#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 5.26 0.00 2.03 0.11 -1.26 -4.96 120.40 121.58 2kpj s VAL 2 Ca 0.00 0.12 0.00 0.00 -2.93 0.00 0.00 61.98 59.17 2kpj s VAL 2 Cb 0.00 -3.33 0.00 0.00 -1.53 0.00 0.00 36.38 31.52 2kpj s VAL 2 CO 0.00 0.54 0.00 0.29 -3.33 0.00 0.00 175.10 172.60 2kpj n LYS 3 N 2.65 0.00 -2.81 1.54 5.02 -1.26 -5.07 118.16 118.23 2kpj n LYS 3 Ca -0.18 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 55.69 2kpj n LYS 3 Cb 0.54 0.00 -0.04 0.00 -0.02 0.00 0.00 35.03 35.51 2kpj n LYS 3 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 2kpj s ASP 4 N -0.66 6.86 0.34 4.39 -1.08 -1.26 -4.93 116.67 120.33 2kpj s ASP 4 Ca 0.00 1.01 0.12 0.00 -0.52 0.00 0.00 52.55 53.16 2kpj s ASP 4 Cb 0.00 -2.47 0.60 0.00 -1.46 0.00 0.00 42.92 39.59 2kpj s ASP 4 CO 0.00 -0.64 1.75 0.11 0.52 0.00 0.00 175.17 176.91 2kpj h LYS 5 N 7.83 0.00 -0.20 4.34 1.79 -2.00 -2.93 116.57 125.41 2kpj h LYS 5 Ca -0.22 0.00 -0.17 0.00 -2.18 0.00 0.00 60.65 58.08 2kpj h LYS 5 Cb 1.08 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.73 2kpj h LYS 5 CO 0.93 0.46 -0.56 0.37 -1.08 0.00 0.00 179.45 179.56 2kpj h GLN 6 N 0.00 0.60 -0.92 3.15 5.75 -1.98 -1.15 115.11 120.56 2kpj h GLN 6 Ca -0.00 -0.39 0.03 0.00 -0.15 0.00 0.00 58.65 58.14 2kpj h GLN 6 Cb 0.82 0.05 -0.05 0.00 1.07 0.00 0.00 27.48 29.36 2kpj h GLN 6 CO 0.06 1.00 0.61 0.87 -2.65 0.00 0.00 178.83 178.71 2kpj h LYS 7 N 0.46 1.13 -0.49 1.69 1.57 -1.87 0.32 116.57 119.38 2kpj h LYS 7 Ca 0.01 -0.07 -0.07 0.00 -1.87 0.00 0.00 60.65 58.65 2kpj h LYS 7 Cb 1.12 -0.26 -0.02 0.00 0.08 0.00 0.00 32.23 33.15 2kpj h LYS 7 CO 0.11 0.75 0.03 0.00 -0.57 0.00 0.00 179.45 179.77 2kpj h ALA 8 N 1.46 0.66 0.00 3.86 0.00 -1.25 0.05 119.26 124.03 2kpj h ALA 8 Ca 0.36 -0.27 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 2kpj h ALA 8 Cb -0.00 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.61 2kpj h ALA 8 CO -0.11 0.44 -0.00 0.82 0.00 0.00 0.00 179.25 180.40 2kpj h ILE 9 N 0.71 1.02 0.40 0.00 2.04 -0.65 -0.44 117.51 120.58 2kpj h ILE 9 Ca 0.14 -0.07 -0.02 0.00 1.00 0.00 0.00 64.86 65.92 2kpj h ILE 9 Cb 0.47 1.07 0.00 0.00 -0.74 0.00 0.00 36.82 37.62 2kpj h ILE 9 CO 0.02 0.02 -0.19 0.15 0.00 0.00 0.00 178.15 178.15 2kpj h PHE 10 N -0.03 -0.50 -0.43 1.37 3.04 -0.84 -2.38 116.94 117.16 2kpj h PHE 10 Ca -0.00 -0.01 -0.03 0.00 3.98 0.00 0.00 57.97 61.91 2kpj h PHE 10 Cb 0.03 0.16 -0.02 0.00 2.56 0.00 0.00 35.95 38.69 2kpj h PHE 10 CO -0.07 -0.30 0.15 0.66 -2.02 0.00 0.00 178.31 176.74 2kpj h SER 11 N -0.55 0.61 -0.27 0.41 4.64 -0.97 -1.08 113.55 116.33 2kpj h SER 11 Ca -0.05 -0.19 -0.00 0.00 -0.47 0.00 0.00 61.79 61.08 2kpj h SER 11 Cb 0.42 -0.16 -0.01 0.00 -0.31 0.00 0.00 62.40 62.34 2kpj h SER 11 CO 0.09 0.63 0.16 -0.08 -0.87 0.00 0.00 176.83 176.76 2kpj h GLU 12 N 0.55 0.36 -0.22 4.77 4.81 -1.07 0.51 114.58 124.30 2kpj h GLU 12 Ca 0.14 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.33 2kpj h GLU 12 Cb 0.23 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.52 2kpj h GLU 12 CO -0.01 0.28 0.08 -0.91 -0.73 0.00 0.00 179.01 177.72 2kpj h ASN 13 N 