#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 4.65 -0.01 3.17 0.11 -1.26 -4.87 120.40 122.19 2kpj s VAL 2 Ca 0.00 -0.01 0.12 0.00 -2.93 0.00 0.00 61.98 59.16 2kpj s VAL 2 Cb 0.00 -4.38 -0.22 0.00 -1.53 0.00 0.00 36.38 30.24 2kpj s VAL 2 CO 0.00 -0.89 0.79 0.07 -3.33 0.00 0.00 175.10 171.74 2kpj h LYS 3 N 9.10 0.00 -4.39 1.54 2.10 -2.06 -3.43 116.57 119.44 2kpj h LYS 3 Ca -0.26 0.00 -0.65 0.00 -2.00 0.00 0.00 60.65 57.74 2kpj h LYS 3 Cb 1.09 0.00 -0.40 0.00 -0.90 0.00 0.00 32.23 32.01 2kpj h LYS 3 CO 1.00 0.58 -0.72 -0.51 -2.00 0.00 0.00 179.45 177.81 2kpj s ASP 4 N -6.20 4.60 -0.00 7.07 1.01 -1.26 -4.98 116.67 116.92 2kpj s ASP 4 Ca -0.03 -2.16 -0.25 0.00 0.71 0.00 0.00 52.55 50.81 2kpj s ASP 4 Cb 0.08 -1.51 -0.19 0.00 1.01 0.00 0.00 42.92 42.32 2kpj s ASP 4 CO 0.82 -0.37 1.31 0.50 0.21 0.00 0.00 175.17 177.65 2kpj h LYS 5 N 7.57 -0.07 -0.11 8.23 3.64 -2.00 -2.58 116.57 131.25 2kpj h LYS 5 Ca -0.06 0.00 -0.08 0.00 -1.27 0.00 0.00 60.65 59.25 2kpj h LYS 5 Cb 1.01 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.83 2kpj h LYS 5 CO 0.53 0.32 -0.29 0.37 -2.27 0.00 0.00 179.45 178.10 2kpj h GLN 6 N -0.48 0.20 -0.29 1.90 5.75 -1.97 -2.09 115.11 118.14 2kpj h GLN 6 Ca -0.01 -0.07 -0.17 0.00 -0.15 0.00 0.00 58.65 58.25 2kpj h GLN 6 Cb 0.42 -0.01 -0.00 0.00 1.07 0.00 0.00 27.48 28.96 2kpj h GLN 6 CO 0.01 0.48 -0.50 -0.22 -2.65 0.00 0.00 178.83 175.95 2kpj h LYS 7 N 0.18 0.85 -0.66 1.69 3.64 -1.96 0.10 116.57 120.42 2kpj h LYS 7 Ca 0.03 -0.53 -0.06 0.00 -1.27 0.00 0.00 60.65 58.81 2kpj h LYS 7 Cb 0.62 0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 32.47 2kpj h LYS 7 CO 0.04 1.16 0.16 0.00 -2.27 0.00 0.00 179.45 178.55 2kpj h ALA 8 N 0.68 1.04 -0.02 5.00 0.00 -1.14 0.20 119.26 125.03 2kpj h ALA 8 Ca 0.02 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 2kpj h ALA 8 Cb 1.11 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.64 2kpj h ALA 8 CO 0.11 0.63 -0.01 0.82 0.00 0.00 0.00 179.25 180.80 2kpj h ILE 9 N 0.99 1.33 -0.40 0.00 2.04 -1.28 -2.01 117.51 118.19 2kpj h ILE 9 Ca 0.21 -0.99 0.05 0.00 1.00 0.00 0.00 64.86 65.13 2kpj h ILE 9 Cb 0.34 1.96 -0.04 0.00 -0.74 0.00 0.00 36.82 38.34 2kpj h ILE 9 CO 0.00 0.26 0.14 0.15 0.00 0.00 0.00 178.15 178.70 2kpj h PHE 10 N -0.37 0.24 -0.05 1.37 3.57 -0.60 0.60 116.94 121.70 2kpj h PHE 10 Ca 0.00 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.52 2kpj h PHE 10 Cb 0.43 -0.05 -0.00 0.00 2.79 0.00 0.00 35.95 39.12 2kpj h PHE 10 CO 0.07 0.09 0.02 1.03 -2.23 0.00 0.00 178.31 177.30 2kpj h SER 11 N 0.30 0.06 -0.55 0.41 0.87 -0.64 -1.41 113.55 112.59 2kpj h SER 11 Ca 0.18 -0.11 -0.08 0.00 -1.23 0.00 0.00 61.79 60.56 2kpj h SER 11 Cb 0.17 -0.02 -0.02 0.00 -0.44 0.00 0.00 62.40 62.09 2kpj h SER 11 CO -0.19 0.16 0.07 -0.08 -0.53 0.00 0.00 176.83 176.25 2kpj h GLU 12 N -0.03 0.97 0.18 2.24 4.81 -1.10 0.17 114.58 121.83 2kpj h GLU 12 Ca 0.02 -0.26 0.00 0.00 -0.13 0.00 0.00 59.36 58.99 2kpj h GLU 12 Cb 0.11 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.36 2kpj h GLU 12 CO -0.00 0.92 -0.16 -0.91 -0.73 0.00 0.00 179.01 