#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 -4.59 -2.81 1.12 0.31 -1.26 -4.87 118.33 106.22 2kpj n VAL 2 Ca 0.00 0.75 -0.43 0.00 -0.01 0.00 0.00 64.34 64.65 2kpj n VAL 2 Cb 0.00 -3.03 0.00 0.00 -0.91 0.00 0.00 33.84 29.90 2kpj n VAL 2 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 2kpj n LYS 3 N 0.42 3.77 0.00 5.55 0.00 -1.26 -4.57 118.16 122.07 2kpj n LYS 3 Ca 0.00 -4.01 0.00 0.00 0.00 0.00 0.00 58.31 54.30 2kpj n LYS 3 Cb 0.00 -2.79 0.00 0.00 0.00 0.00 0.00 35.03 32.24 2kpj n LYS 3 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.40 177.00 2kpj n ASP 4 N 3.44 1.28 -0.01 3.14 5.75 -1.26 -4.78 116.55 124.10 2kpj n ASP 4 Ca 0.33 -1.50 -0.10 0.00 -0.01 0.00 0.00 54.79 53.52 2kpj n ASP 4 Cb 0.37 0.00 -0.04 0.00 -1.03 0.00 0.00 41.12 40.42 2kpj n ASP 4 CO 0.00 0.00 0.00 0.50 -0.11 0.00 0.00 177.20 177.59 2kpj h LYS 5 N 0.00 -0.01 -0.17 0.11 3.64 -1.98 0.92 116.57 119.08 2kpj h LYS 5 Ca 0.00 0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 59.32 2kpj h LYS 5 Cb 0.43 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.24 2kpj h LYS 5 CO 0.00 -0.00 -0.17 0.37 -2.27 0.00 0.00 179.45 177.38 2kpj h GLN 6 N -0.01 0.28 -0.20 1.90 5.75 -1.97 -1.96 115.11 118.91 2kpj h GLN 6 Ca 0.07 -0.08 -0.01 0.00 -0.15 0.00 0.00 58.65 58.48 2kpj h GLN 6 Cb 0.11 -0.03 -0.01 0.00 1.07 0.00 0.00 27.48 28.62 2kpj h GLN 6 CO -0.14 0.46 0.07 0.87 -2.65 0.00 0.00 178.83 177.43 2kpj h LYS 7 N 0.26 0.30 -0.10 1.69 1.57 -1.58 -0.13 116.57 118.58 2kpj h LYS 7 Ca 0.05 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 2kpj h LYS 7 Cb 0.46 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.72 2kpj h LYS 7 CO 0.03 0.38 0.06 0.00 -0.57 0.00 0.00 179.45 179.35 2kpj h ALA 8 N 0.91 0.13 -0.05 3.86 0.00 -0.55 0.29 119.26 123.84 2kpj h ALA 8 Ca 0.07 -0.00 0.02 0.00 0.00 0.00 0.00 54.91 54.99 2kpj h ALA 8 Cb 0.19 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 2kpj h ALA 8 CO -0.00 -0.39 -0.08 0.82 0.00 0.00 0.00 179.25 179.60 2kpj h ILE 9 N 0.13 0.77 0.42 0.00 2.04 -1.28 0.09 117.51 119.69 2kpj h ILE 9 Ca 0.04 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.88 2kpj h ILE 9 Cb -0.01 0.77 -0.00 0.00 -0.74 0.00 0.00 36.82 36.84 2kpj h ILE 9 CO -0.01 0.00 -0.25 0.15 0.00 0.00 0.00 178.15 178.03 2kpj h PHE 10 N -0.12 -0.67 -0.59 1.37 3.57 -0.83 -1.66 116.94 118.02 2kpj h PHE 10 Ca 0.05 -0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.48 2kpj h PHE 10 Cb 0.19 0.24 -0.02 0.00 2.79 0.00 0.00 35.95 39.14 2kpj h PHE 10 CO -0.17 -0.39 0.12 0.66 -2.23 0.00 0.00 178.31 176.30 2kpj h SER 11 N -0.64 0.91 -0.23 0.41 4.64 -0.86 0.75 113.55 118.52 2kpj h SER 11 Ca -0.05 -0.24 -0.02 0.00 -0.47 0.00 0.00 61.79 61.01 2kpj h SER 11 Cb 0.53 -0.24 -0.01 0.00 -0.31 0.00 0.00 62.40 62.37 2kpj h SER 11 CO 0.05 0.92 0.08 -0.08 -0.87 0.00 0.00 176.83 176.93 2kpj h GLU 12 N 0.86 0.35 -0.29 4.77 4.81 -0.93 0.15 114.58 124.29 2kpj h GLU 12 Ca 0.18 -0.07 -0.14 0.00 -0.13 0.00 0.00 59.36 59.21 2kpj h GLU 12 Cb 0.38 -0.05 -0.00 0.00 0.63 0.00 0.00 28.75 29.70 2kpj h GLU 12 CO 0.01 0.42 -0.35 -0.91 -0.73 0.00 