0.34 0.31 -0.21 1.04 2.35 -1.32 -1.39 115.58 116.70 2kpj h ASN 13 Ca 0.10 -0.17 -0.01 0.00 -0.55 0.00 0.00 56.30 55.66 2kpj h ASN 13 Cb 0.01 -0.08 -0.01 0.00 0.05 0.00 0.00 38.32 38.29 2kpj h ASN 13 CO -0.02 0.40 0.08 0.25 -1.65 0.00 0.00 177.43 176.49 2kpj h LEU 14 N 0.20 0.29 -0.93 1.61 5.85 -0.93 -2.52 115.31 118.87 2kpj h LEU 14 Ca 0.07 -0.16 0.08 0.00 0.84 0.00 0.00 57.88 58.70 2kpj h LEU 14 Cb 0.19 -0.07 -0.07 0.00 0.37 0.00 0.00 40.66 41.08 2kpj h LEU 14 CO -0.01 0.37 0.59 -1.13 -0.34 0.00 0.00 178.44 177.92 2kpj h ASN 15 N 0.19 0.91 -0.26 1.25 -0.73 0.11 -0.01 115.58 117.04 2kpj h ASN 15 Ca 0.07 0.02 0.01 0.00 1.87 0.00 0.00 56.30 58.27 2kpj h ASN 15 Cb 0.17 -0.17 -0.02 0.00 0.27 0.00 0.00 38.32 38.58 2kpj h ASN 15 CO -0.01 0.56 0.15 -1.28 -0.37 0.00 0.00 177.43 176.49 2kpj h SER 16 N 1.04 0.25 -0.26 1.15 0.87 -0.99 -1.46 113.55 114.14 2kpj h SER 16 Ca 0.42 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.96 2kpj h SER 16 Cb 0.24 -0.05 -0.01 0.00 -0.44 0.00 0.00 62.40 62.13 2kpj h SER 16 CO -0.19 0.18 0.08 1.88 -0.53 0.00 0.00 176.83 178.25 2kpj h TYR 17 N 0.31 0.42 -0.16 2.24 0.05 -0.89 -1.20 116.97 117.75 2kpj h TYR 17 Ca 0.10 -0.04 0.05 0.00 0.05 0.00 0.00 58.73 58.89 2kpj h TYR 17 Cb -0.00 -0.12 -0.05 0.00 1.01 0.00 0.00 36.73 37.57 2kpj h TYR 17 CO -0.08 0.46 -0.15 0.82 -1.05 0.00 0.00 178.16 178.16 2kpj h ILE 18 N 0.26 0.60 -0.52 -2.88 2.04 -0.79 0.23 117.51 116.45 2kpj h ILE 18 Ca 0.09 0.00 -0.10 0.00 1.00 0.00 0.00 64.86 65.84 2kpj h ILE 18 Cb 0.23 0.60 -0.02 0.00 -0.74 0.00 0.00 36.82 36.89 2kpj h ILE 18 CO -0.00 0.00 -0.07 0.00 0.00 0.00 0.00 178.15 178.08 2kpj h ALA 19 N 0.92 0.70 0.00 1.87 0.00 -1.23 -2.94 119.26 118.59 2kpj h ALA 19 Ca 0.10 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.69 2kpj h ALA 19 Cb 0.32 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.92 2kpj h ALA 19 CO -0.26 0.58 0.00 0.87 0.00 0.00 0.00 179.25 180.44 2kpj h LYS 20 N 0.82 0.00 0.00 0.00 1.79 -0.83 -2.56 116.57 115.80 2kpj h LYS 20 Ca 0.14 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.61 2kpj h LYS 20 Cb 0.62 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.27 2kpj h LYS 20 CO 0.04 0.00 -0.23 0.43 -1.08 0.00 0.00 179.45 178.61 2kpj n SER 21 N -2.99 0.62 -3.59 0.86 7.64 0.76 -4.94 113.62 111.98 2kpj n SER 21 Ca 0.03 0.35 -0.21 0.00 1.01 0.00 0.00 58.87 60.06 2kpj n SER 21 Cb 0.44 -0.37 0.07 0.00 -1.01 0.00 0.00 64.21 63.34 2kpj n SER 21 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 2kpj n GLU 22 N -2.03 -6.26 -4.87 1.43 2.13 -0.96 -5.00 120.64 105.07 2kpj n GLU 22 Ca 0.05 0.76 -0.25 0.00 0.66 0.00 0.00 57.16 58.37 2kpj n GLU 22 Cb 0.41 -5.64 -0.16 0.00 0.27 0.00 0.00 31.44 26.33 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 -5.83 1.55 0.54 5.31 2.47 -1.21 -5.10 119.74 117.46 2kpj s LYS 23 Ca 0.17 -0.64 -0.19 0.00 -1.56 0.00 0.00 55.97 53.75 2kpj s LYS 23 Cb -0.08 -1.46 -0.06 0.00 -1.46 0.00 0.00 37.83 34.78 2kpj s LYS 23 CO 0.76 0.36 1.10 0.95 0.16 0.00 0.00 175.35 178.68 2kpj s THR 24 N -0.32 3.39 0.33 3.43 -4.23 -1.26 -4.77 115.64 112.22 2kpj s THR 24 Ca 