178.12 2kpj h ASN 13 N 0.91 -0.43 -0.13 1.04 2.35 -0.69 -0.25 115.58 118.38 2kpj h ASN 13 Ca 0.18 0.04 -0.01 0.00 -0.55 0.00 0.00 56.30 55.96 2kpj h ASN 13 Cb 0.44 0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.95 2kpj h ASN 13 CO 0.02 -0.25 0.04 0.25 -1.65 0.00 0.00 177.43 175.83 2kpj h LEU 14 N -0.37 0.20 -1.32 1.61 5.85 -1.05 -3.03 115.31 117.20 2kpj h LEU 14 Ca -0.00 -0.22 -0.04 0.00 0.84 0.00 0.00 57.88 58.46 2kpj h LEU 14 Cb 0.34 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.30 2kpj h LEU 14 CO -0.03 0.36 0.01 -1.13 -0.34 0.00 0.00 178.44 177.31 2kpj h ASN 15 N 0.02 0.43 -0.66 1.25 -1.24 -0.57 -1.74 115.58 113.06 2kpj h ASN 15 Ca 0.04 -0.07 -0.07 0.00 0.71 0.00 0.00 56.30 56.91 2kpj h ASN 15 Cb 0.24 -0.11 -0.03 0.00 0.73 0.00 0.00 38.32 39.15 2kpj h ASN 15 CO -0.00 0.49 0.14 0.28 -1.29 0.00 0.00 177.43 177.05 2kpj h SER 16 N 0.44 1.03 -0.08 1.15 0.02 -0.98 -0.51 113.55 114.63 2kpj h SER 16 Ca 0.10 -0.23 -0.12 0.00 -0.84 0.00 0.00 61.79 60.70 2kpj h SER 16 Cb 0.29 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.54 2kpj h SER 16 CO 0.01 1.00 -0.34 1.88 -1.14 0.00 0.00 176.83 178.24 2kpj h TYR 17 N 1.02 0.66 -0.30 3.45 0.05 -1.23 0.37 116.97 121.00 2kpj h TYR 17 Ca 0.21 -0.17 -0.04 0.00 0.05 0.00 0.00 58.73 58.77 2kpj h TYR 17 Cb 0.39 -0.15 -0.01 0.00 1.01 0.00 0.00 36.73 37.97 2kpj h TYR 17 CO 0.03 0.84 0.02 0.82 -1.05 0.00 0.00 178.16 178.82 2kpj h ILE 18 N 0.48 1.25 -0.09 -2.88 2.04 -1.05 0.87 117.51 118.13 2kpj h ILE 18 Ca 0.05 -0.88 -0.10 0.00 1.00 0.00 0.00 64.86 64.93 2kpj h ILE 18 Cb 0.82 1.24 -0.01 0.00 -0.74 0.00 0.00 36.82 38.13 2kpj h ILE 18 CO 0.07 0.29 -0.40 0.00 0.00 0.00 0.00 178.15 178.11 2kpj h ALA 19 N 0.85 1.17 0.01 1.87 0.00 -0.93 -2.85 119.26 119.38 2kpj h ALA 19 Ca 0.09 -0.40 -0.21 0.00 0.00 0.00 0.00 54.91 54.39 2kpj h ALA 19 Cb 0.40 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 2kpj h ALA 19 CO 0.01 0.57 -0.93 -0.22 0.00 0.00 0.00 179.25 178.68 2kpj h LYS 20 N 0.16 0.27 -7.37 0.00 3.64 -0.77 -3.45 116.57 109.05 2kpj h LYS 20 Ca 0.02 -0.31 -0.48 0.00 -1.27 0.00 0.00 60.65 58.60 2kpj h LYS 20 Cb 0.78 0.09 0.13 0.00 -0.41 0.00 0.00 32.23 32.82 2kpj h LYS 20 CO 0.06 1.03 0.29 0.45 -2.27 0.00 0.00 179.45 179.01 2kpj s SER 21 N -6.99 3.97 0.07 4.20 0.15 0.28 -4.98 113.70 110.39 2kpj s SER 21 Ca -0.04 1.40 0.04 0.00 0.70 0.00 0.00 55.95 58.05 2kpj s SER 21 Cb 0.09 -2.10 -0.24 0.00 -1.71 0.00 0.00 66.02 62.07 2kpj s SER 21 CO 0.85 -2.31 1.09 -0.08 1.20 0.00 0.00 173.24 173.98 2kpj h GLU 22 N -1.32 0.08 -7.04 5.44 4.81 -1.87 -3.47 114.58 111.20 2kpj h GLU 22 Ca -0.48 -0.14 -0.50 0.00 -0.13 0.00 0.00 59.36 58.10 2kpj h GLU 22 Cb 1.28 0.05 0.06 0.00 0.63 0.00 0.00 28.75 30.77 2kpj h GLU 22 CO 0.57 0.97 0.45 0.21 -0.73 0.00 0.00 179.01 180.48 2kpj s LYS 23 N -2.67 3.59 0.56 1.92 2.47 -1.26 -5.02 119.74 119.32 2kpj s LYS 23 Ca -0.02 1.66 -0.03 0.00 -1.56 0.00 0.00 55.97 56.02 2kpj s LYS 23 Cb 0.09 -2.20 0.01 0.00 -1.46 0.00 0.00 37.83 34.27 2kpj s LYS 23 CO 0.84 -0.67 0.83 0.95 0.16 0.00 0.00 175.35 177.46 2kpj s THR 24 N -1.68 