#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kjc h THR 10 N 0.00 1.45 -0.10 3.41 1.35 -2.05 -3.01 112.91 113.95 2kjc h THR 10 Ca 0.00 -3.15 -0.07 0.00 -0.55 0.00 0.00 66.41 62.64 2kjc h THR 10 Cb 0.00 2.77 0.00 0.00 -1.73 0.00 0.00 68.15 69.20 2kjc h THR 10 CO 0.00 0.86 -0.22 0.44 -0.25 0.00 0.00 175.52 176.34 2kjc h ASP 11 N 0.02 0.37 0.81 5.36 5.19 -2.05 -2.91 116.42 123.21 2kjc h ASP 11 Ca -0.11 -0.57 -0.04 0.00 -0.62 0.00 0.00 57.03 55.69 2kjc h ASP 11 Cb 1.88 -0.11 0.01 0.00 0.18 0.00 0.00 39.33 41.29 2kjc h ASP 11 CO 0.14 0.87 -0.39 0.74 -3.12 0.00 0.00 179.24 177.48 2kjc h THR 12 N -0.11 0.00 -0.49 0.35 2.02 -2.00 0.72 112.91 113.39 2kjc h THR 12 Ca 0.00 -0.13 0.14 0.00 0.77 0.00 0.00 66.41 67.19 2kjc h THR 12 Cb 0.82 0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 67.21 2kjc h THR 12 CO 0.05 0.00 0.74 0.25 0.37 0.00 0.00 175.52 176.93 2kjc h LEU 13 N -1.22 0.00 0.00 2.58 5.85 -1.65 0.17 115.31 121.05 2kjc h LEU 13 Ca -0.11 0.00 -0.09 0.00 0.84 0.00 0.00 57.88 58.52 2kjc h LEU 13 Cb 0.83 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.85 2kjc h LEU 13 CO 0.18 0.00 -0.48 -0.08 -0.34 0.00 0.00 178.44 177.72 2kjc h GLU 14 N 0.00 0.00 -0.21 1.25 4.57 -1.23 -3.36 114.58 115.60 2kjc h GLU 14 Ca 0.23 0.00 0.05 0.00 -1.18 0.00 0.00 59.36 58.47 2kjc h GLU 14 Cb 1.71 0.00 -0.07 0.00 -0.16 0.00 0.00 28.75 30.23 2kjc h GLU 14 CO -0.00 0.90 -0.37 -0.09 -1.18 0.00 0.00 179.01 178.27 2kjc h ARG 15 N -1.00 -0.38 -0.99 1.92 2.43 0.17 -0.98 114.38 115.55 2kjc h ARG 15 Ca -0.13 0.03 0.33 0.00 -0.81 0.00 0.00 59.98 59.40 2kjc h ARG 15 Cb 1.04 0.09 -0.15 0.00 -0.42 0.00 0.00 29.97 30.52 2kjc h ARG 15 CO -0.08 -0.26 0.53 -0.39 -1.51 0.00 0.00 179.97 178.26 2kjc h VAL 16 N -0.40 0.25 -0.80 0.20 -1.51 -1.54 0.47 116.25 112.91 2kjc h VAL 16 Ca 0.11 -0.09 0.08 0.00 -1.23 0.00 0.00 66.70 65.57 2kjc h VAL 16 Cb 0.58 -0.03 -0.07 0.00 -2.13 0.00 0.00 31.29 29.64 2kjc h VAL 16 CO -0.43 0.05 0.47 0.74 -1.23 0.00 0.00 177.57 177.16 2kjc h THR 17 N 0.26 0.95 0.00 7.19 2.02 -1.31 0.12 112.91 122.14 2kjc h THR 17 Ca 0.73 -0.28 0.00 0.00 0.77 0.00 0.00 66.41 67.63 2kjc h THR 17 Cb 1.71 0.07 0.00 0.00 -1.74 0.00 0.00 68.15 68.18 2kjc h THR 17 CO -0.64 0.15 0.00 -0.08 0.37 0.00 0.00 175.52 175.32 2kjc h GLU 18 N 0.81 0.00 0.04 6.66 4.81 -0.04 -2.22 114.58 124.65 2kjc h GLU 18 Ca 0.37 0.00 -0.27 0.00 -0.13 0.00 0.00 59.36 59.33 2kjc h GLU 18 Cb 0.28 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.63 2kjc h GLU 18 CO -0.22 0.00 -1.44 0.82 -0.73 0.00 0.00 179.01 177.44 2kjc h ILE 19 N 0.00 1.21 0.00 2.32 2.04 -0.63 -3.19 117.51 119.26 2kjc h ILE 19 Ca 0.00 -2.94 0.00 0.00 1.00 0.00 0.00 64.86 62.92 2kjc h ILE 19 Cb 0.25 2.66 0.00 0.00 -0.74 0.00 0.00 36.82 38.99 2kjc h ILE 19 CO 0.00 0.76 0.00 0.49 0.00 0.00 0.00 178.15 179.40 2kjc n PHE 20 N -3.28 0.59 -0.04 1.37 3.72 -0.83 -3.33 