#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 -9.71 -4.75 2.03 0.31 -1.26 -5.05 118.33 99.91 2kpj n VAL 2 Ca 0.00 -0.60 -0.25 0.00 -0.01 0.00 0.00 64.34 63.49 2kpj n VAL 2 Cb 0.00 -6.75 -0.15 0.00 -0.91 0.00 0.00 33.84 26.04 2kpj n VAL 2 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 2kpj s LYS 3 N -3.45 1.38 -0.02 5.55 2.20 -1.26 -5.11 119.74 119.02 2kpj s LYS 3 Ca 0.15 -0.73 -0.30 0.00 -0.36 0.00 0.00 55.97 54.73 2kpj s LYS 3 Cb -0.02 -1.38 -0.04 0.00 -1.51 0.00 0.00 37.83 34.89 2kpj s LYS 3 CO 0.73 0.37 1.23 0.34 -0.36 0.00 0.00 175.35 177.66 2kpj s ASP 4 N -0.69 7.03 0.29 1.43 2.15 -1.26 -4.92 116.67 120.69 2kpj s ASP 4 Ca 0.06 1.90 0.03 0.00 0.43 0.00 0.00 52.55 54.97 2kpj s ASP 4 Cb -0.07 -2.56 0.43 0.00 -0.30 0.00 0.00 42.92 40.42 2kpj s ASP 4 CO 0.00 -0.58 1.73 0.50 -0.17 0.00 0.00 175.17 176.65 2kpj h LYS 5 N 7.39 0.46 -0.08 4.34 1.63 -1.99 -2.69 116.57 125.63 2kpj h LYS 5 Ca -0.36 -0.17 0.00 0.00 -0.85 0.00 0.00 60.65 59.27 2kpj h LYS 5 Cb 1.17 -0.03 -0.01 0.00 -0.60 0.00 0.00 32.23 32.77 2kpj h LYS 5 CO 0.87 0.68 0.04 0.37 -3.45 0.00 0.00 179.45 177.96 2kpj h GLN 6 N 0.41 0.09 -0.01 1.90 5.75 -1.98 0.94 115.11 122.20 2kpj h GLN 6 Ca 0.06 -0.01 -0.03 0.00 -0.15 0.00 0.00 58.65 58.52 2kpj h GLN 6 Cb 0.65 -0.02 -0.01 0.00 1.07 0.00 0.00 27.48 29.18 2kpj h GLN 6 CO 0.05 0.06 -0.16 0.87 -2.65 0.00 0.00 178.83 177.00 2kpj h LYS 7 N 0.09 0.02 -0.03 1.69 1.57 -1.86 0.14 116.57 118.20 2kpj h LYS 7 Ca 0.03 -0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 58.67 2kpj h LYS 7 Cb 0.00 -0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.29 2kpj h LYS 7 CO -0.02 0.18 -0.62 0.00 -0.57 0.00 0.00 179.45 178.42 2kpj h ALA 8 N 1.83 0.92 0.00 3.86 0.00 -0.97 -1.72 119.26 123.19 2kpj h ALA 8 Ca 0.00 -0.56 -0.02 0.00 0.00 0.00 0.00 54.91 54.33 2kpj h ALA 8 Cb 0.29 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.99 2kpj h ALA 8 CO 0.02 0.76 -0.08 0.82 0.00 0.00 0.00 179.25 180.76 2kpj h ILE 9 N 0.07 1.62 -0.38 0.00 2.04 0.06 -2.44 117.51 118.48 2kpj h ILE 9 Ca -0.01 -1.94 0.07 0.00 1.00 0.00 0.00 64.86 63.98 2kpj h ILE 9 Cb 1.11 2.92 -0.06 0.00 -0.74 0.00 0.00 36.82 40.04 2kpj h ILE 9 CO 0.09 0.51 -0.02 0.15 0.00 0.00 0.00 178.15 178.88 2kpj h PHE 10 N -0.72 -0.06 -0.50 1.37 3.57 -0.76 0.15 116.94 119.98 2kpj h PHE 10 Ca -0.01 0.03 -0.07 0.00 3.53 0.00 0.00 57.97 61.45 2kpj h PHE 10 Cb 0.89 0.08 -0.02 0.00 2.79 0.00 0.00 35.95 39.69 2kpj h PHE 10 CO 0.21 -0.09 0.05 0.66 -2.23 0.00 0.00 178.31 176.91 2kpj h SER 11 N 0.08 0.82 -0.31 0.41 4.64 -1.43 0.96 113.55 118.73 2kpj h SER 11 Ca 0.19 -0.28 0.05 0.00 -0.47 0.00 0.00 61.79 61.28 2kpj h SER 11 Cb 0.27 -0.22 -0.04 0.00 -0.31 0.00 0.00 62.40 62.10 2kpj h SER 11 CO -0.33 0.89 0.04 -0.08 -0.87 0.00 0.00 176.83 176.48 2kpj h GLU 12 N 0.72 0.14 -0.10 4.77 4.57 -0.83 0.44 114.58 124.29 2kpj h GLU 12 Ca 0.15 -0.01 -0.03 0.00 -1.18 0.00 0.00 59.36 58.29 2kpj h GLU 12 Cb 0.44 -0.03 -0.00 0.00 -0.16 0.00 0.00 28.75 29.00 2kpj h GLU 12 CO 0.02 0.09 -0.04 -0.91 -1.18 0.00 0.00 179.01 176.99 2kpj h ASN 