#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 4.25 -0.12 1.12 1.01 -1.26 -4.78 120.40 120.62 2kpj s VAL 2 Ca 0.00 -0.62 -0.05 0.00 0.00 0.00 0.00 61.98 61.31 2kpj s VAL 2 Cb 0.00 -4.82 -0.25 0.00 0.00 0.00 0.00 36.38 31.30 2kpj s VAL 2 CO 0.00 -1.63 0.34 1.17 0.00 0.00 0.00 175.10 174.98 2kpj n LYS 3 N 7.92 0.75 -1.53 2.72 3.00 -1.26 -5.09 118.16 124.67 2kpj n LYS 3 Ca 0.11 0.26 0.00 0.00 -0.00 0.00 0.00 58.31 58.68 2kpj n LYS 3 Cb 0.48 -1.70 0.00 0.00 0.00 0.00 0.00 35.03 33.81 2kpj n LYS 3 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 2kpj n ASP 4 N -3.44 -5.29 0.01 3.14 -0.08 -1.26 -4.77 116.55 104.87 2kpj n ASP 4 Ca -0.32 0.79 -0.06 0.00 -1.51 0.00 0.00 54.79 53.69 2kpj n ASP 4 Cb 1.05 -2.84 0.14 0.00 2.34 0.00 0.00 41.12 41.81 2kpj n ASP 4 CO 0.00 0.00 0.00 0.11 0.12 0.00 0.00 177.20 177.43 2kpj h LYS 5 N 1.87 0.49 -0.34 -0.67 1.57 -2.00 -2.97 116.57 114.52 2kpj h LYS 5 Ca 0.00 -0.24 -0.05 0.00 -1.87 0.00 0.00 60.65 58.49 2kpj h LYS 5 Cb 0.00 -0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.29 2kpj h LYS 5 CO 0.00 0.80 -0.02 1.96 -0.57 0.00 0.00 179.45 181.62 2kpj h GLN 6 N 0.41 0.54 -0.54 3.15 7.50 -1.91 -0.82 115.11 123.44 2kpj h GLN 6 Ca 0.04 -0.12 -0.05 0.00 0.50 0.00 0.00 58.65 59.02 2kpj h GLN 6 Cb 0.86 -0.07 -0.03 0.00 0.05 0.00 0.00 27.48 28.29 2kpj h GLN 6 CO 0.07 0.58 0.15 -0.22 -1.50 0.00 0.00 178.83 177.91 2kpj h LYS 7 N 0.52 0.81 -0.03 1.46 3.64 -1.82 0.24 116.57 121.39 2kpj h LYS 7 Ca 0.11 -0.15 -0.18 0.00 -1.27 0.00 0.00 60.65 59.15 2kpj h LYS 7 Cb 0.36 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 32.04 2kpj h LYS 7 CO 0.01 0.72 -0.77 0.00 -2.27 0.00 0.00 179.45 177.14 2kpj h ALA 8 N 1.37 0.64 -0.16 5.00 0.00 -1.24 -2.28 119.26 122.59 2kpj h ALA 8 Ca 0.18 -0.65 -0.14 0.00 0.00 0.00 0.00 54.91 54.30 2kpj h ALA 8 Cb 0.26 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.98 2kpj h ALA 8 CO -0.01 0.83 -0.44 0.82 0.00 0.00 0.00 179.25 180.46 2kpj h ILE 9 N 0.15 1.34 0.15 0.00 2.04 -0.85 -2.35 117.51 118.00 2kpj h ILE 9 Ca -0.03 -1.70 0.02 0.00 1.00 0.00 0.00 64.86 64.15 2kpj h ILE 9 Cb 1.35 1.99 -0.04 0.00 -0.74 0.00 0.00 36.82 39.38 2kpj h ILE 9 CO 0.12 0.52 -0.41 0.15 0.00 0.00 0.00 178.15 178.53 2kpj h PHE 10 N 0.22 -1.14 -0.25 1.37 3.57 -0.50 0.36 116.94 120.57 2kpj h PHE 10 Ca -0.01 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.50 2kpj h PHE 10 Cb 1.05 0.48 -0.01 0.00 2.79 0.00 0.00 35.95 40.26 2kpj h PHE 10 CO 0.10 -0.51 0.10 0.66 -2.23 0.00 0.00 178.31 176.43 2kpj h SER 11 N -0.66 0.34 -0.18 0.41 4.64 -1.49 0.88 113.55 117.49 2kpj h SER 11 Ca 0.02 -0.16 0.01 0.00 -0.47 0.00 0.00 61.79 61.18 2kpj h SER 11 Cb 0.68 -0.09 -0.01 0.00 -0.31 0.00 0.00 62.40 62.66 2kpj h SER 11 CO -0.22 0.41 0.09 -0.08 -0.87 0.00 0.00 176.83 176.16 2kpj h GLU 12 N 0.25 0.19 -0.22 4.77 4.57 -1.29 0.25 114.58 123.09 2kpj h GLU 12 Ca 0.08 -0.01 -0.20 0.00 -1.18 0.00 0.00 59.36 58.05 2kpj h GLU 12 Cb 0.17 -0.04 0.01 0.00 -0.16 0.00 0.00 28.75 28.73 2kpj h GLU 12 CO -0.01 0.12 -0.66 -0.97 -1.18 0.00 0.00 179.01 176.32 2kpj h ASN 13 N 0.19 0.96 -0.11 1.04 -1.24 -0.84 -2.66 115.58 112.93 2kpj h ASN 13 Ca 0.07 -0.58 0.00 0.00 0.71 0.00 0.00 56.30 56.50 2kpj h ASN 13 Cb 0.01 -0.28 -0.01 0.00 0.73 0.00 0.00 38.32 38.78 2kpj h ASN 13 CO -0.04 1.37 0.07 0.25 -1.29 0.00 0.00 177.43 177.79 2kpj h LEU 14 N 0.59 0.13 -1.43 0.34 5.85 -0.69 -2.35 115.31 117.75 2kpj h LEU 14 Ca -0.02 -0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.68 2kpj h LEU 14 Cb 1.28 -0.03 -0.03 0.00 0.37 0.00 0.00 40.66 42.25 2kpj h LEU 14 CO 0.14 0.12 0.36 -1.13 -0.34 0.00 0.00 178.44 177.59 2kpj h ASN 15 N 0.13 0.65 -0.54 1.25 -0.73 -0.95 -0.98 115.58 114.41 2kpj h ASN 15 Ca 0.04 -0.02 -0.02 0.00 1.87 0.00 0.00 56.30 58.17 2kpj h ASN 15 Cb 0.01 -0.16 -0.03 0.00 0.27 0.00 0.00 38.32 38.41 2kpj h ASN 15 CO -0.01 0.48 0.27 0.28 -0.37 0.00 0.00 177.43 178.09 2kpj h SER 16 N 0.76 0.70 -0.36 1.15 0.02 -1.10 -0.34 113.55 114.38 2kpj h SER 16 Ca 0.20 -0.12 -0.10 0.00 -0.84 0.00 0.00 61.79 60.94 2kpj h SER 16 Cb -0.07 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 62.27 2kpj h SER 16 CO -0.04 0.62 -0.14 1.88 -1.14 0.00 0.00 176.83 178.00 2kpj h TYR 17 N 0.73 0.90 -0.49 3.45 0.05 -0.78 -1.33 116.97 119.50 2kpj h TYR 17 Ca 0.19 -0.18 0.00 0.00 0.05 0.00 0.00 58.73 58.79 2kpj h TYR 17 Cb 0.09 -0.23 -0.02 0.00 1.01 0.00 0.00 36.73 37.58 2kpj h TYR 17 CO -0.01 0.90 0.31 0.82 -1.05 0.00 0.00 178.16 179.13 2kpj h ILE 18 N 0.73 1.14 -0.88 -2.88 2.04 -0.85 -1.64 117.51 115.17 2kpj h ILE 18 Ca 0.12 -0.28 -0.03 0.00 1.00 0.00 0.00 64.86 65.67 2kpj h ILE 18 Cb 0.64 0.45 -0.04 0.00 -0.74 0.00 0.00 36.82 37.13 2kpj h ILE 18 CO 0.04 0.13 0.45 0.00 0.00 0.00 0.00 178.15 178.78 2kpj h ALA 19 N 1.16 1.13 -0.83 1.87 0.00 -0.79 -2.00 119.26 119.80 2kpj h ALA 19 Ca 0.18 -0.15 0.02 0.00 0.00 0.00 0.00 54.91 54.96 2kpj h ALA 19 Cb -0.05 -0.35 -0.04 0.00 0.00 0.00 0.00 17.79 17.35 2kpj h ALA 19 CO -0.04 0.66 0.55 0.87 0.00 0.00 0.00 179.25 181.30 2kpj h LYS 20 N 1.24 1.06 0.00 0.00 1.57 -0.82 -2.24 116.57 117.37 2kpj h LYS 20 Ca 0.30 -0.06 -0.02 0.00 -1.87 0.00 0.00 60.65 59.00 2kpj h LYS 20 Cb 0.08 -0.24 -0.00 0.00 0.08 0.00 0.00 32.23 32.14 2kpj h LYS 20 CO -0.04 0.70 -0.12 1.03 -0.57 0.00 0.00 179.45 180.45 2kpj h SER 21 N 1.09 0.00 -5.93 0.86 0.87 -0.57 -3.47 113.55 106.40 2kpj h SER 21 Ca 0.32 0.00 -0.41 0.00 -1.23 0.00 0.00 61.79 60.47 2kpj h SER 21 Cb -0.06 0.00 0.10 0.00 -0.44 0.00 0.00 62.40 62.00 2kpj h SER 21 CO -0.08 0.12 -0.72 1.21 -0.53 0.00 0.00 176.83 176.83 2kpj n GLU 22 N -3.23 -7.10 -4.45 2.24 4.07 -0.84 -4.99 120.64 106.33 2kpj n GLU 22 Ca 0.01 0.77 -0.23 0.00 -0.06 0.00 0.00 57.16 57.65 2kpj n GLU 22 Cb 0.40 -5.76 -0.10 0.00 -0.06 0.00 0.00 31.44 25.92 2kpj n GLU 22 CO 0.00 0.00 0.00 0.21 -0.06 0.00 0.00 177.13 177.28 2kpj s LYS 23 N -6.22 1.62 0.19 5.31 2.20 -1.25 -5.11 119.74 116.48 2kpj s LYS 23 Ca 0.48 -1.75 -0.17 0.00 -0.36 0.00 0.00 55.97 54.18 2kpj s LYS 23 Cb -0.22 -1.63 -0.08 0.00 -1.51 0.00 0.00 37.83 34.39 2kpj s LYS 23 CO 0.76 0.28 0.63 0.95 -0.36 0.00 0.00 175.35 177.61 2kpj s THR 24 N -2.62 4.73 0.30 3.43 -4.23 -1.26 -4.89 115.64 111.10 2kpj