#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kpj n VAL 2 N 0.00 1.30 -0.03 2.03 0.24 -1.26 -4.66 118.33 115.94 2kpj n VAL 2 Ca 0.00 -1.28 -0.14 0.00 -2.04 0.00 0.00 64.34 60.88 2kpj n VAL 2 Cb 0.00 0.30 -0.11 0.00 -1.47 0.00 0.00 33.84 32.56 2kpj n VAL 2 CO 0.00 0.00 0.00 0.50 -2.14 0.00 0.00 176.83 175.19 2kpj h LYS 3 N 1.07 0.06 -4.27 7.34 3.64 -2.03 -3.50 116.57 118.88 2kpj h LYS 3 Ca 0.00 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 2kpj h LYS 3 Cb 0.79 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.62 2kpj h LYS 3 CO 0.03 0.74 -0.85 -0.25 -2.27 0.00 0.00 179.45 176.85 2kpj n ASP 4 N -4.69 -8.50 0.24 4.20 8.00 -1.26 -4.58 116.55 109.96 2kpj n ASP 4 Ca -0.09 1.54 0.13 0.00 0.71 0.00 0.00 54.79 57.07 2kpj n ASP 4 Cb 0.38 -4.65 0.76 0.00 -0.02 0.00 0.00 41.12 37.59 2kpj n ASP 4 CO 0.00 0.00 0.00 0.50 -0.39 0.00 0.00 177.20 177.31 2kpj h LYS 5 N 3.72 0.00 -0.76 -1.24 3.64 -2.00 -2.10 116.57 117.84 2kpj h LYS 5 Ca 0.00 0.00 0.11 0.00 -1.27 0.00 0.00 60.65 59.49 2kpj h LYS 5 Cb 0.00 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 31.77 2kpj h LYS 5 CO 0.00 0.00 0.50 0.37 -2.27 0.00 0.00 179.45 178.05 2kpj h GLN 6 N 0.00 0.60 -0.33 1.90 5.75 -1.97 0.16 115.11 121.22 2kpj h GLN 6 Ca 0.03 -0.04 -0.09 0.00 -0.15 0.00 0.00 58.65 58.41 2kpj h GLN 6 Cb 0.16 -0.14 -0.02 0.00 1.07 0.00 0.00 27.48 28.56 2kpj h GLN 6 CO -0.00 0.40 -0.17 0.87 -2.65 0.00 0.00 178.83 177.28 2kpj h LYS 7 N 0.62 0.61 0.00 1.69 1.57 -1.62 -0.36 116.57 119.08 2kpj h LYS 7 Ca 0.36 -0.21 -0.21 0.00 -1.87 0.00 0.00 60.65 58.72 2kpj h LYS 7 Cb 0.54 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.80 2kpj h LYS 7 CO -0.13 0.75 -0.91 0.00 -0.57 0.00 0.00 179.45 178.59 2kpj h ALA 8 N 1.27 0.45 0.08 3.86 0.00 -1.19 -2.92 119.26 120.82 2kpj h ALA 8 Ca 0.09 -0.72 -0.00 0.00 0.00 0.00 0.00 54.91 54.28 2kpj h ALA 8 Cb 0.60 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.34 2kpj h ALA 8 CO 0.04 0.87 -0.04 0.82 0.00 0.00 0.00 179.25 180.94 2kpj h ILE 9 N 0.16 0.93 -0.65 0.00 2.04 -0.30 0.16 117.51 119.85 2kpj h ILE 9 Ca -0.06 -0.04 0.10 0.00 1.00 0.00 0.00 64.86 65.85 2kpj h ILE 9 Cb 1.54 0.96 -0.07 0.00 -0.74 0.00 0.00 36.82 38.50 2kpj h ILE 9 CO 0.15 0.01 0.27 0.15 0.00 0.00 0.00 178.15 178.73 2kpj h PHE 10 N -0.13 0.47 0.24 1.37 3.57 -1.13 0.18 116.94 121.52 2kpj h PHE 10 Ca -0.01 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.51 2kpj h PHE 10 Cb 0.10 -0.11 0.00 0.00 2.79 0.00 0.00 35.95 38.73 2kpj h PHE 10 CO -0.07 0.13 -0.12 1.03 -2.23 0.00 0.00 178.31 177.06 2kpj h SER 11 N 0.47 -0.28 0.28 0.41 0.87 -1.27 -1.31 113.55 112.72 2kpj h SER 11 Ca 0.33 -0.04 -0.01 0.00 -1.23 0.00 0.00 61.79 60.84 2kpj h SER 11 Cb 0.39 0.07 -0.00 0.00 -0.44 0.00 0.00 62.40 62.42 2kpj h SER 11 CO -0.30 -0.14 -0.17 -0.08 -0.53 0.00 0.00 176.83 175.60 2kpj h GLU 12 N -0.39 -0.42 -0.43 2.24 4.57 -0.05 -1.37 114.58 118.74 2kpj h GLU 12 Ca -0.03 0.03 -0.04 0.00 -1.18 0.00 0.00 59.36 58.14 2kpj h GLU 12 Cb 0.30 0.10 -0.02 0.00 -0.16 0.00 0.00 28.75 28.97 2kpj h GLU 12 CO 0.06 -0.28 0.11 -0.91 -1.18 0.00 0.00 179.01 176.81 2kpj h