13 N 0.14 0.21 -0.18 1.04 4.21 -0.59 -2.50 115.58 117.91 2kpj h ASN 13 Ca 0.15 -0.39 0.00 0.00 1.21 0.00 0.00 56.30 57.26 2kpj h ASN 13 Cb 0.17 -0.06 -0.01 0.00 -1.12 0.00 0.00 38.32 37.30 2kpj h ASN 13 CO -0.21 0.55 0.12 0.25 -1.29 0.00 0.00 177.43 176.85 2kpj h LEU 14 N -0.14 0.21 -1.77 1.61 5.85 -0.57 -2.21 115.31 118.29 2kpj h LEU 14 Ca 0.02 -0.01 0.04 0.00 0.84 0.00 0.00 57.88 58.78 2kpj h LEU 14 Cb 0.47 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.43 2kpj h LEU 14 CO 0.01 0.15 0.24 0.78 -0.34 0.00 0.00 178.44 179.28 2kpj h ASN 15 N 0.25 0.26 -0.18 1.25 4.21 -0.15 -1.05 115.58 120.16 2kpj h ASN 15 Ca 0.07 -0.00 0.01 0.00 1.21 0.00 0.00 56.30 57.59 2kpj h ASN 15 Cb -0.03 -0.06 -0.01 0.00 -1.12 0.00 0.00 38.32 37.10 2kpj h ASN 15 CO -0.01 0.18 0.09 0.28 -1.29 0.00 0.00 177.43 176.67 2kpj h SER 16 N 0.30 0.13 -0.40 5.81 0.02 -0.92 0.13 113.55 118.62 2kpj h SER 16 Ca 0.15 0.01 -0.15 0.00 -0.84 0.00 0.00 61.79 60.96 2kpj h SER 16 Cb 0.23 -0.02 -0.01 0.00 0.14 0.00 0.00 62.40 62.74 2kpj h SER 16 CO -0.03 0.10 -0.34 1.88 -1.14 0.00 0.00 176.83 177.30 2kpj h TYR 17 N 0.19 1.10 -0.24 3.45 0.05 -1.17 -2.54 116.97 117.81 2kpj h TYR 17 Ca 0.07 -0.32 -0.01 0.00 0.05 0.00 0.00 58.73 58.52 2kpj h TYR 17 Cb 0.02 -0.24 -0.01 0.00 1.01 0.00 0.00 36.73 37.51 2kpj h TYR 17 CO -0.09 1.14 0.10 0.82 -1.05 0.00 0.00 178.16 179.07 2kpj h ILE 18 N 0.75 1.17 0.00 -2.88 2.04 -1.06 -2.46 117.51 115.07 2kpj h ILE 18 Ca 0.07 -0.50 0.00 0.00 1.00 0.00 0.00 64.86 65.43 2kpj h ILE 18 Cb 0.93 1.06 0.00 0.00 -0.74 0.00 0.00 36.82 38.06 2kpj h ILE 18 CO 0.09 0.17 0.00 0.00 0.00 0.00 0.00 178.15 178.40 2kpj n ALA 19 N -2.25 2.01 0.86 1.87 0.00 0.43 -1.26 120.51 122.17 2kpj n ALA 19 Ca -0.03 -0.09 0.12 0.00 0.00 0.00 0.00 53.44 53.44 2kpj n ALA 19 Cb 0.13 -1.33 0.20 0.00 0.00 0.00 0.00 19.45 18.45 2kpj n ALA 19 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2kpj n LYS 20 N -1.36 0.10 -3.94 0.00 4.01 -0.94 -4.89 118.16 111.13 2kpj n LYS 20 Ca 0.08 0.02 -0.22 0.00 -0.51 0.00 0.00 58.31 57.68 2kpj n LYS 20 Cb 0.19 -1.55 -0.02 0.00 -0.51 0.00 0.00 35.03 33.13 2kpj n LYS 20 CO 0.00 0.00 0.00 0.45 -1.11 0.00 0.00 177.40 176.74 2kpj s SER 21 N -3.37 6.32 0.00 4.39 0.15 -0.39 -5.01 113.70 115.79 2kpj s SER 21 Ca 0.09 0.10 0.22 0.00 0.70 0.00 0.00 55.95 57.07 2kpj s SER 21 Cb 0.16 -1.88 0.38 0.00 -1.71 0.00 0.00 66.02 62.97 2kpj s SER 21 CO 0.72 -0.06 1.36 -0.62 1.20 0.00 0.00 173.24 175.84 2kpj n GLU 22 N -1.27 2.42 -3.15 5.44 1.02 -1.26 -4.90 120.64 118.94 2kpj n GLU 22 Ca -0.08 -2.20 -0.39 0.00 -0.02 0.00 0.00 57.16 54.46 2kpj n GLU 22 Cb 0.56 -1.49 -0.05 0.00 -0.02 0.00 0.00 31.44 30.44 2kpj n GLU 22 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 2kpj s LYS 23 N -1.51 4.36 0.86 3.49 1.02 -1.26 -5.06 119.74 121.64 2kpj s LYS 23 Ca 0.36 0.80 -0.12 0.00 0.02 0.00 0.00 55.97 57.04 2kpj s LYS 23 Cb 0.22 -3.36 0.11 0.00 -0.52 0.00 0.00 37.83 34.28 2kpj s LYS 23 CO 0.30 0.32 1.10 0.95 -0.92 0.00 0.00 175.35 177.10 2kpj s THR 24 N -0.05 2.77 0.36 2.17 -4.23 -1.26 -4.81 115.64 110.58 