3.46 0.28 3.43 -4.23 -1.26 -4.83 115.64 110.81 2kpj s THR 24 Ca 0.68 -0.27 0.02 0.00 -1.18 0.00 0.00 61.69 60.94 2kpj s THR 24 Cb -0.25 -3.35 0.28 0.00 1.34 0.00 0.00 72.50 70.52 2kpj s THR 24 CO 0.30 -0.31 1.80 1.56 -0.54 0.00 0.00 174.62 177.43 2kpj h GLN 25 N -0.02 0.82 -0.33 3.99 4.20 -1.95 -2.17 115.11 119.65 2kpj h GLN 25 Ca -0.45 -0.05 -0.10 0.00 0.06 0.00 0.00 58.65 58.11 2kpj h GLN 25 Cb 1.27 -0.19 -0.01 0.00 0.30 0.00 0.00 27.48 28.85 2kpj h GLN 25 CO 0.58 0.54 -0.18 1.25 -0.67 0.00 0.00 178.83 180.36 2kpj h LEU 26 N 0.85 0.73 -0.66 1.46 6.46 -1.96 -1.92 115.31 120.27 2kpj h LEU 26 Ca 0.51 -0.42 0.04 0.00 -0.12 0.00 0.00 57.88 57.90 2kpj h LEU 26 Cb 0.64 -0.20 -0.05 0.00 -0.73 0.00 0.00 40.66 40.32 2kpj h LEU 26 CO -0.32 0.98 0.39 -0.33 -0.62 0.00 0.00 178.44 178.55 2kpj h GLU 27 N 0.47 0.73 -0.31 1.25 4.39 -1.79 -1.21 114.58 118.12 2kpj h GLU 27 Ca 0.07 -0.04 -0.05 0.00 0.34 0.00 0.00 59.36 59.68 2kpj h GLU 27 Cb 0.72 -0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 29.19 2kpj h GLU 27 CO 0.05 0.48 0.01 0.82 -1.16 0.00 0.00 179.01 179.21 2kpj h ILE 28 N 0.75 1.25 -0.87 3.13 2.04 -1.30 -2.79 117.51 119.72 2kpj h ILE 28 Ca 0.28 -0.92 0.05 0.00 1.00 0.00 0.00 64.86 65.26 2kpj h ILE 28 Cb 0.09 1.25 -0.06 0.00 -0.74 0.00 0.00 36.82 37.36 2kpj h ILE 28 CO -0.13 0.30 0.55 0.00 0.00 0.00 0.00 178.15 178.87 2kpj h ALA 29 N 0.85 1.18 -0.50 1.87 0.00 -0.96 0.40 119.26 122.09 2kpj h ALA 29 Ca 0.09 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 55.01 2kpj h ALA 29 Cb 0.42 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 17.91 2kpj h ALA 29 CO 0.01 0.34 0.28 0.87 0.00 0.00 0.00 179.25 180.75 2kpj h LYS 30 N 1.03 0.53 -0.00 0.00 1.79 -1.11 0.18 116.57 118.99 2kpj h LYS 30 Ca 0.37 -0.03 -0.17 0.00 -2.18 0.00 0.00 60.65 58.63 2kpj h LYS 30 Cb 0.10 -0.12 -0.02 0.00 -1.58 0.00 0.00 32.23 30.61 2kpj h LYS 30 CO -0.15 0.35 -0.80 0.77 -1.08 0.00 0.00 179.45 178.54 2kpj h SER 31 N 0.54 0.07 -0.13 0.86 0.02 -1.08 -3.22 113.55 110.61 2kpj h SER 31 Ca 0.21 -0.05 -0.11 0.00 -0.84 0.00 0.00 61.79 61.00 2kpj h SER 31 Cb 0.08 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 62.60 2kpj h SER 31 CO -0.12 0.84 -0.36 0.40 -1.14 0.00 0.00 176.83 176.45 2kpj h ILE 32 N 0.03 1.37 0.00 3.27 1.08 -0.69 -3.48 117.51 119.09 2kpj h ILE 32 Ca -0.02 -1.66 0.00 0.00 -0.39 0.00 0.00 64.86 62.80 2kpj h ILE 32 Cb 1.41 2.10 0.00 0.00 -3.07 0.00 0.00 36.82 37.26 2kpj h ILE 32 CO 0.11 0.49 0.00 0.61 -0.69 0.00 0.00 178.15 178.67 2kpj n GLY 33 N 0.54 1.51 3.57 5.37 0.00 0.01 -5.10 105.19 111.09 2kpj n GLY 33 Ca -0.07 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.71 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 3.06 0.33 1.61 -7.23 -0.93 -5.05 120.40 110.20 2kpj s VAL 34 Ca 0.00 -2.06 -0.27 0.00 -1.81 0.00 0.00 61.98 57.85 2kpj s VAL 34 Cb 0.00 -2.61 -0.09 0.00 0.56 0.00 0.00 36.38 34.24 2kpj s VAL 34 CO 0.00 -0.35 1.05 -0.44 -0.31 0.00 0.00 175.10 175.05 2kpj s SER 35 N -3.50 7.08 0.53 4.85 0.01 -1.26 -4.37 113.70 117.03 2kpj s SER 35 Ca 0.30 2.09 0.20 0.00 1.31 0.00 0.00 