#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kpj h VAL 2 N 0.00 1.00 -5.36 3.17 3.04 -2.07 -3.49 116.25 112.54 2kpj h VAL 2 Ca 0.00 -2.63 -0.02 0.00 -1.01 0.00 0.00 66.70 63.04 2kpj h VAL 2 Cb 0.00 2.44 0.00 0.00 -2.01 0.00 0.00 31.29 31.72 2kpj h VAL 2 CO 0.00 0.57 -0.49 0.29 -1.01 0.00 0.00 177.57 176.93 2kpj n LYS 3 N -3.12 -2.26 -1.60 4.17 4.01 -1.26 -4.81 118.16 113.30 2kpj n LYS 3 Ca -0.07 2.03 -0.00 0.00 -0.51 0.00 0.00 58.31 59.75 2kpj n LYS 3 Cb 0.91 -5.51 -0.00 0.00 -0.51 0.00 0.00 35.03 29.92 2kpj n LYS 3 CO 0.00 0.00 0.00 -0.25 -1.11 0.00 0.00 177.40 176.04 2kpj n ASP 4 N -0.45 -4.18 0.12 4.39 8.00 -1.26 -4.62 116.55 118.54 2kpj n ASP 4 Ca 0.10 0.67 0.15 0.00 0.71 0.00 0.00 54.79 56.42 2kpj n ASP 4 Cb 0.48 -2.62 0.68 0.00 -0.02 0.00 0.00 41.12 39.64 2kpj n ASP 4 CO 0.00 0.00 0.00 0.11 -0.39 0.00 0.00 177.20 176.92 2kpj h LYS 5 N 1.61 0.00 -0.81 -1.24 1.57 -2.01 -1.39 116.57 114.31 2kpj h LYS 5 Ca -0.04 0.00 0.08 0.00 -1.87 0.00 0.00 60.65 58.82 2kpj h LYS 5 Cb 0.10 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.36 2kpj h LYS 5 CO 0.00 0.00 0.53 0.37 -0.57 0.00 0.00 179.45 179.78 2kpj h GLN 6 N 0.00 0.78 -0.36 3.15 5.75 -1.97 0.26 115.11 122.72 2kpj h GLN 6 Ca 0.14 -0.05 -0.03 0.00 -0.15 0.00 0.00 58.65 58.56 2kpj h GLN 6 Cb 0.58 -0.18 -0.01 0.00 1.07 0.00 0.00 27.48 28.94 2kpj h GLN 6 CO -0.00 0.52 0.10 -0.22 -2.65 0.00 0.00 178.83 176.58 2kpj h LYS 7 N 0.81 0.57 -0.15 1.69 3.64 -1.51 -1.51 116.57 120.11 2kpj h LYS 7 Ca 0.37 -0.13 -0.09 0.00 -1.27 0.00 0.00 60.65 59.52 2kpj h LYS 7 Cb 0.36 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.10 2kpj h LYS 7 CO -0.14 0.60 -0.27 0.00 -2.27 0.00 0.00 179.45 177.37 2kpj h ALA 8 N 0.94 0.23 -0.29 5.00 0.00 -1.21 -2.04 119.26 121.89 2kpj h ALA 8 Ca 0.11 -0.40 -0.02 0.00 0.00 0.00 0.00 54.91 54.61 2kpj h ALA 8 Cb 0.28 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 2kpj h ALA 8 CO -0.00 0.23 0.10 0.82 0.00 0.00 0.00 179.25 180.40 2kpj h ILE 9 N 0.05 1.19 -0.52 0.00 2.04 -0.56 0.18 117.51 119.90 2kpj h ILE 9 Ca 0.01 -0.60 0.02 0.00 1.00 0.00 0.00 64.86 65.29 2kpj h ILE 9 Cb 0.86 1.04 -0.03 0.00 -0.74 0.00 0.00 36.82 37.95 2kpj h ILE 9 CO 0.06 0.20 0.32 0.15 0.00 0.00 0.00 178.15 178.88 2kpj h PHE 10 N 0.31 0.60 0.37 1.37 3.57 -1.33 0.70 116.94 122.53 2kpj h PHE 10 Ca 0.09 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.59 2kpj h PHE 10 Cb 0.22 -0.19 0.00 0.00 2.79 0.00 0.00 35.95 38.76 2kpj h PHE 10 CO 0.00 0.35 -0.18 1.03 -2.23 0.00 0.00 178.31 177.28 2kpj h SER 11 N 0.64 -0.43 -0.35 0.41 0.87 -1.01 -1.41 113.55 112.28 2kpj h SER 11 Ca 0.20 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.76 2kpj h SER 11 Cb -0.00 0.11 -0.02 0.00 -0.44 0.00 0.00 62.40 62.05 2kpj h SER 11 CO -0.08 -0.29 0.18 -0.08 -0.53 0.00 0.00 176.83 176.04 2kpj h GLU 12 N -0.52 0.49 0.65 2.24 4.81 -0.47 0.19 114.58 121.96 2kpj h GLU 12 Ca -0.05 -0.06 -0.03 0.00 -0.13 0.00 0.00 59.36 59.08 2kpj h GLU 12 Cb 0.40 -0.09 0.01 0.00 0.63 0.00 0.00 28.75 29.69 2kpj h GLU 12 CO 0.08 0.42 -0.31 -0.97 -0.73 0.00 0.00 179.01 177.50 2kpj h ASN 