0.00 179.01 177.45 2kpj h ASN 13 N 0.21 0.81 -0.56 1.04 2.35 -1.18 -1.88 115.58 116.36 2kpj h ASN 13 Ca 0.07 -0.49 0.02 0.00 -0.55 0.00 0.00 56.30 55.35 2kpj h ASN 13 Cb 0.21 -0.23 -0.03 0.00 0.05 0.00 0.00 38.32 38.31 2kpj h ASN 13 CO -0.00 1.13 0.35 0.25 -1.65 0.00 0.00 177.43 177.51 2kpj h LEU 14 N 0.50 0.59 -1.71 1.61 5.85 -0.77 -1.62 115.31 119.76 2kpj h LEU 14 Ca 0.04 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.76 2kpj h LEU 14 Cb 0.93 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.81 2kpj h LEU 14 CO 0.08 0.42 0.19 -1.13 -0.34 0.00 0.00 178.44 177.66 2kpj h ASN 15 N 0.71 0.34 -0.31 1.25 -0.73 -0.55 -1.01 115.58 115.27 2kpj h ASN 15 Ca 0.22 -0.01 -0.08 0.00 1.87 0.00 0.00 56.30 58.30 2kpj h ASN 15 Cb -0.02 -0.08 -0.02 0.00 0.27 0.00 0.00 38.32 38.47 2kpj h ASN 15 CO -0.08 0.25 -0.06 0.28 -0.37 0.00 0.00 177.43 177.45 2kpj h SER 16 N 0.40 0.68 0.56 1.15 0.02 -0.46 -0.20 113.55 115.69 2kpj h SER 16 Ca 0.11 -0.17 -0.22 0.00 -0.84 0.00 0.00 61.79 60.66 2kpj h SER 16 Cb -0.04 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.31 2kpj h SER 16 CO -0.02 0.78 -0.97 1.88 -1.14 0.00 0.00 176.83 177.36 2kpj h TYR 17 N 0.65 0.38 -0.21 3.45 0.05 -0.90 -2.66 116.97 117.74 2kpj h TYR 17 Ca 0.12 -0.23 -0.02 0.00 0.05 0.00 0.00 58.73 58.65 2kpj h TYR 17 Cb 0.49 -0.04 -0.01 0.00 1.01 0.00 0.00 36.73 38.18 2kpj h TYR 17 CO 0.02 1.07 0.04 0.82 -1.05 0.00 0.00 178.16 179.06 2kpj h ILE 18 N 0.12 1.22 0.00 -2.88 2.04 -0.93 -2.61 117.51 114.48 2kpj h ILE 18 Ca -0.07 -0.73 0.00 0.00 1.00 0.00 0.00 64.86 65.06 2kpj h ILE 18 Cb 1.63 1.31 0.00 0.00 -0.74 0.00 0.00 36.82 39.01 2kpj h ILE 18 CO 0.15 0.23 0.00 0.00 0.00 0.00 0.00 178.15 178.53 2kpj n ALA 19 N -2.30 2.17 0.11 1.87 0.00 -0.11 -2.02 120.51 120.23 2kpj n ALA 19 Ca -0.04 -0.11 0.06 0.00 0.00 0.00 0.00 53.44 53.35 2kpj n ALA 19 Cb 0.19 -1.36 0.01 0.00 0.00 0.00 0.00 19.45 18.28 2kpj n ALA 19 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 2kpj h LYS 20 N 0.00 0.00 -6.33 0.00 3.64 -1.09 -3.47 116.57 109.33 2kpj h LYS 20 Ca 0.00 0.00 -0.52 0.00 -1.27 0.00 0.00 60.65 58.86 2kpj h LYS 20 Cb 0.19 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.00 2kpj h LYS 20 CO 0.00 0.20 -0.21 0.45 -2.27 0.00 0.00 179.45 177.62 2kpj s SER 21 N -5.87 4.95 0.00 4.20 0.15 -0.86 -5.03 113.70 111.25 2kpj s SER 21 Ca 0.01 -0.97 0.24 0.00 0.70 0.00 0.00 55.95 55.93 2kpj s SER 21 Cb 0.08 0.22 0.22 0.00 -1.71 0.00 0.00 66.02 64.83 2kpj s SER 21 CO 0.77 -1.17 1.26 -0.62 1.20 0.00 0.00 173.24 174.68 2kpj n GLU 22 N -1.98 2.00 -2.61 5.44 4.71 -1.26 -4.94 120.64 121.99 2kpj n GLU 22 Ca 0.08 -1.62 -0.42 0.00 -0.01 0.00 0.00 57.16 55.18 2kpj n GLU 22 Cb 0.62 -1.47 -0.03 0.00 -1.01 0.00 0.00 31.44 29.56 2kpj n GLU 22 CO 0.00 0.00 0.00 0.15 0.09 0.00 0.00 177.13 177.37 2kpj s LYS 23 N -2.12 4.52 0.79 3.49 3.01 -1.26 -5.04 119.74 123.13 2kpj s LYS 23 Ca 0.26 1.55 -0.12 0.00 -1.01 0.00 0.00 55.97 56.65 2kpj s LYS 23 Cb 0.20 -3.42 0.07 0.00 -1.01 0.00 0.00 37.83 33.67 2kpj s LYS 23 CO 0.37 -0.11 1.15 0.95 0.51 0.00 0.00 175.35 178.22 2kpj s THR 24 N 