h GLN 25 Ca -0.45 -0.08 0.06 0.00 0.06 0.00 0.00 58.65 58.24 2kpj h GLN 25 Cb 1.21 -0.24 -0.05 0.00 0.30 0.00 0.00 27.48 28.70 2kpj h GLN 25 CO 0.72 0.74 0.40 1.25 -0.67 0.00 0.00 178.83 181.28 2kpj h LEU 26 N 1.12 0.61 -0.03 1.46 6.46 -1.94 -0.89 115.31 122.10 2kpj h LEU 26 Ca 0.30 0.02 0.00 0.00 -0.12 0.00 0.00 57.88 58.09 2kpj h LEU 26 Cb -0.09 -0.10 -0.00 0.00 -0.73 0.00 0.00 40.66 39.74 2kpj h LEU 26 CO -0.06 0.40 0.00 -0.08 -0.62 0.00 0.00 178.44 178.08 2kpj h GLU 27 N 0.75 0.01 -0.23 1.25 4.22 -1.76 0.13 114.58 118.95 2kpj h GLU 27 Ca 0.31 -0.00 0.01 0.00 0.08 0.00 0.00 59.36 59.76 2kpj h GLU 27 Cb 0.17 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.40 2kpj h GLU 27 CO -0.17 0.01 0.14 0.82 -2.18 0.00 0.00 179.01 177.62 2kpj h ILE 28 N 0.01 1.03 -0.78 2.32 2.04 -1.02 0.09 117.51 121.20 2kpj h ILE 28 Ca 0.01 -0.10 -0.03 0.00 1.00 0.00 0.00 64.86 65.74 2kpj h ILE 28 Cb 0.01 0.73 -0.04 0.00 -0.74 0.00 0.00 36.82 36.78 2kpj h ILE 28 CO -0.02 0.05 0.36 0.00 0.00 0.00 0.00 178.15 178.54 2kpj h ALA 29 N 1.10 1.16 -0.71 1.87 0.00 -0.99 -1.73 119.26 119.96 2kpj h ALA 29 Ca 0.09 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.79 2kpj h ALA 29 Cb -0.01 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.44 2kpj h ALA 29 CO -0.04 0.63 0.28 -0.22 0.00 0.00 0.00 179.25 179.90 2kpj h LYS 30 N 1.11 1.07 0.00 0.00 3.11 -0.23 -0.33 116.57 121.31 2kpj h LYS 30 Ca 0.27 -0.20 0.00 0.00 -2.81 0.00 0.00 60.65 57.91 2kpj h LYS 30 Cb 0.14 -0.17 0.00 0.00 -1.00 0.00 0.00 32.23 31.20 2kpj h LYS 30 CO -0.03 0.89 0.00 1.03 -2.81 0.00 0.00 179.45 178.53 2kpj h SER 31 N 1.02 0.00 0.12 4.20 0.87 -0.46 -2.89 113.55 116.42 2kpj h SER 31 Ca 0.24 0.00 -0.20 0.00 -1.23 0.00 0.00 61.79 60.60 2kpj h SER 31 Cb 0.22 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 62.19 2kpj h SER 31 CO -0.02 0.00 -0.95 0.40 -0.53 0.00 0.00 176.83 175.73 2kpj h ILE 32 N 0.00 1.38 0.00 2.23 2.04 -0.66 -3.49 117.51 119.01 2kpj h ILE 32 Ca 0.00 -2.48 0.00 0.00 1.00 0.00 0.00 64.86 63.38 2kpj h ILE 32 Cb 0.55 3.05 0.00 0.00 -0.74 0.00 0.00 36.82 39.68 2kpj h ILE 32 CO 0.00 0.70 0.00 0.61 0.00 0.00 0.00 178.15 179.46 2kpj n GLY 33 N 1.68 1.77 2.27 5.37 0.00 -0.23 -5.04 105.19 111.01 2kpj n GLY 33 Ca -0.17 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.66 