2kpj s THR 24 Ca 0.33 0.25 0.07 0.00 -1.18 0.00 0.00 61.69 61.15 2kpj s THR 24 Cb -0.18 -2.85 0.30 0.00 1.34 0.00 0.00 72.50 71.11 2kpj s THR 24 CO 0.18 -0.33 1.93 1.56 -0.54 0.00 0.00 174.62 177.42 2kpj h GLN 25 N -1.38 0.73 0.00 3.99 7.50 -1.97 -0.02 115.11 123.97 2kpj h GLN 25 Ca -0.49 -0.04 -0.08 0.00 0.50 0.00 0.00 58.65 58.54 2kpj h GLN 25 Cb 1.28 -0.17 -0.01 0.00 0.05 0.00 0.00 27.48 28.63 2kpj h GLN 25 CO 0.57 0.48 -0.38 1.25 -1.50 0.00 0.00 178.83 179.25 2kpj h LEU 26 N 0.75 0.00 0.14 1.46 6.46 -1.93 -1.23 115.31 120.96 2kpj h LEU 26 Ca 0.36 0.00 -0.01 0.00 -0.12 0.00 0.00 57.88 58.11 2kpj h LEU 26 Cb 0.40 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.33 2kpj h LEU 26 CO -0.13 0.38 -0.07 -0.33 -0.62 0.00 0.00 178.44 177.67 2kpj h GLU 27 N 0.00 -0.18 -0.54 1.25 4.39 -1.37 -3.26 114.58 114.87 2kpj h GLU 27 Ca -0.00 0.01 -0.05 0.00 0.34 0.00 0.00 59.36 59.66 2kpj h GLU 27 Cb 0.70 0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 29.36 2kpj h GLU 27 CO 0.05 0.26 0.13 0.82 -1.16 0.00 0.00 179.01 179.11 2kpj h ILE 28 N -0.71 1.22 -0.94 3.13 2.04 -1.21 -2.83 117.51 118.22 2kpj h ILE 28 Ca -0.02 -0.80 0.09 0.00 1.00 0.00 0.00 64.86 65.13 2kpj h ILE 28 Cb 0.52 0.67 -0.07 0.00 -0.74 0.00 0.00 36.82 37.20 2kpj h ILE 28 CO 0.03 0.30 0.58 0.00 0.00 0.00 0.00 178.15 179.06 2kpj h ALA 29 N 1.35 1.35 -0.29 1.87 0.00 -1.31 -1.05 119.26 121.18 2kpj h ALA 29 Ca 0.17 0.01 -0.16 0.00 0.00 0.00 0.00 54.91 54.93 2kpj h ALA 29 Cb 0.29 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 2kpj h ALA 29 CO -0.00 0.26 -0.47 0.87 0.00 0.00 0.00 179.25 179.91 2kpj h LYS 30 N 0.99 0.78 -0.54 0.00 1.57 -1.54 0.53 116.57 118.35 2kpj h LYS 30 Ca 0.44 -0.45 -0.08 0.00 -1.87 0.00 0.00 60.65 58.69 2kpj h LYS 30 Cb 0.32 0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.65 2kpj h LYS 30 CO -0.22 1.08 0.02 0.77 -0.57 0.00 0.00 179.45 180.53 2kpj h SER 31 N 0.62 0.88 -0.12 0.86 0.02 -1.34 -2.97 113.55 111.50 2kpj h SER 31 Ca 0.03 -0.22 -0.11 0.00 -0.84 0.00 0.00 61.79 60.65 2kpj h SER 31 Cb 1.05 -0.23 0.00 0.00 0.14 0.00 0.00 62.40 63.35 2kpj h SER 31 CO 0.10 0.93 -0.37 0.40 -1.14 0.00 0.00 176.83 176.75 2kpj h ILE 32 N 0.85 1.38 0.00 3.27 1.08 -1.10 -3.48 117.51 119.51 2kpj h ILE 32 Ca 0.16 -1.69 0.00 0.00 -0.39 0.00 0.00 64.86 62.94 2kpj h ILE 32 Cb 0.47 2.14 0.00 0.00 -3.07 0.00 0.00 36.82 36.36 2kpj h ILE 32 CO 0.02 0.50 0.00 0.61 -0.69 0.00 0.00 178.15 178.59 2kpj n GLY 33 N 0.59 1.26 3.47 5.37 0.00 0.01 -5.06 105.19 110.83 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 0.62 0.22 1.61 -7.23 -0.23 -5.03 120.40 108.35 2kpj s VAL 34 Ca 0.00 -2.00 -0.05 0.00 -1.81 0.00 0.00 61.98 58.12 2kpj s VAL 34 Cb 0.00 -2.44 -0.05 0.00 0.56 0.00 0.00 36.38 34.45 2kpj s VAL 34 CO 0.00 0.00 0.46 -0.44 -0.31 0.00 0.00 175.10 174.81 2kpj s SER 35 N -3.55 6.47 0.39 4.85 0.01 -1.26 -4.28 113.70 116.33 2kpj s SER 35 Ca 0.28 0.64 0.10 0.00 1.31 0.00 0.00 55.95 58.27 2kpj s SER 35 Cb 0.04 -2.11 0.88 0.00 0.21 0.00 0.00 66.02 65.04 2kpj s SER 35 CO 0.15 -0.07 1.95 1.55 0.41 0.00 0.00 