55.95 59.85 2kpj s SER 35 Cb -0.06 -2.60 1.35 0.00 0.21 0.00 0.00 66.02 64.92 2kpj s SER 35 CO 0.17 -0.27 2.11 1.55 0.41 0.00 0.00 173.24 177.21 2kpj h PRO 36 N 3.18 0.00 -0.34 12.44 0.13 -1.94 -0.38 132.00 145.09 2kpj h PRO 36 Ca -0.47 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.59 2kpj h PRO 36 Cb 1.21 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.32 2kpj h PRO 36 CO 0.65 0.00 -0.07 1.96 -0.23 0.00 0.00 178.00 180.31 2kpj h GLN 37 N 0.00 0.57 -0.00 0.86 4.20 -1.99 0.22 115.11 118.96 2kpj h GLN 37 Ca 0.08 -0.15 -0.24 0.00 0.06 0.00 0.00 58.65 58.40 2kpj h GLN 37 Cb 0.33 -0.07 0.01 0.00 0.30 0.00 0.00 27.48 28.06 2kpj h GLN 37 CO -0.00 0.64 -0.99 1.15 -0.67 0.00 0.00 178.83 178.96 2kpj h THR 38 N 0.53 1.35 -0.40 -0.54 2.02 -1.49 -2.90 112.91 111.48 2kpj h THR 38 Ca 0.10 -2.36 -0.06 0.00 0.77 0.00 0.00 66.41 64.86 2kpj h THR 38 Cb 0.44 2.40 -0.02 0.00 -1.74 0.00 0.00 68.15 69.23 2kpj h THR 38 CO 0.02 0.72 -0.02 0.15 0.37 0.00 0.00 175.52 176.76 2kpj h PHE 39 N 0.30 0.67 -0.52 3.16 3.04 -1.01 -2.85 116.94 119.73 2kpj h PHE 39 Ca -0.10 -0.08 0.00 0.00 3.98 0.00 0.00 57.97 61.77 2kpj h PHE 39 Cb 1.63 -0.19 -0.03 0.00 2.56 0.00 0.00 35.95 39.92 2kpj h PHE 39 CO 0.08 0.65 0.34 -0.97 -2.02 0.00 0.00 178.31 176.39 2kpj h ASN 40 N 0.60 0.61 0.42 0.41 -1.24 -0.46 -1.80 115.58 114.12 2kpj h ASN 40 Ca 0.12 -0.02 -0.01 0.00 0.71 0.00 0.00 56.30 57.10 2kpj h ASN 40 Cb 0.41 -0.15 -0.00 0.00 0.73 0.00 0.00 38.32 39.30 2kpj h ASN 40 CO 0.02 0.45 -0.05 0.71 -1.29 0.00 0.00 177.43 177.27 2kpj h THR 41 N 0.71 0.25 0.03 -3.57 1.35 -1.31 0.19 112.91 110.56 2kpj h THR 41 Ca 0.19 -0.36 -0.17 0.00 -0.55 0.00 0.00 66.41 65.52 2kpj h THR 41 Cb -0.07 1.28 0.02 0.00 -1.73 0.00 0.00 68.15 67.64 2kpj h THR 41 CO -0.04 0.05 -0.70 -0.50 -0.25 0.00 0.00 175.52 174.08 2kpj h TRP 42 N 0.00 0.65 -0.12 4.73 6.55 -1.30 0.21 115.95 126.68 2kpj h TRP 42 Ca -0.00 -0.37 -0.09 0.00 0.95 0.00 0.00 58.89 59.38 2kpj h TRP 42 Cb 0.27 -0.07 -0.01 0.00 -0.86 0.00 0.00 29.16 28.49 2kpj h TRP 42 CO 0.00 1.21 -0.32 0.00 -1.05 0.00 0.00 178.44 178.28 2kpj n LYS 44 N -4.11 1.24 -2.35 0.00 4.76 0.57 -4.90 118.16 113.37 2kpj n LYS 44 Ca -0.01 -0.37 -0.14 0.00 -2.87 0.00 0.00 58.31 54.92 2kpj n LYS 44 Cb 0.41 -1.49 -0.00 0.00 -1.84 0.00 0.00 35.03 32.10 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 1.07 -0.21 0.13 0.72 0.00 -0.80 -4.92 105.19 101.19 2kpj n GLY 45 Ca 0.22 -0.27 -0.22 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.14 0.78 -3.87 -0.61 2.04 -0.83 -3.45 117.51 111.43 2kpj h ILE 46 Ca -0.34 -2.33 -0.14 0.00 1.00 0.00 0.00 64.86 63.05 2kpj h ILE 46 Cb 1.25 2.50 -0.18 0.00 -0.74 0.00 0.00 36.82 39.65 2kpj h ILE 46 CO 0.40 0.74 -0.58 0.00 0.00 0.00 0.00 178.15 178.70 2kpj s ALA 47 N -2.50 0.03 -0.16 1.87 0.00 -0.93 -5.04 121.76 115.02 2kpj s ALA 47 Ca -0.23 -0.60 -0.04 0.00 0.00 0.00 0.00 51.96 51.09 2kpj s ALA 47 Cb 0.06 0.22 -0.03 0.00 0.00 0.00 0.00 23.12 23.37 2kpj s ALA 47 CO 0.74 -0.28 -0.02 0.42 0.00 0.00 0.00 175.76 176.62 2kpj s ILE 48 N -2.39 3.96 0.83 0.00 1.01 -1.26 -4.13 121.20 