2kpj n GLY 33 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2kpj n VAL 34 N -0.55 0.00 -4.00 1.61 0.24 -0.62 -5.04 118.33 109.98 2kpj n VAL 34 Ca 0.00 -1.55 -0.24 0.00 -2.04 0.00 0.00 64.34 60.51 2kpj n VAL 34 Cb 0.00 0.43 -0.03 0.00 -1.47 0.00 0.00 33.84 32.76 2kpj n VAL 34 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 2kpj s SER 35 N -2.72 6.09 0.52 -1.34 0.01 -1.26 -4.07 113.70 110.94 2kpj s SER 35 Ca 0.07 0.04 0.21 0.00 1.31 0.00 0.00 55.95 57.58 2kpj s SER 35 Cb 0.00 -1.75 1.33 0.00 0.21 0.00 0.00 66.02 65.81 2kpj s SER 35 CO 0.05 0.02 2.05 -0.65 0.41 0.00 0.00 173.24 175.11 2kpj h PRO 36 N 1.88 0.02 -0.74 12.44 0.11 -1.90 0.89 132.00 144.70 2kpj h PRO 36 Ca -0.49 -0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.56 2kpj h PRO 36 Cb 1.21 -0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.28 2kpj h PRO 36 CO 0.65 0.01 0.23 0.37 -0.21 0.00 0.00 178.00 179.06 2kpj h GLN 37 N 0.02 1.15 -0.53 1.05 4.15 -1.98 0.13 115.11 119.09 2kpj h GLN 37 Ca 0.16 -0.24 -0.12 0.00 0.77 0.00 0.00 58.65 59.23 2kpj h GLN 37 Cb 0.63 -0.17 -0.02 0.00 0.21 0.00 0.00 27.48 28.14 2kpj h GLN 37 CO -0.01 0.97 -0.12 1.15 -1.93 0.00 0.00 178.83 178.90 2kpj h THR 38 N 1.10 1.27 -0.35 2.39 2.02 -1.26 -2.18 112.91 115.89 2kpj h THR 38 Ca 0.24 -1.28 -0.06 0.00 0.77 0.00 0.00 66.41 66.08 2kpj h THR 38 Cb 0.30 1.00 -0.02 0.00 -1.74 0.00 0.00 68.15 67.69 2kpj h THR 38 CO -0.01 0.45 -0.04 0.15 0.37 0.00 0.00 175.52 176.44 2kpj h PHE 39 N 0.89 0.60 -0.57 3.16 3.57 -0.97 -2.77 116.94 120.84 2kpj h PHE 39 Ca 0.13 -0.07 -0.06 0.00 3.53 0.00 0.00 57.97 61.50 2kpj h PHE 39 Cb 0.69 -0.17 -0.03 0.00 2.79 0.00 0.00 35.95 39.24 2kpj h PHE 39 CO 0.05 0.61 0.10 -0.97 -2.23 0.00 0.00 178.31 175.87 2kpj h ASN 40 N 0.54 0.85 0.39 0.41 -0.73 -0.15 0.40 115.58 117.29 2kpj h ASN 40 Ca 0.11 -0.18 -0.02 0.00 1.87 0.00 0.00 56.30 58.08 2kpj h ASN 40 Cb 0.41 -0.22 -0.00 0.00 0.27 0.00 0.00 38.32 38.77 2kpj h ASN 40 CO 0.02 0.86 -0.09 0.71 -0.37 0.00 0.00 177.43 178.55 2kpj h THR 41 N 0.86 0.46 0.13 -3.57 1.35 -1.13 0.56 112.91 111.57 2kpj h THR 41 Ca 0.18 -0.47 -0.35 0.00 -0.55 0.00 0.00 66.41 65.22 2kpj h THR 41 Cb 0.36 1.32 -0.01 0.00 -1.73 0.00 0.00 68.15 68.09 2kpj h THR 41 CO 0.01 0.09 -1.85 -0.50 -0.25 0.00 0.00 175.52 173.02 2kpj h TRP 42 N 0.00 0.50 -0.50 4.73 6.55 -1.41 0.22 115.95 126.04 2kpj h TRP 42 Ca -0.00 -0.37 -0.08 0.00 0.95 0.00 0.00 58.89 59.39 2kpj h TRP 42 Cb 0.31 -0.02 -0.02 0.00 -0.86 0.00 0.00 29.16 28.57 2kpj h TRP 42 CO 0.00 1.73 -0.01 0.00 -1.05 0.00 0.00 178.44 179.11 2kpj n LYS 44 N -4.20 1.13 -3.33 0.00 0.00 0.15 -4.84 118.16 107.05 2kpj n LYS 44 Ca 0.03 -0.32 -0.17 0.00 0.00 0.00 0.00 58.31 57.84 2kpj n LYS 44 Cb 0.31 -1.49 0.08 0.00 0.00 0.00 0.00 35.03 33.92 2kpj n LYS 44 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2kpj n GLY 45 N 1.11 -0.30 0.12 3.14 0.00 -0.51 -4.95 105.19 103.79 2kpj n GLY 45 Ca 0.21 0.07 -0.24 0.00 0.00 0.00 0.00 46.02 46.06 2kpj n GLY 45 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2kpj n ILE 46 N -4.09 1.55 -4.09 -0.61 5.41 0.66 -4.82 119.36 113.37 2kpj n ILE 46 Ca -0.16 -0.18 -0.12 0.00 1.00 0.00 0.00 62.75 63.30 2kpj n ILE 46 Cb 0.61 -1.96 -0.11 0.00 -0.71 0.00 0.00 39.64 37.47 2kpj n ILE 46 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2kpj s ALA 47 N -2.42 0.64 -0.21 -1.39 0.00 -0.63 -5.05 121.76 112.71 2kpj s ALA 47 Ca -0.32 -0.94 -0.07 0.00 0.00 0.00 0.00 51.96 50.64 2kpj s ALA 47 Cb 0.09 0.10 -0.03 0.00 0.00 0.00 0.00 23.12 23.27 2kpj s ALA 47 CO 0.57 -0.11 0.05 0.42 0.00 0.00 0.00 175.76 176.70 2kpj s ILE 48 N -2.14 4.48 1.06 0.00 1.01 -1.26 -4.26 121.20 120.09 2kpj s ILE 48 Ca -0.04 -0.13 -0.15 0.00 0.00 0.00 0.00 60.65 60.34 2kpj s ILE 48 Cb -0.05 -3.04 0.22 0.00 0.01 0.00 0.00 42.46 39.60 2kpj s ILE 48 CO -0.02 0.41 1.11 -2.16 0.00 0.00 0.00 174.94 174.28 2kpj s PRO 49 N 0.90 -0.06 0.54 2.79 0.04 -1.26 -5.07 135.00 132.88 2kpj s PRO 49 Ca 0.03 0.27 0.00 0.00 0.04 0.00 0.00 61.00 61.35 2kpj s PRO 49 Cb -0.14 -1.70 0.03 0.00 0.04 0.00 0.00 34.50 32.73 2kpj s PRO 49 CO 0.02 -3.01 0.77 1.03 0.04 0.00 0.00 177.00 175.86 2kpj s ARG 50 N -5.15 2.66 0.28 4.56 0.52 -1.26 -4.85 118.95 115.71 2kpj s ARG 50 Ca 0.67 -0.65 0.01 0.00 -0.52 0.00 0.00 55.73 55.25 2kpj s ARG 50 Cb -0.15 -2.48 0.62 0.00 0.52 0.00 0.00 34.95 33.46 2kpj s ARG 50 CO 0.57 -0.64 1.75 0.52 0.02 0.00 0.00 175.30 177.51 2kpj h MET 51 N 0.10 0.56 -0.53 3.54 2.86 -1.98 0.18 114.93 119.66 2kpj h MET 51 Ca -0.43 -0.03 0.08 0.00 -2.06 0.00 0.00 59.70 57.25 2kpj h MET 51 Cb 1.29 -0.13 -0.03 0.00 0.06 0.00 0.00 31.60 32.79 2kpj h MET 51 CO 