173.24 177.23 2kpj h PRO 36 N 2.22 0.58 -0.07 12.44 0.13 -1.93 0.26 132.00 145.64 2kpj h PRO 36 Ca -0.47 -0.03 -0.08 0.00 -0.87 0.00 0.00 66.00 64.55 2kpj h PRO 36 Cb 1.18 -0.13 -0.01 0.00 0.13 0.00 0.00 31.00 32.17 2kpj h PRO 36 CO 0.69 0.38 -0.32 1.96 -0.23 0.00 0.00 178.00 180.48 2kpj h GLN 37 N 0.60 0.13 -0.19 0.86 1.08 -1.99 0.10 115.11 115.70 2kpj h GLN 37 Ca 0.33 -0.05 -0.20 0.00 -1.45 0.00 0.00 58.65 57.28 2kpj h GLN 37 Cb 0.49 -0.01 0.00 0.00 -0.05 0.00 0.00 27.48 27.92 2kpj h GLN 37 CO -0.11 0.44 -0.69 1.15 -0.95 0.00 0.00 178.83 178.66 2kpj h THR 38 N 0.11 1.29 -0.14 -0.54 2.02 -1.37 -2.97 112.91 111.31 2kpj h THR 38 Ca 0.01 -1.91 -0.15 0.00 0.77 0.00 0.00 66.41 65.14 2kpj h THR 38 Cb 0.63 1.87 -0.01 0.00 -1.74 0.00 0.00 68.15 68.90 2kpj h THR 38 CO 0.05 0.61 -0.55 0.15 0.37 0.00 0.00 175.52 176.14 2kpj h PHE 39 N 0.54 0.53 -0.74 3.16 3.04 -1.03 -3.16 116.94 119.29 2kpj h PHE 39 Ca -0.03 -0.19 0.02 0.00 3.98 0.00 0.00 57.97 61.75 2kpj h PHE 39 Cb 1.30 -0.10 -0.04 0.00 2.56 0.00 0.00 35.95 39.67 2kpj h PHE 39 CO 0.07 0.88 0.48 -0.97 -2.02 0.00 0.00 178.31 176.76 2kpj h ASN 40 N 0.33 0.82 0.66 0.41 -1.24 -0.74 -1.55 115.58 114.27 2kpj h ASN 40 Ca 0.00 -0.01 -0.09 0.00 0.71 0.00 0.00 56.30 56.92 2kpj h ASN 40 Cb 1.07 -0.19 -0.01 0.00 0.73 0.00 0.00 38.32 39.91 2kpj h ASN 40 CO 0.10 0.58 -0.41 0.71 -1.29 0.00 0.00 177.43 177.12 2kpj h THR 41 N 0.97 1.06 -0.20 -3.57 1.35 -1.50 -1.50 112.91 109.52 2kpj h THR 41 Ca 0.28 -1.53 -0.08 0.00 -0.55 0.00 0.00 66.41 64.53 2kpj h THR 41 Cb -0.06 1.88 -0.00 0.00 -1.73 0.00 0.00 68.15 68.24 2kpj h THR 41 CO -0.08 0.40 -0.19 -0.50 -0.25 0.00 0.00 175.52 174.90 2kpj h TRP 42 N 0.00 0.57 0.00 4.73 6.55 -1.39 0.22 115.95 126.63 2kpj h TRP 42 Ca -0.00 -0.17 -0.06 0.00 0.95 0.00 0.00 58.89 59.61 2kpj h TRP 42 Cb 0.85 -0.12 -0.01 0.00 -0.86 0.00 0.00 29.16 29.02 2kpj h TRP 42 CO 0.00 0.83 -0.28 0.00 -1.05 0.00 0.00 178.44 177.94 2kpj n LYS 44 N -3.82 1.57 -2.78 0.00 5.02 -0.59 -4.91 118.16 112.65 2kpj n LYS 44 Ca -0.01 -0.84 -0.18 0.00 -2.02 0.00 0.00 58.31 55.26 2kpj n LYS 44 Cb 0.37 -1.48 0.02 0.00 -0.02 0.00 0.00 35.03 33.92 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 1.16 -0.29 0.10 0.72 0.00 -0.32 -4.91 105.19 101.65 2kpj n GLY 45 Ca 0.20 -0.07 -0.13 0.00 0.00 0.00 0.00 46.02 46.01 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 -0.95 0.82 -3.11 -0.61 2.04 -0.80 -3.41 117.51 111.49 2kpj h ILE 46 Ca -0.42 -2.61 -0.11 0.00 1.00 0.00 0.00 64.86 62.71 2kpj h ILE 46 Cb 1.29 2.48 -0.19 0.00 -0.74 0.00 0.00 36.82 39.67 2kpj h ILE 46 CO 0.46 0.65 -0.27 0.00 0.00 0.00 0.00 178.15 178.99 2kpj s ALA 47 N -2.59 -0.75 -0.19 1.87 0.00 -1.18 -5.04 121.76 113.89 2kpj s ALA 47 Ca -0.10 0.23 -0.05 0.00 0.00 0.00 0.00 51.96 52.04 2kpj s ALA 47 Cb 0.07 0.14 -0.03 0.00 0.00 0.00 0.00 23.12 23.31 2kpj s ALA 47 CO 0.81 -0.30 0.00 0.42 0.00 0.00 0.00 175.76 176.69 2kpj s ILE 48 N -1.64 4.10 1.07 0.00 1.01 -1.26 -4.26 121.20 120.21 2kpj s ILE 48 Ca -0.11 -0.27 -0.12 0.00 0.00 0.00 0.00 60.65 60.14 2kpj s ILE 48 Cb -0.04 -2.84 0.23 