13 N 0.43 -0.74 -0.85 1.04 -0.73 -0.84 -2.40 115.58 111.49 2kpj h ASN 13 Ca 0.12 -0.01 -0.01 0.00 1.87 0.00 0.00 56.30 58.27 2kpj h ASN 13 Cb 0.08 0.19 -0.04 0.00 0.27 0.00 0.00 38.32 38.82 2kpj h ASN 13 CO -0.02 -0.45 0.48 0.25 -0.37 0.00 0.00 177.43 177.32 2kpj h LEU 14 N -1.00 1.06 -1.42 0.34 5.85 -1.25 -2.00 115.31 116.89 2kpj h LEU 14 Ca -0.09 -0.08 0.05 0.00 0.84 0.00 0.00 57.88 58.60 2kpj h LEU 14 Cb 0.71 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 41.43 2kpj h LEU 14 CO 0.15 0.84 0.44 -1.13 -0.34 0.00 0.00 178.44 178.40 2kpj h ASN 15 N 1.19 0.64 -0.46 1.25 -0.73 -0.88 -1.97 115.58 114.62 2kpj h ASN 15 Ca 0.30 -0.00 -0.08 0.00 1.87 0.00 0.00 56.30 58.39 2kpj h ASN 15 Cb 0.01 -0.14 -0.02 0.00 0.27 0.00 0.00 38.32 38.44 2kpj h ASN 15 CO -0.05 0.42 -0.02 0.28 -0.37 0.00 0.00 177.43 177.70 2kpj h SER 16 N 0.73 0.81 -0.53 1.15 0.02 -0.83 0.16 113.55 115.06 2kpj h SER 16 Ca 0.28 -0.32 -0.07 0.00 -0.84 0.00 0.00 61.79 60.85 2kpj h SER 16 Cb 0.18 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 62.48 2kpj h SER 16 CO -0.08 0.93 0.07 1.88 -1.14 0.00 0.00 176.83 178.49 2kpj h TYR 17 N 0.67 0.96 -0.52 3.45 0.05 -1.35 -2.26 116.97 117.96 2kpj h TYR 17 Ca 0.13 -0.14 -0.11 0.00 0.05 0.00 0.00 58.73 58.66 2kpj h TYR 17 Cb 0.52 -0.26 -0.02 0.00 1.01 0.00 0.00 36.73 37.99 2kpj h TYR 17 CO 0.04 0.86 -0.13 0.82 -1.05 0.00 0.00 178.16 178.70 2kpj h ILE 18 N 0.78 1.27 0.00 -2.88 2.04 -1.18 -2.15 117.51 115.38 2kpj h ILE 18 Ca 0.16 -1.28 -0.09 0.00 1.00 0.00 0.00 64.86 64.66 2kpj h ILE 18 Cb 0.43 0.99 -0.01 0.00 -0.74 0.00 0.00 36.82 37.49 2kpj h ILE 18 CO 0.01 0.45 -0.42 0.00 0.00 0.00 0.00 178.15 178.19 2kpj h ALA 19 N 0.96 1.26 0.09 1.87 0.00 -0.51 -2.92 119.26 120.02 2kpj h ALA 19 Ca 0.13 -0.38 -0.27 0.00 0.00 0.00 0.00 54.91 54.39 2kpj h ALA 19 Cb 0.69 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 2kpj h ALA 19 CO 0.05 0.53 -1.29 -0.22 0.00 0.00 0.00 179.25 178.32 2kpj h LYS 20 N 0.00 0.20 -6.99 0.00 3.64 -1.29 -3.46 116.57 108.67 2kpj h LYS 20 Ca -0.00 -0.34 -0.52 0.00 -1.27 0.00 0.00 60.65 58.52 2kpj h LYS 20 Cb 0.77 0.13 0.08 0.00 -0.41 0.00 0.00 32.23 32.80 2kpj h LYS 20 CO 0.05 1.11 0.55 -1.12 -2.27 0.00 0.00 179.45 177.77 2kpj s SER 21 N -6.96 6.06 0.37 4.20 0.01 -0.82 -4.93 113.70 111.63 2kpj s SER 21 Ca -0.04 2.50 0.20 0.00 1.31 0.00 0.00 55.95 59.92 2kpj s SER 21 Cb 0.08 -2.62 0.48 0.00 0.21 0.00 0.00 66.02 64.17 2kpj s SER 21 CO 0.86 -1.01 1.64 -0.33 0.41 0.00 0.00 173.24 174.81 2kpj h GLU 22 N 2.17 0.00 -6.59 12.44 5.08 -1.89 -3.45 114.58 122.34 2kpj h GLU 22 Ca -0.50 0.00 -0.52 0.00 -1.00 0.00 0.00 59.36 57.34 2kpj h GLU 22 Cb 1.26 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.50 2kpj h GLU 22 CO 0.60 0.33 0.44 0.15 -1.00 0.00 0.00 179.01 179.54 2kpj s LYS 23 N -3.31 4.61 0.90 2.33 3.01 -1.26 -5.03 119.74 120.98 2kpj s LYS 23 Ca 0.03 1.62 -0.13 0.00 -1.01 0.00 0.00 55.97 56.47 2kpj s LYS 23 Cb 0.09 -3.33 0.18 0.00 -1.01 0.00 0.00 37.83 33.75 2kpj s LYS 23 CO 0.69 0.07 1.25 0.95 0.51 0.00 0.00 175.35 178.82 2kpj s THR 24 N 0.08 2.03 0.34 2.17 -4.23 -1.26 -4.79 115.64 109.98 2kpj s THR 24 Ca 0.50 -0.11 0.07 0.00 -1.18 0.00 0.00 61.69 60.96 2kpj s THR 24 Cb -0.27 -2.92 0.31 0.00 1.34 0.00 0.00 72.50 70.96 2kpj s THR 24 CO 0.32 0.00 1.89 1.56 -0.54 0.00 0.00 174.62 177.85 2kpj h GLN 25 N -1.39 0.75 0.02 3.99 4.20 -1.96 -1.17 115.11 119.56 2kpj h GLN 25 Ca -0.43 -0.05 -0.00 0.00 0.06 0.00 0.00 58.65 58.23 2kpj h GLN 25 Cb 1.25 -0.17 0.00 0.00 0.30 0.00 0.00 27.48 28.86 2kpj h GLN 25 CO 0.41 0.50 -0.01 1.25 -0.67 0.00 0.00 178.83 180.30 2kpj h LEU 26 N 0.78 -0.03 -0.97 1.46 6.46 -1.92 -1.94 115.31 119.15 2kpj h LEU 26 Ca 0.41 -0.31 -0.06 0.00 -0.12 0.00 0.00 57.88 57.80 2kpj h LEU 26 Cb 0.53 0.01 -0.02 0.00 -0.73 0.00 0.00 40.66 40.44 2kpj h LEU 26 CO -0.18 0.30 0.09 -0.33 -0.62 0.00 0.00 178.44 177.70 2kpj h GLU 27 N -0.35 0.84 -0.03 1.25 4.39 -1.77 0.39 114.58 119.30 2kpj h GLU 27 Ca -0.00 -0.19 -0.01 0.00 0.34 0.00 0.00 59.36 59.50 2kpj h GLU 27 Cb 0.34 -0.12 -0.00 0.00 -0.10 0.00 0.00 28.75 28.87 2kpj h GLU 27 CO 0.01 0.78 -0.01 0.82 -1.16 0.00 0.00 179.01 179.44 2kpj h ILE 28 N 0.80 1.32 -0.44 3.13 2.04 -1.25 -2.76 117.51 120.35 2kpj h ILE 28 Ca 0.17 -0.99 -0.04 0.00 1.00 0.00 0.00 64.86 65.00 2kpj h ILE 28 Cb 0.35 1.93 -0.02 0.00 -0.74 0.00 0.00 36.82 38.34 2kpj h ILE 28 CO 0.01 0.26 0.09 0.00 0.00 0.00 0.00 178.15 178.51 2kpj h ALA 29 N 0.61 1.33 -0.95 1.87 0.00 -1.07 -2.35 119.26 118.70 2kpj h ALA 29 Ca 0.01 -0.19 0.07 0.00 0.00 0.00 0.00 54.91 54.80 2kpj h ALA 29 Cb 0.43 -0.18 -0.06 0.00 0.00 0.00 0.00 17.79 17.98 2kpj h ALA 29 CO 0.00 0.47 0.61 -0.22 0.00 0.00 0.00 179.25 180.12 2kpj h LYS 30 N 0.65 1.05 0.00 0.00 3.64 -0.17 0.38 116.57 122.12 2kpj h LYS 30 Ca 0.14 -0.06 -0.10 0.00 -1.27 0.00 0.00 60.65 59.36 2kpj h LYS 30 Cb 0.27 -0.24 -0.01 0.00 -0.41 0.00 0.00 32.23 31.84 2kpj h LYS 30 CO 0.00 0.70 -0.50 1.03 -2.27 0.00 0.00 179.45 178.41 2kpj h SER 31 N 1.08 0.00 0.12 4.20 0.87 -1.14 -3.31 113.55 115.37 2kpj h SER 31 Ca 0.41 0.00 -0.21 0.00 -1.23 0.00 0.00 61.79 60.76 2kpj h SER 31 Cb 0.20 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 62.17 2kpj h SER 31 CO -0.16 0.50 -0.99 0.40 -0.53 0.00 0.00 176.83 176.05 2kpj h ILE 32 N 0.00 1.34 0.00 2.23 2.04 -0.89 -3.49 117.51 118.75 2kpj h ILE 32 Ca -0.00 -2.47 0.00 0.00 1.00 0.00 0.00 64.86 63.39 2kpj h ILE 32 Cb 1.35 3.01 0.00 0.00 -0.74 0.00 0.00 36.82 40.44 2kpj h ILE 32 CO 0.06 0.69 0.00 0.61 0.00 0.00 0.00 178.15 179.52 2kpj n GLY 33 N 1.68 1.15 3.95 5.37 0.00 0.12 -5.10 105.19 112.36 2kpj n GLY 33 Ca -0.18 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.59 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 5.28 0.52 1.61 -7.23 -1.00 -5.02 120.40 112.56 2kpj s VAL 34 Ca 0.00 -0.77 -0.20 0.00 -1.81 0.00 0.00 61.98 59.19 2kpj s VAL 34 Cb 0.00 -3.76 -0.06 0.00 0.56 0.00 0.00 36.38 33.12 2kpj s VAL 34 CO 0.00 -0.15 1.14 -0.44 -0.31 0.00 0.00 175.10 175.34 2kpj s SER 35 N -3.41 5.85 0.40 4.85 0.01 -1.26 -4.23 113.70 115.90 2kpj s SER 35 Ca 0.34 2.21 0.13 0.00 1.31 0.00 0.00 55.95 59.95 2kpj s SER 35 Cb -0.11 -2.59 0.96 0.00 0.21 0.00 0.00 66.02 64.50 2kpj s SER 35 CO 