ASN 13 N -0.44 0.64 -0.20 1.04 4.21 -0.69 -2.48 115.58 117.66 2kpj h ASN 13 Ca -0.03 -0.22 -0.00 0.00 1.21 0.00 0.00 56.30 57.25 2kpj h ASN 13 Cb 0.36 -0.17 -0.01 0.00 -1.12 0.00 0.00 38.32 37.38 2kpj h ASN 13 CO 0.03 0.70 0.12 0.25 -1.29 0.00 0.00 177.43 177.23 2kpj h LEU 14 N 0.55 0.25 -1.42 1.61 5.85 -1.19 -2.74 115.31 118.22 2kpj h LEU 14 Ca 0.13 -0.07 0.05 0.00 0.84 0.00 0.00 57.88 58.84 2kpj h LEU 14 Cb 0.30 -0.06 -0.04 0.00 0.37 0.00 0.00 40.66 41.23 2kpj h LEU 14 CO -0.00 0.24 0.44 0.78 -0.34 0.00 0.00 178.44 179.56 2kpj h ASN 15 N 0.23 0.63 -0.71 1.25 2.35 -1.09 -0.26 115.58 117.97 2kpj h ASN 15 Ca 0.07 -0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.81 2kpj h ASN 15 Cb 0.05 -0.14 -0.03 0.00 0.05 0.00 0.00 38.32 38.25 2kpj h ASN 15 CO -0.01 0.41 0.40 0.28 -1.65 0.00 0.00 177.43 176.86 2kpj h SER 16 N 0.72 0.88 0.33 5.81 0.02 -1.14 -1.63 113.55 118.54 2kpj h SER 16 Ca 0.28 -0.09 -0.27 0.00 -0.84 0.00 0.00 61.79 60.88 2kpj h SER 16 Cb 0.21 -0.22 0.01 0.00 0.14 0.00 0.00 62.40 62.54 2kpj h SER 16 CO -0.09 0.72 -1.13 1.88 -1.14 0.00 0.00 176.83 177.07 2kpj h TYR 17 N 0.98 0.74 -0.11 3.45 0.05 -1.22 -3.01 116.97 117.85 2kpj h TYR 17 Ca 0.25 -0.46 0.02 0.00 0.05 0.00 0.00 58.73 58.60 2kpj h TYR 17 Cb 0.02 -0.06 -0.02 0.00 1.01 0.00 0.00 36.73 37.68 2kpj h TYR 17 CO -0.01 1.31 -0.03 0.82 -1.05 0.00 0.00 178.16 179.20 2kpj h ILE 18 N 0.21 0.88 -0.29 -2.88 2.04 -0.88 0.11 117.51 116.71 2kpj h ILE 18 Ca -0.14 0.00 -0.06 0.00 1.00 0.00 0.00 64.86 65.66 2kpj h ILE 18 Cb 1.80 0.88 -0.02 0.00 -0.74 0.00 0.00 36.82 38.75 2kpj h ILE 18 CO 0.20 0.00 -0.09 0.00 0.00 0.00 0.00 178.15 178.26 2kpj h ALA 19 N 1.10 1.30 0.00 1.87 0.00 -1.39 0.76 119.26 122.91 2kpj h ALA 19 Ca 0.05 -0.25 -0.13 0.00 0.00 0.00 0.00 54.91 54.59 2kpj h ALA 19 Cb 0.09 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 2kpj h ALA 19 CO -0.12 0.47 -0.61 0.87 0.00 0.00 0.00 179.25 179.86 2kpj h LYS 20 N 0.45 0.00 0.06 0.00 1.57 -1.32 -3.01 116.57 114.32 2kpj h LYS 20 Ca 0.09 0.00 -0.24 0.00 -1.87 0.00 0.00 60.65 58.63 2kpj h LYS 20 Cb 0.44 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.75 2kpj h LYS 20 CO 0.02 0.61 -1.07 1.03 -0.57 0.00 0.00 179.45 179.48 2kpj h SER 21 N 0.00 0.29 -2.01 0.86 0.87 -0.45 -3.48 113.55 109.63 2kpj h SER 21 Ca -0.01 -0.28 -0.31 0.00 -1.23 0.00 0.00 61.79 59.96 2kpj h SER 21 Cb 1.42 -0.09 -0.03 0.00 -0.44 0.00 0.00 62.40 63.26 2kpj h SER 21 CO 0.08 1.17 -0.39 1.21 -0.53 0.00 0.00 176.83 178.37 2kpj n GLU 22 N -3.54 -1.23 -3.71 2.24 2.13 0.23 -5.01 120.64 111.75 2kpj n GLU 22 Ca -0.05 0.81 -0.34 0.00 0.66 0.00 0.00 57.16 58.23 2kpj n GLU 22 Cb 0.93 -5.15 -0.05 0.00 0.27 0.00 0.00 31.44 27.44 2kpj n GLU 22 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 2kpj s LYS 23 N -4.56 3.62 0.67 5.31 3.01 -1.25 -5.08 119.74 121.46 2kpj s LYS 23 Ca 0.00 -0.03 -0.14 0.00 -1.01 0.00 0.00 55.97 54.80 2kpj s LYS 23 Cb 0.00 -3.04 0.00 0.00 -1.01 0.00 0.00 37.83 33.78 2kpj s LYS 23 CO 0.00 0.61 1.09 0.95 0.51 0.00 0.00 175.35 178.51 2kpj s THR 24 N -1.35 3.50 0.38 2.17 -4.23 -1.26 -4.80 115.64 110.04 2kpj s