#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 0.22 -0.11 2.03 -7.23 -1.26 -4.85 120.40 109.20 2kpj s VAL 2 Ca 0.00 0.01 -0.08 0.00 -1.81 0.00 0.00 61.98 60.10 2kpj s VAL 2 Cb 0.00 -0.27 0.03 0.00 0.56 0.00 0.00 36.38 36.70 2kpj s VAL 2 CO 0.00 0.13 0.16 0.29 -0.31 0.00 0.00 175.10 175.37 2kpj n LYS 3 N 3.80 -4.46 -2.08 4.82 5.02 -1.26 -4.46 118.16 119.53 2kpj n LYS 3 Ca -0.23 3.35 -0.09 0.00 -2.02 0.00 0.00 58.31 59.32 2kpj n LYS 3 Cb 0.53 -4.66 -0.01 0.00 -0.02 0.00 0.00 35.03 30.87 2kpj n LYS 3 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 2kpj n ASP 4 N 1.62 -3.17 0.23 4.39 2.03 -1.26 -4.21 116.55 116.18 2kpj n ASP 4 Ca -0.27 0.01 0.10 0.00 0.52 0.00 0.00 54.79 55.15 2kpj n ASP 4 Cb 0.42 -2.37 0.51 0.00 -0.72 0.00 0.00 41.12 38.96 2kpj n ASP 4 CO 0.00 0.00 0.00 0.07 -1.92 0.00 0.00 177.20 175.35 2kpj h LYS 5 N 0.00 0.00 -0.97 -0.67 2.10 -1.89 -2.79 116.57 112.34 2kpj h LYS 5 Ca -0.21 0.00 0.01 0.00 -2.00 0.00 0.00 60.65 58.45 2kpj h LYS 5 Cb 1.10 0.00 -0.05 0.00 -0.90 0.00 0.00 32.23 32.38 2kpj h LYS 5 CO 0.25 0.22 0.64 0.37 -2.00 0.00 0.00 179.45 178.92 2kpj h GLN 6 N 0.00 1.28 0.00 0.07 -0.00 -1.96 -0.24 115.11 114.26 2kpj h GLN 6 Ca -0.00 -0.08 -0.08 0.00 -0.00 0.00 0.00 58.65 58.48 2kpj h GLN 6 Cb 0.67 -0.29 -0.01 0.00 0.00 0.00 0.00 27.48 27.85 2kpj h GLN 6 CO 0.03 0.85 -0.40 0.87 0.00 0.00 0.00 178.83 180.18 2kpj h LYS 7 N 1.32 0.00 -0.01 1.69 1.57 -1.84 -1.57 116.57 117.73 2kpj h LYS 7 Ca 0.35 0.00 -0.24 0.00 -1.87 0.00 0.00 60.65 58.89 2kpj h LYS 7 Cb -0.14 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.18 2kpj h LYS 7 CO -0.08 0.40 -0.98 0.00 -0.57 0.00 0.00 179.45 178.23 2kpj h ALA 8 N 1.60 0.26 0.11 3.86 0.00 -1.31 -2.68 119.26 121.10 2kpj h ALA 8 Ca -0.00 -0.70 -0.01 0.00 0.00 0.00 0.00 54.91 54.20 2kpj h ALA 8 Cb 0.90 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.70 2kpj h ALA 8 CO 0.05 0.75 -0.05 0.82 0.00 0.00 0.00 179.25 180.82 2kpj h ILE 9 N 0.32 1.05 -0.41 0.00 2.04 -0.90 -2.16 117.51 117.45 2kpj h ILE 9 Ca -0.10 -0.68 0.07 0.00 1.00 0.00 0.00 64.86 65.15 2kpj h ILE 9 Cb 1.62 1.48 -0.06 0.00 -0.74 0.00 0.00 36.82 39.12 2kpj h ILE 9 CO 0.18 0.16 0.04 0.15 0.00 0.00 0.00 178.15 178.68 2kpj h PHE 10 N -0.47 0.05 -0.17 1.37 3.57 -1.38 -1.93 116.94 117.98 2kpj h PHE 10 Ca -0.02 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.48 2kpj h PHE 10 Cb 0.38 0.04 -0.01 0.00 2.79 0.00 0.00 35.95 39.16 2kpj h PHE 10 CO 0.03 -0.04 -0.03 0.66 -2.23 0.00 0.00 178.31 176.70 2kpj h SER 11 N 0.15 0.33 -0.92 0.41 4.64 -1.51 -1.22 113.55 115.43 2kpj h SER 11 Ca 0.20 -0.35 0.07 0.00 -0.47 0.00 0.00 61.79 61.24 2kpj h SER 11 Cb 0.27 -0.09 -0.07 0.00 -0.31 0.00 0.00 62.40 62.21 2kpj h SER 11 CO -0.30 0.60 0.57 -0.08 -0.87 0.00 0.00 176.83 176.75 2kpj h GLU 12 N 0.05 0.99 0.26 4.77 4.57 -1.15 0.59 114.58 124.66 2kpj h GLU 12 Ca 0.05 -0.06 -0.01 0.00 -1.18 0.00 0.00 59.36 58.15 2kpj h GLU 12 Cb 0.45 -0.22 0.00 0.00 -0.16 0.00 0.00 28.75 28.82 2kpj h GLU 12 CO 0.01 0.66 -0.12 -0.91 -1.18 0.00 0.00 179.01 177.47 2kpj h ASN 13 N 1.02 -0.29 -0.99 1.04 