0.04 0.84 0.06 0.00 -1.18 0.00 0.00 61.69 61.45 2kpj s THR 24 Cb -0.08 -3.33 0.31 0.00 1.34 0.00 0.00 72.50 70.74 2kpj s THR 24 CO -0.00 -0.22 1.86 1.56 -0.54 0.00 0.00 174.62 177.28 2kpj h GLN 25 N 1.16 0.78 -0.22 3.99 7.50 -1.99 -1.72 115.11 124.61 2kpj h GLN 25 Ca -0.49 -0.05 -0.02 0.00 0.50 0.00 0.00 58.65 58.59 2kpj h GLN 25 Cb 1.25 -0.18 -0.01 0.00 0.05 0.00 0.00 27.48 28.59 2kpj h GLN 25 CO 0.57 0.51 0.08 1.25 -1.50 0.00 0.00 178.83 179.74 2kpj h LEU 26 N 0.80 0.31 -0.42 1.46 6.46 -1.93 -0.66 115.31 121.34 2kpj h LEU 26 Ca 0.46 -0.19 0.02 0.00 -0.12 0.00 0.00 57.88 58.05 2kpj h LEU 26 Cb 0.62 -0.08 -0.03 0.00 -0.73 0.00 0.00 40.66 40.44 2kpj h LEU 26 CO -0.22 0.42 0.24 -0.08 -0.62 0.00 0.00 178.44 178.17 2kpj h GLU 27 N 0.19 0.47 -0.57 1.25 4.22 -1.71 -0.01 114.58 118.42 2kpj h GLU 27 Ca 0.07 -0.03 -0.10 0.00 0.08 0.00 0.00 59.36 59.39 2kpj h GLU 27 Cb 0.21 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.33 2kpj h GLU 27 CO -0.00 0.31 -0.02 0.82 -2.18 0.00 0.00 179.01 177.94 2kpj h ILE 28 N 0.48 1.26 -0.90 2.32 2.04 -1.34 -2.65 117.51 118.72 2kpj h ILE 28 Ca 0.17 -1.16 0.02 0.00 1.00 0.00 0.00 64.86 64.89 2kpj h ILE 28 Cb 0.02 0.84 -0.05 0.00 -0.74 0.00 0.00 36.82 36.90 2kpj h ILE 28 CO -0.09 0.42 0.60 0.00 0.00 0.00 0.00 178.15 179.08 2kpj h ALA 29 N 1.04 1.38 -0.89 1.87 0.00 -0.43 -1.60 119.26 120.62 2kpj h ALA 29 Ca 0.16 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 2kpj h ALA 29 Cb 0.57 -0.35 -0.04 0.00 0.00 0.00 0.00 17.79 17.96 2kpj h ALA 29 CO 0.03 0.57 0.55 0.87 0.00 0.00 0.00 179.25 181.27 2kpj h LYS 30 N 1.20 1.19 0.00 0.00 1.57 -0.68 0.38 116.57 120.23 2kpj h LYS 30 Ca 0.34 -0.10 -0.04 0.00 -1.87 0.00 0.00 60.65 58.99 2kpj h LYS 30 Cb -0.10 -0.26 -0.01 0.00 0.08 0.00 0.00 32.23 31.95 2kpj h LYS 30 CO -0.08 0.82 -0.17 0.77 -0.57 0.00 0.00 179.45 180.22 2kpj h SER 31 N 1.21 0.00 0.09 0.86 0.02 -1.03 -3.03 113.55 111.66 2kpj h SER 31 Ca 0.32 0.00 -0.28 0.00 -0.84 0.00 0.00 61.79 60.99 2kpj h SER 31 Cb -0.08 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.44 2kpj h SER 31 CO -0.06 0.17 -1.47 0.40 -1.14 0.00 0.00 176.83 174.73 2kpj h ILE 32 N 0.00 0.93 0.00 3.27 2.04 -0.69 -3.49 117.51 119.57 2kpj h ILE 32 Ca -0.00 -2.33 0.00 0.00 1.00 0.00 0.00 64.86 63.53 2kpj h ILE 32 Cb 0.65 2.57 0.00 0.00 -0.74 0.00 0.00 36.82 39.29 2kpj h ILE 32 CO 0.02 0.65 0.00 0.61 0.00 0.00 0.00 178.15 179.43 2kpj n GLY 33 N 1.72 1.46 3.82 5.37 0.00 0.13 -5.03 105.19 112.66 2kpj n GLY 33 Ca -0.28 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.49 2kpj n GLY 33 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2kpj s VAL 34 N -2.00 2.03 0.07 1.61 -7.23 -0.67 -5.02 120.40 109.19 2kpj s VAL 34 Ca 0.00 -1.59 -0.11 0.00 -1.81 0.00 0.00 61.98 58.47 2kpj s VAL 34 Cb 0.00 -2.62 -0.06 0.00 0.56 0.00 0.00 36.38 34.26 2kpj s VAL 34 CO 0.00 0.00 0.41 -0.44 -0.31 0.00 0.00 175.10 174.76 2kpj s SER 35 N -4.08 6.68 0.47 4.85 0.01 -1.26 -4.40 113.70 115.97 2kpj s SER 35 Ca 0.37 0.84 0.22 0.00 1.31 0.00 0.00 55.95 58.68 2kpj s SER 35 Cb 0.00 -2.20 1.24 0.00 0.21 0.00 0.00 66.02 65.28 2kpj s SER 35 