THR 24 Ca 0.30 0.63 0.07 0.00 -1.18 0.00 0.00 61.69 61.51 2kpj s THR 24 Cb -0.13 -3.17 0.29 0.00 1.34 0.00 0.00 72.50 70.83 2kpj s THR 24 CO 0.18 -0.50 1.98 1.56 -0.54 0.00 0.00 174.62 177.30 2kpj h GLN 25 N -0.19 0.65 -0.01 3.99 4.20 -1.98 0.59 115.11 122.36 2kpj h GLN 25 Ca -0.46 -0.04 -0.00 0.00 0.06 0.00 0.00 58.65 58.21 2kpj h GLN 25 Cb 1.23 -0.15 -0.00 0.00 0.30 0.00 0.00 27.48 28.86 2kpj h GLN 25 CO 0.55 0.43 0.01 -0.07 -0.67 0.00 0.00 178.83 179.08 2kpj h LEU 26 N 0.67 0.01 -0.64 1.46 3.38 -1.92 0.10 115.31 118.38 2kpj h LEU 26 Ca 0.28 -0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.18 2kpj h LEU 26 Cb 0.24 -0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.96 2kpj h LEU 26 CO -0.09 0.08 0.38 -0.33 0.09 0.00 0.00 178.44 178.57 2kpj h GLU 27 N -0.05 0.88 -0.21 1.13 4.39 -1.64 0.77 114.58 119.85 2kpj h GLU 27 Ca 0.00 -0.08 -0.02 0.00 0.34 0.00 0.00 59.36 59.60 2kpj h GLU 27 Cb 0.07 -0.18 -0.01 0.00 -0.10 0.00 0.00 28.75 28.53 2kpj h GLU 27 CO -0.00 0.64 0.05 0.82 -1.16 0.00 0.00 179.01 179.35 2kpj h ILE 28 N 0.87 1.21 -0.99 3.13 2.04 -0.78 -1.20 117.51 121.79 2kpj h ILE 28 Ca 0.23 -0.68 0.01 0.00 1.00 0.00 0.00 64.86 65.42 2kpj h ILE 28 Cb -0.01 1.26 -0.05 0.00 -0.74 0.00 0.00 36.82 37.28 2kpj h ILE 28 CO -0.04 0.21 0.66 0.00 0.00 0.00 0.00 178.15 178.98 2kpj h ALA 29 N 0.86 1.26 -0.81 1.87 0.00 -0.58 0.74 119.26 122.60 2kpj h ALA 29 Ca 0.06 -0.07 0.03 0.00 0.00 0.00 0.00 54.91 54.94 2kpj h ALA 29 Cb 0.28 -0.40 -0.05 0.00 0.00 0.00 0.00 17.79 17.62 2kpj h ALA 29 CO 0.00 0.64 0.52 -0.22 0.00 0.00 0.00 179.25 180.19 2kpj h LYS 30 N 1.34 0.99 -0.48 0.00 3.64 -0.64 0.35 116.57 121.78 2kpj h LYS 30 Ca 0.37 -0.06 -0.12 0.00 -1.27 0.00 0.00 60.65 59.57 2kpj h LYS 30 Cb -0.14 -0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 31.44 2kpj h LYS 30 CO -0.08 0.66 -0.16 0.77 -2.27 0.00 0.00 179.45 178.36 2kpj h SER 31 N 1.02 0.97 -0.29 4.20 0.02 -0.11 -3.18 113.55 116.19 2kpj h SER 31 Ca 0.32 -0.38 -0.10 0.00 -0.84 0.00 0.00 61.79 60.79 2kpj h SER 31 Cb -0.00 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.26 2kpj h SER 31 CO -0.11 1.13 -0.23 0.40 -1.14 0.00 0.00 176.83 176.88 2kpj h ILE 32 N 0.80 1.30 0.00 3.27 1.08 -0.46 -3.48 117.51 120.03 2kpj h ILE 32 Ca 0.11 -1.38 0.00 0.00 -0.39 0.00 0.00 64.86 63.21 2kpj h ILE 32 Cb 0.73 1.55 0.00 0.00 -3.07 0.00 0.00 36.82 36.03 2kpj h ILE 32 CO 0.06 0.44 0.00 0.61 -0.69 0.00 0.00 178.15 178.57 2kpj n GLY 33 N 0.09 1.83 3.35 5.37 0.00 0.12 -5.07 105.19 110.88 2kpj n GLY 33 Ca -0.04 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.80 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 1.24 0.39 1.61 -7.23 -0.66 -5.03 120.40 108.71 2kpj s VAL 34 Ca 0.00 -2.07 -0.25 0.00 -1.81 0.00 0.00 61.98 57.85 2kpj s VAL 34 Cb 0.00 -2.30 -0.09 0.00 0.56 0.00 0.00 36.38 34.55 2kpj s VAL 34 CO 0.00 -0.38 1.14 -0.44 -0.31 0.00 0.00 175.10 175.11 2kpj s SER 35 N -3.33 6.64 0.51 4.85 0.01 -1.26 -4.17 113.70 116.95 2kpj s SER 35 Ca 0.27 2.27 0.15 0.00 1.31 0.00 0.00 55.95 59.95 2kpj s SER 35 Cb 0.05 -2.61 1.23 0.00 0.21 0.00 0.00 66.02 64.90 2kpj s SER 35 CO 