s THR 24 Ca 0.29 1.03 -0.01 0.00 -1.18 0.00 0.00 61.69 61.81 2kpj s THR 24 Cb -0.03 -3.78 0.22 0.00 1.34 0.00 0.00 72.50 70.24 2kpj s THR 24 CO 0.14 0.21 1.92 1.56 -0.54 0.00 0.00 174.62 177.90 2kpj h GLN 25 N 3.43 0.95 -0.66 3.99 7.50 -1.99 -1.96 115.11 126.37 2kpj h GLN 25 Ca -0.48 -0.11 0.01 0.00 0.50 0.00 0.00 58.65 58.57 2kpj h GLN 25 Cb 1.19 -0.19 -0.03 0.00 0.05 0.00 0.00 27.48 28.50 2kpj h GLN 25 CO 0.66 0.71 0.43 1.25 -1.50 0.00 0.00 178.83 180.38 2kpj h LEU 26 N 0.96 0.74 -0.56 1.46 6.46 -1.93 -0.29 115.31 122.16 2kpj h LEU 26 Ca 0.24 -0.02 -0.05 0.00 -0.12 0.00 0.00 57.88 57.94 2kpj h LEU 26 Cb 0.04 -0.18 -0.02 0.00 -0.73 0.00 0.00 40.66 39.77 2kpj h LEU 26 CO -0.04 0.53 0.16 -0.08 -0.62 0.00 0.00 178.44 178.39 2kpj h GLU 27 N 0.88 0.88 -0.37 1.25 4.81 -1.78 -1.62 114.58 118.63 2kpj h GLU 27 Ca 0.24 -0.20 -0.02 0.00 -0.13 0.00 0.00 59.36 59.25 2kpj h GLU 27 Cb -0.08 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.16 2kpj h GLU 27 CO -0.06 0.81 0.14 0.82 -0.73 0.00 0.00 179.01 179.98 2kpj h ILE 28 N 0.78 1.20 -0.93 2.32 2.04 -1.03 -1.67 117.51 120.22 2kpj h ILE 28 Ca 0.18 -0.63 0.05 0.00 1.00 0.00 0.00 64.86 65.46 2kpj h ILE 28 Cb 0.31 0.92 -0.06 0.00 -0.74 0.00 0.00 36.82 37.25 2kpj h ILE 28 CO -0.00 0.22 0.61 0.00 0.00 0.00 0.00 178.15 178.97 2kpj h ALA 29 N 0.98 1.44 -0.28 1.87 0.00 -0.83 0.90 119.26 123.34 2kpj h ALA 29 Ca 0.12 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.92 2kpj h ALA 29 Cb 0.21 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 2kpj h ALA 29 CO -0.01 0.45 -0.15 0.87 0.00 0.00 0.00 179.25 180.41 2kpj h LYS 30 N 1.12 0.49 -0.00 0.00 1.79 -0.94 0.16 116.57 119.19 2kpj h LYS 30 Ca 0.38 -0.15 -0.19 0.00 -2.18 0.00 0.00 60.65 58.51 2kpj h LYS 30 Cb 0.09 -0.05 -0.01 0.00 -1.58 0.00 0.00 32.23 30.68 2kpj h LYS 30 CO -0.13 0.63 -0.84 0.77 -1.08 0.00 0.00 179.45 178.81 2kpj h SER 31 N 0.45 0.21 0.06 0.86 0.02 -0.19 -3.29 113.55 111.68 2kpj h SER 31 Ca 0.08 -0.17 -0.17 0.00 -0.84 0.00 0.00 61.79 60.69 2kpj h SER 31 Cb 0.53 -0.07 0.02 0.00 0.14 0.00 0.00 62.40 63.02 2kpj h SER 31 CO 0.03 0.95 -0.70 0.40 -1.14 0.00 0.00 176.83 176.38 2kpj h ILE 32 N 0.10 1.46 0.00 3.27 1.08 -0.64 -3.49 117.51 119.29 2kpj h ILE 32 Ca -0.03 -2.27 0.00 0.00 -0.39 0.00 0.00 64.86 62.17 2kpj h ILE 32 Cb 1.45 2.84 0.00 0.00 -3.07 0.00 0.00 36.82 38.04 2kpj h ILE 32 CO 0.12 0.65 0.00 0.61 -0.69 0.00 0.00 178.15 178.85 2kpj n GLY 33 N 1.31 1.83 3.37 5.37 0.00 0.47 -5.07 105.19 112.47 2kpj n GLY 33 Ca -0.12 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.72 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 1.08 0.48 1.61 -7.23 -0.65 -5.04 120.40 108.65 2kpj s VAL 34 Ca 0.00 -2.03 -0.21 0.00 -1.81 0.00 0.00 61.98 57.93 2kpj s VAL 34 Cb 0.00 -2.52 -0.08 0.00 0.56 0.00 0.00 36.38 34.35 2kpj s VAL 34 CO 0.00 -0.19 1.08 -0.44 -0.31 0.00 0.00 175.10 175.24 2kpj s SER 35 N -3.37 6.25 0.55 4.85 0.01 -1.26 -4.30 113.70 116.43 2kpj s SER 35 Ca 0.32 2.07 0.22 0.00 1.31 0.00 0.00 55.95 59.87 2kpj s SER 35 Cb 0.07 -2.58 1.45 0.00 0.21 0.00 0.00 66.02 65.17 2kpj s SER 35 CO 