CO 0.21 0.19 1.92 1.55 0.41 0.00 0.00 173.24 177.51 2kpj h PRO 36 N 3.83 0.22 -0.93 12.44 0.13 -1.91 0.02 132.00 145.79 2kpj h PRO 36 Ca -0.49 -0.01 -0.01 0.00 -0.87 0.00 0.00 66.00 64.61 2kpj h PRO 36 Cb 1.20 -0.05 -0.04 0.00 0.13 0.00 0.00 31.00 32.23 2kpj h PRO 36 CO 0.66 0.14 0.54 0.37 -0.23 0.00 0.00 178.00 179.48 2kpj h GLN 37 N 0.22 1.27 -0.14 0.86 4.15 -1.98 0.16 115.11 119.65 2kpj h GLN 37 Ca 0.38 -0.13 -0.22 0.00 0.77 0.00 0.00 58.65 59.45 2kpj h GLN 37 Cb 1.16 -0.26 0.01 0.00 0.21 0.00 0.00 27.48 28.60 2kpj h GLN 37 CO -0.08 0.90 -0.78 1.15 -1.93 0.00 0.00 178.83 178.09 2kpj h THR 38 N 1.28 1.29 -0.34 2.39 2.02 -1.42 -2.93 112.91 115.21 2kpj h THR 38 Ca 0.33 -2.01 -0.06 0.00 0.77 0.00 0.00 66.41 65.43 2kpj h THR 38 Cb -0.02 2.02 -0.02 0.00 -1.74 0.00 0.00 68.15 68.39 2kpj h THR 38 CO -0.06 0.63 -0.05 0.15 0.37 0.00 0.00 175.52 176.56 2kpj h PHE 39 N 0.49 0.59 -0.68 3.16 3.04 -1.00 -2.74 116.94 119.80 2kpj h PHE 39 Ca -0.05 -0.08 -0.04 0.00 3.98 0.00 0.00 57.97 61.78 2kpj h PHE 39 Cb 1.40 -0.16 -0.03 0.00 2.56 0.00 0.00 35.95 39.72 2kpj h PHE 39 CO 0.08 0.61 0.25 -0.97 -2.02 0.00 0.00 178.31 176.26 2kpj h ASN 40 N 0.52 0.96 0.68 0.41 -1.24 -0.55 -1.48 115.58 114.87 2kpj h ASN 40 Ca 0.10 -0.18 -0.02 0.00 0.71 0.00 0.00 56.30 56.91 2kpj h ASN 40 Cb 0.42 -0.25 -0.00 0.00 0.73 0.00 0.00 38.32 39.22 2kpj h ASN 40 CO 0.02 0.88 -0.09 0.71 -1.29 0.00 0.00 177.43 177.66 2kpj h THR 41 N 0.98 0.29 -0.01 -3.57 1.35 -1.31 -0.63 112.91 110.01 2kpj h THR 41 Ca 0.22 -0.60 -0.23 0.00 -0.55 0.00 0.00 66.41 65.25 2kpj h THR 41 Cb 0.24 1.46 0.02 0.00 -1.73 0.00 0.00 68.15 68.14 2kpj h THR 41 CO -0.01 0.09 -0.90 -0.50 -0.25 0.00 0.00 175.52 173.94 2kpj h TRP 42 N 0.00 0.92 0.00 4.73 6.55 -1.21 0.08 115.95 127.03 2kpj h TRP 42 Ca -0.00 -0.50 -0.06 0.00 0.95 0.00 0.00 58.89 59.28 2kpj h TRP 42 Cb 0.45 -0.11 -0.01 0.00 -0.86 0.00 0.00 29.16 28.64 2kpj h TRP 42 CO 0.00 1.33 -0.29 0.00 -1.05 0.00 0.00 178.44 178.43 2kpj n LYS 44 N -4.09 0.44 -1.65 0.00 4.76 -0.32 -4.91 118.16 112.39 2kpj n LYS 44 Ca -0.02 -0.11 -0.10 0.00 -2.87 0.00 0.00 58.31 55.21 2kpj n LYS 44 Cb 0.34 -1.50 -0.03 0.00 -1.84 0.00 0.00 35.03 32.01 2kpj n LYS 44 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2kpj n GLY 45 N 1.34 0.69 0.12 0.72 0.00 -0.46 -4.92 105.19 102.68 2kpj n GLY 45 Ca 0.12 -0.51 -0.21 0.00 0.00 0.00 0.00 46.02 45.42 2kpj n GLY 45 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2kpj h ILE 46 N 0.00 1.40 -3.85 -0.61 2.04 -1.20 -3.44 117.51 111.85 2kpj h ILE 46 Ca -0.23 -2.52 -0.31 0.00 1.00 0.00 0.00 64.86 62.81 2kpj h ILE 46 Cb 0.88 3.10 -0.19 0.00 -0.74 0.00 0.00 36.82 39.86 2kpj h ILE 46 CO 0.30 0.72 -0.74 0.00 0.00 0.00 0.00 178.15 178.44 2kpj s ALA 47 N -2.44 0.92 -0.17 1.87 0.00 -1.09 -5.05 121.76 115.81 2kpj s ALA 47 Ca -0.15 -1.03 -0.02 0.00 0.00 0.00 0.00 51.96 50.75 2kpj s ALA 47 Cb 0.02 0.03 -0.02 0.00 0.00 0.00 0.00 23.12 23.15 2kpj s ALA 47 CO 0.82 -0.02 -0.07 0.42 0.00 0.00 0.00 175.76 176.91 2kpj s ILE 48 N -2.03 3.42 0.60 0.00 1.01 -1.26 -4.29 121.20 118.66 2kpj s ILE 48 Ca -0.00 -0.51 -0.17 0.00 