0.00 0.01 0.00 0.00 42.46 39.82 2kpj s ILE 48 CO 0.02 0.45 1.07 -2.16 0.00 0.00 0.00 174.94 174.32 2kpj s PRO 49 N 0.72 -0.16 0.90 2.79 0.04 -1.26 -5.02 135.00 133.01 2kpj s PRO 49 Ca 0.00 1.01 -0.12 0.00 0.04 0.00 0.00 61.00 61.93 2kpj s PRO 49 Cb -0.14 -1.63 0.13 0.00 0.04 0.00 0.00 34.50 32.90 2kpj s PRO 49 CO 0.02 -3.26 1.14 1.03 0.04 0.00 0.00 177.00 175.97 2kpj s ARG 50 N -4.58 1.22 0.31 4.56 1.81 -1.26 -4.66 118.95 116.35 2kpj s ARG 50 Ca 0.67 0.26 0.05 0.00 -1.72 0.00 0.00 55.73 54.99 2kpj s ARG 50 Cb -0.23 -1.85 0.68 0.00 -0.45 0.00 0.00 34.95 33.09 2kpj s ARG 50 CO 0.62 -2.13 1.83 1.98 -0.68 0.00 0.00 175.30 176.92 2kpj h MET 51 N -1.45 0.83 0.00 3.54 4.05 -1.98 0.30 114.93 120.21 2kpj h MET 51 Ca -0.50 -0.05 -0.01 0.00 -0.28 0.00 0.00 59.70 58.86 2kpj h MET 51 Cb 1.33 -0.19 -0.00 0.00 -0.80 0.00 0.00 31.60 31.94 2kpj h MET 51 CO 0.62 0.55 -0.04 0.78 0.23 0.00 0.00 176.91 179.05 2kpj h GLY 52 N 0.86 0.00 0.48 1.39 0.00 -1.99 -0.69 103.07 103.11 2kpj h GLY 52 Ca 0.50 0.00 -0.34 0.00 0.00 0.00 0.00 47.33 47.49 2kpj h GLY 52 CO -0.27 0.00 -2.08 0.28 0.00 0.00 0.00 176.54 174.47 2kpj n LYS 53 N -4.46 0.68 -0.17 4.80 5.02 -0.06 -3.12 118.16 120.84 2kpj n LYS 53 Ca -0.03 0.19 -0.08 0.00 -2.02 0.00 0.00 58.31 56.37 2kpj n LYS 53 Cb 0.13 -1.66 0.01 0.00 -0.02 0.00 0.00 35.03 33.49 2kpj n LYS 53 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 2kpj h VAL 54 N 0.02 1.19 -0.62 -0.18 2.07 -0.88 0.20 116.25 118.05 2kpj h VAL 54 Ca -0.43 -0.55 -0.06 0.00 0.82 0.00 0.00 66.70 66.48 2kpj h VAL 54 Cb 2.06 0.63 -0.03 0.00 -1.52 0.00 0.00 31.29 32.43 2kpj h VAL 54 CO 0.04 0.22 0.15 -0.61 0.02 0.00 0.00 177.57 177.39 2kpj h GLN 55 N 0.67 0.97 -0.68 1.57 5.75 -1.29 -2.05 115.11 120.06 2kpj h GLN 55 Ca 0.17 -0.21 -0.05 0.00 -0.15 0.00 0.00 58.65 58.41 2kpj h GLN 55 Cb 0.12 -0.14 -0.03 0.00 1.07 0.00 0.00 27.48 28.50 2kpj h GLN 55 CO -0.02 0.86 0.24 0.00 -2.65 0.00 0.00 178.83 177.26 2kpj h ALA 56 N 1.23 0.88 0.20 3.38 0.00 -1.37 0.18 119.26 123.77 2kpj h ALA 56 Ca 0.20 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 2kpj h ALA 56 Cb 0.33 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.86 2kpj h ALA 56 CO -0.00 0.54 -0.10 -0.07 0.00 0.00 0.00 179.25 179.62 2kpj h LEU 57 N 0.97 -0.23 -0.91 0.00 3.38 -0.68 -0.97 115.31 116.88 2kpj h LEU 57 Ca 0.22 -0.02 -0.07 0.00 0.09 0.00 0.00 57.88 58.11 2kpj h LEU 57 Cb 0.26 0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.05 2kpj h LEU 57 CO -0.01 -0.14 0.07 0.00 0.09 0.00 0.00 178.44 178.45 2kpj h ALA 58 N 0.50 1.10 -0.36 1.53 0.00 -1.21 -2.31 119.26 118.51 2kpj h ALA 58 Ca -0.03 -0.25 -0.08 0.00 0.00 0.00 0.00 54.91 54.56 2kpj h ALA 58 Cb 0.23 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 2kpj h ALA 58 CO 0.05 0.58 -0.11 0.22 0.00 0.00 0.00 179.25 179.99 2kpj h ASP 59 N 0.83 0.61 0.37 0.00 3.58 -0.48 0.15 116.42 121.48 2kpj h ASP 59 Ca 0.17 -0.17 -0.20 0.00 0.42 0.00 0.00 57.03 57.25 2kpj h ASP 59 Cb 0.39 -0.16 -0.00 0.00 1.72 0.00 0.00 39.33 41.28 2kpj h ASP 59 CO 0.01 0.76 -0.82 0.22 -2.88 0.00 0.00 