0.54 0.37 0.36 0.78 1.06 0.00 0.00 176.91 180.02 2kpj h GLY 52 N 0.58 0.52 1.16 8.32 0.00 -2.00 0.23 103.07 111.88 2kpj h GLY 52 Ca 0.51 -0.16 -0.30 0.00 0.00 0.00 0.00 47.33 47.38 2kpj h GLY 52 CO -0.41 0.11 -1.59 0.50 0.00 0.00 0.00 176.54 175.15 2kpj h LYS 53 N 0.39 0.18 -0.39 4.80 1.57 -1.39 -3.31 116.57 118.43 2kpj h LYS 53 Ca 0.24 -0.31 -0.04 0.00 -1.87 0.00 0.00 60.65 58.68 2kpj h LYS 53 Cb 0.44 0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.84 2kpj h LYS 53 CO -0.06 0.99 0.09 0.28 -0.57 0.00 0.00 179.45 180.17 2kpj h VAL 54 N 0.05 1.18 -0.74 0.50 2.07 -0.20 -2.18 116.25 116.93 2kpj h VAL 54 Ca -0.26 -0.65 -0.01 0.00 0.82 0.00 0.00 66.70 66.61 2kpj h VAL 54 Cb 2.00 0.80 -0.04 0.00 -1.52 0.00 0.00 31.29 32.53 2kpj h VAL 54 CO 0.13 0.23 0.43 1.56 0.02 0.00 0.00 177.57 179.95 2kpj h GLN 55 N 0.56 1.01 -0.40 1.57 1.08 -0.67 0.58 115.11 118.84 2kpj h GLN 55 Ca 0.13 -0.10 -0.12 0.00 -1.45 0.00 0.00 58.65 57.11 2kpj h GLN 55 Cb 0.23 -0.21 -0.01 0.00 -0.05 0.00 0.00 27.48 27.44 2kpj h GLN 55 CO -0.00 0.72 -0.23 0.00 -0.95 0.00 0.00 178.83 178.36 2kpj h ALA 56 N 1.45 0.57 -0.05 3.87 0.00 -1.50 -0.57 119.26 123.04 2kpj h ALA 56 Ca 0.26 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.79 2kpj h ALA 56 Cb -0.02 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.63 2kpj h ALA 56 CO -0.05 0.56 0.03 -0.07 0.00 0.00 0.00 179.25 179.73 2kpj h LEU 57 N 0.69 0.06 -1.54 0.00 3.38 -0.99 -0.01 115.31 116.89 2kpj h LEU 57 Ca 0.09 -0.01 -0.05 0.00 0.09 0.00 0.00 57.88 58.00 2kpj h LEU 57 Cb 0.80 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.53 2kpj h LEU 57 CO 0.07 0.05 -0.24 0.00 0.09 0.00 0.00 178.44 178.41 2kpj h ALA 58 N 1.01 1.53 0.13 1.53 0.00 -0.82 -2.62 119.26 120.03 2kpj h ALA 58 Ca 0.02 -0.22 -0.29 0.00 0.00 0.00 0.00 54.91 54.42 2kpj h ALA 58 Cb 0.00 -0.04 0.03 0.00 0.00 0.00 0.00 17.79 17.78 2kpj h ALA 58 CO -0.00 0.30 -1.21 0.22 0.00 0.00 0.00 179.25 178.55 2kpj h ASP 59 N 0.00 0.83 -0.80 0.00 3.58 -0.73 0.95 116.42 120.26 2kpj h ASP 59 Ca -0.00 -0.84 -0.00 0.00 0.42 0.00 0.00 57.03 56.60 2kpj h ASP 59 Cb 0.44 -0.26 -0.04 0.00 1.72 0.00 0.00 39.33 41.19 2kpj h ASP 59 CO 0.03 1.59 0.48 0.22 -2.88 0.00 0.00 179.24 178.69 2kpj h TYR 60 N 0.19 1.05 0.00 0.28 3.20 -0.78 -1.39 116.97 119.52 2kpj h TYR 60 Ca -0.19 