0.00 0.00 0.00 60.65 59.96 2kpj s ILE 48 Cb -0.05 -2.50 -0.03 0.00 0.01 0.00 0.00 42.46 39.89 2kpj s ILE 48 CO -0.00 0.48 1.13 -2.16 0.00 0.00 0.00 174.94 174.39 2kpj s PRO 49 N 0.70 3.03 0.84 2.79 0.04 -1.26 -5.03 135.00 136.11 2kpj s PRO 49 Ca -0.04 1.55 -0.12 0.00 0.04 0.00 0.00 61.00 62.43 2kpj s PRO 49 Cb -0.15 -1.97 0.10 0.00 0.04 0.00 0.00 34.50 32.52 2kpj s PRO 49 CO 0.02 -1.09 1.12 0.50 0.04 0.00 0.00 177.00 177.58 2kpj s ARG 50 N -3.65 1.73 0.58 4.56 3.52 -1.26 -4.69 118.95 119.74 2kpj s ARG 50 Ca 0.71 0.48 0.28 0.00 -0.13 0.00 0.00 55.73 57.07 2kpj s ARG 50 Cb -0.23 -1.89 1.53 0.00 -1.56 0.00 0.00 34.95 32.79 2kpj s ARG 50 CO 0.34 -1.83 1.99 0.00 -0.81 0.00 0.00 175.30 174.99 2kpj h MET 51 N -1.23 0.00 -0.73 5.12 -0.00 -1.98 -0.19 114.93 115.92 2kpj h MET 51 Ca -0.48 0.00 -0.02 0.00 -0.00 0.00 0.00 59.70 59.19 2kpj h MET 51 Cb 1.30 0.00 -0.03 0.00 -0.00 0.00 0.00 31.60 32.86 2kpj h MET 51 CO 0.61 0.00 0.37 0.78 -0.00 0.00 0.00 176.91 178.66 2kpj h GLY 52 N 0.00 1.12 1.17 -3.00 0.00 -2.01 -1.81 103.07 98.55 2kpj h GLY 52 Ca 0.18 -0.54 -0.03 0.00 0.00 0.00 0.00 47.33 46.93 2kpj h GLY 52 CO -0.00 0.52 -0.92 0.50 0.00 0.00 0.00 176.54 176.64 2kpj h LYS 53 N 1.02 0.00 -0.51 4.80 6.56 -1.41 -3.29 116.57 123.74 2kpj h LYS 53 Ca 0.25 0.00 -0.05 0.00 -1.06 0.00 0.00 60.65 59.79 2kpj h LYS 53 Cb 0.10 0.00 -0.02 0.00 -0.57 0.00 0.00 32.23 31.74 2kpj h LYS 53 CO -0.03 0.07 0.11 0.28 -2.06 0.00 0.00 179.45 177.82 2kpj h VAL 54 N 0.00 1.24 -0.60 0.50 2.07 -1.07 -2.43 116.25 115.97 2kpj h VAL 54 Ca -0.03 -0.88 -0.01 0.00 0.82 0.00 0.00 66.70 66.60 2kpj h VAL 54 Cb 1.12 0.84 -0.03 0.00 -1.52 0.00 0.00 31.29 31.70 2kpj h VAL 54 CO 0.01 0.32 0.32 -0.61 0.02 0.00 0.00 177.57 177.63 2kpj h GLN 55 N 0.71 0.83 -0.40 1.57 5.75 -1.43 -0.34 115.11 121.80 2kpj h GLN 55 Ca 0.16 -0.09 -0.06 0.00 -0.15 0.00 0.00 58.65 58.51 2kpj h GLN 55 Cb 0.35 -0.17 -0.02 0.00 1.07 0.00 0.00 27.48 28.71 2kpj h GLN 55 CO 0.00 0.62 0.01 0.00 -2.65 0.00 0.00 178.83 176.81 2kpj h ALA 56 N 1.51 1.26 0.12 3.38 0.00 -1.56 0.18 119.26 124.15 2kpj h ALA 56 Ca 0.21 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 2kpj h ALA 56 Cb 0.04 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.66 2kpj h ALA 56 CO -0.03 0.50 -0.06 -0.07 0.00 0.00 0.00 179.25 179.59 2kpj h LEU 57 N 0.61 -0.13 -0.87 0.00 3.38 -0.87 -2.67 115.31 114.75 2kpj h LEU 57 Ca 0.13 -0.31 0.01 0.00 0.09 0.00 0.00 57.88 57.79 2kpj h LEU 57 Cb 0.37 0.03 -0.04 0.00 0.09 0.00 0.00 40.66 41.11 2kpj h LEU 57 CO 0.01 0.26 0.57 0.00 0.09 0.00 0.00 178.44 179.37 2kpj h ALA 58 N 0.27 1.11 -0.24 1.53 0.00 -0.78 -1.40 119.26 119.75 2kpj h ALA 58 Ca -0.02 -0.07 -0.10 0.00 0.00 0.00 0.00 54.91 54.73 2kpj h ALA 58 Cb 0.44 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 2kpj h ALA 58 CO 0.03 0.52 -0.28 0.22 0.00 0.00 0.00 179.25 179.74 2kpj h ASP 59 N 1.19 0.48 -0.27 0.00 3.58 -0.72 0.12 116.42 120.80 2kpj h ASP 59 Ca 0.32 -0.17 -0.14 0.00 0.42 0.00 0.00 57.03 57.46 2kpj h ASP 59 Cb -0.12 -0.13 -0.00 0.00 1.72 0.00 0.00 39.33 40.79 2kpj h ASP 59 CO -0.07 0.75 -0.38 0.22 -2.88 0.00 