0.28 -1.13 1.89 -0.65 0.41 0.00 0.00 173.24 174.04 2kpj h PRO 36 N 1.43 0.51 -0.08 12.44 0.11 -1.90 0.57 132.00 145.09 2kpj h PRO 36 Ca -0.50 -0.03 -0.07 0.00 0.11 0.00 0.00 66.00 65.51 2kpj h PRO 36 Cb 1.26 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 32.24 2kpj h PRO 36 CO 0.58 0.34 -0.27 1.96 -0.21 0.00 0.00 178.00 180.40 2kpj h GLN 37 N 0.53 0.14 -0.11 1.05 4.20 -1.96 0.15 115.11 119.11 2kpj h GLN 37 Ca 0.41 -0.04 -0.11 0.00 0.06 0.00 0.00 58.65 58.97 2kpj h GLN 37 Cb 0.84 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.61 2kpj h GLN 37 CO -0.16 0.41 -0.35 1.15 -0.67 0.00 0.00 178.83 179.21 2kpj h THR 38 N 0.13 1.39 -0.29 -0.54 2.02 -1.27 -2.76 112.91 111.58 2kpj h THR 38 Ca 0.02 -1.67 -0.08 0.00 0.77 0.00 0.00 66.41 65.45 2kpj h THR 38 Cb 0.55 2.16 -0.02 0.00 -1.74 0.00 0.00 68.15 69.11 2kpj h THR 38 CO 0.04 0.49 -0.14 0.15 0.37 0.00 0.00 175.52 176.43 2kpj h PHE 39 N -0.00 0.55 -0.66 3.16 3.57 -1.22 -2.89 116.94 119.45 2kpj h PHE 39 Ca -0.01 -0.09 0.04 0.00 3.53 0.00 0.00 57.97 61.44 2kpj h PHE 39 Cb 0.97 -0.15 -0.05 0.00 2.79 0.00 0.00 35.95 39.52 2kpj h PHE 39 CO 0.11 0.63 0.40 -0.97 -2.23 0.00 0.00 178.31 176.25 2kpj h ASN 40 N 0.47 0.63 0.08 0.41 -1.24 -0.56 -0.88 115.58 114.48 2kpj h ASN 40 Ca 0.08 0.01 -0.04 0.00 0.71 0.00 0.00 56.30 57.06 2kpj h ASN 40 Cb 0.52 -0.12 -0.01 0.00 0.73 0.00 0.00 38.32 39.44 2kpj h ASN 40 CO 0.03 0.43 -0.14 0.71 -1.29 0.00 0.00 177.43 177.18 2kpj h THR 41 N 0.76 1.15 -0.07 -3.57 1.35 -1.27 0.33 112.91 111.59 2kpj h THR 41 Ca 0.28 -0.68 -0.15 0.00 -0.55 0.00 0.00 66.41 65.31 2kpj h THR 41 Cb 0.07 1.24 0.01 0.00 -1.73 0.00 0.00 68.15 67.74 2kpj h THR 41 CO -0.13 0.21 -0.54 -0.50 -0.25 0.00 0.00 175.52 174.31 2kpj h TRP 42 N 0.14 0.68 -0.34 4.73 6.55 -1.38 0.46 115.95 126.80 2kpj h TRP 42 Ca 0.03 -0.32 -0.11 0.00 0.95 0.00 0.00 58.89 59.44 2kpj h TRP 42 Cb 0.33 -0.10 -0.01 0.00 -0.86 0.00 0.00 29.16 28.52 2kpj h TRP 42 CO 0.00 1.11 -0.24 0.00 -1.05 0.00 0.00 178.44 178.26 2kpj n LYS 44 N -4.11 0.10 -2.97 0.00 0.00 0.11 -4.71 118.16 106.57 2kpj n LYS 44 Ca -0.00 0.20 -0.12 0.00 0.00 0.00 0.00 58.31 58.39 2kpj n LYS 44 Cb 0.43 -1.64 0.04 0.00 0.00 0.00 0.00 35.03 33.85 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 0.75 0.16 0.13 3.14 0.00 -0.48 -4.95 105.19 103.94 2kpj n GLY 45 Ca 0.05 -0.23 -0.22 0.00 0.00 0.00 0.00 46.02 45.62 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 -1.24 1.07 -3.22 -0.61 2.04 -0.33 -3.46 117.51 111.76 2kpj h ILE 46 Ca -0.29 -2.48 -0.10 0.00 1.00 0.00 0.00 64.86 63.00 2kpj h ILE 46 Cb 1.19 2.81 -0.18 0.00 -0.74 0.00 0.00 36.82 39.91 2kpj h ILE 46 CO 0.29 0.77 -0.24 0.00 0.00 0.00 0.00 178.15 178.97 2kpj s ALA 47 N -2.52 -0.73 -0.21 1.87 0.00 -1.20 -5.06 121.76 113.91 2kpj s ALA 47 Ca -0.17 0.10 -0.08 0.00 0.00 0.00 0.00 51.96 51.81 2kpj s ALA 47 Cb 0.04 0.27 -0.04 0.00 0.00 0.00 0.00 23.12 23.39 2kpj s ALA 47 CO 0.82 -0.38 0.08 0.42 0.00 0.00 0.00 175.76 176.70 2kpj s ILE 48 N -2.28 4.84 1.27 0.00 1.01 -1.26 -4.29 121.20 120.49 2kpj s ILE 48 Ca -0.07 -0.01 -0.21 0.00 0.00 0.00 0.00 60.65 60.36 2kpj