0.99 2.43 0.44 2.17 -4.23 -1.26 -4.79 115.64 111.38 2kpj s THR 24 Ca 0.54 0.14 0.13 0.00 -1.18 0.00 0.00 61.69 61.32 2kpj s THR 24 Cb -0.24 -3.10 0.32 0.00 1.34 0.00 0.00 72.50 70.81 2kpj s THR 24 CO 0.29 -0.18 2.00 1.56 -0.54 0.00 0.00 174.62 177.75 2kpj h GLN 25 N -1.00 0.38 -0.16 3.99 4.20 -1.97 0.81 115.11 121.36 2kpj h GLN 25 Ca -0.46 -0.02 -0.11 0.00 0.06 0.00 0.00 58.65 58.12 2kpj h GLN 25 Cb 1.31 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 29.00 2kpj h GLN 25 CO 0.65 0.25 -0.33 -0.07 -0.67 0.00 0.00 178.83 178.66 2kpj h LEU 26 N 0.39 0.57 -0.66 1.46 3.38 -1.92 -1.31 115.31 117.21 2kpj h LEU 26 Ca 0.24 -0.56 -0.09 0.00 0.09 0.00 0.00 57.88 57.57 2kpj h LEU 26 Cb 0.43 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.99 2kpj h LEU 26 CO -0.06 1.02 0.08 -0.33 0.09 0.00 0.00 178.44 179.24 2kpj h GLU 27 N 0.14 1.12 -0.31 1.13 4.39 -1.68 -1.17 114.58 118.20 2kpj h GLU 27 Ca 0.00 -0.31 -0.18 0.00 0.34 0.00 0.00 59.36 59.21 2kpj h GLU 27 Cb 0.92 -0.12 -0.00 0.00 -0.10 0.00 0.00 28.75 29.45 2kpj h GLU 27 CO 0.07 1.03 -0.51 0.82 -1.16 0.00 0.00 179.01 179.26 2kpj h ILE 28 N 1.04 1.27 -0.51 3.13 2.04 -0.93 -2.74 117.51 120.81 2kpj h ILE 28 Ca 0.20 -1.69 0.03 0.00 1.00 0.00 0.00 64.86 64.40 2kpj h ILE 28 Cb 0.48 1.59 -0.04 0.00 -0.74 0.00 0.00 36.82 38.11 2kpj h ILE 28 CO 0.02 0.56 0.28 0.00 0.00 0.00 0.00 178.15 179.00 2kpj h ALA 29 N 0.69 0.65 0.00 1.87 0.00 -0.98 0.21 119.26 121.70 2kpj h ALA 29 Ca 0.02 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.88 2kpj h ALA 29 Cb 1.12 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 2kpj h ALA 29 CO 0.12 -0.05 -0.29 1.57 0.00 0.00 0.00 179.25 180.60 2kpj h LYS 30 N 0.55 0.00 -0.05 0.00 5.09 -1.23 0.23 116.57 121.16 2kpj h LYS 30 Ca 0.21 0.00 -0.15 0.00 0.09 0.00 0.00 60.65 60.80 2kpj h LYS 30 Cb 0.08 0.00 0.01 0.00 0.10 0.00 0.00 32.23 32.42 2kpj h LYS 30 CO -0.13 0.29 -0.57 0.77 -2.09 0.00 0.00 179.45 177.73 2kpj h SER 31 N 0.00 0.59 -0.17 7.07 0.02 -0.98 -3.30 113.55 116.78 2kpj h SER 31 Ca -0.00 -0.70 -0.09 0.00 -0.84 0.00 0.00 61.79 60.15 2kpj h SER 31 Cb 0.66 -0.18 -0.00 0.00 0.14 0.00 0.00 62.40 63.02 2kpj h SER 31 CO 0.04 1.20 -0.26 0.40 -1.14 0.00 0.00 176.83 177.07 2kpj h ILE 32 N 0.02 1.35 0.00 3.27 1.08 -0.77 -3.48 117.51 118.98 2kpj h ILE 32 Ca -0.06 -1.48 0.00 0.00 -0.39 0.00 0.00 64.86 62.93 2kpj h ILE 32 Cb 1.25 1.90 0.00 0.00 -3.07 0.00 0.00 36.82 36.89 2kpj h ILE 32 CO 0.11 0.45 0.00 0.61 -0.69 0.00 0.00 178.15 178.63 2kpj n GLY 33 N 0.33 1.88 3.47 5.37 0.00 0.71 -5.10 105.19 111.85 2kpj n GLY 33 Ca -0.06 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.73 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 2.06 0.46 1.61 -7.23 -0.64 -5.03 120.40 109.63 2kpj s VAL 34 Ca 0.00 -2.23 -0.23 0.00 -1.81 0.00 0.00 61.98 57.72 2kpj s VAL 34 Cb 0.00 -2.46 -0.08 0.00 0.56 0.00 0.00 36.38 34.41 2kpj s VAL 34 CO 0.00 -0.31 1.13 -0.44 -0.31 0.00 0.00 175.10 175.17 2kpj s SER 35 N -3.51 6.25 0.44 4.85 0.01 -1.26 -4.35 113.70 116.14 2kpj s SER 35 Ca 0.30 2.22 0.14 0.00 1.31 0.00 0.00 55.95 59.92 2kpj s SER 