0.12 -0.85 2.13 -0.65 0.41 0.00 0.00 173.24 174.40 2kpj h PRO 36 N 1.75 0.00 -0.25 12.44 0.11 -1.91 0.36 132.00 144.50 2kpj h PRO 36 Ca -0.49 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 65.50 2kpj h PRO 36 Cb 1.23 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.33 2kpj h PRO 36 CO 0.59 0.00 -0.34 1.96 -0.21 0.00 0.00 178.00 180.00 2kpj h GLN 37 N 0.00 0.54 -0.23 1.05 4.20 -1.98 0.47 115.11 119.16 2kpj h GLN 37 Ca 0.06 -0.25 -0.14 0.00 0.06 0.00 0.00 58.65 58.38 2kpj h GLN 37 Cb 0.26 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.02 2kpj h GLN 37 CO -0.00 0.81 -0.45 1.15 -0.67 0.00 0.00 178.83 179.68 2kpj h THR 38 N 0.46 1.30 -0.14 -0.54 2.02 -1.31 -0.58 112.91 114.12 2kpj h THR 38 Ca 0.05 -1.64 -0.15 0.00 0.77 0.00 0.00 66.41 65.45 2kpj h THR 38 Cb 0.82 1.61 -0.01 0.00 -1.74 0.00 0.00 68.15 68.82 2kpj h THR 38 CO 0.07 0.52 -0.54 0.15 0.37 0.00 0.00 175.52 176.09 2kpj h PHE 39 N 0.48 0.51 -0.71 3.16 3.57 -1.25 -3.11 116.94 119.58 2kpj h PHE 39 Ca 0.03 -0.18 -0.05 0.00 3.53 0.00 0.00 57.97 61.31 2kpj h PHE 39 Cb 0.97 -0.10 -0.03 0.00 2.79 0.00 0.00 35.95 39.58 2kpj h PHE 39 CO 0.04 0.86 0.26 -0.97 -2.23 0.00 0.00 178.31 176.27 2kpj h ASN 40 N 0.32 1.01 0.46 0.41 -0.73 -0.26 -0.48 115.58 116.31 2kpj h ASN 40 Ca 0.01 -0.19 -0.02 0.00 1.87 0.00 0.00 56.30 57.97 2kpj h ASN 40 Cb 1.05 -0.26 -0.00 0.00 0.27 0.00 0.00 38.32 39.37 2kpj h ASN 40 CO 0.09 0.92 -0.08 0.71 -0.37 0.00 0.00 177.43 178.71 2kpj h THR 41 N 1.04 0.34 0.17 -3.57 1.35 -1.06 0.25 112.91 111.43 2kpj h THR 41 Ca 0.24 -0.45 -0.33 0.00 -0.55 0.00 0.00 66.41 65.31 2kpj h THR 41 Cb 0.25 1.33 0.01 0.00 -1.73 0.00 0.00 68.15 68.01 2kpj h THR 41 CO -0.01 0.08 -1.58 -0.50 -0.25 0.00 0.00 175.52 173.25 2kpj h TRP 42 N 0.00 0.66 -0.51 4.73 6.55 -1.37 0.20 115.95 126.20 2kpj h TRP 42 Ca -0.00 -0.48 -0.07 0.00 0.95 0.00 0.00 58.89 59.29 2kpj h TRP 42 Cb 0.33 -0.03 -0.02 0.00 -0.86 0.00 0.00 29.16 28.58 2kpj h TRP 42 CO 0.00 1.51 0.04 0.00 -1.05 0.00 0.00 178.44 178.94 2kpj n LYS 44 N -4.23 0.57 -3.56 0.00 4.76 0.79 -4.87 118.16 111.63 2kpj n LYS 44 Ca 0.03 -0.05 -0.22 0.00 -2.87 0.00 0.00 58.31 55.20 2kpj n LYS 44 Cb 0.28 -1.50 0.08 0.00 -1.84 0.00 0.00 35.03 32.05 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 1.24 -0.46 0.14 0.72 0.00 -0.64 -4.93 105.19 101.27 2kpj n GLY 45 Ca 0.16 0.19 -0.22 0.00 0.00 0.00 0.00 46.02 46.15 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 -2.32 0.71 -3.33 -0.61 2.04 -0.84 -3.45 117.51 109.71 2kpj h ILE 46 Ca -0.58 -2.36 -0.14 0.00 1.00 0.00 0.00 64.86 62.78 2kpj h ILE 46 Cb 1.36 2.53 -0.21 0.00 -0.74 0.00 0.00 36.82 39.76 2kpj h ILE 46 CO 0.54 0.84 -0.42 0.00 0.00 0.00 0.00 178.15 179.11 2kpj s ALA 47 N -2.54 -0.49 -0.22 1.87 0.00 -1.15 -5.07 121.76 114.17 2kpj s ALA 47 Ca -0.22 0.11 -0.15 0.00 0.00 0.00 0.00 51.96 51.70 2kpj s ALA 47 Cb 0.06 0.03 -0.04 0.00 0.00 0.00 0.00 23.12 23.17 2kpj s ALA 47 CO 0.77 -0.21 0.35 0.42 0.00 0.00 0.00 175.76 177.09 2kpj s ILE 48 N -1.14 5.23 0.70 0.00 1.01 -1.26 -4.43 121.20 121.30 2kpj s ILE 48 Ca -0.12 0.59 -0.14 0.00 0.00 0.00 