119.22 2kpj s ILE 48 Ca -0.07 -0.33 -0.11 0.00 0.00 0.00 0.00 60.65 60.14 2kpj s ILE 48 Cb -0.03 -2.75 0.09 0.00 0.01 0.00 0.00 42.46 39.79 2kpj s ILE 48 CO -0.04 0.48 1.13 -2.16 0.00 0.00 0.00 174.94 174.35 2kpj s PRO 49 N 0.46 1.71 0.77 2.79 0.04 -1.26 -4.99 135.00 134.52 2kpj s PRO 49 Ca -0.03 1.40 -0.13 0.00 0.04 0.00 0.00 61.00 62.28 2kpj s PRO 49 Cb -0.14 -1.82 0.06 0.00 0.04 0.00 0.00 34.50 32.65 2kpj s PRO 49 CO 0.03 -2.09 1.17 0.50 0.04 0.00 0.00 177.00 176.65 2kpj s ARG 50 N -4.67 1.92 0.31 4.56 3.52 -1.26 -4.65 118.95 118.68 2kpj s ARG 50 Ca 0.65 1.62 0.07 0.00 -0.13 0.00 0.00 55.73 57.94 2kpj s ARG 50 Cb -0.21 -1.82 0.79 0.00 -1.56 0.00 0.00 34.95 32.15 2kpj s ARG 50 CO 0.55 -1.97 1.76 1.98 -0.81 0.00 0.00 175.30 176.81 2kpj h MET 51 N -0.74 0.67 0.00 5.12 1.85 -1.99 0.25 114.93 120.08 2kpj h MET 51 Ca -0.46 -0.04 -0.00 0.00 -0.61 0.00 0.00 59.70 58.59 2kpj h MET 51 Cb 1.28 -0.15 -0.00 0.00 0.43 0.00 0.00 31.60 33.16 2kpj h MET 51 CO 0.48 0.44 -0.02 0.78 -0.40 0.00 0.00 176.91 178.20 2kpj h GLY 52 N 0.69 0.00 1.20 1.39 0.00 -2.00 -0.61 103.07 103.74 2kpj h GLY 52 Ca 0.60 0.00 -0.30 0.00 0.00 0.00 0.00 47.33 47.63 2kpj h GLY 52 CO -0.42 0.00 -1.56 0.50 0.00 0.00 0.00 176.54 175.06 2kpj h LYS 53 N 0.00 0.20 -0.82 4.80 6.56 -0.88 -3.06 116.57 123.36 2kpj h LYS 53 Ca -0.00 -0.34 -0.00 0.00 -1.06 0.00 0.00 60.65 59.25 2kpj h LYS 53 Cb 0.03 0.13 -0.04 0.00 -0.57 0.00 0.00 32.23 31.77 2kpj h LYS 53 CO 0.00 1.02 0.51 0.28 -2.06 0.00 0.00 179.45 179.20 2kpj h VAL 54 N 0.05 1.23 -0.83 0.50 2.07 -0.80 -0.72 116.25 117.74 2kpj h VAL 54 Ca -0.25 -0.48 -0.01 0.00 0.82 0.00 0.00 66.70 66.78 2kpj h VAL 54 Cb 2.00 0.06 -0.04 0.00 -1.52 0.00 0.00 31.29 31.79 2kpj h VAL 54 CO 0.14 0.23 0.46 -0.61 0.02 0.00 0.00 177.57 177.81 2kpj h GLN 55 N 1.12 1.15 -0.59 1.57 5.75 -1.21 -1.13 115.11 121.78 2kpj h GLN 55 Ca 0.30 -0.13 -0.08 0.00 -0.15 0.00 0.00 58.65 58.59 2kpj h GLN 55 Cb -0.06 -0.23 -0.02 0.00 1.07 0.00 0.00 27.48 28.24 2kpj h GLN 55 CO -0.06 0.83 0.06 0.00 -2.65 0.00 0.00 178.83 177.02 2kpj h ALA 56 N 1.35 0.79 0.10 3.38 0.00 -1.25 0.11 119.26 123.75 2kpj h ALA 56 Ca 0.29 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 2kpj h ALA 56 Cb 0.02 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.58 2kpj h ALA 56 CO -0.05 0.58 -0.05 -0.07 0.00 0.00 0.00 179.25 179.66 2kpj h LEU 57 N 0.91 -0.12 -1.34 0.00 3.38 -0.74 0.05 115.31 117.45 2kpj h LEU 57 Ca 0.18 -0.13 -0.03 0.00 0.09 0.00 0.00 57.88 57.99 2kpj h LEU 57 Cb 0.47 0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.23 2kpj h LEU 57 CO 0.02 0.06 0.10 0.00 0.09 0.00 0.00 178.44 178.70 2kpj h ALA 58 N 0.59 1.48 -0.51 1.53 0.00 -1.13 -2.36 119.26 118.85 2kpj h ALA 58 Ca -0.01 -0.14 -0.08 0.00 0.00 0.00 0.00 54.91 54.68 2kpj h ALA 58 Cb 0.24 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 2kpj h ALA 58 CO 0.02 0.39 0.02 0.22 0.00 0.00 0.00 179.25 179.90 2kpj h ASP 59 N 0.53 0.86 -0.42 0.00 3.58 -0.49 0.14 116.42 120.61 2kpj h ASP 59 Ca 0.13 -0.29 -0.06 0.00 0.42 0.00 0.00 57.03 57.22 2kpj h ASP 59 Cb 0.19 -0.23 -0.02 0.00 1.72 0.00 0.00 39.33 40.99 2kpj h ASP 59 CO -0.00 0.94 0.07 0.22 -2.88 0.00 0.00 179.24 177.58 2kpj h TYR 60 N 0.75 0.82 0.00 0.28 3.20 -0.49 -1.27 116.97 120.25 2kpj h TYR 60 Ca 0.15 -0.09 0.00 0.00 3.14 0.00 0.00 58.73 61.93 2kpj h TYR 60 Cb 0.49 -0.23 0.00 0.00 1.54 0.00 0.00 36.73 38.52 2kpj h TYR 60 CO 0.04 0.72 -0.30 1.19 -1.64 0.00 0.00 178.16 178.17 2kpj n PHE 61 N -4.25 0.35 -2.83 -3.82 3.72 -0.96 -4.93 117.46 104.74 2kpj n PHE 61 Ca 0.03 0.10 -0.20 0.00 -0.05 0.00 0.00 57.45 57.34 2kpj n PHE 61 Cb 0.26 -0.58 0.03 0.00 -0.94 0.00 0.00 39.48 38.25 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 -1.83 -5.60 -2.96 4.37 5.15 0.26 -5.00 115.26 109.65 2kpj n ASN 62 Ca 0.05 -0.21 -0.09 0.00 -0.60 0.00 0.00 54.58 53.73 2kpj n ASN 62 Cb 0.39 -4.47 -0.00 0.00 -0.53 0.00 0.00 39.78 35.16 2kpj n ASN 62 CO 0.00 0.00 0.00 2.30 1.40 0.00 0.00 177.26 180.96 2kpj n ILE 63 N -4.32 0.00 -3.50 -1.44 -5.35 0.10 -5.00 119.36 99.85 2kpj n ILE 63 Ca -0.12 -0.76 -0.34 0.00 -0.27 0.00 0.00 62.75 61.26 2kpj n ILE 63 Cb 0.62 -0.24 -0.05 0.00 -1.74 0.00 0.00 39.64 38.23 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 -2.07 6.67 0.36 7.28 0.01 -1.26 -4.57 114.94 121.37 2kpj s ASN 64 Ca 0.08 0.87 0.13 0.00 -0.71 0.00 0.00 52.86 53.24 2kpj s ASN 64 Cb -0.01 -2.21 0.69 0.00 0.41 0.00 0.00 41.25 40.14 2kpj s ASN 64 CO 0.05 0.10 1.80 0.07 -1.51 0.00 0.00 177.10 177.61 2kpj h LYS 65 N 3.36 0.00 -0.24 -0.60 2.10 -1.92 -2.52 116.57 116.76 2kpj h LYS 65 Ca -0.48 0.00 0.01 0.00 -2.00 0.00 0.00 60.65 58.18 2kpj h LYS 65 Cb 1.19 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.50 2kpj h LYS 65 CO 0.67 0.40 0.16 0.77 -2.00 0.00 0.00 179.45 179.46 2kpj h SER 66 N 0.00 0.24 0.09 7.07 0.02 -1.99 -1.62 113.55 117.37 2kpj h SER 66 Ca -0.00 -0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 60.94 2kpj h SER 66 Cb 0.73 -0.06 -0.00 0.00 0.14 0.00 0.00 62.40 63.21 2kpj h SER 66 CO 0.05 0.17 -0.03 0.44 -1.14 0.00 0.00 176.83 176.33 2kpj h ASP 67 N 0.29 0.00 0.86 3.07 3.32 -1.81 0.13 116.42 122.28 2kpj h ASP 67 Ca 0.09 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.11 2kpj h ASP 67 Cb 0.03 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.57 2kpj h ASP 67 CO -0.02 0.03 -1.16 0.18 -1.72 0.00 0.00 179.24 176.54 2kpj n LEU 68 N -3.70 0.78 -0.10 1.55 4.77 -0.63 -4.49 117.00 115.18 2kpj n LEU 68 Ca -0.03 0.31 -0.23 0.00 -0.03 0.00 0.00 56.01 56.04 2kpj n LEU 68 Cb 0.12 -0.03 -0.12 0.00 -2.33 0.00 0.00 43.42 41.06 2kpj n LEU 68 CO 0.27 -0.11 -0.65 -0.38 -1.33 0.00 0.00 177.39 175.20 2kpj n ILE 69 N -2.69 1.55 -2.40 -0.08 5.41 0.13 -3.66 119.36 117.62 2kpj n ILE 69 Ca -0.02 -0.11 -0.33 0.00 1.00 0.00 0.00 62.75 63.29 2kpj n ILE 69 Cb 0.61 -2.00 -0.02 0.00 -0.71 0.00 0.00 39.64 37.51 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 -2.39 3.70 0.16 0.38 4.04 0.24 -4.71 118.70 120.12 2kpj s GLU 70 Ca -0.30 1.26 -0.30 0.00 0.04 0.00 0.00 54.97 55.67 2kpj s GLU 70 Cb 0.07 -2.09 -0.08 0.00 0.02 0.00 0.00 34.13 32.05 2kpj s GLU 70 CO 0.59 -0.50 1.32 0.34 -1.84 0.00 0.00 175.26 175.17 