s ILE 48 Cb -0.02 -3.21 0.32 0.00 0.01 0.00 0.00 42.46 39.56 2kpj s ILE 48 CO -0.02 0.42 1.08 -2.16 0.00 0.00 0.00 174.94 174.26 2kpj s PRO 49 N 0.72 -1.79 0.66 2.79 0.04 -1.26 -5.03 135.00 131.12 2kpj s PRO 49 Ca 0.04 -0.12 -0.11 0.00 0.04 0.00 0.00 61.00 60.86 2kpj s PRO 49 Cb -0.13 -1.53 -0.02 0.00 0.04 0.00 0.00 34.50 32.86 2kpj s PRO 49 CO 0.02 -4.08 1.05 1.03 0.04 0.00 0.00 177.00 175.06 2kpj s ARG 50 N -5.42 3.28 0.44 4.56 1.81 -1.26 -4.77 118.95 117.59 2kpj s ARG 50 Ca 0.71 0.68 0.18 0.00 -1.72 0.00 0.00 55.73 55.58 2kpj s ARG 50 Cb -0.09 -2.05 1.13 0.00 -0.45 0.00 0.00 34.95 33.49 2kpj s ARG 50 CO 0.56 -0.79 1.91 0.00 -0.68 0.00 0.00 175.30 176.31 2kpj h MET 51 N -0.48 0.33 -0.57 3.54 -0.00 -1.98 0.12 114.93 115.90 2kpj h MET 51 Ca -0.44 -0.02 -0.04 0.00 -0.00 0.00 0.00 59.70 59.19 2kpj h MET 51 Cb 1.21 -0.07 -0.03 0.00 -0.00 0.00 0.00 31.60 32.71 2kpj h MET 51 CO 0.62 0.22 0.17 0.78 -0.00 0.00 0.00 176.91 178.70 2kpj h GLY 52 N 0.34 0.91 1.08 -3.00 0.00 -1.99 0.54 103.07 100.95 2kpj h GLY 52 Ca 0.38 -0.50 -0.20 0.00 0.00 0.00 0.00 47.33 47.00 2kpj h GLY 52 CO -0.11 0.47 -1.44 0.50 0.00 0.00 0.00 176.54 175.96 2kpj h LYS 53 N 0.83 0.00 -0.75 4.80 1.57 -1.44 -2.96 116.57 118.61 2kpj h LYS 53 Ca 0.19 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.92 2kpj h LYS 53 Cb 0.25 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.52 2kpj h LYS 53 CO -0.01 0.39 0.27 0.28 -0.57 0.00 0.00 179.45 179.81 2kpj h VAL 54 N 0.00 1.26 -0.88 0.50 2.07 -0.87 -0.76 116.25 117.57 2kpj h VAL 54 Ca -0.19 -0.86 0.00 0.00 0.82 0.00 0.00 66.70 66.48 2kpj h VAL 54 Cb 1.72 0.41 -0.04 0.00 -1.52 0.00 0.00 31.29 31.85 2kpj h VAL 54 CO 0.06 0.34 0.56 -0.61 0.02 0.00 0.00 177.57 177.95 2kpj h GLN 55 N 1.10 1.17 -0.56 1.57 5.75 -0.94 -0.68 115.11 122.52 2kpj h GLN 55 Ca 0.25 -0.08 -0.06 0.00 -0.15 0.00 0.00 58.65 58.60 2kpj h GLN 55 Cb 0.26 -0.26 -0.02 0.00 1.07 0.00 0.00 27.48 28.53 2kpj h GLN 55 CO -0.01 0.79 0.10 0.00 -2.65 0.00 0.00 178.83 177.06 2kpj h ALA 56 N 1.42 0.75 -0.06 3.38 0.00 -1.23 0.68 119.26 124.21 2kpj h ALA 56 Ca 0.32 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 2kpj h ALA 56 Cb -0.11 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.47 2kpj h ALA 56 CO -0.07 0.49 0.03 -0.07 0.00 0.00 0.00 179.25 179.63 2kpj h LEU 57 N 0.82 0.07 -1.44 0.00 3.38 -0.68 0.11 115.31 117.58 2kpj h LEU 57 Ca 0.17 -0.07 -0.04 0.00 0.09 0.00 0.00 57.88 58.04 2kpj h LEU 57 Cb 0.40 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 2kpj h LEU 57 CO 0.01 0.11 -0.02 0.00 0.09 0.00 0.00 178.44 178.63 2kpj h ALA 58 N 0.96 1.55 -0.17 1.53 0.00 -0.99 -2.03 119.26 120.11 2kpj h ALA 58 Ca 0.02 -0.16 -0.18 0.00 0.00 0.00 0.00 54.91 54.59 2kpj h ALA 58 Cb 0.06 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 17.75 2kpj h ALA 58 CO -0.00 0.33 -0.61 0.22 0.00 0.00 0.00 179.25 179.19 2kpj h ASP 59 N 0.33 0.83 -0.51 0.00 3.58 -0.51 0.22 116.42 120.37 2kpj h ASP 59 Ca 0.08 -0.60 0.01 0.00 0.42 0.00 0.00 57.03 56.93 2kpj h ASP 59 Cb 0.26 -0.24 -0.03 0.00 1.72 0.00 0.00 39.33 41.04 2kpj h ASP 59 CO 0.01 1.29 