0.00 60.65 60.98 2kpj s ILE 48 Cb -0.06 -3.68 0.02 0.00 0.01 0.00 0.00 42.46 38.75 2kpj s ILE 48 CO 0.02 0.26 1.13 -2.16 0.00 0.00 0.00 174.94 174.19 2kpj s PRO 49 N 1.34 2.52 0.59 2.79 0.04 -1.26 -5.00 135.00 136.01 2kpj s PRO 49 Ca 0.16 1.46 -0.18 0.00 0.04 0.00 0.00 61.00 62.48 2kpj s PRO 49 Cb -0.15 -1.91 -0.04 0.00 0.04 0.00 0.00 34.50 32.45 2kpj s PRO 49 CO 0.07 -1.48 1.16 0.50 0.04 0.00 0.00 177.00 177.30 2kpj s ARG 50 N -4.16 3.05 0.45 4.56 3.52 -1.26 -4.75 118.95 120.36 2kpj s ARG 50 Ca 0.68 1.68 0.21 0.00 -0.13 0.00 0.00 55.73 58.17 2kpj s ARG 50 Cb -0.22 -1.96 1.18 0.00 -1.56 0.00 0.00 34.95 32.39 2kpj s ARG 50 CO 0.45 -1.11 1.86 1.98 -0.81 0.00 0.00 175.30 177.67 2kpj h MET 51 N 0.83 0.30 -0.77 5.12 1.85 -1.98 0.97 114.93 121.25 2kpj h MET 51 Ca -0.50 -0.02 0.03 0.00 -0.61 0.00 0.00 59.70 58.60 2kpj h MET 51 Cb 1.28 -0.07 -0.04 0.00 0.43 0.00 0.00 31.60 33.20 2kpj h MET 51 CO 0.55 0.20 0.51 0.78 -0.40 0.00 0.00 176.91 178.55 2kpj h GLY 52 N 0.31 1.07 1.97 1.39 0.00 -2.00 0.10 103.07 105.92 2kpj h GLY 52 Ca 0.46 -0.38 -0.18 0.00 0.00 0.00 0.00 47.33 47.23 2kpj h GLY 52 CO -0.14 0.34 -0.89 0.50 0.00 0.00 0.00 176.54 176.35 2kpj h LYS 53 N 0.97 0.00 -0.34 4.80 6.56 -1.18 -3.13 116.57 124.24 2kpj h LYS 53 Ca 0.30 0.00 -0.05 0.00 -1.06 0.00 0.00 60.65 59.84 2kpj h LYS 53 Cb 0.00 0.00 -0.02 0.00 -0.57 0.00 0.00 32.23 31.64 2kpj h LYS 53 CO -0.08 0.86 0.01 0.28 -2.06 0.00 0.00 179.45 178.46 2kpj h VAL 54 N 0.00 1.19 -0.38 0.50 2.07 -0.57 -2.54 116.25 116.52 2kpj h VAL 54 Ca -0.02 -0.76 0.06 0.00 0.82 0.00 0.00 66.70 66.81 2kpj h VAL 54 Cb 1.68 0.92 -0.06 0.00 -1.52 0.00 0.00 31.29 32.32 2kpj h VAL 54 CO 0.11 0.26 0.04 1.56 0.02 0.00 0.00 177.57 179.57 2kpj h GLN 55 N 0.51 0.15 -0.68 1.57 1.08 -0.78 0.14 115.11 117.10 2kpj h GLN 55 Ca 0.11 -0.01 -0.04 0.00 -1.45 0.00 0.00 58.65 57.26 2kpj h GLN 55 Cb 0.31 -0.03 -0.03 0.00 -0.05 0.00 0.00 27.48 27.68 2kpj h GLN 55 CO 0.01 0.10 0.26 0.00 -0.95 0.00 0.00 178.83 178.25 2kpj h ALA 56 N 1.31 0.89 0.08 3.87 0.00 -1.54 0.14 119.26 124.00 2kpj h ALA 56 Ca 0.18 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 2kpj h ALA 56 Cb 0.24 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.76 2kpj h ALA 56 CO -0.27 0.52 -0.04 -0.07 0.00 0.00 0.00 179.25 179.40 2kpj h LEU 57 N 0.97 -0.09 -0.95 0.00 3.38 -1.03 0.03 115.31 117.62 2kpj h LEU 57 Ca 0.22 -0.11 -0.03 0.00 0.09 0.00 0.00 57.88 58.05 2kpj h LEU 57 Cb 0.23 0.02 -0.04 0.00 0.09 0.00 0.00 40.66 40.97 2kpj h LEU 57 CO -0.02 0.06 0.36 0.00 0.09 0.00 0.00 178.44 178.93 2kpj h ALA 58 N 0.69 1.18 -0.37 1.53 0.00 -0.54 -2.32 119.26 119.43 2kpj h ALA 58 Ca -0.01 -0.16 -0.06 0.00 0.00 0.00 0.00 54.91 54.68 2kpj h ALA 58 Cb 0.19 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 2kpj h ALA 58 CO 0.02 0.62 -0.00 0.22 0.00 0.00 0.00 179.25 180.10 2kpj h ASP 59 N 1.10 0.64 -0.68 0.00 3.58 -0.56 0.28 116.42 120.78 2kpj h ASP 59 Ca 0.26 -0.31 -0.02 0.00 0.42 0.00 0.00 57.03 57.38 2kpj h ASP 59 Cb 0.13 -0.17 -0.03 0.00 1.72 0.00 0.00 39.33 40.97 2kpj h ASP 59 CO -0.03 0.80 0.34 0.22 -2.88 0.00 