#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 4.49 -0.36 1.12 1.01 -1.26 -5.01 120.40 120.39 2kpj s VAL 2 Ca 0.00 0.52 -0.16 0.00 0.00 0.00 0.00 61.98 62.34 2kpj s VAL 2 Cb 0.00 -4.44 -0.00 0.00 0.00 0.00 0.00 36.38 31.94 2kpj s VAL 2 CO 0.00 -0.89 0.41 -0.75 0.00 0.00 0.00 175.10 173.87 2kpj s LYS 3 N 3.70 3.46 -0.19 2.72 2.47 -1.26 -5.03 119.74 125.61 2kpj s LYS 3 Ca 0.33 -0.45 -0.29 0.00 -1.56 0.00 0.00 55.97 54.00 2kpj s LYS 3 Cb -0.11 -3.84 -0.03 0.00 -1.46 0.00 0.00 37.83 32.38 2kpj s LYS 3 CO 0.23 -0.63 1.63 0.34 0.16 0.00 0.00 175.35 177.09 2kpj s ASP 4 N 1.76 6.41 0.05 1.43 -1.08 -1.26 -4.90 116.67 119.08 2kpj s ASP 4 Ca 0.13 1.74 -0.19 0.00 -0.52 0.00 0.00 52.55 53.71 2kpj s ASP 4 Cb -0.16 -2.53 -0.13 0.00 -1.46 0.00 0.00 42.92 38.64 2kpj s ASP 4 CO 0.12 -1.21 1.38 0.11 0.52 0.00 0.00 175.17 176.09 2kpj h LYS 5 N 10.59 0.42 -0.73 4.34 1.57 -1.98 -2.11 116.57 128.67 2kpj h LYS 5 Ca -0.35 -0.21 0.03 0.00 -1.87 0.00 0.00 60.65 58.25 2kpj h LYS 5 Cb 1.16 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 33.42 2kpj h LYS 5 CO 0.99 0.77 0.46 0.37 -0.57 0.00 0.00 179.45 181.47 2kpj h GLN 6 N 0.09 0.87 -0.37 3.15 5.75 -1.97 0.37 115.11 123.00 2kpj h GLN 6 Ca 0.03 -0.05 -0.10 0.00 -0.15 0.00 0.00 58.65 58.38 2kpj h GLN 6 Cb 0.68 -0.20 -0.02 0.00 1.07 0.00 0.00 27.48 29.02 2kpj h GLN 6 CO 0.04 0.57 -0.18 -0.22 -2.65 0.00 0.00 178.83 176.40 2kpj h LYS 7 N 0.89 0.69 -0.04 1.69 3.64 -1.93 -1.00 116.57 120.52 2kpj h LYS 7 Ca 0.30 -0.25 -0.15 0.00 -1.27 0.00 0.00 60.65 59.28 2kpj h LYS 7 Cb 0.03 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 31.79 2kpj h LYS 7 CO -0.12 0.83 -0.67 0.00 -2.27 0.00 0.00 179.45 177.22 2kpj h ALA 8 N 1.19 0.81 -0.45 5.00 0.00 -0.58 -2.52 119.26 122.72 2kpj h ALA 8 Ca 0.10 -0.59 -0.08 0.00 0.00 0.00 0.00 54.91 54.34 2kpj h ALA 8 Cb 0.64 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 2kpj h ALA 8 CO 0.05 0.79 -0.03 0.82 0.00 0.00 0.00 179.25 180.88 2kpj h ILE 9 N 0.11 1.27 -0.30 0.00 2.04 -0.01 -1.43 117.51 119.19 2kpj h ILE 9 Ca -0.01 -1.09 0.03 0.00 1.00 0.00 0.00 64.86 64.79 2kpj h ILE 9 Cb 1.19 1.08 -0.03 0.00 -0.74 0.00 0.00 36.82 38.32 2kpj h ILE 9 CO 0.10 0.37 0.12 0.15 0.00 0.00 0.00 178.15 178.89 2kpj h PHE 10 N 0.65 0.21 -0.17 1.37 3.57 -1.01 0.25 116.94 121.80 2kpj h PHE 10 Ca 0.12 0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.60 2kpj h PHE 10 Cb 0.53 -0.05 -0.01 0.00 2.79 0.00 0.00 35.95 39.22 2kpj h PHE 10 CO 0.04 0.10 -0.04 0.66 -2.23 0.00 0.00 178.31 176.84 2kpj h SER 11 N 0.26 0.33 -0.87 0.41 4.64 -1.44 -0.34 113.55 116.54 2kpj h SER 11 Ca 0.13 -0.37 0.05 0.00 -0.47 0.00 0.00 61.79 61.13 2kpj h SER 11 Cb 0.08 -0.09 -0.06 0.00 -0.31 0.00 0.00 62.40 62.03 2kpj h SER 11 CO -0.12 0.62 0.55 -0.08 -0.87 0.00 0.00 176.83 176.93 2kpj h GLU 12 N 0.03 1.00 0.13 4.77 4.57 -1.02 0.10 114.58 124.16 2kpj h GLU 12 Ca 0.04 -0.06 -0.01 0.00 -1.18 0.00 0.00 59.36 58.16 2kpj h GLU 12 Cb 0.48 -0.22 0.00 0.00 -0.16 0.00 0.00 28.75 28.84 2kpj h GLU 12 CO 0.02 0.66 -0.06 -0.97 -1.18 0.00 0.00 179.01 177.47 2kpj h ASN 13 N 1.03 -0.15 -0.26 1.04 -0.73 -0.39 -2.59 115.58 113.53 2kpj h ASN 13 Ca 0.36 -0.16 0.02 0.00 1.87 0.00 0.00 56.30 58.40 2kpj h ASN 13 Cb 0.10 0.04 -0.02 0.00 0.27 0.00 0.00 38.32 38.70 2kpj h ASN 13 CO -0.15 0.07 0.11 0.25 -0.37 0.00 0.00 177.43 177.35 2kpj h LEU 14 N -0.36 0.16 -1.72 0.34 5.85 -0.62 -2.33 115.31 116.63 2kpj h LEU 14 Ca -0.02 0.02 0.03 0.00 0.84 0.00 0.00 57.88 58.75 2kpj h LEU 14 Cb 0.29 -0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.29 2kpj h LEU 14 CO 0.03 0.13 0.25 0.78 -0.34 0.00 0.00 178.44 179.28 2kpj h ASN 15 N 0.25 0.32 -0.81 1.25 2.35 -0.80 -1.43 115.58 116.71 2kpj h ASN 15 Ca 0.11 -0.00 0.04 0.00 -0.55 0.00 0.00 56.30 55.89 2kpj h ASN 15 Cb 0.05 -0.07 -0.05 0.00 0.05 0.00 0.00 38.32 38.30 2kpj h ASN 15 CO -0.09 0.22 0.53 0.28 -1.65 0.00 0.00 177.43 176.73 2kpj h SER 16 N 0.37 0.86 -0.00 5.81 0.02 -1.00 -0.55 113.55 119.05 2kpj h SER 16 Ca 0.15 -0.01 -0.09 0.00 -0.84 0.00 0.00 61.79 61.00 2kpj h SER 16 Cb 0.14 -0.20 0.01 0.00 0.14 0.00 0.00 62.40 62.49 2kpj h SER 16 CO -0.03 0.59 -0.36 1.88 -1.14 0.00 0.00 176.83 177.76 2kpj h TYR 17 N 0.99 0.37 -0.88 3.45 0.05 -1.28 -3.22 116.97 116.45 2kpj h TYR 17 Ca 0.33 -0.20 -0.00 0.00 0.05 0.00 0.00 58.73 58.90 2kpj h TYR 17 Cb 0.06 -0.04 -0.04 0.00 1.01 0.00 0.00 36.73 37.71 2kpj h TYR 17 CO -0.00 1.00 0.54 0.82 -1.05 0.00 0.00 178.16 179.47 2kpj h ILE 18 N -0.37 1.24 0.00 -2.88 2.04 -1.01 0.73 117.51 117.26 2kpj h ILE 18 Ca -0.04 -0.52 0.00 0.00 1.00 0.00 0.00 64.86 65.29 2kpj h ILE 18 Cb 1.10 -0.00 0.00 0.00 -0.74 0.00 0.00 36.82 37.18 2kpj h ILE 18 CO 0.07 0.25 0.00 0.00 0.00 0.00 0.00 178.15 178.47 2kpj n ALA 19 N -2.37 2.19 0.18 1.87 0.00 -0.25 -2.97 120.51 119.16 2kpj n ALA 19 Ca 0.09 -0.04 0.09 0.00 0.00 0.00 0.00 53.44 53.58 2kpj n ALA 19 Cb 0.05 -1.45 -0.13 0.00 0.00 0.00 0.00 19.45 17.93 2kpj n ALA 19 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 2kpj n LYS 20 N -1.95 0.74 -2.09 0.00 4.81 -0.76 -4.98 118.16 113.93 2kpj n LYS 20 Ca 0.06 -0.12 -0.28 0.00 -0.87 0.00 0.00 58.31 57.10 2kpj n LYS 20 Cb 0.36 -1.38 0.07 0.00 0.02 0.00 0.00 35.03 34.09 2kpj n LYS 20 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 2kpj s SER 21 N -3.67 4.94 0.00 3.14 0.15 0.18 -4.98 113.70 113.46 2kpj s SER 21 Ca -0.03 0.70 0.27 0.00 0.70 0.00 0.00 55.95 57.58 2kpj s SER 21 Cb 0.11 -1.37 0.83 0.00 -1.71 0.00 0.00 66.02 63.88 2kpj s SER 21 CO 0.71 -1.57 1.61 -0.62 1.20 0.00 0.00 173.24 174.58 2kpj n GLU 22 N -3.00 1.06 -3.17 5.44 -0.58 -1.26 -4.92 120.64 114.20 2kpj n GLU 22 Ca 0.07 -0.62 -0.33 0.00 -0.42 0.00 0.00 57.16 55.86 2kpj n GLU 22 Cb 0.60 -1.49 -0.06 0.00 -0.57 0.00 0.00 31.44 29.92 2kpj n GLU 22 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 2kpj s LYS 23 N -2.37 4.01 0.40 3.49 3.01 -1.26 -5.09 119.74 121.94 2kpj s LYS 23 Ca 0.28 0.64 0.06 0.00 -1.01 0.00 0.00 55.97 55.94 2kpj s LYS 23 Cb 0.20 -2.53 0.00 0.00 -1.01 0.00 0.00 37.83 34.49 2kpj s LYS 23 CO 0.47 0.21 0.57 0.95 0.51 0.00 0.00 175.35 178.06 2kpj s THR 24 N -1.89 3.52 0.41 2.17 -4.23 -1.26 -4.89 115.64 109.47 2kpj s THR 24 Ca 0.51 -0.90 0.07 0.00 -1.18 