0.08 -0.59 2.13 1.55 0.41 0.00 0.00 173.24 176.83 2kpj h PRO 36 N 2.71 0.06 0.00 12.44 0.13 -1.90 0.12 132.00 145.56 2kpj h PRO 36 Ca -0.48 -0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.60 2kpj h PRO 36 Cb 1.23 -0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.34 2kpj h PRO 36 CO 0.63 0.04 -0.22 1.96 -0.23 0.00 0.00 178.00 180.18 2kpj h GLN 37 N 0.06 0.00 0.08 0.86 4.20 -1.97 -0.98 115.11 117.35 2kpj h GLN 37 Ca 0.03 0.00 -0.26 0.00 0.06 0.00 0.00 58.65 58.47 2kpj h GLN 37 Cb 0.04 0.00 0.01 0.00 0.30 0.00 0.00 27.48 27.83 2kpj h GLN 37 CO -0.00 0.22 -1.13 1.15 -0.67 0.00 0.00 178.83 178.40 2kpj h THR 38 N 0.00 1.38 -0.43 -0.54 2.02 -1.38 -3.03 112.91 110.93 2kpj h THR 38 Ca -0.00 -2.61 -0.03 0.00 0.77 0.00 0.00 66.41 64.54 2kpj h THR 38 Cb 0.93 2.65 -0.02 0.00 -1.74 0.00 0.00 68.15 69.97 2kpj h THR 38 CO 0.03 0.78 0.14 0.15 0.37 0.00 0.00 175.52 176.99 2kpj h PHE 39 N 0.21 0.63 -0.42 3.16 3.57 -1.09 -2.88 116.94 120.12 2kpj h PHE 39 Ca -0.13 -0.03 0.07 0.00 3.53 0.00 0.00 57.97 61.41 2kpj h PHE 39 Cb 1.80 -0.19 -0.06 0.00 2.79 0.00 0.00 35.95 40.28 2kpj h PHE 39 CO 0.08 0.52 0.05 -0.97 -2.23 0.00 0.00 178.31 175.76 2kpj h ASN 40 N 0.62 -0.07 0.60 0.41 -1.24 -1.06 0.16 115.58 114.99 2kpj h ASN 40 Ca 0.15 0.08 -0.03 0.00 0.71 0.00 0.00 56.30 57.21 2kpj h ASN 40 Cb 0.18 0.13 -0.00 0.00 0.73 0.00 0.00 38.32 39.35 2kpj h ASN 40 CO -0.01 -0.00 -0.16 0.71 -1.29 0.00 0.00 177.43 176.68 2kpj h THR 41 N 0.17 0.54 0.06 -3.57 1.35 -1.48 -0.59 112.91 109.38 2kpj h THR 41 Ca 0.21 -0.77 -0.07 0.00 -0.55 0.00 0.00 66.41 65.23 2kpj h THR 41 Cb 0.27 1.51 0.01 0.00 -1.73 0.00 0.00 68.15 68.22 2kpj h THR 41 CO -0.30 0.16 -0.33 -0.50 -0.25 0.00 0.00 175.52 174.30 2kpj h TRP 42 N 0.00 0.22 0.00 4.73 6.55 -1.28 -0.32 115.95 125.85 2kpj h TRP 42 Ca -0.00 -0.16 -0.04 0.00 0.95 0.00 0.00 58.89 59.64 2kpj h TRP 42 Cb 0.50 -0.01 -0.01 0.00 -0.86 0.00 0.00 29.16 28.79 2kpj h TRP 42 CO 0.00 1.12 -0.19 0.00 -1.05 0.00 0.00 178.44 178.32 2kpj n LYS 44 N -4.19 0.19 -2.85 0.00 5.02 -0.25 -4.69 118.16 111.39 2kpj n LYS 44 Ca -0.02 -0.01 -0.12 0.00 -2.02 0.00 0.00 58.31 56.13 2kpj n LYS 44 Cb 0.26 -1.50 0.03 0.00 -0.02 0.00 0.00 35.03 33.80 2kpj n LYS 44 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2kpj n GLY 45 N 1.41 0.08 0.14 0.72 0.00 -0.04 -4.94 105.19 102.56 2kpj n GLY 45 Ca 0.10 -0.24 -0.21 0.00 0.00 0.00 0.00 46.02 45.67 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 -1.06 0.72 -2.91 -0.61 2.04 -1.26 -3.41 117.51 111.02 2kpj h ILE 46 Ca -0.30 -2.41 -0.12 0.00 1.00 0.00 0.00 64.86 63.04 2kpj h ILE 46 Cb 1.20 2.57 -0.21 0.00 -0.74 0.00 0.00 36.82 39.63 2kpj h ILE 46 CO 0.31 0.87 -0.24 0.00 0.00 0.00 0.00 178.15 179.09 2kpj s ALA 47 N -2.57 -0.89 -0.22 1.87 0.00 -1.09 -5.05 121.76 113.81 2kpj s ALA 47 Ca -0.20 0.58 -0.10 0.00 0.00 0.00 0.00 51.96 52.25 2kpj s ALA 47 Cb 0.06 -0.11 -0.05 0.00 0.00 0.00 0.00 23.12 23.03 2kpj s ALA 47 CO 0.79 -0.25 0.14 0.42 0.00 0.00 0.00 175.76 176.87 2kpj s ILE 48 N -0.92 5.34 1.15 0.00 1.01 -1.26 -4.18 121.20 122.34 2kpj s ILE 48 Ca -0.10 0.17 -0.17 0.00 0.00 0.00 0.00 