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.68 2kpj h TYR 60 Cb 1.90 -0.35 0.00 0.00 1.54 0.00 0.00 36.73 39.82 2kpj h TYR 60 CO 0.13 0.70 -0.46 1.19 -1.64 0.00 0.00 178.16 178.07 2kpj n PHE 61 N -4.47 0.41 -2.78 -3.82 3.01 -1.01 -4.95 117.46 103.85 2kpj n PHE 61 Ca 0.08 0.12 -0.21 0.00 1.01 0.00 0.00 57.45 58.45 2kpj n PHE 61 Cb 0.05 -0.58 0.02 0.00 -0.01 0.00 0.00 39.48 38.97 2kpj n PHE 61 CO 0.00 0.00 0.00 -1.71 1.01 0.00 0.00 176.76 176.06 2kpj n ASN 62 N -1.92 -5.86 0.00 4.37 4.05 0.26 -4.93 115.26 111.22 2kpj n ASN 62 Ca 0.04 -0.19 0.00 0.00 0.45 0.00 0.00 54.58 54.89 2kpj n ASN 62 Cb 0.40 -4.75 0.00 0.00 1.23 0.00 0.00 39.78 36.66 2kpj n ASN 62 CO 0.00 0.00 0.00 2.30 -3.05 0.00 0.00 177.26 176.51 2kpj n ILE 63 N -4.32 0.00 -3.61 -1.44 -5.35 -0.75 -5.00 119.36 98.89 2kpj n ILE 63 Ca -0.15 0.00 -0.02 0.00 -0.27 0.00 0.00 62.75 62.31 2kpj n ILE 63 Cb 0.64 -0.52 -0.02 0.00 -1.74 0.00 0.00 39.64 38.00 2kpj n ILE 63 CO 0.00 0.00 0.00 0.21 -1.76 0.00 0.00 176.55 175.00 2kpj s ASN 64 N -0.54 -0.09 0.32 7.28 3.84 -1.26 -5.01 114.94 119.47 2kpj s ASN 64 Ca 0.00 -0.04 0.11 0.00 0.21 0.00 0.00 52.86 53.14 2kpj s ASN 64 Cb 0.00 0.12 0.53 0.00 -0.55 0.00 0.00 41.25 41.35 2kpj s ASN 64 CO 0.00 -0.21 1.72 0.07 -2.79 0.00 0.00 177.10 175.89 2kpj h LYS 65 N 2.00 0.04 -0.69 0.43 2.10 -1.90 -3.16 116.57 115.39 2kpj h LYS 65 Ca -0.15 -0.02 -0.03 0.00 -2.00 0.00 0.00 60.65 58.45 2kpj h LYS 65 Cb 1.17 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 32.47 2kpj h LYS 65 CO 0.24 0.51 0.30 0.77 -2.00 0.00 0.00 179.45 179.27 2kpj h SER 66 N 0.03 0.93 0.20 7.07 0.02 -1.99 -1.39 113.55 118.43 2kpj h SER 66 Ca -0.00 -0.16 -0.01 0.00 -0.84 0.00 0.00 61.79 60.78 2kpj h SER 66 Cb 0.86 -0.24 -0.00 0.00 0.14 0.00 0.00 62.40 63.16 2kpj h SER 66 CO 0.06 0.83 -0.07 0.44 -1.14 0.00 0.00 176.83 176.96 2kpj h ASP 67 N 0.97 0.00 0.09 3.07 5.19 -1.88 -1.22 116.42 122.64 2kpj h ASP 67 Ca 0.23 0.00 -0.37 0.00 -0.62 0.00 0.00 57.03 56.27 2kpj h ASP 67 Cb 0.17 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 39.65 2kpj h ASP 67 CO -0.02 0.07 -2.15 0.18 -3.12 0.00 0.00 179.24 174.20 2kpj n LEU 68 N -3.76 2.72 0.08 1.55 4.77 -0.97 -4.51 117.00 116.88 2kpj n LEU 68 Ca -0.02 0.10 -0.22 0.00 -0.03 0.00 0.00 56.01 55.84 2kpj n LEU 68 Cb 0.17 -1.04 -0.12 