0.00 179.24 176.88 2kpj h TYR 60 N 0.41 0.91 -0.00 0.28 3.20 -1.05 -3.12 116.97 117.60 2kpj h TYR 60 Ca 0.06 -0.30 0.00 0.00 3.14 0.00 0.00 58.73 61.62 2kpj h TYR 60 Cb 0.71 -0.18 0.00 0.00 1.54 0.00 0.00 36.73 38.80 2kpj h TYR 60 CO 0.02 1.08 -0.19 1.19 -1.64 0.00 0.00 178.16 178.62 2kpj n PHE 61 N -4.18 0.00 -1.19 -3.82 3.72 -0.58 -4.89 117.46 106.51 2kpj n PHE 61 Ca -0.04 0.00 -0.07 0.00 -0.05 0.00 0.00 57.45 57.29 2kpj n PHE 61 Cb 0.53 -0.18 -0.03 0.00 -0.94 0.00 0.00 39.48 38.86 2kpj n PHE 61 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 176.76 175.00 2kpj n ASN 62 N -0.91 -4.81 -2.87 4.37 2.85 0.31 -4.98 115.26 109.21 2kpj n ASN 62 Ca 0.12 0.16 -0.08 0.00 -0.11 0.00 0.00 54.58 54.68 2kpj n ASN 62 Cb 0.31 -2.89 0.04 0.00 1.24 0.00 0.00 39.78 38.49 2kpj n ASN 62 CO 0.00 0.00 0.00 2.30 -2.11 0.00 0.00 177.26 177.45 2kpj n ILE 63 N -2.47 0.00 -3.98 -1.44 -5.35 -0.44 -4.99 119.36 100.69 2kpj n ILE 63 Ca -0.07 -0.54 -0.28 0.00 -0.27 0.00 0.00 62.75 61.60 2kpj n ILE 63 Cb 0.39 -1.24 -0.04 0.00 -1.74 0.00 0.00 39.64 37.01 2kpj n ILE 63 CO 0.00 0.00 0.00 0.20 -1.76 0.00 0.00 176.55 174.99 2kpj s ASN 64 N -2.42 6.11 0.45 7.28 0.01 -1.26 -4.52 114.94 120.59 2kpj s ASN 64 Ca 0.23 0.12 0.13 0.00 -0.71 0.00 0.00 52.86 52.63 2kpj s ASN 64 Cb -0.01 -1.79 1.03 0.00 0.41 0.00 0.00 41.25 40.88 2kpj s ASN 64 CO 0.15 0.09 2.03 0.07 -1.51 0.00 0.00 177.10 177.93 2kpj h LYS 65 N 2.50 0.09 -0.16 -0.60 2.10 -1.92 -2.72 116.57 115.85 2kpj h LYS 65 Ca -0.47 -0.01 -0.07 0.00 -2.00 0.00 0.00 60.65 58.09 2kpj h LYS 65 Cb 1.19 -0.02 -0.01 0.00 -0.90 0.00 0.00 32.23 32.49 2kpj h LYS 65 CO 0.69 0.18 -0.22 0.66 -2.00 0.00 0.00 179.45 178.76 2kpj h SER 66 N 0.09 0.28 -0.81 7.07 4.64 -1.97 -3.06 113.55 119.79 2kpj h SER 66 Ca 0.02 -0.08 0.16 0.00 -0.47 0.00 0.00 61.79 61.42 2kpj h SER 66 Cb 0.21 -0.08 -0.06 0.00 -0.31 0.00 0.00 62.40 62.17 2kpj h SER 66 CO 0.01 0.51 0.54 0.44 -0.87 0.00 0.00 176.83 177.46 2kpj h ASP 67 N 0.26 0.45 0.31 4.97 5.19 -1.89 0.41 116.42 126.11 2kpj h ASP 67 Ca 0.04 0.03 -0.32 0.00 -0.62 0.00 0.00 57.03 56.16 2kpj h ASP 67 Cb 0.54 -0.06 -0.06 0.00 0.18 0.00 0.00 39.33 39.93 2kpj h ASP 67 CO 0.04 0.22 -1.96 0.18 -3.12 0.00 0.00 179.24 174.60 2kpj n LEU 68 N -4.50 0.56 0.06 1.55 4.77 -1.16 -4.42 117.00 113.85 2kpj n LEU 68 Ca 0.16 0.26 0.11 0.00 -0.03 0.00 0.00 56.01 56.52 2kpj n LEU 68 Cb 0.55 0.29 -0.05 0.00 -2.33 0.00 0.00 43.42 41.87 2kpj n LEU 68 CO 0.32 0.43 -0.23 -0.38 -1.33 0.00 0.00 177.39 176.20 2kpj n ILE 69 N -2.94 0.38 -0.72 -0.08 2.08 -0.69 -4.14 119.36 113.24 2kpj n ILE 69 Ca -0.23 -0.50 -0.28 0.00 0.56 0.00 0.00 62.75 62.30 2kpj n ILE 69 Cb 1.09 -0.17 0.24 0.00 -0.75 0.00 0.00 39.64 40.04 2kpj n ILE 69 CO 0.00 0.00 0.00 -1.83 0.56 0.00 0.00 176.55 175.28 2kpj s GLU 70 N -3.40 -0.76 0.17 0.38 -1.05 0.13 -5.05 118.70 109.13 2kpj s GLU 70 Ca -0.02 0.66 0.02 0.00 -0.15 0.00 0.00 54.97 55.48 2kpj s GLU 70 Cb 0.11 -1.59 -0.05 0.00 -0.44 0.00 0.00 34.13 32.17 2kpj s GLU 70 CO 0.83 -3.57 -0.02 0.34 0.95 0.00 0.00 175.26 173.79 2kpj s ASP 71 N -2.84 1.36 0.00 0.83 -1.08 -1.26 -4.91 116.67 