0.00 179.24 177.68 2kpj h TYR 60 N 0.47 0.99 -0.01 0.28 3.20 -0.70 -1.35 116.97 119.85 2kpj h TYR 60 Ca 0.10 -0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.94 2kpj h TYR 60 Cb 0.47 -0.31 0.00 0.00 1.54 0.00 0.00 36.73 38.43 2kpj h TYR 60 CO 0.04 0.72 -0.21 1.19 -1.64 0.00 0.00 178.16 178.26 2kpj n PHE 61 N -4.34 0.00 -3.20 -3.82 3.72 -0.90 -4.94 117.46 103.99 2kpj n PHE 61 Ca 0.07 0.00 -0.23 0.00 -0.05 0.00 0.00 57.45 57.23 2kpj n PHE 61 Cb 0.13 -0.08 0.04 0.00 -0.94 0.00 0.00 39.48 38.63 2kpj n PHE 61 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 2kpj n ASN 62 N -0.32 -5.76 -4.03 4.37 3.02 0.32 -4.99 115.26 107.87 2kpj n ASN 62 Ca 0.14 -0.36 -0.21 0.00 -0.03 0.00 0.00 54.58 54.11 2kpj n ASN 62 Cb 0.37 -4.64 -0.02 0.00 -0.61 0.00 0.00 39.78 34.89 2kpj n ASN 62 CO 0.00 0.00 0.00 2.30 -2.62 0.00 0.00 177.26 176.94 2kpj n ILE 63 N -4.52 0.00 -3.43 2.41 -5.35 0.73 -5.00 119.36 104.21 2kpj n ILE 63 Ca -0.07 -1.65 -0.30 0.00 -0.27 0.00 0.00 62.75 60.46 2kpj n ILE 63 Cb 0.60 0.02 -0.04 0.00 -1.74 0.00 0.00 39.64 38.47 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 -3.25 6.51 0.42 7.28 0.01 -1.26 -4.48 114.94 120.18 2kpj s ASN 64 Ca 0.15 0.76 0.14 0.00 -0.71 0.00 0.00 52.86 53.20 2kpj s ASN 64 Cb -0.01 -2.16 0.90 0.00 0.41 0.00 0.00 41.25 40.39 2kpj s ASN 64 CO 0.10 -0.11 1.93 0.07 -1.51 0.00 0.00 177.10 177.58 2kpj h LYS 65 N 2.18 0.00 0.00 -0.60 2.10 -1.92 -2.04 116.57 116.30 2kpj h LYS 65 Ca -0.47 -0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.18 2kpj h LYS 65 Cb 1.18 -0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.51 2kpj h LYS 65 CO 0.68 0.25 0.00 0.77 -2.00 0.00 0.00 179.45 179.15 2kpj h SER 66 N 0.00 0.00 0.15 7.07 0.02 -1.94 -1.66 113.55 117.19 2kpj h SER 66 Ca -0.00 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.92 2kpj h SER 66 Cb 0.44 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.97 2kpj h SER 66 CO 0.03 0.00 -0.15 0.44 -1.14 0.00 0.00 176.83 176.01 2kpj h ASP 67 N 0.00 0.00 0.66 3.07 5.19 -1.76 0.02 116.42 123.60 2kpj h ASP 67 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 2kpj h ASP 67 Cb 0.31 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.82 2kpj h ASP 67 CO 0.00 0.15 -1.33 0.18 -3.12 0.00 0.00 179.24 175.12 2kpj n LEU 68 N -4.34 0.57 -0.98 1.55 4.77 -0.65 -4.17 117.00 113.75 2kpj n LEU 68 Ca -0.03 0.21 0.09 0.00 -0.03 0.00 0.00 56.01 56.26 2kpj n LEU 68 Cb 0.22 -0.04 0.22 0.00 -2.33 0.00 0.00 43.42 41.48 2kpj n LEU 68 CO 0.36 -0.12 0.68 -0.38 -1.33 0.00 0.00 177.39 176.59 2kpj n ILE 69 N -2.53 0.81 -1.43 -0.08 5.41 -0.87 -3.66 119.36 117.01 2kpj n ILE 69 Ca -0.01 -0.91 -0.38 0.00 1.00 0.00 0.00 62.75 62.45 2kpj n ILE 69 Cb 0.55 0.67 0.04 0.00 -0.71 0.00 0.00 39.64 40.19 2kpj n ILE 69 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 2kpj n GLU 70 N 1.13 0.45 -3.82 0.38 1.02 -0.06 -5.00 120.64 114.74 2kpj n GLU 70 Ca 0.17 0.18 -0.13 0.00 -0.02 0.00 0.00 57.16 57.36 2kpj n GLU 70 Cb 0.52 -1.66 -0.14 0.00 -0.02 0.00 0.00 31.44 30.14 2kpj n GLU 70 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 