0.00 -2.33 0.00 0.00 43.42 40.10 2kpj n LEU 68 CO 0.29 0.88 -0.04 0.40 -1.33 0.00 0.00 177.39 177.59 2kpj h ILE 69 N 0.05 1.28 -2.25 -0.08 1.08 -1.07 -3.35 117.51 113.17 2kpj h ILE 69 Ca -0.47 -2.43 -0.45 0.00 -0.39 0.00 0.00 64.86 61.12 2kpj h ILE 69 Cb 1.99 2.63 0.06 0.00 -3.07 0.00 0.00 36.82 38.43 2kpj h ILE 69 CO 0.03 0.74 -0.00 -1.61 -0.69 0.00 0.00 178.15 176.62 2kpj s GLU 70 N -3.05 2.27 0.84 2.37 2.02 -0.48 -4.65 118.70 118.03 2kpj s GLU 70 Ca -0.09 -0.96 -0.10 0.00 0.02 0.00 0.00 54.97 53.83 2kpj s GLU 70 Cb 0.06 -2.46 0.10 0.00 0.10 0.00 0.00 34.13 31.92 2kpj s GLU 70 CO 0.93 -0.93 1.11 0.34 0.02 0.00 0.00 175.26 176.73 2kpj s ASP 71 N -4.53 3.84 -0.01 -0.19 -1.08 -1.26 -4.83 116.67 108.60 2kpj s ASP 71 Ca 0.60 1.90 0.01 0.00 -0.52 0.00 0.00 52.55 54.54 2kpj s ASP 71 Cb -0.08 -2.50 0.05 0.00 -1.46 0.00 0.00 42.92 38.92 2kpj s ASP 71 CO 0.40 -2.47 0.57 1.17 0.52 0.00 0.00 175.17 175.36 2kpj n LYS 72 N -3.81 1.22 -0.12 4.34 4.81 -1.26 -3.88 118.16 119.46 2kpj n LYS 72 Ca 0.10 -0.18 0.02 0.00 -0.87 0.00 0.00 58.31 57.38 2kpj n LYS 72 Cb 0.53 -1.54 0.07 0.00 0.02 0.00 0.00 35.03 34.11 2kpj n LYS 72 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 2kpj n LYS 73 N 0.04 1.54 -2.20 1.64 4.76 -1.26 -4.65 118.16 118.03 2kpj n LYS 73 Ca 0.02 -0.60 -0.37 0.00 -2.87 0.00 0.00 58.31 54.49 2kpj n LYS 73 Cb 0.30 -1.34 -0.03 0.00 -1.84 0.00 0.00 35.03 32.13 2kpj n LYS 73 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 2kpj n LEU 74 N 0.02 4.29 -4.55 -0.35 4.77 -1.25 -4.92 117.00 115.01 2kpj n LEU 74 Ca 0.05 -3.56 -0.43 0.00 -0.03 0.00 0.00 56.01 52.04 2kpj n LEU 74 Cb 0.26 -1.69 -0.04 0.00 -2.33 0.00 0.00 43.42 39.62 2kpj n LEU 74 CO 0.05 -0.60 0.80 0.21 -1.33 0.00 0.00 177.39 176.52 2kpj s ASN 75 N 5.10 6.44 0.57 -1.43 2.47 -1.26 -5.03 114.94 121.80 2kpj s ASN 75 Ca 0.59 -0.04 -0.18 0.00 0.42 0.00 0.00 52.86 53.65 2kpj s ASN 75 Cb 0.04 -2.46 -0.04 0.00 -1.45 0.00 0.00 41.25 37.33 2kpj s ASN 75 CO 0.09 -1.17 1.13 -0.63 -3.72 0.00 0.00 177.10 172.80 2kpj s ILE 76 N 4.00 3.17 -1.61 -5.21 1.01 -1.26 -4.90 121.20 116.40 2kpj s ILE 76 Ca 0.36 0.68 0.00 0.00 0.00 0.00 0.00 60.65 61.69 2kpj s ILE 76 Cb -0.10 -3.24 0.00 0.00 0.01 0.00 0.00 42.46 39.12 2kpj s ILE 76 CO 0.24 -0.20 0.65 -0.90 0.00 0.00 0.00 174.94 174.72 2kpj n ASP 