108.78 2kpj s ASP 71 Ca 0.68 -1.14 0.29 0.00 -0.52 0.00 0.00 52.55 51.86 2kpj s ASP 71 Cb -0.22 0.08 1.28 0.00 -1.46 0.00 0.00 42.92 42.60 2kpj s ASP 71 CO 0.62 -0.52 1.88 1.17 0.52 0.00 0.00 175.17 178.84 2kpj n LYS 72 N -0.24 1.09 -0.09 4.34 4.81 -1.26 -3.08 118.16 123.73 2kpj n LYS 72 Ca -0.07 -0.44 0.03 0.00 -0.87 0.00 0.00 58.31 56.95 2kpj n LYS 72 Cb 0.63 -1.49 0.08 0.00 0.02 0.00 0.00 35.03 34.26 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 -0.57 1.41 -2.91 1.64 5.02 -1.26 -4.65 118.16 116.84 2kpj n LYS 73 Ca 0.18 -0.61 -0.44 0.00 -2.02 0.00 0.00 58.31 55.42 2kpj n LYS 73 Cb 0.27 -1.15 -0.01 0.00 -0.02 0.00 0.00 35.03 34.12 2kpj n LYS 73 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2kpj s LEU 74 N -0.99 4.95 0.09 -0.35 1.43 -1.18 -4.69 118.68 117.95 2kpj s LEU 74 Ca 0.11 -2.56 0.00 0.00 -1.03 0.00 0.00 54.13 50.65 2kpj s LEU 74 Cb 0.06 -2.41 0.00 0.00 0.03 0.00 0.00 46.19 43.87 2kpj s LEU 74 CO 0.08 -0.91 0.00 -3.20 0.23 0.00 0.00 176.35 172.55 2kpj n ASN 75 N 6.21 -5.49 -4.75 2.29 2.85 -1.26 -4.94 115.26 110.16 2kpj n ASN 75 Ca 0.32 0.72 -0.41 0.00 -0.11 0.00 0.00 54.58 55.10 2kpj n ASN 75 Cb 0.46 -3.03 -0.03 0.00 1.24 0.00 0.00 39.78 38.41 2kpj n ASN 75 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 2kpj s ILE 76 N -0.26 3.30 -1.31 -1.44 1.09 -1.26 -4.91 121.20 116.41 2kpj s ILE 76 Ca 0.00 1.18 -0.18 0.00 -1.10 0.00 0.00 60.65 60.55 2kpj s ILE 76 Cb 0.00 -3.75 0.04 0.00 -1.06 0.00 0.00 42.46 37.69 2kpj s ILE 76 CO 0.00 0.23 1.88 0.47 -0.10 0.00 0.00 174.94 177.42 2kpj n ASP 77 N 1.87 4.42 -2.35 3.58 8.00 -1.26 -4.87 116.55 125.94 2kpj n ASP 77 Ca 0.02 -2.87 -0.07 0.00 0.71 0.00 0.00 54.79 52.58 2kpj n ASP 77 Cb 0.44 -1.70 -0.02 0.00 -0.02 0.00 0.00 41.12 39.81 2kpj n ASP 77 CO 0.00 0.00 0.00 1.07 -0.39 0.00 0.00 177.20 177.88 2kpj n THR 78 N 6.22 0.00 -3.56 -3.53 5.66 -1.26 -5.10 114.28 112.71 2kpj n THR 78 Ca 0.49 -0.63 -0.40 0.00 -3.05 0.00 0.00 64.05 60.46 2kpj n THR 78 Cb 0.44 0.19 -0.06 0.00 -1.55 0.00 0.00 70.33 69.35 2kpj n THR 78 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 2kpj s VAL 79 N -1.76 4.57 -0.38 1.08 0.11 -1.26 -5.05 120.40 117.72 2kpj s VAL 79 Ca 0.03 -2.98 -0.28 0.00 -2.93 0.00 0.00 61.98 55.83 2kpj s VAL 79 Cb 0.00 -3.88 -0.03 0.00 -1.53 0.00 0.00 36.38 30.94 2kpj s VAL 79 CO 0.02 -0.98 1.92 -2.84 -3.33 0.00 0.00 175.10 169.89 2kpj s PRO 80 N -0.27 3.07 -0.20 1.54 0.02 -1.26 -4.97 135.00 132.93 2kpj s PRO 80 Ca 0.20 1.35 -0.22 0.00 0.02 0.00 0.00 61.00 62.35 2kpj s PRO 80 Cb -0.14 -4.29 -0.02 0.00 0.02 0.00 0.00 34.50 30.06 2kpj s PRO 80 CO -0.07 -2.18 0.67 -1.50 -0.33 0.00 0.00 177.00 173.59 2kpj s ILE 81 N 7.95 4.99 -0.09 2.83 2.07 -1.26 -5.04 121.20 132.66 2kpj s ILE 81 Ca 0.82 1.27 -0.04 0.00 -1.41 0.00 0.00 60.65 61.29 2kpj s ILE 81 Cb -0.21 -3.98 0.05 0.00 0.13 0.00 0.00 42.46 38.44 2kpj s ILE 81 CO 0.31 0.09 0.18 -1.61 -1.91 0.00 0.00 174.94 172.00 2kpj s GLU 82 N 1.99 0.08 -0.40 3.50 2.02 -1.26 -5.11 118.70 119.52 2kpj s GLU 82 Ca 0.30 0.56 -0.29 0.00 0.02 0.00 0.00 54.97 55.57 2kpj s GLU 82 Cb -0.16 -0.20 0.02 0.00 0.10 0.00 