2kpj s ASP 71 N -1.19 -0.07 -0.10 1.62 -1.08 -1.26 -4.82 116.67 109.77 2kpj s ASP 71 Ca 0.67 0.17 0.14 0.00 -0.52 0.00 0.00 52.55 53.02 2kpj s ASP 71 Cb -0.44 0.14 0.40 0.00 -1.46 0.00 0.00 42.92 41.57 2kpj s ASP 71 CO 0.56 -0.06 1.32 0.29 0.52 0.00 0.00 175.17 177.79 2kpj n LYS 72 N 3.39 2.79 -0.04 4.34 4.76 -1.26 -4.08 118.16 128.06 2kpj n LYS 72 Ca -0.17 -2.47 0.12 0.00 -2.87 0.00 0.00 58.31 52.92 2kpj n LYS 72 Cb 0.57 -1.57 0.48 0.00 -1.84 0.00 0.00 35.03 32.67 2kpj n LYS 72 CO 0.00 0.00 0.00 1.17 -1.37 0.00 0.00 177.40 177.20 2kpj n LYS 73 N -0.23 1.59 -3.06 1.97 0.00 -1.26 -4.48 118.16 112.69 2kpj n LYS 73 Ca 0.16 -0.88 -0.45 0.00 0.00 0.00 0.00 58.31 57.15 2kpj n LYS 73 Cb 0.67 -1.42 -0.02 0.00 0.00 0.00 0.00 35.03 34.26 2kpj n LYS 73 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 2kpj s LEU 74 N -1.75 5.58 -0.04 3.14 1.43 -1.26 -4.59 118.68 121.19 2kpj s LEU 74 Ca 0.35 -2.51 -0.03 0.00 -1.03 0.00 0.00 54.13 50.91 2kpj s LEU 74 Cb 0.19 -2.34 0.01 0.00 0.03 0.00 0.00 46.19 44.08 2kpj s LEU 74 CO 0.29 -0.82 0.06 -3.20 0.23 0.00 0.00 176.35 172.91 2kpj n ASN 75 N 5.43 -2.19 -4.73 2.29 2.85 -1.26 -4.95 115.26 112.70 2kpj n ASN 75 Ca 0.24 0.49 -0.42 0.00 -0.11 0.00 0.00 54.58 54.78 2kpj n ASN 75 Cb 0.47 -2.40 -0.03 0.00 1.24 0.00 0.00 39.78 39.05 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 -0.21 3.71 -0.33 -1.44 1.01 -1.26 -5.00 121.20 117.67 2kpj s ILE 76 Ca -0.07 1.32 -0.01 0.00 0.00 0.00 0.00 60.65 61.88 2kpj s ILE 76 Cb 0.00 -3.84 0.11 0.00 0.01 0.00 0.00 42.46 38.74 2kpj s ILE 76 CO 0.20 0.16 0.15 -0.62 0.00 0.00 0.00 174.94 174.83 2kpj s ASP 77 N 0.61 3.56 -0.48 3.58 2.15 -1.26 -5.09 116.67 119.74 2kpj s ASP 77 Ca 0.57 -1.77 -0.35 0.00 0.43 0.00 0.00 52.55 51.43 2kpj s ASP 77 Cb -0.32 -0.59 -0.14 0.00 -0.30 0.00 0.00 42.92 41.57 2kpj s ASP 77 CO 0.33 -0.38 2.28 0.35 -0.17 0.00 0.00 175.17 177.58 2kpj n THR 78 N 4.64 0.10 -3.72 1.71 -2.24 -1.26 -4.91 114.28 108.59 2kpj n THR 78 Ca 0.01 -0.24 -0.35 0.00 -2.27 0.00 0.00 64.05 61.20 2kpj n THR 78 Cb 0.40 -1.42 -0.09 0.00 -2.10 0.00 0.00 70.33 67.12 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 7.87 3.76 0.21 2.28 0.11 -1.26 -5.09 120.40 128.28 2kpj s VAL 79 Ca 1.14 -3.34 -0.30 0.00 -2.93 0.00 0.00 61.98 56.54 2kpj s VAL 79 Cb -0.95 -3.42 -0.08 0.00 -1.53 0.00 0.00 36.38 30.40 2kpj s VAL 79 CO 0.49 -0.94 1.03 -2.16 -3.33 0.00 0.00 175.10 170.20 2kpj s PRO 80 N -0.55 4.69 -0.18 1.54 0.04 -1.26 -5.05 135.00 134.24 2kpj s PRO 80 Ca 0.20 1.63 -0.04 0.00 0.04 0.00 0.00 61.00 62.84 2kpj s PRO 80 Cb -0.16 -3.27 -0.02 0.00 0.04 0.00 0.00 34.50 31.09 2kpj s PRO 80 CO -0.07 0.25 -0.03 0.42 0.04 0.00 0.00 177.00 177.61 2kpj s ILE 81 N -0.66 3.76 -1.25 0.56 1.09 -1.26 -5.04 121.20 118.40 2kpj s ILE 81 Ca 0.46 -0.39 -0.15 0.00 -1.10 0.00 0.00 60.65 59.47 2kpj s ILE 81 Cb -0.28 -2.67 0.14 0.00 -1.06 0.00 0.00 42.46 38.59 2kpj s ILE 81 CO 0.35 0.47 1.56 -0.62 -0.10 0.00 0.00 174.94 176.59 2kpj n GLU 82 N 3.92 3.31 -0.72 2.79 1.02 -1.26 -4.86 120.64 124.85 2kpj n GLU 82 Ca -0.17 -3.64 0.00 0.00 -0.02 0.00 0.00 57.16 53.33 