35 Cb 0.01 -2.59 1.05 0.00 0.21 0.00 0.00 66.02 64.70 2kpj s SER 35 CO 0.14 -0.86 2.01 1.55 0.41 0.00 0.00 173.24 176.49 2kpj h PRO 36 N 2.02 0.36 -0.35 12.44 0.13 -1.92 0.18 132.00 144.85 2kpj h PRO 36 Ca -0.49 -0.02 -0.09 0.00 -0.87 0.00 0.00 66.00 64.53 2kpj h PRO 36 Cb 1.24 -0.08 -0.02 0.00 0.13 0.00 0.00 31.00 32.27 2kpj h PRO 36 CO 0.60 0.24 -0.14 0.37 -0.23 0.00 0.00 178.00 178.83 2kpj h GLN 37 N 0.37 0.63 -0.47 0.86 5.75 -1.96 0.07 115.11 120.35 2kpj h GLN 37 Ca 0.24 -0.20 -0.13 0.00 -0.15 0.00 0.00 58.65 58.40 2kpj h GLN 37 Cb 0.45 -0.05 -0.01 0.00 1.07 0.00 0.00 27.48 28.93 2kpj h GLN 37 CO -0.06 0.75 -0.21 1.15 -2.65 0.00 0.00 178.83 177.81 2kpj h THR 38 N 0.57 1.27 -0.14 2.39 2.02 -1.34 0.73 112.91 118.40 2kpj h THR 38 Ca 0.10 -1.36 -0.15 0.00 0.77 0.00 0.00 66.41 65.77 2kpj h THR 38 Cb 0.58 1.13 -0.01 0.00 -1.74 0.00 0.00 68.15 68.10 2kpj h THR 38 CO 0.04 0.47 -0.55 0.15 0.37 0.00 0.00 175.52 175.99 2kpj h PHE 39 N 0.82 0.53 -0.62 3.16 3.57 -1.24 -3.05 116.94 120.11 2kpj h PHE 39 Ca 0.11 -0.19 -0.09 0.00 3.53 0.00 0.00 57.97 61.33 2kpj h PHE 39 Cb 0.77 -0.10 -0.02 0.00 2.79 0.00 0.00 35.95 39.39 2kpj h PHE 39 CO 0.05 0.88 0.02 -0.97 -2.23 0.00 0.00 178.31 176.06 2kpj h ASN 40 N 0.32 1.06 0.45 0.41 -1.24 -0.34 -1.38 115.58 114.87 2kpj h ASN 40 Ca 0.00 -0.30 -0.02 0.00 0.71 0.00 0.00 56.30 56.70 2kpj h ASN 40 Cb 1.07 -0.28 -0.00 0.00 0.73 0.00 0.00 38.32 39.83 2kpj h ASN 40 CO 0.10 1.09 -0.08 0.71 -1.29 0.00 0.00 177.43 177.96 2kpj h THR 41 N 0.99 0.35 0.10 -3.57 1.35 -0.81 0.77 112.91 112.09 2kpj h THR 41 Ca 0.18 -0.45 -0.28 0.00 -0.55 0.00 0.00 66.41 65.31 2kpj h THR 41 Cb 0.54 1.33 0.03 0.00 -1.73 0.00 0.00 68.15 68.32 2kpj h THR 41 CO 0.03 0.08 -1.14 -0.50 -0.25 0.00 0.00 175.52 173.73 2kpj h TRP 42 N 0.00 0.95 -0.25 4.73 6.55 -1.31 0.24 115.95 126.86 2kpj h TRP 42 Ca -0.00 -0.59 -0.04 0.00 0.95 0.00 0.00 58.89 59.20 2kpj h TRP 42 Cb 0.33 -0.08 -0.01 0.00 -0.86 0.00 0.00 29.16 28.53 2kpj h TRP 42 CO 0.00 1.43 -0.04 0.00 -1.05 0.00 0.00 178.44 178.79 2kpj n LYS 44 N -4.30 0.66 -2.98 0.00 4.76 0.16 -4.88 118.16 111.58 2kpj n LYS 44 Ca 0.01 -0.22 -0.19 0.00 -2.87 0.00 0.00 58.31 55.03 2kpj n LYS 44 Cb 0.24 -1.50 0.04 0.00 -1.84 0.00 0.00 35.03 31.97 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 1.29 -0.34 0.14 0.72 0.00 -0.36 -4.92 105.19 101.70 2kpj n GLY 45 Ca 0.14 0.01 -0.23 0.00 0.00 0.00 0.00 46.02 45.95 2kpj n GLY 45 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2kpj h ILE 46 N -1.35 1.25 -3.63 -0.61 1.08 -0.77 -3.46 117.51 110.03 2kpj h ILE 46 Ca -0.46 -2.59 -0.12 0.00 -0.39 0.00 0.00 64.86 61.30 2kpj h ILE 46 Cb 1.32 3.00 -0.18 0.00 -3.07 0.00 0.00 36.82 37.88 2kpj h ILE 46 CO 0.49 0.78 -0.44 0.00 -0.69 0.00 0.00 178.15 178.29 2kpj s ALA 47 N -2.54 -0.27 -0.15 1.87 0.00 -1.18 -5.06 121.76 114.44 2kpj s ALA 47 Ca -0.13 -0.35 -0.04 0.00 0.00 0.00 0.00 51.96 51.45 2kpj s ALA 47 Cb 0.03 0.25 -0.03 0.00 0.00 0.00 0.00 23.12 23.38 2kpj s ALA 47 CO 0.88 -0.33 -0.03 0.42 0.00 0.00 0.00 175.76 176.70 2kpj s ILE 48 N -2.45 4.02 0.77 0.00 1.01 -1.26 -4.37 