2.35 -1.24 -2.74 115.58 114.73 2kpj h ASN 13 Ca 0.41 -0.19 0.05 0.00 -0.55 0.00 0.00 56.30 56.01 2kpj h ASN 13 Cb 0.23 0.08 -0.06 0.00 0.05 0.00 0.00 38.32 38.61 2kpj h ASN 13 CO -0.19 0.05 0.64 0.25 -1.65 0.00 0.00 177.43 176.53 2kpj h LEU 14 N -0.67 1.06 -0.97 1.61 5.85 -0.78 -1.41 115.31 120.01 2kpj h LEU 14 Ca -0.04 -0.01 0.09 0.00 0.84 0.00 0.00 57.88 58.77 2kpj h LEU 14 Cb 0.47 -0.24 -0.07 0.00 0.37 0.00 0.00 40.66 41.19 2kpj h LEU 14 CO 0.06 0.71 0.61 -1.13 -0.34 0.00 0.00 178.44 178.35 2kpj h ASN 15 N 1.22 0.94 -0.46 1.25 -0.73 0.21 -0.43 115.58 117.57 2kpj h ASN 15 Ca 0.40 0.03 -0.07 0.00 1.87 0.00 0.00 56.30 58.53 2kpj h ASN 15 Cb 0.05 -0.17 -0.02 0.00 0.27 0.00 0.00 38.32 38.46 2kpj h ASN 15 CO -0.14 0.56 0.03 -1.28 -0.37 0.00 0.00 177.43 176.24 2kpj h SER 16 N 1.05 0.78 -0.60 1.15 0.87 -0.95 0.15 113.55 116.00 2kpj h SER 16 Ca 0.45 -0.29 -0.08 0.00 -1.23 0.00 0.00 61.79 60.64 2kpj h SER 16 Cb 0.30 -0.21 -0.03 0.00 -0.44 0.00 0.00 62.40 62.03 2kpj h SER 16 CO -0.21 0.87 0.09 1.88 -0.53 0.00 0.00 176.83 178.93 2kpj h TYR 17 N 0.65 1.09 -0.24 2.24 -1.99 -1.04 -1.28 116.97 116.39 2kpj h TYR 17 Ca 0.13 -0.15 -0.15 0.00 2.00 0.00 0.00 58.73 60.57 2kpj h TYR 17 Cb 0.46 -0.30 0.00 0.00 2.00 0.00 0.00 36.73 38.89 2kpj h TYR 17 CO 0.03 0.92 -0.44 0.82 -0.00 0.00 0.00 178.16 179.50 2kpj h ILE 18 N 0.96 1.30 0.00 -2.88 2.04 -0.88 -2.56 117.51 115.49 2kpj h ILE 18 Ca 0.19 -1.65 -0.07 0.00 1.00 0.00 0.00 64.86 64.33 2kpj h ILE 18 Cb 0.44 1.74 -0.01 0.00 -0.74 0.00 0.00 36.82 38.25 2kpj h ILE 18 CO 0.01 0.52 -0.35 0.00 0.00 0.00 0.00 178.15 178.34 2kpj h ALA 19 N 0.64 1.39 -0.03 1.87 0.00 -0.59 -2.17 119.26 120.38 2kpj h ALA 19 Ca 0.01 -0.32 -0.14 0.00 0.00 0.00 0.00 54.91 54.47 2kpj h ALA 19 Cb 1.04 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.76 2kpj h ALA 19 CO 0.10 0.43 -0.60 -0.22 0.00 0.00 0.00 179.25 178.96 2kpj h LYS 20 N 0.00 0.11 -6.96 0.00 3.64 -1.16 -3.45 116.57 108.75 2kpj h LYS 20 Ca -0.00 -0.07 -0.52 0.00 -1.27 0.00 0.00 60.65 58.78 2kpj h LYS 20 Cb 0.63 0.01 0.07 0.00 -0.41 0.00 0.00 32.23 32.53 2kpj h LYS 20 CO 0.05 0.68 0.56 0.45 -2.27 0.00 0.00 179.45 178.91 2kpj s SER 21 N -6.87 6.29 0.00 4.20 0.15 -0.82 -4.92 113.70 111.74 2kpj s SER 21 Ca -0.03 2.52 0.29 0.00 0.70 0.00 0.00 55.95 59.43 2kpj s SER 21 Cb 0.12 -2.63 1.21 0.00 -1.71 0.00 0.00 66.02 63.02 2kpj s SER 21 CO 0.78 -0.85 1.83 -0.62 1.20 0.00 0.00 173.24 175.58 2kpj n GLU 22 N -0.03 1.49 -2.01 5.44 -0.58 -1.26 -4.92 120.64 118.77 2kpj n GLU 22 Ca 0.05 -0.75 -0.18 0.00 -0.42 0.00 0.00 57.16 55.85 2kpj n GLU 22 Cb 0.45 -1.48 0.10 0.00 -0.57 0.00 0.00 31.44 29.94 2kpj n GLU 22 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 2kpj n LYS 23 N -0.10 -0.08 -4.02 3.49 4.76 -1.26 -5.10 118.16 115.85 2kpj n LYS 23 Ca 0.20 -2.00 -0.30 0.00 -2.87 0.00 0.00 58.31 53.34 2kpj n LYS 23 Cb 0.31 -0.58 -0.06 0.00 -1.84 0.00 0.00 35.03 32.86 2kpj n LYS 23 CO 0.00 0.00 0.00 0.99 -1.37 0.00 0.00 177.40 177.02 2kpj s THR 24 N -2.42 4.74 0.16 -0.18 2.01 -1.26 -5.02 115.64 113.67 2kpj s THR 24 Ca 0.51 -0.74 -0.11 