0.00 34.13 33.89 2kpj s GLU 82 CO 0.11 -0.27 1.08 -1.54 0.02 0.00 0.00 175.26 174.66 2kpj s SER 83 N 2.04 6.76 0.00 -0.19 1.04 -1.26 -4.91 113.70 117.18 2kpj s SER 83 Ca -0.00 0.71 0.26 0.00 0.48 0.00 0.00 55.95 57.40 2kpj s SER 83 Cb -0.12 -2.53 1.30 0.00 0.10 0.00 0.00 66.02 64.76 2kpj s SER 83 CO -0.06 -1.05 1.88 0.61 0.98 0.00 0.00 173.24 175.60 2kpj n GLY 84 N 4.39 -1.19 7.00 7.32 0.00 -1.26 -5.00 105.19 116.46 2kpj n GLY 84 Ca 0.11 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.01 2kpj n GLY 84 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2kpj n TYR 85 N -1.32 -1.20 1.18 1.61 4.01 -1.26 -2.56 117.16 117.62 2kpj n TYR 85 Ca 0.12 0.00 0.03 0.00 -0.16 0.00 0.00 57.90 57.88 2kpj n TYR 85 Cb 0.22 0.22 0.09 0.00 -0.31 0.00 0.00 39.34 39.56 2kpj n TYR 85 CO 0.00 0.00 0.00 2.41 -0.46 0.00 0.00 176.86 178.81 2kpj n THR 86 N -0.44 0.37 -4.79 -0.72 -1.04 -1.26 -5.03 114.28 101.38 2kpj n THR 86 Ca 0.00 -0.29 0.00 0.00 -2.04 0.00 0.00 64.05 61.72 2kpj n THR 86 Cb 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 2kpj n THR 86 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 2kpj n LEU 87 N 0.10 0.00 0.08 -4.42 4.77 -1.06 -3.91 117.00 112.55 2kpj n LEU 87 Ca 0.07 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.91 2kpj n LEU 87 Cb 0.24 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.27 2kpj n LEU 87 CO 0.05 -0.48 0.13 -0.33 -1.33 0.00 0.00 177.39 175.44 2kpj h GLU 88 N 0.00 0.34 -2.36 3.23 3.07 -1.96 -3.47 114.58 113.44 2kpj h GLU 88 Ca 0.00 -0.42 -0.41 0.00 -0.50 0.00 0.00 59.36 58.03 2kpj h GLU 88 Cb 0.00 0.13 -0.07 0.00 -0.84 0.00 0.00 28.75 27.97 2kpj h GLU 88 CO 0.00 1.11 -0.47 1.58 -1.40 0.00 0.00 179.01 179.83 2kpj n HIS 89 N -3.68 -0.68 -3.29 4.33 -0.00 -1.25 -4.92 115.22 105.72 2kpj n HIS 89 Ca -0.07 0.00 -0.43 0.00 0.46 0.00 0.00 57.72 57.68 2kpj n HIS 89 Cb 0.88 -3.74 -0.08 0.00 -0.12 0.00 0.00 29.99 26.93 2kpj n HIS 89 CO 0.00 0.00 0.00 -1.58 0.46 0.00 0.00 176.34 175.22 2kpj s HIS 90 N -2.92 3.15 0.04 1.57 5.04 -1.26 -5.03 115.29 115.88 2kpj s HIS 90 Ca 0.00 -0.40 0.03 0.00 -1.54 0.00 0.00 55.06 53.15 2kpj s HIS 90 Cb 0.00 -3.02 -0.02 0.00 0.04 0.00 0.00 32.58 29.58 2kpj s HIS 90 CO 0.00 -0.76 -0.10 -3.38 -2.34 0.00 0.00 174.74 168.16 2kpj s HIS 91 N 2.22 0.90 -0.11 3.88 -3.43 -1.26 -5.15 115.29 112.33 2kpj s HIS 91 Ca 0.13 -0.39 -0.04 0.00 -0.80 0.00 0.00 55.06 53.96 2kpj s HIS 91 Cb -0.17 -0.53 -0.04 0.00 -1.43 0.00 0.00 32.58 30.41 2kpj s HIS 91 CO 0.13 -0.01 0.03 -3.38 -2.00 0.00 0.00 174.74 169.51 2kpj s HIS 92 N -1.01 3.23 -0.50 0.38 -3.43 -1.26 -4.98 115.29 107.72 2kpj s HIS 92 Ca -0.03 0.18 0.25 0.00 -0.80 0.00 0.00 55.06 54.66 2kpj s HIS 92 Cb -0.08 -1.88 0.61 0.00 -1.43 0.00 0.00 32.58 29.81 2kpj s HIS 92 CO 0.01 0.42 1.70 1.25 -2.00 0.00 0.00 174.74 176.12 2kpj h HIS 93 N 5.52 0.00 0.00 0.38 2.76 -2.05 -3.57 115.15 118.19 2kpj h HIS 93 Ca -0.47 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 57.70 2kpj h HIS 93 Cb 1.19 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.15 2kpj h HIS 93 CO 0.63 0.00 0.00 0.72 -1.30 0.00 0.00 177.93 177.98