121.20 118.92 2kpj s ILE 48 Ca -0.06 -0.32 -0.12 0.00 0.00 0.00 0.00 60.65 60.15 2kpj s ILE 48 Cb -0.02 -2.75 0.06 0.00 0.01 0.00 0.00 42.46 39.76 2kpj s ILE 48 CO -0.03 0.50 1.12 -2.16 0.00 0.00 0.00 174.94 174.37 2kpj s PRO 49 N 0.19 2.08 0.41 2.79 0.04 -1.26 -5.06 135.00 134.20 2kpj s PRO 49 Ca -0.01 1.39 0.01 0.00 0.04 0.00 0.00 61.00 62.42 2kpj s PRO 49 Cb -0.14 -1.86 0.08 0.00 0.04 0.00 0.00 34.50 32.62 2kpj s PRO 49 CO 0.03 -1.81 0.57 0.54 0.04 0.00 0.00 177.00 176.37 2kpj n ARG 50 N -3.32 0.28 0.08 4.56 1.74 -1.26 -4.69 116.66 114.04 2kpj n ARG 50 Ca 0.11 -1.63 0.14 0.00 -0.77 0.00 0.00 57.85 55.70 2kpj n ARG 50 Cb 0.52 -0.35 0.64 0.00 -1.02 0.00 0.00 32.46 32.25 2kpj n ARG 50 CO 0.00 0.00 0.00 0.52 -1.52 0.00 0.00 177.63 176.63 2kpj h MET 51 N 0.00 0.07 -0.63 5.56 2.86 -1.98 0.14 114.93 120.95 2kpj h MET 51 Ca -0.19 -0.00 -0.06 0.00 -2.06 0.00 0.00 59.70 57.38 2kpj h MET 51 Cb 0.72 -0.02 -0.03 0.00 0.06 0.00 0.00 31.60 32.34 2kpj h MET 51 CO 0.21 0.05 0.14 0.78 1.06 0.00 0.00 176.91 179.15 2kpj h GLY 52 N 0.07 1.08 0.29 8.32 0.00 -2.01 -2.57 103.07 108.25 2kpj h GLY 52 Ca 0.16 -0.66 -0.30 0.00 0.00 0.00 0.00 47.33 46.54 2kpj h GLY 52 CO -0.01 0.62 -2.12 0.28 0.00 0.00 0.00 176.54 175.30 2kpj n LYS 53 N -4.24 0.67 -0.19 4.80 4.01 -0.39 -4.00 118.16 118.82 2kpj n LYS 53 Ca 0.05 0.05 0.02 0.00 -0.51 0.00 0.00 58.31 57.92 2kpj n LYS 53 Cb 0.25 -1.60 0.28 0.00 -0.51 0.00 0.00 35.03 33.45 2kpj n LYS 53 CO 0.00 0.00 0.00 0.28 -1.11 0.00 0.00 177.40 176.57 2kpj h VAL 54 N 0.00 1.16 -0.78 -0.18 2.07 -0.82 -1.04 116.25 116.66 2kpj h VAL 54 Ca -0.41 -0.32 0.02 0.00 0.82 0.00 0.00 66.70 66.81 2kpj h VAL 54 Cb 2.01 0.14 -0.04 0.00 -1.52 0.00 0.00 31.29 31.88 2kpj h VAL 54 CO 0.04 0.17 0.51 -0.61 0.02 0.00 0.00 177.57 177.70 2kpj h GLN 55 N 0.94 0.99 -0.39 1.57 5.75 -1.60 0.08 115.11 122.45 2kpj h GLN 55 Ca 0.27 -0.06 -0.14 0.00 -0.15 0.00 0.00 58.65 58.57 2kpj h GLN 55 Cb -0.07 -0.22 -0.01 0.00 1.07 0.00 0.00 27.48 28.25 2kpj h GLN 55 CO -0.06 0.65 -0.30 0.00 -2.65 0.00 0.00 178.83 176.47 2kpj h ALA 56 N 1.31 0.56 0.07 3.38 0.00 -1.48 -2.08 119.26 121.02 2kpj h ALA 56 Ca 0.30 -0.42 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 2kpj h ALA 56 Cb -0.05 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.61 2kpj h ALA 56 CO -0.09 0.60 -0.03 -0.07 0.00 0.00 0.00 179.25 179.66 2kpj h LEU 57 N 0.70 -0.08 -1.25 0.00 3.38 -0.84 0.37 115.31 117.58 2kpj h LEU 57 Ca 0.07 -0.16 -0.03 0.00 0.09 0.00 0.00 57.88 57.85 2kpj h LEU 57 Cb 0.88 0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.63 2kpj h LEU 57 CO 0.08 0.11 0.15 0.00 0.09 0.00 0.00 178.44 178.87 2kpj h ALA 58 N 0.64 1.41 -0.20 1.53 0.00 -1.01 -1.83 119.26 119.80 2kpj h ALA 58 Ca -0.01 -0.15 -0.10 0.00 0.00 0.00 0.00 54.91 54.65 2kpj h ALA 58 Cb 0.23 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 2kpj h ALA 58 CO 0.02 0.44 -0.26 0.22 0.00 0.00 0.00 179.25 179.67 2kpj h ASP 59 N 0.66 0.57 -0.37 0.00 3.58 -1.21 0.59 116.42 120.23 2kpj h ASP 59 Ca 0.16 -0.51 -0.07 0.00 0.42 0.00 0.00 57.03 57.03 2kpj h ASP 59 Cb 0.18 -0.16 -0.02 0.00 1.72 0.00 0.00 39.33 41.05 2kpj h ASP 59 CO -0.01 0.96 -0.02 0.22 -2.88 0.00 0.00 179.24 177.52 2kpj h TYR 60 N 0.19 0.81 -0.01 0.28 3.20 -0.56 -2.11 116.97 118.77 2kpj h TYR 60 Ca 0.02 -0.11 0.00 0.00 3.14 0.00 0.00 58.73 61.78 2kpj h TYR 60 Cb 0.83 -0.22 0.00 0.00 1.54 0.00 0.00 36.73 38.88 2kpj h TYR 60 CO 0.09 0.76 -0.24 1.19 -1.64 0.00 0.00 178.16 178.31 2kpj n PHE 61 N -4.21 0.00 -3.65 -3.82 3.72 -0.72 -4.95 117.46 103.82 2kpj n PHE 61 Ca 0.02 0.00 -0.21 0.00 -0.05 0.00 0.00 57.45 57.21 2kpj n PHE 61 Cb 0.30 -0.10 0.05 0.00 -0.94 0.00 0.00 39.48 38.79 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 -0.53 -1.80 -3.65 4.37 4.05 -0.54 -5.00 115.26 112.16 2kpj n ASN 62 Ca 0.13 -0.76 -0.22 0.00 0.45 0.00 0.00 54.58 54.17 2kpj n ASN 62 Cb 0.36 -4.32 -0.06 0.00 1.23 0.00 0.00 39.78 36.99 2kpj n ASN 62 CO 0.00 0.00 0.00 2.30 -3.05 0.00 0.00 177.26 176.51 2kpj n ILE 63 N -4.30 0.00 -3.68 -1.44 -5.35 0.09 -5.03 119.36 99.65 2kpj n ILE 63 Ca -0.26 -1.93 -0.21 0.00 -0.27 0.00 0.00 62.75 60.08 2kpj n ILE 63 Cb 0.66 0.59 -0.01 0.00 -1.74 0.00 0.00 39.64 39.14 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 -3.10 6.19 0.39 7.28 0.01 -1.26 -4.61 114.94 119.85 2kpj s ASN 64 Ca 0.11 0.08 0.09 0.00 -0.71 0.00 0.00 52.86 52.44 2kpj s ASN 64 Cb 0.01 -1.70 0.81 0.00 0.41 0.00 0.00 41.25 40.77 2kpj s ASN 64 CO 0.08 -0.24 1.94 0.07 -1.51 0.00 0.00 177.10 177.44 2kpj h LYS 65 N 0.98 0.26 0.00 -0.60 2.10 -1.95 -2.48 116.57 114.88 2kpj h LYS 65 Ca -0.50 -0.05 -0.05 0.00 -2.00 0.00 0.00 60.65 58.05 2kpj h LYS 65 Cb 1.24 -0.04 -0.01 0.00 -0.90 0.00 0.00 32.23 32.52 2kpj h LYS 65 CO 0.59 0.36 -0.25 1.03 -2.00 0.00 0.00 179.45 179.17 2kpj h SER 66 N 0.25 0.00 0.49 7.07 0.87 -1.97 -2.46 113.55 117.81 2kpj h SER 66 Ca 0.05 0.00 -0.04 0.00 -1.23 0.00 0.00 61.79 60.57 2kpj h SER 66 Cb 0.31 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.27 2kpj h SER 66 CO 0.02 0.25 -0.19 0.44 -0.53 0.00 0.00 176.83 176.81 2kpj h ASP 67 N 0.00 0.00 0.45 6.23 3.32 -1.73 0.22 116.42 124.91 2kpj h ASP 67 Ca -0.00 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 56.94 2kpj h ASP 67 Cb 0.51 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.04 2kpj h ASP 67 CO 0.03 0.19 -1.64 0.18 -1.72 0.00 0.00 179.24 176.28 2kpj n LEU 68 N -3.68 0.47 -0.08 1.55 4.77 -0.96 -4.55 117.00 114.52 2kpj n LEU 68 Ca -0.01 0.20 -0.15 0.00 -0.03 0.00 0.00 56.01 56.01 2kpj n LEU 68 Cb 0.31 0.09 -0.10 0.00 -2.33 0.00 0.00 43.42 41.39 2kpj n LEU 68 CO 0.33 0.08 -0.09 0.40 -1.33 0.00 0.00 177.39 176.78 2kpj h ILE 69 N 0.00 1.11 -2.96 -0.08 2.04 -0.99 -3.35 117.51 113.28 2kpj h ILE 69 Ca -0.14 -2.04 -0.54 0.00 1.00 0.00 0.00 64.86 63.15 2kpj h ILE 69 Cb 1.38 2.31 -0.02 0.00 -0.74 0.00 0.00 36.82 39.75 2kpj h ILE 69 CO 0.02 0.38 -0.29 -1.61 0.00 0.00 0.00 178.15 176.64 2kpj s GLU 70 N -2.22 3.55 0.77 2.37 2.02 0.01 -4.69 118.70 120.50 2kpj s GLU 70 Ca -0.21 -0.24 -0.09 0.00 0.02 0.00 0.00 54.97 54.45 2kpj s GLU 70 Cb 0.01 -2.80 0.08 0.00 0.10 0.00 0.00 34.13 31.52 2kpj s GLU 70 CO 0.55 0.37 1.10 0.34 0.02 0.00 0.00 175.26 