117.46 115.66 2kjc n PHE 20 Ca -0.12 0.18 -0.10 0.00 -0.05 0.00 0.00 57.45 57.36 2kjc n PHE 20 Cb 1.01 -0.79 -0.14 0.00 -0.94 0.00 0.00 39.48 38.62 2kjc n PHE 20 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 2kjc n LYS 21 N -1.99 0.65 0.00 -1.08 5.02 -1.08 -3.98 118.16 115.71 2kjc n LYS 21 Ca 0.06 0.22 0.03 0.00 -2.02 0.00 0.00 58.31 56.60 2kjc n LYS 21 Cb 0.38 -1.72 0.13 0.00 -0.02 0.00 0.00 35.03 33.80 2kjc n LYS 21 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2kjc n ALA 22 N -2.63 1.32 0.85 7.82 0.00 -1.21 -1.28 120.51 125.39 2kjc n ALA 22 Ca -0.22 -0.02 0.14 0.00 0.00 0.00 0.00 53.44 53.34 2kjc n ALA 22 Cb 1.08 -1.10 0.52 0.00 0.00 0.00 0.00 19.45 19.95 2kjc n ALA 22 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2kjc n LEU 23 N -1.45 0.34 0.00 0.00 4.77 -1.26 -4.85 117.00 114.56 2kjc n LEU 23 Ca 0.02 0.51 0.00 0.00 -0.03 0.00 0.00 56.01 56.51 2kjc n LEU 23 Cb 0.07 -0.42 0.00 0.00 -2.33 0.00 0.00 43.42 40.74 2kjc n LEU 23 CO 0.05 -0.07 0.00 0.61 -1.33 0.00 0.00 177.39 176.66 2kjc n GLY 24 N 1.42 -2.78 2.75 -0.72 0.00 -0.40 -4.77 105.19 100.68 2kjc n GLY 24 Ca 0.06 -0.94 -0.01 0.00 0.00 0.00 0.00 46.02 45.13 2kjc n GLY 24 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2kjc n ASP 25 N -0.66 -6.21 -0.35 1.61 8.00 -1.26 -4.65 116.55 113.04 2kjc n ASP 25 Ca 0.00 1.32 0.11 0.00 0.71 0.00 0.00 54.79 56.93 2kjc n ASP 25 Cb 0.00 -4.92 0.30 0.00 -0.02 0.00 0.00 41.12 36.48 2kjc n ASP 25 CO 0.00 0.00 0.00 0.10 -0.39 0.00 0.00 177.20 176.91 2kjc h TYR 26 N 3.41 1.08 -0.71 1.24 -0.00 -2.01 -0.07 116.97 119.90 2kjc h TYR 26 Ca -0.13 0.03 0.03 0.00 -0.00 0.00 0.00 58.73 58.67 2kjc h TYR 26 Cb 0.38 -0.33 -0.04 0.00 -0.00 0.00 0.00 36.73 36.74 2kjc h TYR 26 CO 0.01 0.32 0.47 -2.95 -0.00 0.00 0.00 178.16 176.01 2kjc h ASN 27 N 0.84 0.75 0.20 0.10 7.08 -1.98 -1.07 115.58 121.50 2kjc h ASN 27 Ca 0.54 -0.01 -0.06 0.00 -3.08 0.00 0.00 56.30 53.69 2kjc h ASN 27 Cb 0.74 -0.17 -0.01 0.00 -2.08 0.00 0.00 38.32 36.80 2kjc h ASN 27 CO -0.32 0.51 -0.25 -0.09 -2.08 0.00 0.00 177.43 175.20 2kjc h ARG 28 N 0.87 0.10 -0.14 4.14 1.12 -1.27 -2.44 114.38 116.75 2kjc h ARG 28 Ca 0.28 -0.03 -0.04 0.00 -1.11 0.00 0.00 59.98 59.09 2kjc h ARG 28 Cb 0.06 -0.01 -0.01 0.00 -0.01 0.00 0.00 29.97 30.00 2kjc h ARG 28 CO -0.08 0.35 -0.07 0.82 -3.11 0.00 0.00 179.97 177.88 2kjc h ILE 29 N 0.09 1.14 -0.23 1.20 1.08 -1.06 -1.99 117.51 117.74 2kjc h ILE 29 Ca 0.02 -0.60 -0.05 0.00 -0.39 0.00 0.00 64.86 63.83 2kjc h ILE 29 Cb 0.50 1.12 -0.01 0.00 -3.07 0.00 0.00 36.82 35.35 2kjc h ILE 29 CO 0.04 0.19 -0.10 0.03 -0.69 0.00 0.00 178.15 177.62 2kjc h ARG 30 N 0.21 0.37 0.00 2.37 3.08 -1.41 -1.43 114.38 117.57 2kjc h ARG 30 Ca 0.05 -0.09 -0.01 0.00 0.07 0.00 0.00 59.98 59.99 2kjc h ARG 30 Cb 0.27 -0.05 -0.00 0.00 0.08 0.00 0.00 29.97 30.27 2kjc h ARG 30 CO 0.01 0.48 -0.07 0.82 -1.07 0.00 0.00 179.97 180.14 