0.00 0.00 61.69 60.20 2kpj s THR 24 Cb -0.11 -3.23 0.26 0.00 1.34 0.00 0.00 72.50 70.76 2kpj s THR 24 CO 0.18 -0.10 2.06 1.56 -0.54 0.00 0.00 174.62 177.78 2kpj h GLN 25 N 0.64 0.51 -0.42 3.99 4.20 -1.97 -1.99 115.11 120.08 2kpj h GLN 25 Ca -0.43 -0.03 -0.11 0.00 0.06 0.00 0.00 58.65 58.13 2kpj h GLN 25 Cb 1.27 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 28.92 2kpj h GLN 25 CO 0.50 0.35 -0.17 -0.07 -0.67 0.00 0.00 178.83 178.77 2kpj h LEU 26 N 0.52 0.88 0.07 1.46 3.38 -1.94 -0.72 115.31 118.96 2kpj h LEU 26 Ca 0.14 -0.39 -0.00 0.00 0.09 0.00 0.00 57.88 57.72 2kpj h LEU 26 Cb -0.05 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.46 2kpj h LEU 26 CO -0.03 1.07 -0.03 -0.08 0.09 0.00 0.00 178.44 179.46 2kpj h GLU 27 N 0.68 -0.09 -0.44 1.13 4.22 -1.80 -2.09 114.58 116.19 2kpj h GLU 27 Ca 0.10 0.01 -0.03 0.00 0.08 0.00 0.00 59.36 59.52 2kpj h GLU 27 Cb 0.72 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.97 2kpj h GLU 27 CO 0.05 0.05 0.17 0.82 -2.18 0.00 0.00 179.01 177.93 2kpj h ILE 28 N -0.21 1.21 -0.82 2.32 2.04 -1.35 -2.01 117.51 118.68 2kpj h ILE 28 Ca -0.01 -0.64 0.06 0.00 1.00 0.00 0.00 64.86 65.27 2kpj h ILE 28 Cb 0.18 0.81 -0.06 0.00 -0.74 0.00 0.00 36.82 37.01 2kpj h ILE 28 CO 0.02 0.24 0.50 0.00 0.00 0.00 0.00 178.15 178.90 2kpj h ALA 29 N 1.02 1.13 -0.60 1.87 0.00 -1.10 -0.38 119.26 121.19 2kpj h ALA 29 Ca 0.15 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.06 2kpj h ALA 29 Cb 0.20 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 2kpj h ALA 29 CO -0.01 0.23 0.39 -0.22 0.00 0.00 0.00 179.25 179.64 2kpj h LYS 30 N 0.91 0.80 0.00 0.00 3.11 -1.01 0.13 116.57 120.52 2kpj h LYS 30 Ca 0.36 -0.06 0.00 0.00 -2.81 0.00 0.00 60.65 58.15 2kpj h LYS 30 Cb 0.18 -0.18 0.00 0.00 -1.00 0.00 0.00 32.23 31.24 2kpj h LYS 30 CO -0.18 0.55 0.00 0.77 -2.81 0.00 0.00 179.45 177.78 2kpj h SER 31 N 0.82 0.00 0.09 4.20 0.02 -0.55 -3.06 113.55 115.06 2kpj h SER 31 Ca 0.22 0.00 -0.27 0.00 -0.84 0.00 0.00 61.79 60.90 2kpj h SER 31 Cb -0.07 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.46 2kpj h SER 31 CO -0.05 0.00 -1.44 0.40 -1.14 0.00 0.00 176.83 174.60 2kpj h ILE 32 N 0.00 0.95 0.00 3.27 1.08 -0.74 -3.49 117.51 118.58 2kpj h ILE 32 Ca 0.00 -2.33 0.00 0.00 -0.39 0.00 0.00 64.86 62.14 2kpj h ILE 32 Cb 0.70 2.58 0.00 0.00 -3.07 0.00 0.00 36.82 37.03 2kpj h ILE 32 CO 0.00 0.65 0.00 0.61 -0.69 0.00 0.00 178.15 178.72 2kpj n GLY 33 N 1.71 1.98 3.46 5.37 0.00 0.32 -5.09 105.19 112.95 2kpj n GLY 33 Ca -0.27 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.51 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 0.56 0.47 1.61 -7.23 -0.40 -5.03 120.40 108.38 2kpj s VAL 34 Ca 0.00 -2.00 -0.11 0.00 -1.81 0.00 0.00 61.98 58.06 2kpj s VAL 34 Cb 0.00 -2.43 -0.06 0.00 0.56 0.00 0.00 36.38 34.46 2kpj s VAL 34 CO 0.00 0.00 0.86 -0.44 -0.31 0.00 0.00 175.10 175.21 2kpj s SER 35 N -3.54 6.45 0.43 4.85 0.01 -1.26 -4.07 113.70 116.56 2kpj s SER 35 Ca 0.28 1.22 0.13 0.00 1.31 0.00 0.00 55.95 58.90 2kpj s SER 35 Cb 0.03 -2.37 1.02 0.00 0.21 0.00 0.00 66.02 64.92 2kpj s SER 35 CO 