60.65 60.56 2kpj s ILE 48 Cb -0.04 -3.47 0.26 0.00 0.01 0.00 0.00 42.46 39.22 2kpj s ILE 48 CO 0.04 0.39 1.09 -2.16 0.00 0.00 0.00 174.94 174.29 2kpj s PRO 49 N 0.76 -0.77 0.55 2.79 0.04 -1.26 -5.02 135.00 132.08 2kpj s PRO 49 Ca 0.07 0.20 -0.17 0.00 0.04 0.00 0.00 61.00 61.15 2kpj s PRO 49 Cb -0.12 -1.62 -0.06 0.00 0.04 0.00 0.00 34.50 32.73 2kpj s PRO 49 CO 0.02 -3.47 1.03 0.50 0.04 0.00 0.00 177.00 175.12 2kpj s ARG 50 N -5.16 3.59 0.53 4.56 3.52 -1.26 -4.81 118.95 119.92 2kpj s ARG 50 Ca 0.69 1.18 0.31 0.00 -0.13 0.00 0.00 55.73 57.77 2kpj s ARG 50 Cb -0.14 -2.07 1.45 0.00 -1.56 0.00 0.00 34.95 32.62 2kpj s ARG 50 CO 0.57 -0.58 1.88 0.52 -0.81 0.00 0.00 175.30 176.88 2kpj h MET 51 N 0.83 0.04 -0.51 5.12 2.86 -1.98 -1.43 114.93 119.86 2kpj h MET 51 Ca -0.47 -0.00 0.09 0.00 -2.06 0.00 0.00 59.70 57.25 2kpj h MET 51 Cb 1.21 -0.01 -0.07 0.00 0.06 0.00 0.00 31.60 32.79 2kpj h MET 51 CO 0.59 0.02 0.09 0.78 1.06 0.00 0.00 176.91 179.45 2kpj h GLY 52 N 0.04 0.61 1.07 8.32 0.00 -2.00 0.62 103.07 111.72 2kpj h GLY 52 Ca 0.44 -0.01 -0.10 0.00 0.00 0.00 0.00 47.33 47.65 2kpj h GLY 52 CO -0.02 -0.08 -1.18 0.50 0.00 0.00 0.00 176.54 175.75 2kpj h LYS 53 N 0.22 0.00 -0.47 4.80 6.56 -1.66 -3.23 116.57 122.80 2kpj h LYS 53 Ca 0.26 0.00 -0.02 0.00 -1.06 0.00 0.00 60.65 59.82 2kpj h LYS 53 Cb 0.35 0.00 -0.02 0.00 -0.57 0.00 0.00 32.23 31.99 2kpj h LYS 53 CO -0.34 0.19 0.21 0.28 -2.06 0.00 0.00 179.45 177.72 2kpj h VAL 54 N 0.00 1.20 -0.18 0.50 2.07 -0.97 -0.84 116.25 118.03 2kpj h VAL 54 Ca -0.09 -0.58 -0.06 0.00 0.82 0.00 0.00 66.70 66.78 2kpj h VAL 54 Cb 1.35 0.71 -0.01 0.00 -1.52 0.00 0.00 31.29 31.82 2kpj h VAL 54 CO 0.03 0.22 -0.16 -0.61 0.02 0.00 0.00 177.57 177.07 2kpj h GLN 55 N 0.62 0.29 -0.45 1.57 5.75 -1.00 -1.72 115.11 120.17 2kpj h GLN 55 Ca 0.16 -0.08 -0.06 0.00 -0.15 0.00 0.00 58.65 58.52 2kpj h GLN 55 Cb 0.16 -0.03 -0.02 0.00 1.07 0.00 0.00 27.48 28.65 2kpj h GLN 55 CO -0.02 0.46 0.05 0.00 -2.65 0.00 0.00 178.83 176.67 2kpj h ALA 56 N 1.56 0.60 0.06 3.38 0.00 -1.45 -0.02 119.26 123.40 2kpj h ALA 56 Ca 0.05 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.72 2kpj h ALA 56 Cb 0.46 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 2kpj h ALA 56 CO 0.03 0.35 -0.06 -0.07 0.00 0.00 0.00 179.25 179.49 2kpj h LEU 57 N 0.62 -0.16 -0.88 0.00 3.38 -0.68 0.49 115.31 118.07 2kpj h LEU 57 Ca 0.13 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.11 2kpj h LEU 57 Cb 0.42 0.06 -0.04 0.00 0.09 0.00 0.00 40.66 41.19 2kpj h LEU 57 CO 0.01 -0.10 0.50 0.00 0.09 0.00 0.00 178.44 178.94 2kpj h ALA 58 N 0.79 1.13 -0.29 1.53 0.00 -1.23 -2.48 119.26 118.72 2kpj h ALA 58 Ca 0.00 -0.12 -0.13 0.00 0.00 0.00 0.00 54.91 54.66 2kpj h ALA 58 Cb 0.14 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 2kpj h ALA 58 CO -0.02 0.63 -0.34 0.22 0.00 0.00 0.00 179.25 179.74 2kpj h ASP 59 N 1.23 0.67 -0.83 0.00 3.58 -0.77 0.21 116.42 120.50 2kpj h ASP 59 Ca 0.31 -0.27 -0.01 0.00 0.42 0.00 0.00 57.03 57.48 2kpj h ASP 59 Cb 0.01 -0.19 -0.04 0.00 1.72 0.00 0.00 39.33 40.83 2kpj h ASP 59 CO -0.05 0.95 0.48 0.22 -2.88 0.00 0.00 