77 N -1.57 0.31 -2.02 3.58 5.75 -1.26 -4.77 116.55 116.58 2kpj n ASP 77 Ca 0.11 -1.60 0.00 0.00 -0.01 0.00 0.00 54.79 53.29 2kpj n ASP 77 Cb 0.51 -0.16 0.00 0.00 -1.03 0.00 0.00 41.12 40.44 2kpj n ASP 77 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 2kpj n THR 78 N -0.27 0.00 -3.49 2.12 -2.24 -1.26 -5.03 114.28 104.12 2kpj n THR 78 Ca 0.00 0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.35 2kpj n THR 78 Cb 0.08 -1.69 -0.05 0.00 -2.10 0.00 0.00 70.33 66.57 2kpj n THR 78 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2kpj s VAL 79 N -0.08 4.88 0.39 2.28 0.11 -1.26 -5.07 120.40 121.65 2kpj s VAL 79 Ca 0.00 -2.76 -0.27 0.00 -2.93 0.00 0.00 61.98 56.03 2kpj s VAL 79 Cb 0.00 -4.05 -0.11 0.00 -1.53 0.00 0.00 36.38 30.69 2kpj s VAL 79 CO 0.00 -0.98 1.32 -0.81 -3.33 0.00 0.00 175.10 171.29 2kpj n PRO 80 N 3.66 2.12 -2.06 1.54 -0.04 -1.26 -4.94 135.00 134.02 2kpj n PRO 80 Ca 0.12 0.75 -0.39 0.00 -0.04 0.00 0.00 63.50 63.94 2kpj n PRO 80 Cb 0.43 -2.42 -0.00 0.00 -0.04 0.00 0.00 33.50 31.47 2kpj n PRO 80 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 2kpj s ILE 81 N -1.15 2.64 -0.50 0.52 1.01 -1.26 -4.86 121.20 117.60 2kpj s ILE 81 Ca 0.58 0.55 -0.29 0.00 0.00 0.00 0.00 60.65 61.50 2kpj s ILE 81 Cb -0.52 -3.32 -0.10 0.00 0.01 0.00 0.00 42.46 38.54 2kpj s ILE 81 CO 0.60 0.07 2.39 -0.62 0.00 0.00 0.00 174.94 177.38 2kpj n GLU 82 N -0.03 1.04 -3.92 2.79 4.71 -1.26 -4.92 120.64 119.05 2kpj n GLU 82 Ca 0.05 0.13 -0.15 0.00 -0.01 0.00 0.00 57.16 57.18 2kpj n GLU 82 Cb 0.44 -2.98 -0.15 0.00 -1.01 0.00 0.00 31.44 27.75 2kpj n GLU 82 CO 0.00 0.00 0.00 0.45 0.09 0.00 0.00 177.13 177.67 2kpj s SER 83 N 10.38 0.24 0.69 1.62 0.15 -1.26 -5.16 113.70 120.37 2kpj s SER 83 Ca 1.06 -0.02 0.01 0.00 0.70 0.00 0.00 55.95 57.70 2kpj s SER 83 Cb -0.47 -0.09 0.12 0.00 -1.71 0.00 0.00 66.02 63.87 2kpj s SER 83 CO 0.35 -0.04 0.95 -0.83 1.20 0.00 0.00 173.24 174.86 2kpj s GLY 84 N 0.48 1.76 -0.07 9.45 0.00 -1.26 -5.12 107.32 112.56 2kpj s GLY 84 Ca -0.04 -1.77 -0.04 0.00 0.00 0.00 0.00 44.72 42.86 2kpj s GLY 84 CO -0.01 -1.24 0.16 -0.47 0.00 0.00 0.00 173.10 171.55 2kpj s TYR 85 N -3.05 -0.19 -0.15 1.90 5.04 -1.26 -5.15 117.35 114.49 2kpj s TYR 85 Ca 0.65 0.51 -0.12 0.00 -2.44 0.00 0.00 57.07 55.67 2kpj s TYR 85 Cb -0.06 -0.02 -0.05 0.00 