0.34 0.22 -2.88 0.00 0.00 179.24 178.22 2kpj h TYR 60 N 0.42 0.64 -0.00 0.28 3.20 -0.38 -2.52 116.97 118.61 2kpj h TYR 60 Ca -0.03 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.86 2kpj h TYR 60 Cb 1.23 -0.22 0.00 0.00 1.54 0.00 0.00 36.73 39.29 2kpj h TYR 60 CO 0.09 0.40 -0.35 1.19 -1.64 0.00 0.00 178.16 177.85 2kpj n PHE 61 N -4.73 0.00 -3.33 -3.82 3.72 -0.80 -4.96 117.46 103.54 2kpj n PHE 61 Ca 0.03 0.00 -0.17 0.00 -0.05 0.00 0.00 57.45 57.26 2kpj n PHE 61 Cb 0.02 -0.30 0.07 0.00 -0.94 0.00 0.00 39.48 38.33 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 -1.44 -5.44 -3.87 4.37 5.15 -0.10 -5.04 115.26 108.89 2kpj n ASN 62 Ca 0.07 -0.72 -0.23 0.00 -0.60 0.00 0.00 54.58 53.10 2kpj n ASN 62 Cb 0.33 -5.04 -0.08 0.00 -0.53 0.00 0.00 39.78 34.46 2kpj n ASN 62 CO 0.00 0.00 0.00 0.27 1.40 0.00 0.00 177.26 178.93 2kpj s ILE 63 N -3.40 0.37 0.47 -1.44 -4.36 0.59 -5.02 121.20 108.41 2kpj s ILE 63 Ca 0.35 -2.00 0.04 0.00 -0.26 0.00 0.00 60.65 58.78 2kpj s ILE 63 Cb -0.05 -2.40 0.02 0.00 1.25 0.00 0.00 42.46 41.28 2kpj s ILE 63 CO 0.75 0.00 0.66 0.20 0.24 0.00 0.00 174.94 176.79 2kpj s ASN 64 N -3.52 5.54 0.37 4.36 0.01 -1.26 -4.57 114.94 115.88 2kpj s ASN 64 Ca 0.30 -0.14 0.09 0.00 -0.71 0.00 0.00 52.86 52.40 2kpj s ASN 64 Cb 0.03 -0.91 0.73 0.00 0.41 0.00 0.00 41.25 41.51 2kpj s ASN 64 CO 0.19 -0.89 1.89 0.07 -1.51 0.00 0.00 177.10 176.85 2kpj h LYS 65 N 0.39 0.25 0.00 -0.60 2.10 -1.95 -2.41 116.57 114.35 2kpj h LYS 65 Ca -0.42 -0.06 -0.01 0.00 -2.00 0.00 0.00 60.65 58.15 2kpj h LYS 65 Cb 1.28 -0.03 -0.00 0.00 -0.90 0.00 0.00 32.23 32.58 2kpj h LYS 65 CO 0.50 0.42 -0.07 0.77 -2.00 0.00 0.00 179.45 179.07 2kpj h SER 66 N 0.24 0.00 0.38 7.07 0.02 -1.99 -2.98 113.55 116.30 2kpj h SER 66 Ca 0.05 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.98 2kpj h SER 66 Cb 0.42 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.96 2kpj h SER 66 CO 0.03 0.07 -0.09 0.44 -1.14 0.00 0.00 176.83 176.13 2kpj h ASP 67 N 0.00 0.00 0.59 3.07 3.32 -1.82 -0.49 116.42 121.09 2kpj h ASP 67 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2kpj h ASP 67 Cb 0.75 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.30 2kpj h ASP 67 CO 0.01 0.09 -1.40 0.18 -1.72 0.00 0.00 179.24 176.40 2kpj n LEU 68 N -3.55 0.51 -0.06 1.55 4.77 -1.13 -4.48 117.00 114.61 2kpj n LEU 68 Ca -0.02 0.19 -0.08 0.00 -0.03 0.00 0.00 56.01 56.07 2kpj n LEU 68 Cb 0.22 -0.04 -0.15 0.00 -2.33 0.00 0.00 43.42 41.13 2kpj n LEU 68 CO 0.29 -0.11 -0.86 -0.38 -1.33 0.00 0.00 177.39 175.00 2kpj n ILE 69 N -2.50 1.40 -2.19 -0.08 5.41 -0.65 -4.24 119.36 116.51 2kpj n ILE 69 Ca -0.02 -0.81 -0.38 0.00 1.00 0.00 0.00 62.75 62.54 2kpj n ILE 69 Cb 0.56 -0.67 -0.01 0.00 -0.71 0.00 0.00 39.64 38.81 2kpj n ILE 69 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 176.55 174.72 2kpj s GLU 70 N -2.60 3.91 0.17 0.38 4.04 -0.28 -4.86 118.70 119.46 2kpj s GLU 70 Ca -0.08 1.94 0.04 0.00 0.04 0.00 0.00 54.97 56.91 2kpj s GLU 70 Cb 0.07 -2.62 -0.04 0.00 0.02 0.00 0.00 34.13 31.57 2kpj s GLU 70 CO 0.83 -0.47 0.23 0.34 -1.84 0.00 0.00 175.26 174.35 2kpj