179.24 177.96 2kpj h TYR 60 N 0.54 1.13 -0.15 0.28 3.20 -0.47 -0.86 116.97 120.64 2kpj h TYR 60 Ca 0.06 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.91 2kpj h TYR 60 Cb 0.84 -0.37 0.00 0.00 1.54 0.00 0.00 36.73 38.75 2kpj h TYR 60 CO 0.04 0.76 0.00 1.19 -1.64 0.00 0.00 178.16 178.51 2kpj n PHE 61 N -4.35 0.18 -3.72 -3.82 3.72 -0.99 -4.93 117.46 103.54 2kpj n PHE 61 Ca 0.09 -0.09 -0.23 0.00 -0.05 0.00 0.00 57.45 57.17 2kpj n PHE 61 Cb 0.08 0.00 0.03 0.00 -0.94 0.00 0.00 39.48 38.66 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 0.37 -1.86 -2.46 4.37 3.02 -0.33 -5.01 115.26 113.36 2kpj n ASN 62 Ca 0.17 -0.80 -0.07 0.00 -0.03 0.00 0.00 54.58 53.85 2kpj n ASN 62 Cb 0.35 -4.09 -0.02 0.00 -0.61 0.00 0.00 39.78 35.42 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 -4.35 0.00 -3.98 2.41 -5.35 0.65 -5.01 119.36 103.73 2kpj n ILE 63 Ca -0.24 -0.56 -0.21 0.00 -0.27 0.00 0.00 62.75 61.47 2kpj n ILE 63 Cb 0.65 0.14 -0.03 0.00 -1.74 0.00 0.00 39.64 38.66 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 -1.64 6.08 0.50 7.28 -0.87 -1.26 -4.32 114.94 120.71 2kpj s ASN 64 Ca 0.01 -0.04 0.17 0.00 -1.57 0.00 0.00 52.86 51.44 2kpj s ASN 64 Cb 0.00 -1.70 1.23 0.00 -0.02 0.00 0.00 41.25 40.77 2kpj s ASN 64 CO 0.01 -0.08 2.08 0.07 -2.57 0.00 0.00 177.10 176.61 2kpj h LYS 65 N 1.24 0.10 0.00 -0.60 2.10 -1.93 -1.34 116.57 116.15 2kpj h LYS 65 Ca -0.51 -0.01 -0.00 0.00 -2.00 0.00 0.00 60.65 58.13 2kpj h LYS 65 Cb 1.23 -0.02 -0.00 0.00 -0.90 0.00 0.00 32.23 32.54 2kpj h LYS 65 CO 0.60 0.07 -0.01 0.77 -2.00 0.00 0.00 179.45 178.88 2kpj h SER 66 N 0.10 0.00 0.20 7.07 0.02 -1.97 -0.31 113.55 118.66 2kpj h SER 66 Ca 0.11 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 61.02 2kpj h SER 66 Cb 0.30 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.84 2kpj h SER 66 CO -0.01 0.01 -0.16 0.44 -1.14 0.00 0.00 176.83 175.97 2kpj h ASP 67 N 0.00 0.00 0.46 3.07 3.32 -1.57 0.32 116.42 122.02 2kpj h ASP 67 Ca -0.00 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.02 2kpj h ASP 67 Cb 0.02 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.57 2kpj h ASP 67 CO 0.00 0.16 -1.56 0.18 -1.72 0.00 0.00 179.24 176.30 2kpj n LEU 68 N -4.19 0.42 -0.09 1.55 4.77 -0.22 -4.52 117.00 114.71 2kpj n LEU 68 Ca -0.02 0.16 -0.17 0.00 -0.03 0.00 0.00 56.01 55.95 2kpj n LEU 68 Cb 0.23 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.20 2kpj n LEU 68 CO 0.35 -0.05 -1.15 -0.38 -1.33 0.00 0.00 177.39 174.83 2kpj n ILE 69 N -2.50 1.56 -2.15 -0.08 5.41 -0.63 -4.23 119.36 116.73 2kpj n ILE 69 Ca -0.04 -0.64 -0.31 0.00 1.00 0.00 0.00 62.75 62.75 2kpj n ILE 69 Cb 0.61 -1.35 -0.01 0.00 -0.71 0.00 0.00 39.64 38.17 2kpj n ILE 69 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 176.55 174.94 2kpj s GLU 70 N -2.53 3.76 0.52 0.38 8.01 0.11 -4.96 118.70 123.99 2kpj s GLU 70 Ca -0.27 0.83 -0.10 0.00 0.01 0.00 0.00 54.97 55.44 2kpj s GLU 70 Cb 0.08 -2.12 -0.05 0.00 -4.31 0.00 0.00 34.13 27.73 2kpj s GLU 70 CO 0.68 -0.41 0.90 0.34 0.01 0.00 0.00 175.26 176.78 2kpj s ASP 71 N -3.64 6.35 0.00 -0.19 2.15 -1.26 -4.87 116.67 115.21 2kpj s