0.16 -0.54 1.98 1.55 0.41 0.00 0.00 173.24 176.80 2kpj h PRO 36 N 0.75 0.40 0.00 12.44 0.13 -1.90 0.18 132.00 144.00 2kpj h PRO 36 Ca -0.47 -0.02 -0.11 0.00 -0.87 0.00 0.00 66.00 64.53 2kpj h PRO 36 Cb 1.19 -0.09 -0.02 0.00 0.13 0.00 0.00 31.00 32.21 2kpj h PRO 36 CO 0.63 0.27 -0.54 1.96 -0.23 0.00 0.00 178.00 180.09 2kpj h GLN 37 N 0.42 0.00 -0.25 0.86 4.20 -1.95 0.12 115.11 118.51 2kpj h GLN 37 Ca 0.27 0.00 -0.17 0.00 0.06 0.00 0.00 58.65 58.81 2kpj h GLN 37 Cb 0.51 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.29 2kpj h GLN 37 CO -0.07 0.54 -0.54 1.15 -0.67 0.00 0.00 178.83 179.23 2kpj h THR 38 N 0.00 1.29 -0.27 -0.54 2.02 -1.37 -1.37 112.91 112.67 2kpj h THR 38 Ca -0.01 -1.75 -0.18 0.00 0.77 0.00 0.00 66.41 65.25 2kpj h THR 38 Cb 1.11 1.68 0.00 0.00 -1.74 0.00 0.00 68.15 69.20 2kpj h THR 38 CO 0.07 0.56 -0.53 0.15 0.37 0.00 0.00 175.52 176.14 2kpj h PHE 39 N 0.56 1.06 -0.13 3.16 3.57 -1.15 -3.20 116.94 120.82 2kpj h PHE 39 Ca 0.01 -0.38 -0.10 0.00 3.53 0.00 0.00 57.97 61.03 2kpj h PHE 39 Cb 1.11 -0.20 -0.01 0.00 2.79 0.00 0.00 35.95 39.64 2kpj h PHE 39 CO 0.06 1.20 -0.36 -0.97 -2.23 0.00 0.00 178.31 176.01 2kpj h ASN 40 N 0.61 0.28 0.02 0.41 -1.24 -0.60 0.60 115.58 115.66 2kpj h ASN 40 Ca 0.01 -0.11 -0.09 0.00 0.71 0.00 0.00 56.30 56.82 2kpj h ASN 40 Cb 1.14 -0.08 -0.01 0.00 0.73 0.00 0.00 38.32 40.10 2kpj h ASN 40 CO 0.12 0.63 -0.27 0.71 -1.29 0.00 0.00 177.43 177.32 2kpj h THR 41 N 0.23 1.26 -0.31 -3.57 1.35 -1.29 0.27 112.91 110.85 2kpj h THR 41 Ca 0.03 -1.27 -0.16 0.00 -0.55 0.00 0.00 66.41 64.46 2kpj h THR 41 Cb 0.75 1.41 -0.01 0.00 -1.73 0.00 0.00 68.15 68.57 2kpj h THR 41 CO 0.06 0.40 -0.44 -0.50 -0.25 0.00 0.00 175.52 174.78 2kpj h TRP 42 N 0.35 0.98 -0.11 4.73 6.55 -1.41 -1.01 115.95 126.02 2kpj h TRP 42 Ca 0.05 -0.31 -0.03 0.00 0.95 0.00 0.00 58.89 59.56 2kpj h TRP 42 Cb 0.67 -0.20 -0.01 0.00 -0.86 0.00 0.00 29.16 28.76 2kpj h TRP 42 CO 0.02 1.10 -0.06 0.00 -1.05 0.00 0.00 178.44 178.45 2kpj n LYS 44 N -4.38 0.85 -2.28 0.00 5.02 0.88 -4.77 118.16 113.48 2kpj n LYS 44 Ca -0.01 -0.30 -0.17 0.00 -2.02 0.00 0.00 58.31 55.81 2kpj n LYS 44 Cb 0.19 -1.49 -0.01 0.00 -0.02 0.00 0.00 35.03 33.69 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 1.23 -0.21 0.07 0.72 0.00 -0.11 -4.91 105.19 101.98 2kpj n GLY 45 Ca 0.16 -0.16 -0.13 0.00 0.00 0.00 0.00 46.02 45.88 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 1.50 -4.10 -0.61 2.04 -1.42 -3.43 117.51 111.50 2kpj h ILE 46 Ca -0.41 -1.53 -0.13 0.00 1.00 0.00 0.00 64.86 63.79 2kpj h ILE 46 Cb 1.29 2.51 -0.17 0.00 -0.74 0.00 0.00 36.82 39.71 2kpj h ILE 46 CO 0.49 0.40 -0.65 0.00 0.00 0.00 0.00 178.15 178.39 2kpj s ALA 47 N -3.65 0.30 -0.20 1.87 0.00 -1.25 -5.08 121.76 113.75 2kpj s ALA 47 Ca -0.17 -0.94 -0.10 0.00 0.00 0.00 0.00 51.96 50.76 2kpj s ALA 47 Cb 0.01 0.25 -0.05 0.00 0.00 0.00 0.00 23.12 23.32 2kpj s ALA 47 CO 0.69 -0.32 0.13 0.42 0.00 0.00 0.00 175.76 176.68 2kpj s ILE 48 N -3.12 5.37 1.10 0.00 1.01 -1.26 -4.45 121.20 119.85 2kpj s ILE 48 Ca -0.01 0.18 -0.13 0.00 0.00 0.00 0.00 60.65 60.69 2kpj s ILE 48 Cb 0.02 -3.45 0.24 0.00 0.01 0.00 0.00 42.46 39.28 2kpj s ILE 48 CO -0.07 0.43 1.06 -2.16 0.00 0.00 0.00 174.94 174.20 2kpj s PRO 49 N 0.44 -0.36 0.69 2.79 0.04 -1.26 -5.01 135.00 132.33 2kpj s PRO 49 Ca 0.08 0.71 -0.11 0.00 0.04 0.00 0.00 61.00 61.71 2kpj s PRO 49 Cb -0.11 -1.63 0.00 0.00 0.04 0.00 0.00 34.50 32.80 2kpj s PRO 49 CO -0.01 -3.31 1.06 0.50 0.04 0.00 0.00 177.00 175.27 2kpj s ARG 50 N -4.68 3.00 0.29 4.56 3.52 -1.26 -4.75 118.95 119.63 2kpj s ARG 50 Ca 0.67 0.90 0.03 0.00 -0.13 0.00 0.00 55.73 57.20 2kpj s ARG 50 Cb -0.22 -2.00 0.67 0.00 -1.56 0.00 0.00 34.95 31.84 2kpj s ARG 50 CO 0.62 -1.04 1.74 1.98 -0.81 0.00 0.00 175.30 177.79 2kpj h MET 51 N -0.67 0.57 -0.24 5.12 -1.53 -1.99 -1.64 114.93 114.55 2kpj h MET 51 Ca -0.44 -0.03 0.00 0.00 -3.44 0.00 0.00 59.70 55.79 2kpj h MET 51 Cb 1.21 -0.13 -0.01 0.00 -0.55 0.00 0.00 31.60 32.12 2kpj h MET 51 CO 0.58 0.38 0.15 0.78 0.14 0.00 0.00 176.91 178.94 2kpj h GLY 52 N 0.59 0.34 2.00 1.39 0.00 -2.00 -1.91 103.07 103.48 2kpj h GLY 52 Ca 0.54 -0.13 -0.03 0.00 0.00 0.00 0.00 47.33 47.70 2kpj h GLY 52 CO -0.42 0.13 -0.17 0.50 0.00 0.00 0.00 176.54 176.58 2kpj h LYS 53 N 0.31 0.00 -0.49 4.80 1.57 -1.70 -2.27 116.57 118.80 2kpj h LYS 53 Ca 0.09 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.81 2kpj h LYS 53 Cb -0.02 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.28 2kpj h LYS 53 CO -0.02 0.17 0.06 0.28 -0.57 0.00 0.00 179.45 179.37 2kpj h VAL 54 N 0.00 1.25 -0.17 0.50 2.07 -0.98 -0.89 116.25 118.03 2kpj h VAL 54 Ca -0.00 -0.95 -0.08 0.00 0.82 0.00 0.00 66.70 66.48 2kpj h VAL 54 Cb 0.95 0.92 -0.01 0.00 -1.52 0.00 0.00 31.29 31.63 2kpj h VAL 54 CO 0.02 0.34 -0.25 -0.61 0.02 0.00 0.00 177.57 177.08 2kpj h GLN 55 N 0.69 0.32 -0.51 1.57 5.75 -1.10 -1.96 115.11 119.86 2kpj h GLN 55 Ca 0.15 -0.11 -0.05 0.00 -0.15 0.00 0.00 58.65 58.48 2kpj h GLN 55 Cb 0.42 -0.02 -0.02 0.00 1.07 0.00 0.00 27.48 28.92 2kpj h GLN 55 CO 0.01 0.56 0.11 0.00 -2.65 0.00 0.00 178.83 176.86 2kpj h ALA 56 N 1.45 0.68 -0.06 3.38 0.00 -1.09 0.12 119.26 123.73 2kpj h ALA 56 Ca 0.04 -0.22 0.01 0.00 0.00 0.00 0.00 54.91 54.74 2kpj h ALA 56 Cb 0.61 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 2kpj h ALA 56 CO 0.04 0.39 0.00 -0.07 0.00 0.00 0.00 179.25 179.62 2kpj h LEU 57 N 0.72 -0.02 -0.95 0.00 3.38 -0.79 0.17 115.31 117.83 2kpj h LEU 57 Ca 0.16 0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.12 2kpj h LEU 57 Cb 0.36 0.02 -0.04 0.00 0.09 0.00 0.00 40.66 41.09 2kpj h LEU 57 CO 0.01 0.00 0.40 0.00 0.09 0.00 0.00 178.44 178.94 2kpj h ALA 58 N 1.05 1.18 -0.40 1.53 0.00 -1.23 -2.45 119.26 118.95 2kpj h ALA 58 Ca 0.03 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 2kpj h ALA 58 Cb 0.03 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.48 2kpj h ALA 58 CO -0.05 0.63 0.19 0.22 0.00 0.00 0.00 179.25 180.25 2kpj h ASP 59 N 1.14 0.52 -0.89 0.00 3.58 -0.38 0.42 116.42 120.82 2kpj h ASP 59 Ca 0.28 -0.12 0.02 0.00 0.42 0.00 0.00 57.03 57.63 2kpj h ASP 59 Cb 0.09 -0.13 -0.05 0.00 1.72 0.00 0.00 39.33 40.96 2kpj h ASP 59 CO -0.04 0.49 0.59 0.22 -2.88 0.00 