s ASP 71 N -1.06 5.96 0.00 0.83 2.15 -1.26 -4.95 116.67 118.34 2kpj s ASP 71 Ca 0.59 0.01 0.11 0.00 0.43 0.00 0.00 52.55 53.69 2kpj s ASP 71 Cb -0.33 -1.68 0.39 0.00 -0.30 0.00 0.00 42.92 41.00 2kpj s ASP 71 CO 0.41 0.04 1.30 0.29 -0.17 0.00 0.00 175.17 177.03 2kpj n LYS 72 N -0.64 1.58 -0.26 4.34 4.01 -1.26 -2.86 118.16 123.06 2kpj n LYS 72 Ca -0.08 -0.89 0.07 0.00 -0.51 0.00 0.00 58.31 56.90 2kpj n LYS 72 Cb 0.55 -1.24 0.20 0.00 -0.51 0.00 0.00 35.03 34.03 2kpj n LYS 72 CO 0.00 0.00 0.00 1.17 -1.11 0.00 0.00 177.40 177.46 2kpj n LYS 73 N 0.19 2.19 -2.21 1.97 0.00 -1.26 -4.77 118.16 114.27 2kpj n LYS 73 Ca 0.10 -1.64 -0.37 0.00 0.00 0.00 0.00 58.31 56.40 2kpj n LYS 73 Cb 0.23 -1.42 -0.03 0.00 0.00 0.00 0.00 35.03 33.81 2kpj n LYS 73 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 2kpj n LEU 74 N 0.76 4.31 0.00 3.14 4.77 -1.14 -4.88 117.00 123.96 2kpj n LEU 74 Ca 0.15 -3.58 0.00 0.00 -0.03 0.00 0.00 56.01 52.55 2kpj n LEU 74 Cb 0.43 -1.69 0.00 0.00 -2.33 0.00 0.00 43.42 39.82 2kpj n LEU 74 CO 0.11 -0.58 0.00 0.59 -1.33 0.00 0.00 177.39 176.18 2kpj n ASN 75 N 10.48 0.42 -4.63 -1.43 3.02 -1.26 -5.03 115.26 116.83 2kpj n ASN 75 Ca 0.48 -0.51 -0.43 0.00 -0.03 0.00 0.00 54.58 54.08 2kpj n ASN 75 Cb 0.45 0.00 -0.02 0.00 -0.61 0.00 0.00 39.78 39.60 2kpj n ASN 75 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2kpj s ILE 76 N 1.17 3.74 -0.29 2.41 1.09 -1.26 -4.92 121.20 123.14 2kpj s ILE 76 Ca 0.00 0.82 0.03 0.00 -1.10 0.00 0.00 60.65 60.40 2kpj s ILE 76 Cb 0.00 -3.77 0.19 0.00 -1.06 0.00 0.00 42.46 37.82 2kpj s ILE 76 CO 0.00 -0.34 0.58 -0.62 -0.10 0.00 0.00 174.94 174.46 2kpj s ASP 77 N 4.20 -1.40 -0.03 3.58 2.15 -1.26 -5.14 116.67 118.77 2kpj s ASP 77 Ca 0.70 0.45 -0.27 0.00 0.43 0.00 0.00 52.55 53.85 2kpj s ASP 77 Cb -0.23 2.03 -0.03 0.00 -0.30 0.00 0.00 42.92 44.38 2kpj s ASP 77 CO 0.29 -0.29 0.87 0.28 -0.17 0.00 0.00 175.17 176.15 2kpj s THR 78 N 2.82 4.94 -0.60 1.71 -1.32 -1.26 -5.01 115.64 116.92 2kpj s THR 78 Ca 0.15 1.81 0.04 0.00 -1.21 0.00 0.00 61.69 62.47 2kpj s THR 78 Cb -0.12 -4.21 0.15 0.00 -1.51 0.00 0.00 72.50 66.81 2kpj s THR 78 CO -0.24 0.20 0.37 -0.69 -2.21 0.00 0.00 174.62 172.05 2kpj s VAL 79 N 0.90 2.84 -1.00 5.08 1.01 -1.26 -5.05 120.40 122.92 2kpj s VAL 79 Ca 0.46 -3.64 -0.24 0.00 0.00 0.00 0.00 61.98 58.56 2kpj s VAL 79 Cb -0.20 -2.91 -0.05 0.00 0.00 0.00 0.00 36.38 33.22 2kpj s VAL 79 CO 0.24 -0.88 1.91 -2.16 0.00 0.00 0.00 175.10 174.20 2kpj s PRO 80 N -0.70 2.64 -0.14 2.72 0.04 -1.26 -4.94 135.00 133.36 2kpj s PRO 80 Ca 0.20 -0.64 -0.29 0.00 0.04 0.00 0.00 61.00 60.30 2kpj s PRO 80 Cb -0.18 -5.15 -0.01 0.00 0.04 0.00 0.00 34.50 29.20 2kpj s PRO 80 CO -0.06 -3.44 1.13 0.42 0.04 0.00 0.00 177.00 175.08 2kpj s ILE 81 N 9.86 4.50 -0.28 0.56 -1.09 -1.26 -4.98 121.20 128.51 2kpj s ILE 81 Ca 0.68 1.80 -0.29 0.00 -2.23 0.00 0.00 60.65 60.61 2kpj s ILE 81 Cb -0.04 -4.16 0.00 0.00 -1.58 0.00 0.00 42.46 36.68 2kpj s ILE 81 CO 0.03 -0.08 1.21 -0.70 -1.23 0.00 0.00 174.94 174.17 2kpj s GLU 82 N 2.76 4.04 -0.38 2.79 2.12 -1.26 -4.99 118.70 123.78 2kpj s GLU 82 Ca 0.51 