2kpj s ASP 71 N -2.33 6.90 0.00 0.83 2.15 -1.26 -4.92 116.67 118.04 2kpj s ASP 71 Ca 0.65 2.34 0.23 0.00 0.43 0.00 0.00 52.55 56.20 2kpj s ASP 71 Cb -0.15 -2.60 0.51 0.00 -0.30 0.00 0.00 42.92 40.38 2kpj s ASP 71 CO 0.25 -0.55 1.45 1.17 -0.17 0.00 0.00 175.17 177.32 2kpj n LYS 72 N 3.15 2.56 -0.58 4.34 3.00 -1.26 -4.32 118.16 125.05 2kpj n LYS 72 Ca 0.08 -2.38 -0.11 0.00 -0.00 0.00 0.00 58.31 55.90 2kpj n LYS 72 Cb 0.43 -1.53 0.08 0.00 0.00 0.00 0.00 35.03 34.00 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 1.52 1.58 -1.86 1.64 4.81 -1.26 -4.73 118.16 119.85 2kpj n LYS 73 Ca 0.21 -1.35 -0.42 0.00 -0.87 0.00 0.00 58.31 55.88 2kpj n LYS 73 Cb 0.61 -1.53 -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 1.28 1.17 0.00 0.00 177.40 179.85 2kpj n LEU 74 N -0.16 5.86 -3.67 3.14 4.77 -1.26 -4.81 117.00 120.87 2kpj n LEU 74 Ca 0.27 -3.87 -0.14 0.00 -0.03 0.00 0.00 56.01 52.23 2kpj n LEU 74 Cb 0.97 -1.61 -0.08 0.00 -2.33 0.00 0.00 43.42 40.37 2kpj n LEU 74 CO 0.28 0.55 0.21 0.21 -1.33 0.00 0.00 177.39 177.31 2kpj s ASN 75 N 3.84 -0.48 0.17 -1.43 3.84 -1.26 -5.14 114.94 114.47 2kpj s ASN 75 Ca 0.51 0.74 -0.31 0.00 0.21 0.00 0.00 52.86 54.00 2kpj s ASN 75 Cb 0.11 0.76 -0.10 0.00 -0.55 0.00 0.00 41.25 41.47 2kpj s ASN 75 CO -0.01 -0.34 1.53 -0.63 -2.79 0.00 0.00 177.10 174.85 2kpj s ILE 76 N -0.46 2.73 -0.30 -5.21 -1.09 -1.26 -4.98 121.20 110.63 2kpj s ILE 76 Ca -0.06 0.53 -0.08 0.00 -2.23 0.00 0.00 60.65 58.81 2kpj s ILE 76 Cb -0.03 -3.34 0.17 0.00 -1.58 0.00 0.00 42.46 37.68 2kpj s ILE 76 CO 0.04 0.05 0.83 -0.62 -1.23 0.00 0.00 174.94 174.00 2kpj s ASP 77 N 1.05 -0.90 0.27 3.58 2.15 -1.26 -5.16 116.67 116.41 2kpj s ASP 77 Ca 0.68 0.73 -0.29 0.00 0.43 0.00 0.00 52.55 54.10 2kpj s ASP 77 Cb -0.42 1.82 -0.09 0.00 -0.30 0.00 0.00 42.92 43.93 2kpj s ASP 77 CO 0.32 -0.17 1.04 0.28 -0.17 0.00 0.00 175.17 176.48 2kpj s THR 78 N 2.82 3.69 -0.50 1.71 -1.32 -1.26 -5.02 115.64 115.77 2kpj s THR 78 Ca 0.07 1.68 0.03 0.00 -1.21 0.00 0.00 61.69 62.26 2kpj s THR 78 Cb -0.12 -4.06 0.14 0.00 -1.51 0.00 0.00 72.50 66.96 2kpj s THR 78 CO -0.17 0.38 0.29 -0.69 -2.21 0.00 0.00 174.62 172.23 2kpj s VAL 79 N -1.20 1.84 -0.29 5.08 1.01 -1.26 -5.07 120.40 120.51 2kpj s VAL 79 Ca 0.44 -3.02 -0.28 0.00 0.00 0.00 0.00 61.98 59.12 2kpj s VAL 79 Cb -0.29 -2.27 -0.04 0.00 0.00 0.00 0.00 36.38 33.78 2kpj s VAL 79 CO 0.37 -0.92 2.08 -2.84 0.00 0.00 0.00 175.10 173.80 2kpj s PRO 80 N -0.12 3.11 0.07 2.72 0.02 -1.26 -4.95 135.00 134.59 2kpj s PRO 80 Ca 0.20 1.74 -0.30 0.00 0.02 0.00 0.00 61.00 62.66 2kpj s PRO 80 Cb -0.19 -4.33 -0.05 0.00 0.02 0.00 0.00 34.50 29.95 2kpj s PRO 80 CO -0.04 -2.13 1.05 0.42 -0.33 0.00 0.00 177.00 175.97 2kpj s ILE 81 N 8.13 4.43 -1.03 2.83 1.09 -1.26 -4.97 121.20 130.43 2kpj s ILE 81 Ca 0.92 1.84 -0.19 0.00 -1.10 0.00 0.00 60.65 62.13 2kpj s ILE 81 Cb -0.28 -4.18 0.12 0.00 -1.06 0.00 0.00 42.46 37.06 2kpj s ILE 81 CO 0.34 0.20 1.30 -1.61 -0.10 0.00 0.00 174.94 175.06 2kpj s GLU 82 N 0.60 3.71 -0.13 2.79 2.02 -1.26 -4.99 118.70 121.45 2kpj s GLU 82 Ca 0.52 -1.78 -0.29 0.00 0.02 