0.00 0.31 0.00 0.00 61.69 61.66 2kpj s THR 24 Cb -0.03 -3.32 0.03 0.00 0.01 0.00 0.00 72.50 69.20 2kpj s THR 24 CO 0.34 0.08 1.61 1.56 -0.69 0.00 0.00 174.62 177.53 2kpj h GLN 25 N 3.06 0.92 -0.42 4.92 4.20 -1.99 0.07 115.11 125.88 2kpj h GLN 25 Ca -0.47 -0.29 0.05 0.00 0.06 0.00 0.00 58.65 58.00 2kpj h GLN 25 Cb 1.17 -0.08 -0.05 0.00 0.30 0.00 0.00 27.48 28.82 2kpj h GLN 25 CO 0.68 0.94 0.14 1.25 -0.67 0.00 0.00 178.83 181.17 2kpj h LEU 26 N 0.80 0.13 -0.64 1.46 6.46 -1.95 0.44 115.31 122.01 2kpj h LEU 26 Ca 0.15 0.05 -0.00 0.00 -0.12 0.00 0.00 57.88 57.95 2kpj h LEU 26 Cb 0.52 0.04 -0.03 0.00 -0.73 0.00 0.00 40.66 40.46 2kpj h LEU 26 CO 0.03 0.11 0.38 -0.08 -0.62 0.00 0.00 178.44 178.26 2kpj h GLU 27 N 0.30 0.87 0.28 1.25 4.81 -1.86 0.20 114.58 120.43 2kpj h GLU 27 Ca 0.19 -0.08 -0.01 0.00 -0.13 0.00 0.00 59.36 59.33 2kpj h GLU 27 Cb 0.19 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 29.39 2kpj h GLU 27 CO -0.21 0.63 -0.14 0.82 -0.73 0.00 0.00 179.01 179.38 2kpj h ILE 28 N 0.86 0.76 -0.79 2.32 2.04 -0.62 -2.68 117.51 119.41 2kpj h ILE 28 Ca 0.23 -0.42 0.00 0.00 1.00 0.00 0.00 64.86 65.67 2kpj h ILE 28 Cb -0.01 0.99 -0.04 0.00 -0.74 0.00 0.00 36.82 37.01 2kpj h ILE 28 CO -0.04 0.09 0.51 0.00 0.00 0.00 0.00 178.15 178.70 2kpj h ALA 29 N 0.04 1.00 -0.92 1.87 0.00 -0.72 -1.35 119.26 119.17 2kpj h ALA 29 Ca -0.04 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 2kpj h ALA 29 Cb 0.44 -0.32 -0.04 0.00 0.00 0.00 0.00 17.79 17.86 2kpj h ALA 29 CO 0.06 0.43 0.55 -0.22 0.00 0.00 0.00 179.25 180.07 2kpj h LYS 30 N 1.07 1.25 0.00 0.00 3.11 -0.63 -0.02 116.57 121.35 2kpj h LYS 30 Ca 0.29 -0.12 -0.10 0.00 -2.81 0.00 0.00 60.65 57.91 2kpj h LYS 30 Cb -0.10 -0.26 -0.01 0.00 -1.00 0.00 0.00 32.23 30.85 2kpj h LYS 30 CO -0.06 0.88 -0.48 0.77 -2.81 0.00 0.00 179.45 177.75 2kpj h SER 31 N 1.27 0.00 -0.18 4.20 0.02 -1.03 -3.03 113.55 114.80 2kpj h SER 31 Ca 0.33 0.00 -0.09 0.00 -0.84 0.00 0.00 61.79 61.19 2kpj h SER 31 Cb -0.05 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.49 2kpj h SER 31 CO -0.06 0.48 -0.22 0.40 -1.14 0.00 0.00 176.83 176.29 2kpj h ILE 32 N 0.00 1.34 0.00 3.27 1.08 -0.17 -3.48 117.51 119.55 2kpj h ILE 32 Ca -0.00 -1.42 0.00 0.00 -0.39 0.00 0.00 64.86 63.05 2kpj h ILE 32 Cb 0.98 1.84 0.00 0.00 -3.07 0.00 0.00 36.82 36.57 2kpj h ILE 32 CO 0.06 0.43 0.00 0.61 -0.69 0.00 0.00 178.15 178.56 2kpj n GLY 33 N 0.26 1.89 3.45 5.37 0.00 -0.13 -5.05 105.19 110.99 2kpj n GLY 33 Ca -0.06 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.75 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 1.20 0.27 1.61 -7.23 -0.79 -5.03 120.40 108.43 2kpj s VAL 34 Ca 0.00 -2.00 -0.23 0.00 -1.81 0.00 0.00 61.98 57.94 2kpj s VAL 34 Cb 0.00 -2.79 -0.09 0.00 0.56 0.00 0.00 36.38 34.06 2kpj s VAL 34 CO 0.00 -0.01 0.83 -0.44 -0.31 0.00 0.00 175.10 175.17 2kpj s SER 35 N -3.49 7.20 0.54 4.85 0.01 -1.26 -3.66 113.70 117.90 2kpj s SER 35 Ca 0.36 1.63 0.22 0.00 1.31 0.00 0.00 55.95 59.47 2kpj s SER 35 Cb 0.09 -2.50 1.43 0.00 0.21 0.00 0.00 66.02 65.25 2kpj s SER 35 CO 0.15 -0.01 2.12 1.55 