179.24 176.53 2kpj h TYR 60 N 0.57 0.49 -0.00 0.28 3.20 -0.83 -3.01 116.97 117.66 2kpj h TYR 60 Ca 0.10 -0.24 0.00 0.00 3.14 0.00 0.00 58.73 61.73 2kpj h TYR 60 Cb 0.53 -0.06 0.00 0.00 1.54 0.00 0.00 36.73 38.74 2kpj h TYR 60 CO 0.02 1.02 -0.17 1.19 -1.64 0.00 0.00 178.16 178.58 2kpj n PHE 61 N -3.77 0.00 -3.35 -3.82 3.72 -0.90 -4.94 117.46 104.41 2kpj n PHE 61 Ca -0.05 0.00 -0.16 0.00 -0.05 0.00 0.00 57.45 57.19 2kpj n PHE 61 Cb 0.76 -0.19 0.08 0.00 -0.94 0.00 0.00 39.48 39.19 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 -0.95 -4.54 -3.75 4.37 2.85 -0.47 -5.04 115.26 107.73 2kpj n ASN 62 Ca 0.13 -0.68 -0.18 0.00 -0.11 0.00 0.00 54.58 53.73 2kpj n ASN 62 Cb 0.30 -5.11 -0.09 0.00 1.24 0.00 0.00 39.78 36.12 2kpj n ASN 62 CO 0.00 0.00 0.00 0.27 -2.11 0.00 0.00 177.26 175.42 2kpj s ILE 63 N -3.39 0.13 0.13 -1.44 -4.36 0.41 -5.03 121.20 107.65 2kpj s ILE 63 Ca 0.25 -2.00 -0.09 0.00 -0.26 0.00 0.00 60.65 58.56 2kpj s ILE 63 Cb -0.04 -2.49 -0.06 0.00 1.25 0.00 0.00 42.46 41.12 2kpj s ILE 63 CO 0.74 0.00 0.43 0.20 0.24 0.00 0.00 174.94 176.55 2kpj s ASN 64 N -3.35 6.61 0.49 4.36 0.01 -1.26 -4.30 114.94 117.51 2kpj s ASN 64 Ca 0.38 0.78 0.16 0.00 -0.71 0.00 0.00 52.86 53.46 2kpj s ASN 64 Cb 0.04 -2.17 1.17 0.00 0.41 0.00 0.00 41.25 40.71 2kpj s ASN 64 CO 0.21 0.08 2.09 0.07 -1.51 0.00 0.00 177.10 178.04 2kpj h LYS 65 N 3.21 0.00 -0.02 -0.60 2.10 -1.92 -1.09 116.57 118.25 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 1.18 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.51 2kpj h LYS 65 CO 0.69 0.07 0.02 0.77 -2.00 0.00 0.00 179.45 179.00 2kpj h SER 66 N 0.00 0.00 0.70 7.07 0.02 -1.99 -0.71 113.55 118.63 2kpj h SER 66 Ca -0.00 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 60.91 2kpj h SER 66 Cb 0.12 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.65 2kpj h SER 66 CO 0.01 0.00 -0.20 0.44 -1.14 0.00 0.00 176.83 175.94 2kpj h ASP 67 N 0.00 0.00 0.52 3.07 3.32 -1.52 -1.03 116.42 120.78 2kpj h ASP 67 Ca 0.01 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 56.94 2kpj h ASP 67 Cb 0.05 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.58 2kpj h ASP 67 CO -0.00 0.20 -1.58 0.18 -1.72 0.00 0.00 179.24 176.32 2kpj n LEU 68 N -3.50 0.55 -0.00 1.55 4.77 -0.33 -4.46 117.00 115.58 2kpj n LEU 68 Ca -0.01 0.23 -0.22 0.00 -0.03 0.00 0.00 56.01 55.99 2kpj n LEU 68 Cb 0.36 0.08 -0.14 0.00 -2.33 0.00 0.00 43.42 41.40 2kpj n LEU 68 CO 0.32 0.08 -0.66 0.40 -1.33 0.00 0.00 177.39 176.20 2kpj h ILE 69 N 0.00 0.78 -3.64 -0.08 1.08 -1.13 -3.34 117.51 111.18 2kpj h ILE 69 Ca -0.14 -2.35 -0.51 0.00 -0.39 0.00 0.00 64.86 61.48 2kpj h ILE 69 Cb 1.40 2.53 -0.03 0.00 -3.07 0.00 0.00 36.82 37.66 2kpj h ILE 69 CO 0.02 0.77 0.03 -1.61 -0.69 0.00 0.00 178.15 176.68 2kpj s GLU 70 N -2.52 3.94 0.66 2.37 2.02 -0.41 -4.79 118.70 119.98 2kpj s GLU 70 Ca -0.22 0.55 -0.16 0.00 0.02 0.00 0.00 54.97 55.16 2kpj s GLU 70 Cb 0.06 -2.50 0.00 0.00 0.10 0.00 0.00 34.13 31.79 2kpj s GLU 70 CO 0.75 0.21 1.15 0.34 0.02 0.00 0.00 175.26 177.73 2kpj s ASP 71 N -2.29 4.91 0.00 -0.19 -1.08 -1.26 -4.85 116.67 111.90 2kpj s ASP 71 Ca 0.52 2.17 -0.01 0.00 -0.52 0.00 0.00 52.55 54.71 2kpj s ASP 71 Cb -0.11 -2.57 -0.04 0.00 -1.46 0.00 0.00 42.92 38.75 2kpj s ASP 71 CO 0.18 -1.77 2.12 0.29 0.52 0.00 0.00 175.17 176.51 2kpj n LYS 72 N -2.30 1.09 -1.01 4.34 5.02 -1.26 -4.51 118.16 119.52 2kpj n LYS 72 Ca 0.12 -0.14 -0.14 0.00 -2.02 0.00 0.00 58.31 56.12 2kpj n LYS 72 Cb 0.51 -1.17 -0.09 0.00 -0.02 0.00 0.00 35.03 34.26 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 1.68 1.88 -1.59 1.97 4.76 -1.26 -4.85 118.16 120.76 2kpj n LYS 73 Ca 0.06 -1.20 -0.37 0.00 -2.87 0.00 0.00 58.31 53.93 2kpj n LYS 73 Cb 0.53 -1.80 -0.06 0.00 -1.84 0.00 0.00 35.03 31.86 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 1.67 3.68 -4.09 -0.35 4.77 -1.26 -4.81 117.00 116.61 2kpj n LEU 74 Ca 0.35 -3.05 -0.33 0.00 -0.03 0.00 0.00 56.01 52.95 2kpj n LEU 74 Cb 0.71 -1.40 -0.14 0.00 -2.33 0.00 0.00 43.42 40.26 2kpj n LEU 74 CO 0.18 -0.98 -0.36 0.21 -1.33 0.00 0.00 177.39 175.11 2kpj s ASN 75 N 5.61 4.76 0.15 -1.43 3.84 -1.26 -5.09 114.94 121.52 2kpj s ASN 75 Ca 0.62 -1.66 -0.33 0.00 0.21 0.00 0.00 52.86 51.70 2kpj s ASN 75 Cb 0.08 -1.65 -0.12 0.00 -0.55 0.00 0.00 41.25 39.00 2kpj s ASN 75 CO 0.13 -0.31 1.71 -0.38 -2.79 0.00 0.00 177.10 175.45 2kpj n ILE 76 N 4.45 0.12 -3.72 -5.21 2.08 -1.26 -4.98 119.36 110.85 2kpj n ILE 76 Ca -0.07 -0.02 -0.17 0.00 0.56 0.00 0.00 62.75 63.04 2kpj n ILE 76 Cb 0.42 -1.85 -0.17 0.00 -0.75 0.00 0.00 39.64 37.30 2kpj n ILE 76 CO 0.00 0.00 0.00 -0.62 0.56 0.00 0.00 176.55 176.49 2kpj s ASP 77 N 1.61 0.62 -0.17 4.38 2.15 -1.26 -5.04 116.67 118.96 2kpj s ASP 77 Ca 0.79 0.08 -0.41 0.00 0.43 0.00 0.00 52.55 53.44 2kpj s ASP 77 Cb -0.58 -0.08 -0.19 0.00 -0.30 0.00 0.00 42.92 41.78 2kpj s ASP 77 CO 0.37 -0.19 1.38 1.07 -0.17 0.00 0.00 175.17 177.62 2kpj n THR 78 N 4.79 0.05 -3.90 1.71 5.66 -1.26 -4.92 114.28 116.40 2kpj n THR 78 Ca -0.15 -0.01 -0.31 0.00 -3.05 0.00 0.00 64.05 60.54 2kpj n THR 78 Cb 0.50 -0.50 -0.13 0.00 -1.55 0.00 0.00 70.33 68.65 2kpj n THR 78 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 2kpj s VAL 79 N 1.52 2.84 -0.04 1.08 0.11 -1.26 -5.07 120.40 119.58 2kpj s VAL 79 Ca 0.95 -3.43 -0.33 0.00 -2.93 0.00 0.00 61.98 56.24 2kpj s VAL 79 Cb -1.24 -2.93 -0.11 0.00 -1.53 0.00 0.00 36.38 30.57 2kpj s VAL 79 CO 0.64 -0.85 1.91 -2.65 -3.33 0.00 0.00 175.10 170.81 2kpj n PRO 80 N 2.97 2.41 -4.65 1.54 -0.02 -1.26 -4.98 135.00 131.01 2kpj n PRO 80 Ca 0.08 0.88 -0.23 0.00 -2.02 0.00 0.00 63.50 62.22 2kpj n PRO 80 Cb 0.33 -2.76 -0.15 0.00 -0.02 0.00 0.00 33.50 30.90 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 4.12 1.20 -1.45 4.25 2.07 -1.26 -5.05 121.20 125.08 2kpj s ILE 81 Ca 0.91 -0.72 -0.12 0.00 -1.41 0.00 0.00 60.65 59.31 2kpj s ILE 81 Cb -0.61 -1.01 0.05 0.00 0.13 0.00 0.00 42.46 41.02 2kpj s ILE 81 CO 0.48 0.28 2.30 -0.62 -1.91 0.00 0.00 174.94 175.48 2kpj n GLU 82 N 2.55 3.25 -3.92 3.50 1.02 -1.26 -4.79 120.64 121.00 2kpj n GLU 82 Ca -0.15 -2.75 0.00 0.00 -0.02 0.00 0.00 57.16 54.24 2kpj n GLU 82 Cb 0.55 -3.10 