1.27 -0.13 0.00 0.36 0.00 0.00 54.97 56.98 2kpj s GLU 82 Cb -0.20 -3.80 0.01 0.00 0.26 0.00 0.00 34.13 30.40 2kpj s GLU 82 CO 0.15 -0.96 0.25 -1.12 -0.54 0.00 0.00 175.26 173.04 2kpj s SER 83 N 2.22 5.94 0.51 -1.70 0.01 -1.26 -5.07 113.70 114.35 2kpj s SER 83 Ca 0.52 -0.83 -0.19 0.00 1.31 0.00 0.00 55.95 56.76 2kpj s SER 83 Cb -0.16 -2.10 -0.07 0.00 0.21 0.00 0.00 66.02 63.89 2kpj s SER 83 CO 0.18 -0.38 1.03 -0.83 0.41 0.00 0.00 173.24 173.66 2kpj s GLY 84 N 1.64 2.37 -0.41 3.44 0.00 -1.26 -5.01 107.32 108.09 2kpj s GLY 84 Ca 0.04 0.51 -0.17 0.00 0.00 0.00 0.00 44.72 45.10 2kpj s GLY 84 CO 0.09 0.82 0.45 -0.47 0.00 0.00 0.00 173.10 173.99 2kpj s TYR 85 N -2.16 3.17 0.19 1.90 5.04 -1.26 -5.03 117.35 119.20 2kpj s TYR 85 Ca 0.65 -0.26 0.03 0.00 -2.44 0.00 0.00 57.07 55.06 2kpj s TYR 85 Cb -0.15 -2.91 -0.01 0.00 0.35 0.00 0.00 41.96 39.24 2kpj s TYR 85 CO 0.24 -0.67 0.11 2.41 -1.34 0.00 0.00 175.55 176.31 2kpj n THR 86 N 5.45 0.00 -0.55 4.34 -1.04 -1.26 -5.12 114.28 116.10 2kpj n THR 86 Ca -0.07 -1.24 0.00 0.00 -2.04 0.00 0.00 64.05 60.70 2kpj n THR 86 Cb 0.48 0.53 0.00 0.00 -1.82 0.00 0.00 70.33 69.52 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 0.00 -3.06 -4.59 -4.42 4.32 -1.26 -4.92 117.00 103.07 2kpj n LEU 87 Ca 0.00 0.98 -0.42 0.00 -0.02 0.00 0.00 56.01 56.56 2kpj n LEU 87 Cb 0.31 -0.25 -0.06 0.00 -1.62 0.00 0.00 43.42 41.80 2kpj n LEU 87 CO 0.16 -0.14 0.50 -1.61 -1.22 0.00 0.00 177.39 175.08 2kpj s GLU 88 N -3.71 3.83 -0.02 3.23 2.02 -1.26 -5.03 118.70 117.76 2kpj s GLU 88 Ca 0.00 0.33 0.00 0.00 0.02 0.00 0.00 54.97 55.32 2kpj s GLU 88 Cb 0.00 -3.77 0.03 0.00 0.10 0.00 0.00 34.13 30.49 2kpj s GLU 88 CO 0.00 -0.72 0.03 -3.38 0.02 0.00 0.00 175.26 171.21 2kpj s HIS 89 N 2.87 0.03 0.09 1.61 -3.43 -1.26 -5.15 115.29 110.04 2kpj s HIS 89 Ca 0.29 0.12 0.05 0.00 -0.80 0.00 0.00 55.06 54.71 2kpj s HIS 89 Cb -0.14 -0.22 -0.03 0.00 -1.43 0.00 0.00 32.58 30.76 2kpj s HIS 89 CO 0.14 -0.08 -0.12 -1.58 -2.00 0.00 0.00 174.74 171.09 2kpj s HIS 90 N 0.98 1.17 0.46 0.38 2.46 -1.26 -5.13 115.29 114.35 2kpj s HIS 90 Ca -0.08 -0.54 -0.24 0.00 0.47 0.00 0.00 55.06 54.67 2kpj s HIS 90 Cb -0.12 -0.64 -0.07 0.00 -0.13 0.00 0.00 32.58 31.62 2kpj s HIS 90 CO -0.03 0.05 1.32 -1.01 -2.47 0.00 0.00 174.74 172.60 2kpj s HIS 91 N -1.79 2.61 -0.00 3.88 3.76 -1.26 -5.04 115.29 117.45 2kpj s HIS 91 Ca 0.02 1.39 -0.18 0.00 -0.15 0.00 0.00 55.06 56.14 2kpj s HIS 91 Cb -0.07 -3.70 0.03 0.00 1.11 0.00 0.00 32.58 29.95 2kpj s HIS 91 CO 0.02 -2.38 0.40 -3.38 -0.85 0.00 0.00 174.74 168.54 2kpj s HIS 92 N -1.31 -0.28 0.30 1.40 -3.43 -1.26 -5.16 115.29 105.55 2kpj s HIS 92 Ca 0.63 0.39 -0.21 0.00 -0.80 0.00 0.00 55.06 55.07 2kpj s HIS 92 Cb -0.38 0.18 -0.09 0.00 -1.43 0.00 0.00 32.58 30.86 2kpj s HIS 92 CO 0.47 -0.48 0.83 -1.58 -2.00 0.00 0.00 174.74 171.99 2kpj s HIS 93 N -1.63 3.58 -2.17 0.38 5.65 -1.26 -5.35 115.29 114.49 2kpj s HIS 93 Ca -0.11 1.54 0.31 0.00 0.25 0.00 0.00 55.06 57.04 2kpj s HIS 93 Cb -0.03 -2.75 1.61 0.00 -1.18 0.00 0.00 32.58 30.24 2kpj s HIS 93 CO 0.03 0.20 2.06 1.58 -0.65 0.00 0.00 174.74 177.97