0.41 0.00 0.00 173.24 177.46 2kpj h PRO 36 N 3.32 0.00 -0.98 12.44 0.13 -1.88 -0.35 132.00 144.68 2kpj h PRO 36 Ca -0.47 0.00 0.03 0.00 -0.87 0.00 0.00 66.00 64.68 2kpj h PRO 36 Cb 1.19 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.27 2kpj h PRO 36 CO 0.65 0.00 0.64 1.96 -0.23 0.00 0.00 178.00 181.03 2kpj h GLN 37 N 0.00 1.23 0.12 0.86 7.50 -1.97 -0.05 115.11 122.81 2kpj h GLN 37 Ca 0.08 -0.07 -0.28 0.00 0.50 0.00 0.00 58.65 58.87 2kpj h GLN 37 Cb 0.33 -0.28 0.02 0.00 0.05 0.00 0.00 27.48 27.60 2kpj h GLN 37 CO -0.00 0.82 -1.23 1.15 -1.50 0.00 0.00 178.83 178.07 2kpj h THR 38 N 1.27 1.37 -0.62 -0.54 2.02 -1.50 -3.25 112.91 111.67 2kpj h THR 38 Ca 0.38 -2.68 -0.02 0.00 0.77 0.00 0.00 66.41 64.86 2kpj h THR 38 Cb -0.06 2.77 -0.03 0.00 -1.74 0.00 0.00 68.15 69.10 2kpj h THR 38 CO -0.10 0.80 0.29 0.15 0.37 0.00 0.00 175.52 177.03 2kpj h PHE 39 N 0.19 0.87 -0.70 3.16 3.57 -0.88 -2.48 116.94 120.67 2kpj h PHE 39 Ca -0.16 -0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.30 2kpj h PHE 39 Cb 1.91 -0.27 -0.03 0.00 2.79 0.00 0.00 35.95 40.34 2kpj h PHE 39 CO 0.09 0.64 0.41 -0.97 -2.23 0.00 0.00 178.31 176.26 2kpj h ASN 40 N 0.88 0.85 0.70 0.41 -1.24 -1.04 -1.53 115.58 114.60 2kpj h ASN 40 Ca 0.22 -0.07 -0.05 0.00 0.71 0.00 0.00 56.30 57.10 2kpj h ASN 40 Cb 0.10 -0.22 -0.01 0.00 0.73 0.00 0.00 38.32 38.93 2kpj h ASN 40 CO -0.03 0.68 -0.23 0.71 -1.29 0.00 0.00 177.43 177.27 2kpj h THR 41 N 0.96 0.65 -0.13 -3.57 1.35 -1.49 -0.80 112.91 109.87 2kpj h THR 41 Ca 0.25 -1.01 -0.16 0.00 -0.55 0.00 0.00 66.41 64.93 2kpj h THR 41 Cb -0.01 1.66 0.01 0.00 -1.73 0.00 0.00 68.15 68.07 2kpj h THR 41 CO -0.04 0.22 -0.54 -0.50 -0.25 0.00 0.00 175.52 174.40 2kpj h TRP 42 N 0.00 0.80 0.00 4.73 6.55 -1.16 0.21 115.95 127.09 2kpj h TRP 42 Ca -0.00 -0.34 -0.08 0.00 0.95 0.00 0.00 58.89 59.42 2kpj h TRP 42 Cb 0.64 -0.13 -0.01 0.00 -0.86 0.00 0.00 29.16 28.80 2kpj h TRP 42 CO 0.00 1.13 -0.37 0.00 -1.05 0.00 0.00 178.44 178.15 2kpj n LYS 44 N -4.04 1.62 -1.06 0.00 5.02 -0.36 -4.68 118.16 114.66 2kpj n LYS 44 Ca -0.02 -0.91 -0.02 0.00 -2.02 0.00 0.00 58.31 55.34 2kpj n LYS 44 Cb 0.41 -1.47 -0.01 0.00 -0.02 0.00 0.00 35.03 33.94 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 1.15 0.52 0.17 0.72 0.00 -0.63 -4.90 105.19 102.23 2kpj n GLY 45 Ca 0.19 -0.27 -0.11 0.00 0.00 0.00 0.00 46.02 45.83 2kpj n GLY 45 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2kpj h ILE 46 N 0.00 1.27 -4.05 -0.61 2.04 -0.82 -3.43 117.51 111.91 2kpj h ILE 46 Ca -0.04 -1.03 -0.11 0.00 1.00 0.00 0.00 64.86 64.68 2kpj h ILE 46 Cb 0.32 1.38 -0.14 0.00 -0.74 0.00 0.00 36.82 37.64 2kpj h ILE 46 CO 0.06 0.33 -0.53 0.00 0.00 0.00 0.00 178.15 178.01 2kpj s ALA 47 N -4.85 0.20 -0.07 1.87 0.00 -0.99 -5.02 121.76 112.89 2kpj s ALA 47 Ca -0.13 -0.96 0.05 0.00 0.00 0.00 0.00 51.96 50.91 2kpj s ALA 47 Cb 0.08 0.42 -0.01 0.00 0.00 0.00 0.00 23.12 23.61 2kpj s ALA 47 CO 0.77 -0.45 -0.22 0.42 0.00 0.00 0.00 175.76 176.28 2kpj s ILE 48 N -3.90 2.32 0.95 0.00 1.01 -1.26 -4.07 121.20 116.25 2kpj s ILE 48 Ca 0.08 -0.96 -0.12 0.00 0.00 