0.00 179.24 177.62 2kpj h TYR 60 N 0.50 1.10 -0.19 0.28 3.20 -0.68 -1.16 116.97 120.02 2kpj h TYR 60 Ca 0.14 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.03 2kpj h TYR 60 Cb 0.11 -0.37 0.00 0.00 1.54 0.00 0.00 36.73 38.01 2kpj h TYR 60 CO -0.01 0.67 0.00 1.19 -1.64 0.00 0.00 178.16 178.37 2kpj n PHE 61 N -4.42 0.25 -1.40 -3.82 3.72 -0.95 -4.91 117.46 105.94 2kpj n PHE 61 Ca 0.11 -0.12 -0.14 0.00 -0.05 0.00 0.00 57.45 57.25 2kpj n PHE 61 Cb 0.06 0.00 -0.06 0.00 -0.94 0.00 0.00 39.48 38.54 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 0.41 -5.01 -4.89 4.37 3.02 -0.38 -4.96 115.26 107.81 2kpj n ASN 62 Ca 0.16 0.34 -0.28 0.00 -0.03 0.00 0.00 54.58 54.77 2kpj n ASN 62 Cb 0.34 -3.72 -0.01 0.00 -0.61 0.00 0.00 39.78 35.78 2kpj n ASN 62 CO 0.00 0.00 0.00 0.27 -2.62 0.00 0.00 177.26 174.91 2kpj s ILE 63 N -2.39 1.48 0.41 2.41 -4.36 -0.00 -4.99 121.20 113.76 2kpj s ILE 63 Ca 0.00 -1.58 0.00 0.00 -0.26 0.00 0.00 60.65 58.81 2kpj s ILE 63 Cb 0.00 -2.06 -0.02 0.00 1.25 0.00 0.00 42.46 41.64 2kpj s ILE 63 CO 0.00 0.00 0.63 0.20 0.24 0.00 0.00 174.94 176.01 2kpj s ASN 64 N -4.24 6.03 0.32 4.36 0.01 -1.26 -4.33 114.94 115.83 2kpj s ASN 64 Ca 0.28 0.38 0.05 0.00 -0.71 0.00 0.00 52.86 52.85 2kpj s ASN 64 Cb -0.02 -1.75 0.55 0.00 0.41 0.00 0.00 41.25 40.44 2kpj s ASN 64 CO 0.17 -0.55 1.80 0.07 -1.51 0.00 0.00 177.10 177.09 2kpj h LYS 65 N 0.52 0.40 0.00 -0.60 -0.00 -1.94 -2.09 116.57 112.86 2kpj h LYS 65 Ca -0.47 -0.13 -0.01 0.00 -0.00 0.00 0.00 60.65 60.04 2kpj h LYS 65 Cb 1.24 -0.04 -0.00 0.00 -0.00 0.00 0.00 32.23 33.43 2kpj h LYS 65 CO 0.59 0.58 -0.04 0.77 -0.00 0.00 0.00 179.45 181.35 2kpj h SER 66 N 0.37 0.00 1.00 7.07 0.02 -1.96 -1.31 113.55 118.74 2kpj h SER 66 Ca 0.06 0.00 -0.08 0.00 -0.84 0.00 0.00 61.79 60.93 2kpj h SER 66 Cb 0.54 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.07 2kpj h SER 66 CO 0.04 0.04 -0.38 -0.78 -1.14 0.00 0.00 176.83 174.61 2kpj h ASP 67 N 0.00 0.00 0.15 3.07 3.58 -1.64 -0.79 116.42 120.79 2kpj h ASP 67 Ca -0.00 0.00 -0.36 0.00 0.42 0.00 0.00 57.03 57.09 2kpj h ASP 67 Cb 0.38 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 41.39 2kpj h ASP 67 CO 0.01 0.38 -2.11 0.18 -2.88 0.00 0.00 179.24 174.81 2kpj n LEU 68 N -3.44 2.12 -0.06 2.28 4.77 -0.83 -4.46 117.00 117.39 2kpj n LEU 68 Ca 0.00 0.14 -0.13 0.00 -0.03 0.00 0.00 56.01 55.99 2kpj n LEU 68 Cb 0.55 -0.65 -0.07 0.00 -2.33 0.00 0.00 43.42 40.91 2kpj n LEU 68 CO 0.37 0.75 0.62 0.40 -1.33 0.00 0.00 177.39 178.21 2kpj h ILE 69 N 0.03 1.33 -3.23 -0.08 1.08 -1.25 -3.39 117.51 112.02 2kpj h ILE 69 Ca -0.45 -1.24 -0.52 0.00 -0.39 0.00 0.00 64.86 62.25 2kpj h ILE 69 Cb 2.02 1.82 -0.01 0.00 -3.07 0.00 0.00 36.82 37.58 2kpj h ILE 69 CO 0.04 0.36 -0.15 -1.61 -0.69 0.00 0.00 178.15 176.10 2kpj s GLU 70 N -4.40 3.65 0.23 2.37 0.41 -0.31 -4.80 118.70 115.87 2kpj s GLU 70 Ca -0.14 0.03 -0.09 0.00 -0.41 0.00 0.00 54.97 54.36 2kpj s GLU 70 Cb 0.05 -2.66 -0.07 0.00 -1.78 0.00 0.00 34.13 29.67 2kpj s GLU 70 CO 0.75 0.25 0.54 0.34 -0.49 0.00 0.00 175.26 176.65 2kpj s ASP 71 N -3.00 6.60 -0.10 -0.19 2.15 -1.26 -4.67 116.67 116.20 2kpj s ASP 71 Ca 0.44 0.89 0.02 0.00 0.43 0.00 0.00 52.55 54.33 2kpj s ASP 71 Cb -0.11 -2.21 0.17 0.00 -0.30 0.00 0.00 42.92 40.47 2kpj s ASP 71 CO 0.28 -0.08 1.11 0.29 -0.17 0.00 0.00 175.17 176.60 2kpj n LYS 72 N -0.22 1.47 -0.50 4.34 5.02 -1.26 -3.71 118.16 123.31 2kpj n LYS 72 Ca 0.00 -0.74 0.06 0.00 -2.02 0.00 0.00 58.31 55.61 2kpj n LYS 72 Cb 0.52 -1.39 0.26 0.00 -0.02 0.00 0.00 35.03 34.40 2kpj n LYS 72 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2kpj n LYS 73 N 0.11 3.18 -2.06 1.97 4.01 -1.26 -4.78 118.16 119.34 2kpj n LYS 73 Ca 0.12 -2.02 -0.37 0.00 -0.51 0.00 0.00 58.31 55.54 2kpj n LYS 73 Cb 0.71 -1.82 -0.03 0.00 -0.51 0.00 0.00 35.03 33.37 2kpj n LYS 73 CO 0.00 0.00 0.00 1.28 -1.11 0.00 0.00 177.40 177.57 2kpj n LEU 74 N 0.59 4.22 0.00 -0.35 4.77 -1.24 -4.89 117.00 120.10 2kpj n LEU 74 Ca 0.18 -3.48 0.00 0.00 -0.03 0.00 0.00 56.01 52.68 2kpj n LEU 74 Cb 0.75 -1.64 0.00 0.00 -2.33 0.00 0.00 43.42 40.20 2kpj n LEU 74 CO 0.19 -0.66 0.00 -3.20 -1.33 0.00 0.00 177.39 172.39 2kpj n ASN 75 N 10.54 0.00 -4.70 -1.43 2.85 -1.26 -5.02 115.26 116.24 2kpj n ASN 75 Ca 0.48 -0.29 -0.42 0.00 -0.11 0.00 0.00 54.58 54.24 2kpj n ASN 75 Cb 0.45 0.00 -0.03 0.00 1.24 0.00 0.00 39.78 41.44 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 1.18 2.84 -0.30 -1.44 -1.09 -1.26 -4.97 121.20 116.16 2kpj s ILE 76 Ca 0.00 0.48 -0.12 0.00 -2.23 0.00 0.00 60.65 58.78 2kpj s ILE 76 Cb 0.00 -3.31 0.14 0.00 -1.58 0.00 0.00 42.46 37.71 2kpj s ILE 76 CO 0.00 0.02 0.78 -0.62 -1.23 0.00 0.00 174.94 173.89 2kpj s ASP 77 N 1.73 -0.93 -0.38 3.58 2.15 -1.26 -5.12 116.67 116.44 2kpj s ASP 77 Ca 0.72 1.28 -0.42 0.00 0.43 0.00 0.00 52.55 54.56 2kpj s ASP 77 Cb -0.42 2.05 -0.17 0.00 -0.30 0.00 0.00 42.92 44.09 2kpj s ASP 77 CO 0.32 -0.18 1.84 0.35 -0.17 0.00 0.00 175.17 177.33 2kpj n THR 78 N 5.25 0.17 -3.86 1.71 -2.24 -1.26 -4.93 114.28 109.12 2kpj n THR 78 Ca -0.11 -0.06 -0.32 0.00 -2.27 0.00 0.00 64.05 61.29 2kpj n THR 78 Cb 0.50 -0.99 -0.12 0.00 -2.10 0.00 0.00 70.33 67.62 2kpj n THR 78 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2kpj s VAL 79 N 4.37 3.07 0.87 2.28 0.11 -1.26 -5.10 120.40 124.74 2kpj s VAL 79 Ca 1.05 -3.44 -0.12 0.00 -2.93 0.00 0.00 61.98 56.55 2kpj s VAL 79 Cb -1.21 -3.05 0.11 0.00 -1.53 0.00 0.00 36.38 30.70 2kpj s VAL 79 CO 0.67 -0.88 1.10 -2.16 -3.33 0.00 0.00 175.10 170.51 2kpj s PRO 80 N -0.52 1.48 0.00 1.54 0.04 -1.26 -4.99 135.00 131.29 2kpj s PRO 80 Ca 0.19 0.67 -0.30 0.00 0.04 0.00 0.00 61.00 61.60 2kpj s PRO 80 Cb -0.20 -1.85 -0.04 0.00 0.04 0.00 0.00 34.50 32.45 2kpj s PRO 80 CO -0.04 -2.05 1.20 0.42 0.04 0.00 0.00 177.00 176.56 2kpj s ILE 81 N -3.06 4.17 0.03 0.56 1.01 -1.26 -5.03 121.20 117.62 2kpj s ILE 81 Ca 0.63 1.53 0.01 0.00 0.00 0.00 0.00 60.65 62.81 2kpj s ILE 81 Cb -0.16 -3.98 0.01 0.00 0.01 0.00 0.00 42.46 38.33 2kpj s ILE 81 CO 0.56 0.06 0.04 -0.62 0.00 0.00 0.00 174.94 174.98 2kpj n GLU 82 N 4.57 1.00 -1.97 2.79 1.02 -1.26 -5.03 120.64 121.77 2kpj n GLU 82 Ca 0.10 -0.18 -0.42 0.00 -0.02 0.00 0.00 57.16 56.64 2kpj n GLU 82 Cb 0.46 -0.01 -0.03 0.00 -0.02 0.00 0.00 31.44 31.85 2kpj n GLU 82 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 2kpj s SER 83 N -1.20 6.63 0.00 1.62 0.01 -1.26 -4.96 113.70 114.53 2kpj s SER 83 Ca 0.03 2.26 0.00 0.00 1.31 0.00 0.00 55.95 59.55 2kpj s SER 83 Cb -0.00 -2.53 0.00 0.00 0.21 0.00 0.00 66.02 63.69 2kpj s SER 83 CO 0.02 -0.96 0.00 0.61 0.41 0.00 0.00 173.24 173.32 2kpj n GLY 84 N 4.20 2.52 2.13 3.44 0.00 -1.26 -5.17 105.19 111.06 2kpj n GLY 84 Ca 0.18 -0.94 -0.13 0.00 0.00 0.00 0.00 46.02 45.13 2kpj n GLY 84 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2kpj n TYR 85 N 0.00 -0.49 -1.76 1.61 4.01 -1.26 -5.16 117.16 114.11 2kpj n TYR 85 Ca 0.00 -1.85 -0.29 0.00 -0.16 0.00 0.00 57.90 55.60 2kpj n TYR 85 Cb 0.00 0.18 0.10 0.00 -0.31 0.00 0.00 39.34 39.31 2kpj n TYR 85 CO 0.00 0.00 0.00 -0.08 -0.46 0.00 0.00 176.86 176.32 2kpj s THR 86 N -2.88 2.34 0.86 -0.72 -1.32 -1.26 -5.05 115.64 107.61 2kpj s THR 86 Ca 0.26 0.11 -0.12 0.00 -1.21 0.00 0.00 61.69 60.73 2kpj s THR 86 Cb 0.01 -3.01 0.11 0.00 -1.51 0.00 0.00 72.50 68.10 2kpj s THR 86 CO 0.18 -0.14 1.13 -1.48 -2.21 0.00 0.00 174.62 172.10 2kpj s LEU 87 N -5.70 2.27 0.04 9.08 0.05 -1.26 -5.04 118.68 118.12 2kpj s LEU 87 Ca 0.62 1.02 -0.12 0.00 0.05 0.00 0.00 54.13 55.70 2kpj s LEU 87 Cb -0.12 -3.46 -0.06 0.00 -2.05 0.00 0.00 46.19 40.50 2kpj s LEU 87 CO 0.51 -2.26 0.40 -1.83 -0.55 0.00 0.00 176.35 172.63 2kpj s GLU 88 N -5.30 3.83 0.78 1.48 -1.05 -1.26 -5.08 118.70 112.10 2kpj s GLU 88 Ca 0.63 0.29 -0.11 0.00 -0.15 0.00 0.00 54.97 55.63 2kpj s GLU 88 Cb -0.14 -3.10 0.06 0.00 -0.44 0.00 0.00 34.13 30.52 2kpj s GLU 88 CO 0.53 0.62 1.09 -3.38 0.95 0.00 0.00 175.26 175.07 2kpj s HIS 89 N -1.25 2.58 0.29 4.83 -3.43 -1.26 -5.04 115.29 112.00 2kpj s HIS 89 Ca 0.29 1.53 0.07 0.00 -0.80 0.00 0.00 55.06 56.15 2kpj s HIS 89 Cb -0.15 -3.05 -0.03 0.00 -1.43 0.00 0.00 32.58 27.92 2kpj s HIS 89 CO 0.16 -1.82 0.31 -1.01 -2.00 0.00 0.00 174.74 170.38 2kpj s HIS 90 N -2.91 3.13 0.00 0.38 0.09 -1.26 -5.06 115.29 109.66 2kpj s HIS 90 Ca 0.61 -0.16 0.00 0.00 -0.00 0.00 0.00 55.06 55.51 2kpj s HIS 90 Cb -0.17 -1.67 0.00 0.00 -0.00 0.00 0.00 32.58 30.74 2kpj s HIS 90 CO 0.56 0.30 0.75 1.58 -0.00 0.00 0.00 174.74 177.94 2kpj n HIS 91 N -1.38 0.00 0.00 1.40 -0.00 -1.26 -5.04 115.22 108.94 2kpj n HIS 91 Ca -0.05 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.13 2kpj n HIS 91 Cb 0.58 -0.47 0.00 0.00 -0.12 0.00 0.00 29.99 29.98 2kpj n HIS 91 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38 2kpj n HIS 92 N -1.92 0.00 0.16 1.57 -0.00 -1.26 -5.04 115.22 108.74 2kpj n HIS 92 Ca 0.00 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.18 2kpj n HIS 92 Cb 0.00 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 29.87 2kpj n HIS 92 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52 2kpj n HIS 93 N 0.00 -3.25 -0.67 1.57 -0.00 -1.26 -5.32 115.22 106.29 2kpj n HIS 93 Ca 0.00 0.87 0.00 0.00 -0.00 0.00 0.00 57.72 58.59 2kpj n HIS 93 Cb 0.00 1.98 0.00 0.00 -0.00 0.00 0.00 29.99 31.97 2kpj n HIS 93 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06