ASP 71 Ca 0.57 1.24 0.06 0.00 0.43 0.00 0.00 52.55 54.84 2kpj s ASP 71 Cb -0.10 -2.38 0.25 0.00 -0.30 0.00 0.00 42.92 40.39 2kpj s ASP 71 CO 0.43 -0.65 1.17 2.29 -0.17 0.00 0.00 175.17 178.24 2kpj n LYS 72 N -2.15 1.17 -0.78 4.34 -0.00 -1.26 -3.97 118.16 115.51 2kpj n LYS 72 Ca 0.04 -0.27 -0.09 0.00 -0.00 0.00 0.00 58.31 57.98 2kpj n LYS 72 Cb 0.54 -1.11 -0.01 0.00 -0.00 0.00 0.00 35.03 34.45 2kpj n LYS 72 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 2kpj n LYS 73 N -0.33 1.52 -2.59 -1.58 4.81 -1.26 -4.80 118.16 113.93 2kpj n LYS 73 Ca 0.05 -0.86 -0.43 0.00 -0.87 0.00 0.00 58.31 56.20 2kpj n LYS 73 Cb 0.08 -1.43 -0.00 0.00 0.02 0.00 0.00 35.03 33.69 2kpj n LYS 73 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 2kpj s LEU 74 N -0.81 3.82 -0.07 3.14 1.43 -1.25 -4.92 118.68 120.01 2kpj s LEU 74 Ca 0.24 -2.31 0.04 0.00 -1.03 0.00 0.00 54.13 51.06 2kpj s LEU 74 Cb 0.16 -2.57 -0.02 0.00 0.03 0.00 0.00 46.19 43.78 2kpj s LEU 74 CO -0.02 -1.21 -0.18 0.21 0.23 0.00 0.00 176.35 175.38 2kpj s ASN 75 N 4.31 3.64 0.07 2.29 3.84 -1.26 -4.91 114.94 122.91 2kpj s ASN 75 Ca 0.53 -0.35 -0.31 0.00 0.21 0.00 0.00 52.86 52.94 2kpj s ASN 75 Cb 0.03 -0.96 -0.10 0.00 -0.55 0.00 0.00 41.25 39.67 2kpj s ASN 75 CO 0.05 0.27 1.93 -0.38 -2.79 0.00 0.00 177.10 176.19 2kpj n ILE 76 N 2.78 0.63 -3.47 -5.21 5.41 -1.26 -4.94 119.36 113.29 2kpj n ILE 76 Ca -0.17 -0.11 -0.08 0.00 1.00 0.00 0.00 62.75 63.38 2kpj n ILE 76 Cb 0.52 -2.25 -0.08 0.00 -0.71 0.00 0.00 39.64 37.12 2kpj n ILE 76 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 2kpj s ASP 77 N 3.86 -0.08 -0.49 4.38 2.15 -1.26 -4.99 116.67 120.25 2kpj s ASP 77 Ca 0.87 0.61 -0.37 0.00 0.43 0.00 0.00 52.55 54.08 2kpj s ASP 77 Cb -0.45 1.28 -0.15 0.00 -0.30 0.00 0.00 42.92 43.30 2kpj s ASP 77 CO 0.41 -0.27 2.25 0.41 -0.17 0.00 0.00 175.17 177.80 2kpj n THR 78 N 5.38 0.09 -3.53 1.71 -1.04 -1.26 -4.90 114.28 110.73 2kpj n THR 78 Ca -0.06 -0.18 -0.29 0.00 -2.04 0.00 0.00 64.05 61.49 2kpj n THR 78 Cb 0.50 -1.20 -0.12 0.00 -1.82 0.00 0.00 70.33 67.69 2kpj n THR 78 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 2kpj s VAL 79 N 7.42 0.61 -0.61 12.58 1.01 -1.26 -5.07 120.40 135.08 2kpj s VAL 79 Ca 1.16 -2.21 -0.05 0.00 0.00 0.00 0.00 61.98 60.87 2kpj s VAL 79 Cb -1.07 -1.44 -0.21 0.00 0.00 0.00 0.00 36.38 33.67 2kpj s VAL 79 CO 0.53 -1.02 1.63 -2.65 0.00 0.00 0.00 175.10 173.60 2kpj n PRO 80 N 3.59 0.00 -3.70 2.72 -0.02 -1.26 -4.83 135.00 131.50 2kpj n PRO 80 Ca 0.15 0.00 -0.14 0.00 -2.02 0.00 0.00 63.50 61.49 2kpj n PRO 80 Cb 0.38 -0.94 -0.09 0.00 -0.02 0.00 0.00 33.50 32.84 2kpj n PRO 80 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 2kpj s ILE 81 N 0.00 0.03 -0.95 4.25 -1.09 -1.26 -5.09 121.20 117.08 2kpj s ILE 81 Ca 0.80 -0.21 -0.24 0.00 -2.23 0.00 0.00 60.65 58.77 2kpj s ILE 81 Cb -0.52 -0.69 0.02 0.00 -1.58 0.00 0.00 42.46 39.69 2kpj s ILE 81 CO 0.35 -0.11 1.61 -0.70 -1.23 0.00 0.00 174.94 174.85 2kpj s GLU 82 N -0.70 3.21 -0.45 2.79 2.12 -1.26 -4.93 118.70 119.47 2kpj s GLU 82 Ca -0.08 -0.74 -0.14 0.00 0.36 0.00 0.00 54.97 54.37 2kpj s GLU 82 Cb -0.04 -5.15 0.07 0.00 0.26 0.00 0.00 34.13 29.27 2kpj s GLU 82 CO 0.04 -2.58 0.35 -1.54 -0.54 0.00 0.00 175.26 170.99 2kpj s SER 83 N 5.95 6.02 -1.08 -1.70 1.04 -1.26 -4.98 113.70 117.68 2kpj s SER 83 Ca 0.53 -1.32 -0.07 0.00 0.48 0.00 0.00 55.95 55.57 2kpj s SER 83 Cb -0.03 -2.13 -0.06 0.00 0.10 0.00 0.00 66.02 63.90 2kpj s SER 83 CO -0.04 -0.60 2.94 0.61 0.98 0.00 0.00 173.24 177.12 2kpj n GLY 84 N 5.13 4.25 3.50 7.32 0.00 -1.26 -4.71 105.19 119.42 2kpj n GLY 84 Ca -0.12 -1.62 0.00 0.00 0.00 0.00 0.00 46.02 44.28 2kpj n GLY 84 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2kpj s TYR 85 N 0.65 -1.30 -0.34 1.61 1.13 -1.26 -5.14 117.35 112.69 2kpj s TYR 85 Ca 0.64 2.03 -0.11 0.00 -1.41 0.00 0.00 57.07 58.22 2kpj s TYR 85 Cb 0.23 0.70 0.00 0.00 -1.10 0.00 0.00 41.96 41.79 2kpj s TYR 85 CO -0.08 -0.66 0.19 0.99 -2.51 0.00 0.00 175.55 173.48 2kpj s THR 86 N 2.84 4.75 -0.15 -3.49 2.01 -1.26 -4.95 115.64 115.39 2kpj s THR 86 Ca 0.00 -0.53 -0.20 0.00 0.31 0.00 0.00 61.69 61.27 2kpj s THR 86 Cb -0.12 -3.51 -0.17 0.00 0.01 0.00 0.00 72.50 68.71 2kpj s THR 86 CO -0.19 -0.06 0.39 -0.07 -0.69 0.00 0.00 174.62 174.00 2kpj h LEU 87 N 8.42 0.00 -0.39 4.42 -0.00 -1.99 -3.51 115.31 122.26 2kpj h LEU 87 Ca -0.30 -0.59 0.08 0.00 -0.00 0.00 0.00 57.88 57.07 2kpj h LEU 87 Cb 1.13 0.00 -0.05 0.00 -0.00 0.00 0.00 40.66 41.75 2kpj h LEU 87 CO 0.64 1.02 -0.59 1.21 -0.00 0.00 0.00 178.44 180.72 2kpj n GLU 88 N -4.59 -2.00 -1.29 1.13 2.13 -1.26 -5.05 120.64 109.70 2kpj n GLU 88 Ca -0.14 1.59 0.00 0.00 0.66 0.00 0.00 57.16 59.27 2kpj n GLU 88 Cb 0.43 -2.10 0.00 0.00 0.27 0.00 0.00 31.44 30.04 2kpj n GLU 88 CO 0.00 0.00 0.00 1.58 -0.41 0.00 0.00 177.13 178.30 2kpj n HIS 89 N -2.60 -1.49 0.00 4.31 -0.00 -1.26 -4.91 115.22 109.27 2kpj n HIS 89 Ca -0.02 0.89 0.00 0.00 0.46 0.00 0.00 57.72 59.04 2kpj n HIS 89 Cb 0.30 -2.55 0.00 0.00 -0.12 0.00 0.00 29.99 27.62 2kpj n HIS 89 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38 2kpj n HIS 90 N 0.56 0.00 0.00 1.57 -0.00 -1.26 -4.90 115.22 111.20 2kpj n HIS 90 Ca 0.00 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.18 2kpj n HIS 90 Cb 0.00 -0.41 0.00 0.00 -0.12 0.00 0.00 29.99 29.46 2kpj n HIS 90 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38 2kpj n HIS 91 N -1.72 0.00 -2.73 1.57 -0.00 -1.26 -5.10 115.22 105.98 2kpj n HIS 91 Ca 0.00 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.18 2kpj n HIS 91 Cb 0.00 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 29.87 2kpj n HIS 91 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52 2kpj n HIS 92 N 0.00 -0.02 -3.50 1.57 8.25 -1.26 -5.18 115.22 115.08 2kpj n HIS 92 Ca 0.00 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.33 2kpj n HIS 92 Cb 0.00 0.00 0.01 0.00 1.12 0.00 0.00 29.99 31.12 2kpj n HIS 92 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 2kpj n HIS 93 N 0.00 -1.49 1.54 4.41 1.44 -1.26 -5.31 115.22 114.55 2kpj n HIS 93 Ca 0.00 -1.20 0.14 0.00 -2.01 0.00 0.00 57.72 54.65 2kpj n HIS 93 Cb 0.00 -0.25 0.56 0.00 0.12 0.00 0.00 29.99 30.42 2kpj n HIS 93 CO 0.00 0.00 0.00 0.72 -2.81 0.00 0.00 176.34 174.25