0.00 0.00 60.65 59.64 2kpj s ILE 48 Cb 0.06 -1.88 0.16 0.00 0.01 0.00 0.00 42.46 40.82 2kpj s ILE 48 CO -0.09 0.56 1.11 -2.16 0.00 0.00 0.00 174.94 174.36 2kpj s PRO 49 N -0.09 0.80 0.79 2.79 0.04 -1.26 -5.07 135.00 132.99 2kpj s PRO 49 Ca -0.05 0.43 -0.07 0.00 0.04 0.00 0.00 61.00 61.35 2kpj s PRO 49 Cb -0.14 -1.79 0.13 0.00 0.04 0.00 0.00 34.50 32.74 2kpj s PRO 49 CO 0.04 -2.46 1.09 1.03 0.04 0.00 0.00 177.00 176.75 2kpj s ARG 50 N -5.11 1.48 0.21 4.56 0.52 -1.26 -4.72 118.95 114.63 2kpj s ARG 50 Ca 0.64 -0.71 -0.11 0.00 -0.52 0.00 0.00 55.73 55.04 2kpj s ARG 50 Cb -0.17 -2.15 0.28 0.00 0.52 0.00 0.00 34.95 33.43 2kpj s ARG 50 CO 0.56 -1.69 1.68 1.98 0.02 0.00 0.00 175.30 177.85 2kpj h MET 51 N -0.87 0.15 -0.11 3.54 1.85 -1.98 0.70 114.93 118.21 2kpj h MET 51 Ca -0.41 -0.01 0.03 0.00 -0.61 0.00 0.00 59.70 58.71 2kpj h MET 51 Cb 1.27 -0.03 -0.00 0.00 0.43 0.00 0.00 31.60 33.26 2kpj h MET 51 CO 0.44 0.10 0.09 0.78 -0.40 0.00 0.00 176.91 177.92 2kpj h GLY 52 N 0.16 0.00 0.74 1.39 0.00 -1.99 0.13 103.07 103.50 2kpj h GLY 52 Ca 0.31 0.00 -0.35 0.00 0.00 0.00 0.00 47.33 47.29 2kpj h GLY 52 CO -0.47 0.00 -1.90 0.50 0.00 0.00 0.00 176.54 174.67 2kpj h LYS 53 N 0.00 0.25 -0.69 4.80 6.56 -1.32 -3.23 116.57 122.94 2kpj h LYS 53 Ca 0.05 -0.44 -0.01 0.00 -1.06 0.00 0.00 60.65 59.19 2kpj h LYS 53 Cb 0.22 0.16 -0.03 0.00 -0.57 0.00 0.00 32.23 32.01 2kpj h LYS 53 CO -0.00 1.14 0.38 0.28 -2.06 0.00 0.00 179.45 179.19 2kpj h VAL 54 N 0.07 1.21 -0.24 0.50 2.07 -0.21 -0.31 116.25 119.34 2kpj h VAL 54 Ca -0.38 -0.53 -0.06 0.00 0.82 0.00 0.00 66.70 66.55 2kpj h VAL 54 Cb 2.04 0.30 -0.01 0.00 -1.52 0.00 0.00 31.29 32.10 2kpj h VAL 54 CO 0.11 0.23 -0.12 1.56 0.02 0.00 0.00 177.57 179.37 2kpj h GLN 55 N 0.95 0.40 -0.35 1.57 1.08 -0.92 0.10 115.11 117.94 2kpj h GLN 55 Ca 0.24 -0.10 -0.11 0.00 -1.45 0.00 0.00 58.65 57.23 2kpj h GLN 55 Cb 0.03 -0.05 -0.01 0.00 -0.05 0.00 0.00 27.48 27.40 2kpj h GLN 55 CO -0.04 0.52 -0.21 0.00 -0.95 0.00 0.00 178.83 178.15 2kpj h ALA 56 N 1.51 0.50 -0.10 3.87 0.00 -1.41 -0.76 119.26 122.88 2kpj h ALA 56 Ca 0.07 -0.37 -0.01 0.00 0.00 0.00 0.00 54.91 54.61 2kpj h ALA 56 Cb 0.44 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.11 2kpj h ALA 56 CO 0.02 0.46 0.04 -0.07 0.00 0.00 0.00 179.25 179.70 2kpj h LEU 57 N 0.55 0.14 -1.60 0.00 3.38 -0.61 0.15 115.31 117.31 2kpj h LEU 57 Ca 0.07 -0.18 -0.03 0.00 0.09 0.00 0.00 57.88 57.83 2kpj h LEU 57 Cb 0.77 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.48 2kpj h LEU 57 CO 0.06 0.28 -0.12 0.00 0.09 0.00 0.00 178.44 178.75 2kpj h ALA 58 N 0.87 1.68 0.13 1.53 0.00 -0.78 -2.24 119.26 120.44 2kpj h ALA 58 Ca 0.03 -0.15 -0.28 0.00 0.00 0.00 0.00 54.91 54.52 2kpj h ALA 58 Cb 0.18 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 17.93 2kpj h ALA 58 CO -0.00 0.24 -1.24 0.22 0.00 0.00 0.00 179.25 178.47 2kpj h ASP 59 N 0.10 0.51 -0.92 0.00 3.58 -0.89 0.34 116.42 119.13 2kpj h ASP 59 Ca 0.02 -0.53 0.04 0.00 0.42 0.00 0.00 57.03 56.99 2kpj h ASP 59 Cb 0.27 -0.17 -0.06 0.00 1.72 0.00 0.00 39.33 41.10 2kpj h ASP 59 CO 0.02 1.39 