0.35 0.00 0.00 41.96 42.19 2kpj s TYR 85 CO 0.43 -0.15 0.25 0.95 -1.34 0.00 0.00 175.55 175.69 2kpj s THR 86 N 0.86 5.33 -0.16 4.34 -4.23 -1.26 -5.08 115.64 115.43 2kpj s THR 86 Ca -0.06 0.47 -0.06 0.00 -1.18 0.00 0.00 61.69 60.85 2kpj s THR 86 Cb -0.08 -3.58 -0.04 0.00 1.34 0.00 0.00 72.50 70.14 2kpj s THR 86 CO -0.04 0.44 0.05 -0.76 -0.54 0.00 0.00 174.62 173.76 2kpj s LEU 87 N 0.17 3.77 0.01 4.79 2.01 -1.26 -5.08 118.68 123.09 2kpj s LEU 87 Ca 0.15 0.10 -0.30 0.00 0.01 0.00 0.00 54.13 54.09 2kpj s LEU 87 Cb -0.13 -1.93 -0.04 0.00 0.01 0.00 0.00 46.19 44.10 2kpj s LEU 87 CO 0.03 0.22 1.18 -1.61 1.01 0.00 0.00 176.35 177.18 2kpj s GLU 88 N 0.10 4.41 -0.13 1.70 8.01 -1.26 -5.03 118.70 126.50 2kpj s GLU 88 Ca 0.04 1.70 -0.03 0.00 0.01 0.00 0.00 54.97 56.69 2kpj s GLU 88 Cb -0.12 -3.44 -0.03 0.00 -4.31 0.00 0.00 34.13 26.22 2kpj s GLU 88 CO 0.01 -0.31 -0.02 -1.01 0.01 0.00 0.00 175.26 173.94 2kpj s HIS 89 N 1.50 3.09 0.04 1.61 3.76 -1.26 -5.02 115.29 119.02 2kpj s HIS 89 Ca 0.57 -0.07 -0.15 0.00 -0.15 0.00 0.00 55.06 55.26 2kpj s HIS 89 Cb -0.27 -1.90 -0.33 0.00 1.11 0.00 0.00 32.58 31.19 2kpj s HIS 89 CO 0.26 0.17 1.04 0.45 -0.85 0.00 0.00 174.74 175.82 2kpj h HIS 90 N 6.12 0.96 -4.94 1.40 3.86 -2.08 -3.49 115.15 116.97 2kpj h HIS 90 Ca -0.39 -0.67 0.00 0.00 -1.16 0.00 0.00 60.37 58.15 2kpj h HIS 90 Cb 1.19 -0.05 -0.01 0.00 1.06 0.00 0.00 27.41 29.59 2kpj h HIS 90 CO 0.57 1.52 -0.96 1.58 0.86 0.00 0.00 177.93 181.49 2kpj n HIS 91 N -3.73 -3.73 -3.75 2.45 -0.00 -1.26 -5.05 115.22 100.15 2kpj n HIS 91 Ca -0.15 1.70 -0.26 0.00 -0.00 0.00 0.00 57.72 59.01 2kpj n HIS 91 Cb 1.07 -3.81 -0.17 0.00 -0.00 0.00 0.00 29.99 27.08 2kpj n HIS 91 CO 0.00 0.00 0.00 -3.38 -0.00 0.00 0.00 176.34 172.96 2kpj s HIS 92 N -1.42 0.89 -1.00 1.57 -3.43 -1.26 -5.00 115.29 105.64 2kpj s HIS 92 Ca -0.02 -0.60 0.29 0.00 -0.80 0.00 0.00 55.06 53.93 2kpj s HIS 92 Cb 0.00 -0.94 1.21 0.00 -1.43 0.00 0.00 32.58 31.42 2kpj s HIS 92 CO 0.72 -0.51 1.91 1.58 -2.00 0.00 0.00 174.74 176.45 2kpj n HIS 93 N 5.09 0.00 -1.23 0.38 -0.00 -1.26 -5.33 115.22 112.87 2kpj n HIS 93 Ca -0.08 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.10 2kpj n HIS 93 Cb 0.48 -0.49 0.00 0.00 -0.12 0.00 0.00 29.99 29.86 2kpj n HIS 93 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38