177.64 2kpj s ASP 71 N -3.07 4.53 0.00 -0.19 2.15 -1.26 -4.74 116.67 114.09 2kpj s ASP 71 Ca 0.40 0.52 0.00 0.00 0.43 0.00 0.00 52.55 53.90 2kpj s ASP 71 Cb -0.11 -1.05 0.00 0.00 -0.30 0.00 0.00 42.92 41.46 2kpj s ASP 71 CO 0.29 -1.82 1.24 2.29 -0.17 0.00 0.00 175.17 176.99 2kpj n LYS 72 N -3.14 0.91 -0.16 4.34 2.85 -1.26 -4.14 118.16 117.57 2kpj n LYS 72 Ca 0.09 0.00 0.02 0.00 -1.05 0.00 0.00 58.31 57.37 2kpj n LYS 72 Cb 0.61 -1.04 0.09 0.00 -0.65 0.00 0.00 35.03 34.03 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 0.90 1.70 -2.03 -1.58 4.76 -1.26 -4.65 118.16 116.00 2kpj n LYS 73 Ca 0.00 -0.68 -0.42 0.00 -2.87 0.00 0.00 58.31 54.33 2kpj n LYS 73 Cb 0.46 -1.46 0.00 0.00 -1.84 0.00 0.00 35.03 32.19 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 0.09 6.23 0.00 -0.35 4.77 -1.26 -4.86 117.00 121.62 2kpj n LEU 74 Ca 0.06 -4.09 -0.02 0.00 -0.03 0.00 0.00 56.01 51.93 2kpj n LEU 74 Cb 0.34 -1.68 -0.01 0.00 -2.33 0.00 0.00 43.42 39.74 2kpj n LEU 74 CO 0.06 0.81 -0.01 0.59 -1.33 0.00 0.00 177.39 177.50 2kpj n ASN 75 N 6.77 1.49 -4.73 -1.43 3.02 -1.26 -5.12 115.26 114.00 2kpj n ASN 75 Ca 0.51 -1.17 -0.41 0.00 -0.03 0.00 0.00 54.58 53.48 2kpj n ASN 75 Cb 0.41 0.05 -0.04 0.00 -0.61 0.00 0.00 39.78 39.60 2kpj n ASN 75 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2kpj s ILE 76 N -1.41 4.31 -0.29 2.41 1.01 -1.26 -5.01 121.20 120.95 2kpj s ILE 76 Ca 0.01 1.86 -0.14 0.00 0.00 0.00 0.00 60.65 62.37 2kpj s ILE 76 Cb 0.00 -4.19 0.13 0.00 0.01 0.00 0.00 42.46 38.41 2kpj s ILE 76 CO 0.01 0.26 0.84 -0.62 0.00 0.00 0.00 174.94 175.43 2kpj s ASP 77 N 0.25 -0.76 0.24 3.58 2.15 -1.26 -5.15 116.67 115.72 2kpj s ASP 77 Ca 0.50 1.13 -0.29 0.00 0.43 0.00 0.00 52.55 54.32 2kpj s ASP 77 Cb -0.25 1.59 -0.15 0.00 -0.30 0.00 0.00 42.92 43.81 2kpj s ASP 77 CO 0.31 -0.17 0.97 0.35 -0.17 0.00 0.00 175.17 176.47 2kpj n THR 78 N 4.53 1.70 -3.57 1.71 -2.24 -1.26 -4.93 114.28 110.21 2kpj n THR 78 Ca -0.15 -0.42 -0.40 0.00 -2.27 0.00 0.00 64.05 60.80 2kpj n THR 78 Cb 0.55 -0.80 -0.07 0.00 -2.10 0.00 0.00 70.33 67.91 2kpj n THR 78 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 2kpj s VAL 79 N -0.82 4.41 0.00 2.28 1.01 -1.26 -5.02 120.40 121.01 2kpj s VAL 79 Ca 0.63 -2.72 0.00 0.00 0.00 0.00 0.00 61.98 59.90 2kpj s VAL 79 Cb -0.78 -3.81 0.00 0.00 0.00 0.00 0.00 36.38 31.79 2kpj s VAL 79 CO 0.57 -0.92 0.00 -0.81 0.00 0.00 0.00 175.10 173.94 2kpj n PRO 80 N 3.74 0.25 -2.99 2.72 -0.04 -1.26 -4.78 135.00 132.64 2kpj n PRO 80 Ca 0.09 0.00 -0.40 0.00 -0.04 0.00 0.00 63.50 63.15 2kpj n PRO 80 Cb 0.41 0.00 -0.04 0.00 -0.04 0.00 0.00 33.50 33.83 2kpj n PRO 80 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 2kpj s ILE 81 N -0.46 5.01 0.24 0.52 1.09 -1.26 -5.03 121.20 121.30 2kpj s ILE 81 Ca 0.00 1.55 -0.16 0.00 -1.10 0.00 0.00 60.65 60.94 2kpj s ILE 81 Cb 0.00 -4.09 0.01 0.00 -1.06 0.00 0.00 42.46 37.32 2kpj s ILE 81 CO 0.00 0.22 0.54 -0.70 -0.10 0.00 0.00 174.94 174.91 2kpj s GLU 82 N 0.92 1.54 0.03 2.79 2.12 -1.26 -5.12 118.70 119.71 2kpj s GLU 82 Ca 0.40 -1.06 -0.36 0.00 0.36 0.00 0.00 54.97 54.30 