0.60 0.22 -2.88 0.00 0.00 179.24 178.59 2kpj h TYR 60 N 0.11 1.12 -0.01 0.28 3.20 -0.12 -1.37 116.97 120.18 2kpj h TYR 60 Ca -0.15 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.75 2kpj h TYR 60 Cb 1.94 -0.37 0.00 0.00 1.54 0.00 0.00 36.73 39.85 2kpj h TYR 60 CO 0.07 0.62 -0.49 1.19 -1.64 0.00 0.00 178.16 177.92 2kpj n PHE 61 N -4.52 0.00 -3.28 -3.82 3.72 -1.01 -4.99 117.46 103.56 2kpj n PHE 61 Ca 0.12 0.00 -0.09 0.00 -0.05 0.00 0.00 57.45 57.43 2kpj n PHE 61 Cb 0.12 -0.10 0.01 0.00 -0.94 0.00 0.00 39.48 38.57 2kpj n PHE 61 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 176.76 175.00 2kpj n ASN 62 N -0.85 -6.89 -2.22 4.37 5.15 -0.52 -5.05 115.26 109.26 2kpj n ASN 62 Ca 0.09 -0.41 -0.10 0.00 -0.60 0.00 0.00 54.58 53.55 2kpj n ASN 62 Cb 0.37 -4.46 -0.04 0.00 -0.53 0.00 0.00 39.78 35.12 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 -2.35 0.00 -3.59 -1.44 -5.35 0.11 -5.01 119.36 101.73 2kpj n ILE 63 Ca -0.08 -1.27 -0.24 0.00 -0.27 0.00 0.00 62.75 60.90 2kpj n ILE 63 Cb 0.56 0.62 0.02 0.00 -1.74 0.00 0.00 39.64 39.09 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 -2.22 4.79 0.25 7.28 0.01 -1.26 -4.61 114.94 119.18 2kpj s ASN 64 Ca 0.20 -1.12 -0.00 0.00 -0.71 0.00 0.00 52.86 51.23 2kpj s ASN 64 Cb 0.01 0.39 0.31 0.00 0.41 0.00 0.00 41.25 42.37 2kpj s ASN 64 CO 0.14 -1.20 1.67 0.07 -1.51 0.00 0.00 177.10 176.28 2kpj h LYS 65 N 0.54 0.59 -0.79 -0.60 2.10 -1.97 -3.18 116.57 113.27 2kpj h LYS 65 Ca -0.34 -0.24 -0.00 0.00 -2.00 0.00 0.00 60.65 58.07 2kpj h LYS 65 Cb 1.30 -0.03 -0.04 0.00 -0.90 0.00 0.00 32.23 32.56 2kpj h LYS 65 CO 0.51 0.79 0.49 0.77 -2.00 0.00 0.00 179.45 180.01 2kpj h SER 66 N 0.51 0.93 -0.62 7.07 0.02 -1.97 -1.72 113.55 117.78 2kpj h SER 66 Ca 0.07 -0.05 0.09 0.00 -0.84 0.00 0.00 61.79 61.06 2kpj h SER 66 Cb 0.72 -0.23 -0.04 0.00 0.14 0.00 0.00 62.40 62.99 2kpj h SER 66 CO 0.06 0.71 0.41 0.44 -1.14 0.00 0.00 176.83 177.30 2kpj h ASP 67 N 1.08 0.44 0.31 3.07 5.19 -1.90 0.11 116.42 124.72 2kpj h ASP 67 Ca 0.28 0.01 -0.29 0.00 -0.62 0.00 0.00 57.03 56.42 2kpj h ASP 67 Cb -0.06 -0.09 -0.05 0.00 0.18 0.00 0.00 39.33 39.31 2kpj h ASP 67 CO -0.06 0.27 -1.94 0.18 -3.12 0.00 0.00 179.24 174.58 2kpj n LEU 68 N -4.48 0.48 0.02 1.55 4.77 -0.96 -4.54 117.00 113.85 2kpj n LEU 68 Ca 0.10 0.23 -0.18 0.00 -0.03 0.00 0.00 56.01 56.12 2kpj n LEU 68 Cb 0.32 0.27 -0.14 0.00 -2.33 0.00 0.00 43.42 41.54 2kpj n LEU 68 CO 0.34 0.37 -0.61 0.40 -1.33 0.00 0.00 177.39 176.56 2kpj h ILE 69 N 0.00 0.83 -4.00 -0.08 1.08 -0.72 -3.34 117.51 111.28 2kpj h ILE 69 Ca -0.35 -2.54 -0.47 0.00 -0.39 0.00 0.00 64.86 61.11 2kpj h ILE 69 Cb 1.98 2.59 0.01 0.00 -3.07 0.00 0.00 36.82 38.33 2kpj h ILE 69 CO 0.05 0.80 0.39 -1.61 -0.69 0.00 0.00 178.15 177.09 2kpj s GLU 70 N -2.58 4.09 0.79 2.37 0.41 0.33 -4.72 118.70 119.39 2kpj s GLU 70 Ca -0.15 1.39 -0.12 0.00 -0.41 0.00 0.00 54.97 55.68 2kpj s GLU 70 Cb 0.07 -2.37 0.06 0.00 -1.78 0.00 0.00 34.13 30.11 2kpj s GLU 70 CO 0.81 -0.18 1.14 0.34 -0.49 0.00 0.00 175.26 176.88 2kpj s ASP 71 N -1.79 4.70 -0.00 -0.19 2.15 -1.26 -4.91 116.67 115.37 