0.01 0.00 -0.02 0.00 0.00 31.44 28.88 2kpj n GLU 82 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 2kpj s SER 83 N 2.41 -0.00 -1.19 1.62 1.04 -1.26 -5.05 113.70 111.27 2kpj s SER 83 Ca 0.50 -0.40 -0.04 0.00 0.48 0.00 0.00 55.95 56.50 2kpj s SER 83 Cb 0.14 0.30 0.19 0.00 0.10 0.00 0.00 66.02 66.75 2kpj s SER 83 CO -0.07 -0.59 2.20 0.61 0.98 0.00 0.00 173.24 176.37 2kpj n GLY 84 N -0.79 5.52 3.90 7.32 0.00 -1.26 -4.97 105.19 114.91 2kpj n GLY 84 Ca 0.00 -2.24 -0.32 0.00 0.00 0.00 0.00 46.02 43.47 2kpj n GLY 84 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2kpj s TYR 85 N -2.31 3.50 0.20 1.61 5.04 -1.26 -5.07 117.35 119.05 2kpj s TYR 85 Ca 0.49 0.52 -0.30 0.00 -2.44 0.00 0.00 57.07 55.34 2kpj s TYR 85 Cb 0.20 -1.97 -0.08 0.00 0.35 0.00 0.00 41.96 40.46 2kpj s TYR 85 CO -0.12 0.49 1.01 -0.08 -1.34 0.00 0.00 175.55 175.51 2kpj s THR 86 N -1.57 4.05 0.02 4.34 -1.32 -1.26 -5.05 115.64 114.84 2kpj s THR 86 Ca 0.38 1.89 0.00 0.00 -1.21 0.00 0.00 61.69 62.75 2kpj s THR 86 Cb -0.13 -4.20 -0.02 0.00 -1.51 0.00 0.00 72.50 66.65 2kpj s THR 86 CO 0.24 0.38 -0.03 -1.48 -2.21 0.00 0.00 174.62 171.52 2kpj s LEU 87 N -0.72 2.18 0.30 9.08 2.34 -1.26 -5.12 118.68 125.49 2kpj s LEU 87 Ca 0.45 -0.38 0.09 0.00 0.06 0.00 0.00 54.13 54.35 2kpj s LEU 87 Cb -0.27 0.04 -0.05 0.00 -0.56 0.00 0.00 46.19 45.36 2kpj s LEU 87 CO 0.33 -0.21 0.03 -1.61 -1.06 0.00 0.00 176.35 173.83 2kpj s GLU 88 N -1.11 2.23 0.03 1.48 0.41 -1.26 -5.14 118.70 115.34 2kpj s GLU 88 Ca -0.11 -1.55 0.03 0.00 -0.41 0.00 0.00 54.97 52.92 2kpj s GLU 88 Cb -0.08 -2.09 -0.02 0.00 -1.78 0.00 0.00 34.13 30.16 2kpj s GLU 88 CO -0.01 0.24 -0.09 -1.01 -0.49 0.00 0.00 175.26 173.90 2kpj s HIS 89 N -2.41 0.78 0.00 1.61 3.76 -1.26 -4.82 115.29 112.95 2kpj s HIS 89 Ca 0.34 -0.37 0.00 0.00 -0.15 0.00 0.00 55.06 54.88 2kpj s HIS 89 Cb -0.04 -0.47 0.00 0.00 1.11 0.00 0.00 32.58 33.19 2kpj s HIS 89 CO 0.20 -0.03 0.00 0.72 -0.85 0.00 0.00 174.74 174.78 2kpj n HIS 90 N 1.88 0.00 -2.09 1.40 8.25 -1.26 -5.12 115.22 118.28 2kpj n HIS 90 Ca -0.19 0.00 -0.03 0.00 -0.26 0.00 0.00 57.72 57.24 2kpj n HIS 90 Cb 0.55 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.64 2kpj n HIS 90 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2kpj n HIS 91 N -2.33 -2.79 -3.77 4.41 8.25 -1.26 -5.09 115.22 112.63 2kpj n HIS 91 Ca 0.00 1.64 -0.14 0.00 -0.26 0.00 0.00 57.72 58.96 2kpj n HIS 91 Cb 0.00 -3.01 -0.15 0.00 1.12 0.00 0.00 29.99 27.95 2kpj n HIS 91 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 2kpj s HIS 92 N -0.39 -0.10 -0.44 4.41 3.76 -1.26 -5.12 115.29 116.15 2kpj s HIS 92 Ca -0.14 0.35 -0.29 0.00 -0.15 0.00 0.00 55.06 54.83 2kpj s HIS 92 Cb 0.01 -0.10 0.02 0.00 1.11 0.00 0.00 32.58 33.63 2kpj s HIS 92 CO 0.38 -0.12 1.18 -3.38 -0.85 0.00 0.00 174.74 171.95 2kpj s HIS 93 N 0.92 2.79 0.00 1.40 -3.43 -1.26 -5.36 115.29 110.35 2kpj s HIS 93 Ca -0.07 0.78 0.00 0.00 -0.80 0.00 0.00 55.06 54.97 2kpj s HIS 93 Cb -0.10 -4.30 0.00 0.00 -1.43 0.00 0.00 32.58 26.76 2kpj s HIS 93 CO -0.04 -1.33 0.00 1.58 -2.00 0.00 0.00 174.74 172.95