0.00 0.00 54.97 53.43 2kpj s GLU 82 Cb -0.25 -5.09 -0.01 0.00 0.10 0.00 0.00 34.13 28.88 2kpj s GLU 82 CO 0.30 -1.90 1.15 0.45 0.02 0.00 0.00 175.26 175.27 2kpj s SER 83 N 3.83 7.06 0.00 -0.19 0.15 -1.26 -4.93 113.70 118.37 2kpj s SER 83 Ca 0.39 1.64 0.00 0.00 0.70 0.00 0.00 55.95 58.68 2kpj s SER 83 Cb -0.03 -2.55 0.00 0.00 -1.71 0.00 0.00 66.02 61.73 2kpj s SER 83 CO -0.07 -0.63 0.00 0.61 1.20 0.00 0.00 173.24 174.35 2kpj n GLY 84 N 3.38 -0.24 3.32 9.45 0.00 -1.26 -5.13 105.19 114.72 2kpj n GLY 84 Ca 0.12 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.01 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 -0.20 -0.25 -0.26 1.61 -0.85 -1.26 -5.15 117.35 110.99 2kpj s TYR 85 Ca 0.00 0.19 -0.04 0.00 -0.52 0.00 0.00 57.07 56.70 2kpj s TYR 85 Cb 0.00 0.22 0.01 0.00 0.38 0.00 0.00 41.96 42.57 2kpj s TYR 85 CO 0.00 -0.58 -0.01 0.95 -1.52 0.00 0.00 175.55 174.39 2kpj s THR 86 N -2.59 3.31 -0.01 -3.49 -4.23 -1.26 -5.09 115.64 102.27 2kpj s THR 86 Ca -0.05 -0.83 -0.21 0.00 -1.18 0.00 0.00 61.69 59.43 2kpj s THR 86 Cb -0.01 -2.66 -0.05 0.00 1.34 0.00 0.00 72.50 71.12 2kpj s THR 86 CO -0.03 0.20 0.61 -0.76 -0.54 0.00 0.00 174.62 174.09 2kpj s LEU 87 N 1.41 4.40 0.27 4.79 1.43 -1.26 -5.04 118.68 124.68 2kpj s LEU 87 Ca 0.02 1.16 -0.29 0.00 -1.03 0.00 0.00 54.13 53.99 2kpj s LEU 87 Cb -0.16 -2.94 -0.10 0.00 0.03 0.00 0.00 46.19 43.02 2kpj s LEU 87 CO -0.02 0.07 1.23 -1.83 0.23 0.00 0.00 176.35 176.03 2kpj s GLU 88 N -0.05 4.46 -1.01 1.70 -1.05 -1.26 -4.96 118.70 116.54 2kpj s GLU 88 Ca 0.32 2.02 -0.13 0.00 -0.15 0.00 0.00 54.97 57.03 2kpj s GLU 88 Cb -0.18 -3.15 0.22 0.00 -0.44 0.00 0.00 34.13 30.58 2kpj s GLU 88 CO 0.17 -0.07 1.04 -1.01 0.95 0.00 0.00 175.26 176.35 2kpj s HIS 89 N -0.78 3.85 -0.26 4.83 3.76 -1.26 -4.81 115.29 120.62 2kpj s HIS 89 Ca 0.50 -2.21 -0.03 0.00 -0.15 0.00 0.00 55.06 53.16 2kpj s HIS 89 Cb -0.36 -3.96 0.00 0.00 1.11 0.00 0.00 32.58 29.38 2kpj s HIS 89 CO 0.45 -1.10 0.09 1.58 -0.85 0.00 0.00 174.74 174.91 2kpj n HIS 90 N 4.04 -3.06 -0.02 1.40 -0.00 -1.26 -4.96 115.22 111.35 2kpj n HIS 90 Ca 0.22 1.34 -0.16 0.00 0.46 0.00 0.00 57.72 59.58 2kpj n HIS 90 Cb 0.44 -3.31 -0.14 0.00 -0.12 0.00 0.00 29.99 26.86 2kpj n HIS 90 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52 2kpj n HIS 91 N 0.69 1.00 0.00 1.57 -0.00 -1.26 -4.98 115.22 112.24 2kpj n HIS 91 Ca 0.01 0.26 0.00 0.00 -0.00 0.00 0.00 57.72 57.99 2kpj n HIS 91 Cb 0.18 -1.15 0.00 0.00 -0.00 0.00 0.00 29.99 29.02 2kpj n HIS 91 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2kpj n HIS 92 N -3.27 0.00 -2.10 4.41 8.25 -1.26 -0.80 115.22 120.45 2kpj n HIS 92 Ca -0.28 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.19 2kpj n HIS 92 Cb 1.05 0.00 0.00 0.00 1.12 0.00 0.00 29.99 32.16 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 0.00 -1.46 4.41 1.44 -1.26 -5.30 115.22 113.05 2kpj n HIS 93 Ca 0.00 -0.12 0.00 0.00 -2.01 0.00 0.00 57.72 55.59 2kpj n HIS 93 Cb 0.00 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.11 2kpj n HIS 93 CO 0.00 0.00 0.00 -2.39 -2.81 0.00 0.00 176.34 171.14