2kpj s ASP 71 Ca 0.61 0.95 0.00 0.00 0.43 0.00 0.00 52.55 54.54 2kpj s ASP 71 Cb -0.18 -1.56 0.00 0.00 -0.30 0.00 0.00 42.92 40.88 2kpj s ASP 71 CO 0.23 -1.80 0.95 2.29 -0.17 0.00 0.00 175.17 176.67 2kpj n LYS 72 N -3.28 1.00 -0.91 4.34 2.85 -1.26 -4.17 118.16 116.74 2kpj n LYS 72 Ca 0.07 -0.01 -0.12 0.00 -1.05 0.00 0.00 58.31 57.21 2kpj n LYS 72 Cb 0.59 -1.05 -0.04 0.00 -0.65 0.00 0.00 35.03 33.88 2kpj n LYS 72 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 2kpj n LYS 73 N 0.45 1.71 -2.21 -1.58 4.76 -1.26 -4.84 118.16 115.19 2kpj n LYS 73 Ca 0.00 -1.09 -0.41 0.00 -2.87 0.00 0.00 58.31 53.95 2kpj n LYS 73 Cb 0.48 -1.62 -0.01 0.00 -1.84 0.00 0.00 35.03 32.04 2kpj n LYS 73 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 2kpj n LEU 74 N 1.32 5.09 -1.87 -0.35 4.77 -1.26 -4.66 117.00 120.04 2kpj n LEU 74 Ca 0.27 -3.80 -0.18 0.00 -0.03 0.00 0.00 56.01 52.27 2kpj n LEU 74 Cb 0.63 -1.69 0.10 0.00 -2.33 0.00 0.00 43.42 40.13 2kpj n LEU 74 CO 0.19 0.07 1.10 -3.20 -1.33 0.00 0.00 177.39 174.22 2kpj n ASN 75 N 8.63 4.57 -4.90 -1.43 2.85 -1.26 -4.62 115.26 119.09 2kpj n ASN 75 Ca 0.49 -3.13 -0.29 0.00 -0.11 0.00 0.00 54.58 51.55 2kpj n ASN 75 Cb 0.44 -0.82 0.06 0.00 1.24 0.00 0.00 39.78 40.70 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 -2.46 3.03 -1.99 -1.44 -1.09 -1.26 -4.92 121.20 111.07 2kpj s ILE 76 Ca 0.39 0.21 0.00 0.00 -2.23 0.00 0.00 60.65 59.01 2kpj s ILE 76 Cb 0.32 -3.31 0.00 0.00 -1.58 0.00 0.00 42.46 37.89 2kpj s ILE 76 CO 0.05 -0.38 0.60 -0.90 -1.23 0.00 0.00 174.94 173.07 2kpj n ASP 77 N -3.00 0.01 -2.34 3.58 5.75 -1.26 -4.70 116.55 114.58 2kpj n ASP 77 Ca 0.07 -1.21 0.00 0.00 -0.01 0.00 0.00 54.79 53.64 2kpj n ASP 77 Cb 0.59 -0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.67 2kpj n ASP 77 CO 0.00 0.00 0.00 0.41 -0.11 0.00 0.00 177.20 177.50 2kpj n THR 78 N -0.49 0.00 -3.54 2.12 -1.04 -1.26 -5.03 114.28 105.04 2kpj n THR 78 Ca 0.00 0.00 -0.41 0.00 -2.04 0.00 0.00 64.05 61.60 2kpj n THR 78 Cb 0.00 -1.86 -0.06 0.00 -1.82 0.00 0.00 70.33 66.59 2kpj n THR 78 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 2kpj s VAL 79 N -0.13 4.61 -0.22 12.58 0.11 -1.26 -5.05 120.40 131.04 2kpj s VAL 79 Ca 0.00 -2.86 -0.33 0.00 -2.93 0.00 0.00 61.98 55.85 2kpj s VAL 79 Cb 0.00 -3.91 -0.10 0.00 -1.53 0.00 0.00 36.38 30.84 2kpj s VAL 79 CO 0.00 -0.97 2.07 -2.65 -3.33 0.00 0.00 175.10 170.23 2kpj n PRO 80 N 3.55 1.70 -2.73 1.54 -0.02 -1.26 -4.95 135.00 132.82 2kpj n PRO 80 Ca 0.12 0.54 -0.29 0.00 -2.02 0.00 0.00 63.50 61.85 2kpj n PRO 80 Cb 0.41 -2.71 -0.02 0.00 -0.02 0.00 0.00 33.50 31.17 2kpj n PRO 80 CO 0.00 0.00 0.00 -1.50 1.98 0.00 0.00 175.50 175.98 2kpj s ILE 81 N 6.27 4.85 -0.42 4.25 2.07 -1.26 -5.00 121.20 131.96 2kpj s ILE 81 Ca 1.01 0.42 -0.28 0.00 -1.41 0.00 0.00 60.65 60.39 2kpj s ILE 81 Cb -0.68 -3.80 -0.02 0.00 0.13 0.00 0.00 42.46 38.09 2kpj s ILE 81 CO 0.47 -0.69 1.80 -1.61 -1.91 0.00 0.00 174.94 173.01 2kpj s GLU 82 N -4.30 3.13 0.25 3.50 0.41 -1.26 -4.98 118.70 115.45 2kpj s GLU 82 Ca 0.49 1.17 0.04 0.00 -0.41 0.00 0.00 54.97 56.26 2kpj s GLU 