2kpj n GLU 82 Cb 0.52 -3.19 0.00 0.00 -0.02 0.00 0.00 31.44 28.75 2kpj n GLU 82 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 2kpj n SER 83 N 6.52 0.00 -4.51 1.62 7.64 -1.26 -5.12 113.62 118.51 2kpj n SER 83 Ca 0.41 -0.45 -0.43 0.00 1.01 0.00 0.00 58.87 59.41 2kpj n SER 83 Cb 0.44 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.57 2kpj n SER 83 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2kpj s GLY 84 N -0.45 1.70 -1.38 0.23 0.00 -1.26 -4.96 107.32 101.21 2kpj s GLY 84 Ca 0.00 -1.29 -0.14 0.00 0.00 0.00 0.00 44.72 43.29 2kpj s GLY 84 CO 0.00 1.56 2.01 -1.72 0.00 0.00 0.00 173.10 174.96 2kpj n TYR 85 N 6.34 3.70 -2.21 1.90 4.01 -1.26 -4.95 117.16 124.68 2kpj n TYR 85 Ca -0.02 -2.94 -0.43 0.00 -0.16 0.00 0.00 57.90 54.35 2kpj n TYR 85 Cb 0.47 -2.41 -0.02 0.00 -0.31 0.00 0.00 39.34 37.07 2kpj n TYR 85 CO 0.00 0.00 0.00 0.99 -0.46 0.00 0.00 176.86 177.39 2kpj s THR 86 N 2.63 3.78 -0.67 -0.72 2.01 -1.26 -4.95 115.64 116.46 2kpj s THR 86 Ca 0.46 0.82 -0.23 0.00 0.31 0.00 0.00 61.69 63.06 2kpj s THR 86 Cb 0.10 -3.94 0.07 0.00 0.01 0.00 0.00 72.50 68.74 2kpj s THR 86 CO -0.03 -0.52 0.99 -0.76 -0.69 0.00 0.00 174.62 173.60 2kpj s LEU 87 N 5.60 4.33 0.28 4.42 1.43 -1.26 -5.01 118.68 128.47 2kpj s LEU 87 Ca 0.68 -0.98 -0.29 0.00 -1.03 0.00 0.00 54.13 52.50 2kpj s LEU 87 Cb -0.19 -2.43 -0.10 0.00 0.03 0.00 0.00 46.19 43.51 2kpj s LEU 87 CO 0.31 -1.46 1.19 -0.70 0.23 0.00 0.00 176.35 175.92 2kpj s GLU 88 N 4.13 4.52 -0.15 1.70 -6.30 -1.26 -5.02 118.70 116.32 2kpj s GLU 88 Ca 0.23 1.96 -0.03 0.00 -2.50 0.00 0.00 54.97 54.63 2kpj s GLU 88 Cb -0.16 -3.16 0.05 0.00 0.00 0.00 0.00 34.13 30.86 2kpj s GLU 88 CO 0.10 0.03 0.04 -3.38 0.02 0.00 0.00 175.26 172.07 2kpj s HIS 89 N -0.98 0.64 0.00 5.30 -3.43 -1.26 -4.14 115.29 111.42 2kpj s HIS 89 Ca 0.47 -0.46 0.00 0.00 -0.80 0.00 0.00 55.06 54.28 2kpj s HIS 89 Cb -0.35 -0.84 0.00 0.00 -1.43 0.00 0.00 32.58 29.96 2kpj s HIS 89 CO 0.44 -0.48 0.00 0.72 -2.00 0.00 0.00 174.74 173.42 2kpj n HIS 90 N 5.16 -0.06 -2.91 0.38 8.25 -1.26 -4.96 115.22 119.81 2kpj n HIS 90 Ca -0.07 0.00 -0.18 0.00 -0.26 0.00 0.00 57.72 57.20 2kpj n HIS 90 Cb 0.49 0.00 0.02 0.00 1.12 0.00 0.00 29.99 31.61 2kpj n HIS 90 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 2kpj s HIS 91 N 0.91 2.79 -0.41 4.41 3.76 -1.26 -5.05 115.29 120.43 2kpj s HIS 91 Ca 0.00 -0.30 -0.26 0.00 -0.15 0.00 0.00 55.06 54.35 2kpj s HIS 91 Cb 0.00 -2.48 0.02 0.00 1.11 0.00 0.00 32.58 31.23 2kpj s HIS 91 CO 0.00 -0.57 0.95 -1.58 -0.85 0.00 0.00 174.74 172.70 2kpj s HIS 92 N -2.47 3.00 0.17 1.40 2.46 -1.26 -5.02 115.29 113.57 2kpj s HIS 92 Ca 0.56 0.64 -0.27 0.00 0.47 0.00 0.00 55.06 56.46 2kpj s HIS 92 Cb -0.10 -3.85 -0.08 0.00 -0.13 0.00 0.00 32.58 28.42 2kpj s HIS 92 CO 0.35 -0.97 0.85 -1.58 -2.47 0.00 0.00 174.74 170.91 2kpj s HIS 93 N 3.69 3.91 0.00 3.88 5.04 -1.26 -5.36 115.29 125.19 2kpj s HIS 93 Ca 0.39 1.73 0.00 0.00 -1.54 0.00 0.00 55.06 55.64 2kpj s HIS 93 Cb -0.11 -2.87 0.00 0.00 0.04 0.00 0.00 32.58 29.64 2kpj s HIS 93 CO 0.23 0.44 0.07 -2.39 -2.34 0.00 0.00 174.74 170.75