2kpj s GLU 82 Cb -0.18 0.52 -0.15 0.00 0.26 0.00 0.00 34.13 34.58 2kpj s GLU 82 CO 0.19 -0.66 1.57 0.45 -0.54 0.00 0.00 175.26 176.28 2kpj n SER 83 N -0.38 2.56 0.00 -1.70 2.88 -1.26 -4.95 113.62 110.76 2kpj n SER 83 Ca -0.05 1.08 0.00 0.00 -1.33 0.00 0.00 58.87 58.57 2kpj n SER 83 Cb 0.61 -1.29 0.00 0.00 -0.75 0.00 0.00 64.21 62.78 2kpj n SER 83 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2kpj n GLY 84 N 3.40 1.46 2.90 0.46 0.00 -1.26 -4.98 105.19 107.17 2kpj n GLY 84 Ca 0.20 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.11 2kpj n GLY 84 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 2kpj n TYR 85 N 0.00 -3.43 -2.46 1.61 9.36 -1.26 -4.51 117.16 116.47 2kpj n TYR 85 Ca 0.00 1.39 -0.04 0.00 3.32 0.00 0.00 57.90 62.57 2kpj n TYR 85 Cb 0.00 -3.90 0.01 0.00 -0.63 0.00 0.00 39.34 34.82 2kpj n TYR 85 CO 0.00 0.00 0.00 2.41 0.22 0.00 0.00 176.86 179.49 2kpj n THR 86 N -0.28 -8.81 -2.98 2.97 -1.04 -1.26 -5.01 114.28 97.88 2kpj n THR 86 Ca 0.10 0.82 -0.34 0.00 -2.04 0.00 0.00 64.05 62.59 2kpj n THR 86 Cb 0.47 -6.35 -0.06 0.00 -1.82 0.00 0.00 70.33 62.57 2kpj n THR 86 CO 0.00 0.00 0.00 -1.48 -0.64 0.00 0.00 175.07 172.95 2kpj s LEU 87 N -1.93 4.16 0.53 -4.42 0.05 -1.26 -5.06 118.68 110.74 2kpj s LEU 87 Ca 0.14 1.53 -0.07 0.00 0.05 0.00 0.00 54.13 55.78 2kpj s LEU 87 Cb -0.04 -4.06 -0.03 0.00 -2.05 0.00 0.00 46.19 40.00 2kpj s LEU 87 CO 0.56 -0.16 0.86 -0.70 -0.55 0.00 0.00 176.35 176.37 2kpj s GLU 88 N -2.60 3.52 -0.21 1.48 2.56 -1.26 -4.99 118.70 117.20 2kpj s GLU 88 Ca 0.53 0.35 -0.29 0.00 0.00 0.00 0.00 54.97 55.56 2kpj s GLU 88 Cb -0.13 -2.28 -0.04 0.00 2.00 0.00 0.00 34.13 33.68 2kpj s GLU 88 CO 0.18 -0.34 1.82 -1.01 -0.56 0.00 0.00 175.26 175.35 2kpj s HIS 89 N -2.89 1.74 -0.60 5.30 3.76 -1.26 -4.94 115.29 116.41 2kpj s HIS 89 Ca 0.50 0.44 -0.28 0.00 -0.15 0.00 0.00 55.06 55.57 2kpj s HIS 89 Cb -0.10 -4.04 0.03 0.00 1.11 0.00 0.00 32.58 29.58 2kpj s HIS 89 CO 0.48 -3.50 1.18 -1.01 -0.85 0.00 0.00 174.74 171.04 2kpj s HIS 90 N 6.13 2.58 0.00 1.40 3.76 -1.26 -4.87 115.29 123.03 2kpj s HIS 90 Ca 0.81 0.32 0.00 0.00 -0.15 0.00 0.00 55.06 56.04 2kpj s HIS 90 Cb -0.28 -4.49 0.00 0.00 1.11 0.00 0.00 32.58 28.92 2kpj s HIS 90 CO 0.33 -1.62 0.00 1.58 -0.85 0.00 0.00 174.74 174.17 2kpj n HIS 91 N 8.46 0.00 -4.10 1.40 -0.00 -1.26 -5.09 115.22 114.64 2kpj n HIS 91 Ca 0.07 0.00 -0.08 0.00 -0.00 0.00 0.00 57.72 57.71 2kpj n HIS 91 Cb 0.49 0.00 -0.10 0.00 -0.00 0.00 0.00 29.99 30.38 2kpj n HIS 91 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2kpj s HIS 92 N -0.85 0.58 0.06 1.57 3.76 -1.26 -5.12 115.29 114.03 2kpj s HIS 92 Ca 0.00 -0.97 0.05 0.00 -0.15 0.00 0.00 55.06 53.99 2kpj s HIS 92 Cb 0.00 -0.40 -0.03 0.00 1.11 0.00 0.00 32.58 33.26 2kpj s HIS 92 CO 0.00 -0.30 -0.13 -3.38 -0.85 0.00 0.00 174.74 170.08 2kpj s HIS 93 N -3.54 1.12 -2.46 1.40 -3.43 -1.26 -4.02 115.29 103.09 2kpj s HIS 93 Ca 0.05 -0.45 0.20 0.00 -0.80 0.00 0.00 55.06 54.06 2kpj s HIS 93 Cb 0.05 -0.64 0.16 0.00 -1.43 0.00 0.00 32.58 30.72 2kpj s HIS 93 CO -0.08 0.03 1.12 1.58 -2.00 0.00 0.00 174.74 175.40