82 Cb -0.10 -4.25 0.04 0.00 -1.78 0.00 0.00 34.13 28.04 2kpj s GLU 82 CO 0.38 -2.11 0.35 0.45 -0.49 0.00 0.00 175.26 173.84 2kpj n SER 83 N 11.00 0.90 -4.89 -0.19 2.88 -1.26 -5.07 113.62 117.00 2kpj n SER 83 Ca 0.22 -1.66 -0.36 0.00 -1.33 0.00 0.00 58.87 55.75 2kpj n SER 83 Cb 0.49 -0.18 -0.05 0.00 -0.75 0.00 0.00 64.21 63.71 2kpj n SER 83 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2kpj s GLY 84 N -3.14 2.18 -0.34 0.46 0.00 -1.26 -5.06 107.32 100.16 2kpj s GLY 84 Ca 0.26 -0.67 -0.22 0.00 0.00 0.00 0.00 44.72 44.10 2kpj s GLY 84 CO 0.17 -0.47 0.70 -0.47 0.00 0.00 0.00 173.10 173.03 2kpj s TYR 85 N -1.16 3.16 0.05 1.90 5.04 -1.26 -5.00 117.35 120.08 2kpj s TYR 85 Ca 0.21 0.52 -0.31 0.00 -2.44 0.00 0.00 57.07 55.05 2kpj s TYR 85 Cb -0.12 -3.21 -0.07 0.00 0.35 0.00 0.00 41.96 38.91 2kpj s TYR 85 CO 0.10 -0.63 1.54 0.99 -1.34 0.00 0.00 175.55 176.22 2kpj s THR 86 N 2.85 3.28 -0.62 4.34 2.01 -1.26 -4.96 115.64 121.28 2kpj s THR 86 Ca 0.28 0.73 -0.16 0.00 0.31 0.00 0.00 61.69 62.84 2kpj s THR 86 Cb -0.14 -3.47 0.14 0.00 0.01 0.00 0.00 72.50 69.04 2kpj s THR 86 CO 0.15 0.00 0.61 -0.22 -0.69 0.00 0.00 174.62 174.47 2kpj s LEU 87 N 2.41 6.12 -0.80 4.42 0.20 -1.26 -5.00 118.68 124.77 2kpj s LEU 87 Ca 0.70 -1.91 -0.08 0.00 0.69 0.00 0.00 54.13 53.52 2kpj s LEU 87 Cb -0.37 -2.23 0.21 0.00 -0.43 0.00 0.00 46.19 43.37 2kpj s LEU 87 CO 0.30 -0.86 0.69 -1.83 -0.29 0.00 0.00 176.35 174.37 2kpj s GLU 88 N 1.55 3.27 0.00 1.98 -1.05 -1.26 -4.78 118.70 118.41 2kpj s GLU 88 Ca 0.09 -2.68 0.22 0.00 -0.15 0.00 0.00 54.97 52.45 2kpj s GLU 88 Cb -0.24 -4.14 0.32 0.00 -0.44 0.00 0.00 34.13 29.63 2kpj s GLU 88 CO 0.01 -1.24 1.31 1.58 0.95 0.00 0.00 175.26 177.87 2kpj n HIS 89 N 3.45 0.30 -4.45 4.83 -0.00 -1.26 -4.94 115.22 113.15 2kpj n HIS 89 Ca 0.14 -0.16 -0.23 0.00 0.46 0.00 0.00 57.72 57.93 2kpj n HIS 89 Cb 0.42 -0.00 -0.10 0.00 -0.12 0.00 0.00 29.99 30.19 2kpj n HIS 89 CO 0.00 0.00 0.00 -1.01 0.46 0.00 0.00 176.34 175.79 2kpj s HIS 90 N -1.59 2.16 -0.02 1.57 3.76 -1.26 -5.15 115.29 114.76 2kpj s HIS 90 Ca 0.33 -0.43 0.06 0.00 -0.15 0.00 0.00 55.06 54.87 2kpj s HIS 90 Cb 0.21 -1.01 -0.02 0.00 1.11 0.00 0.00 32.58 32.87 2kpj s HIS 90 CO 0.29 0.59 -0.22 -3.38 -0.85 0.00 0.00 174.74 171.18 2kpj s HIS 91 N -2.66 2.00 0.00 1.40 -3.43 -1.26 -5.03 115.29 106.31 2kpj s HIS 91 Ca 0.29 -0.42 0.00 0.00 -0.80 0.00 0.00 55.06 54.13 2kpj s HIS 91 Cb -0.02 -1.30 0.00 0.00 -1.43 0.00 0.00 32.58 29.83 2kpj s HIS 91 CO 0.13 -0.06 0.00 1.58 -2.00 0.00 0.00 174.74 174.39 2kpj n HIS 92 N 2.64 0.00 -1.05 0.38 -0.00 -1.26 -5.12 115.22 110.81 2kpj n HIS 92 Ca -0.16 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.56 2kpj n HIS 92 Cb 0.52 -0.01 0.00 0.00 -0.00 0.00 0.00 29.99 30.50 2kpj n HIS 92 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2kpj n HIS 93 N -1.31 -2.91 -1.90 1.57 -0.00 -1.26 -5.08 115.22 104.34 2kpj n HIS 93 Ca 0.00 1.55 0.00 0.00 0.46 0.00 0.00 57.72 59.73 2kpj n HIS 93 Cb 0.00 -2.66 0.00 0.00 -0.12 0.00 0.00 29.99 27.21 2kpj n HIS 93 CO 0.00 0.00 0.00 -2.39 0.46 0.00 0.00 176.34 174.41