2kjc h ILE 31 N 0.35 0.12 -0.30 2.04 5.03 -1.45 -3.03 117.51 120.26 2kjc h ILE 31 Ca 0.07 -1.14 -0.18 0.00 -0.12 0.00 0.00 64.86 63.49 2kjc h ILE 31 Cb 0.39 2.03 -0.00 0.00 -3.03 0.00 0.00 36.82 36.22 2kjc h ILE 31 CO 0.02 0.07 -0.53 -0.03 -0.68 0.00 0.00 178.15 177.00 2kjc h MET 32 N 0.00 0.89 0.00 2.37 4.05 -0.76 -2.13 114.93 119.35 2kjc h MET 32 Ca -0.00 -0.55 -0.08 0.00 -0.28 0.00 0.00 59.70 58.79 2kjc h MET 32 Cb 1.03 0.06 -0.01 0.00 -0.80 0.00 0.00 31.60 31.88 2kjc h MET 32 CO 0.01 1.19 -0.37 1.05 0.23 0.00 0.00 176.91 179.02 2kjc h GLU 33 N 0.69 0.00 0.40 0.39 4.11 -1.48 -3.08 114.58 115.60 2kjc h GLU 33 Ca 0.02 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.43 2kjc h GLU 33 Cb 1.14 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.39 2kjc h GLU 33 CO 0.12 0.37 -0.19 1.25 0.07 0.00 0.00 179.01 180.63 2kjc h LEU 34 N 0.00 -0.46 -2.12 3.06 5.85 -1.40 -3.14 115.31 117.10 2kjc h LEU 34 Ca -0.00 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.73 2kjc h LEU 34 Cb 1.03 0.12 0.00 0.00 0.37 0.00 0.00 40.66 42.18 2kjc h LEU 34 CO 0.05 -0.03 0.27 -0.07 -0.34 0.00 0.00 178.44 178.32 2kjc h LEU 35 N -1.12 0.00 0.03 2.25 3.38 -1.48 -0.75 115.31 117.61 2kjc h LEU 35 Ca -0.06 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.91 2kjc h LEU 35 Cb 0.41 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.16 2kjc h LEU 35 CO 0.09 0.00 -0.01 0.28 0.09 0.00 0.00 178.44 178.89 2kjc h SER 36 N 0.00 -0.03 -0.69 -0.43 0.02 -1.49 -3.21 113.55 107.71 2kjc h SER 36 Ca 0.00 -0.39 -0.06 0.00 -0.84 0.00 0.00 61.79 60.50 2kjc h SER 36 Cb 0.55 0.01 -0.03 0.00 0.14 0.00 0.00 62.40 63.07 2kjc h SER 36 CO 0.00 0.37 0.19 0.58 -1.14 0.00 0.00 176.83 176.83 2kjc h VAL 37 N -0.45 1.26 -1.36 2.27 2.07 -1.13 -3.46 116.25 115.45 2kjc h VAL 37 Ca -0.00 -0.93 0.14 0.00 0.82 0.00 0.00 66.70 66.73 2kjc h VAL 37 Cb 0.42 0.55 -0.25 0.00 -1.52 0.00 0.00 31.29 30.48 2kjc h VAL 37 CO 0.01 0.36 0.70 -0.44 0.02 0.00 0.00 177.57 178.22 2kjc s SER 38 N -6.38 -0.24 1.07 0.57 0.01 -0.98 -5.15 113.70 102.60 2kjc s SER 38 Ca -0.12 0.29 -0.14 0.00 1.31 0.00 0.00 55.95 57.29 2kjc s SER 38 Cb 0.14 0.23 0.17 0.00 0.21 0.00 0.00 66.02 66.77 2kjc s SER 38 CO 0.84 -0.21 0.66 -1.84 0.41 0.00 0.00 173.24 173.11 2kjc n GLU 39 N 0.78 -1.44 -3.58 12.44 0.28 -1.26 -3.99 120.64 123.87 2kjc n GLU 39 Ca -0.07 -0.38 -0.17 0.00 -0.16 0.00 0.00 57.16 56.38 2kjc n GLU 39 Cb 0.58 -2.03 -0.07 0.00 1.43 0.00 0.00 31.44 31.36 2kjc n GLU 39 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2kjc s ALA 40 N -2.41 -1.52 0.31 -1.84 0.00 -1.26 -4.96 121.76 110.10 2kjc s ALA 40 Ca 0.63 1.04 -0.03 0.00 0.00 0.00 0.00 51.96 53.60 2kjc s ALA 40 Cb -0.21 0.05 -0.04 0.00 0.00 0.00 0.00 23.12 22.92 2kjc s ALA 40 CO 0.64 -0.36 0.55 -1.12 0.00 0.00 0.00 175.76 175.48 2kjc s SER 41 N -1.29 6.38 0.22 0.00 0.01 -1.26 -4.45 113.70 113.30 2kjc s SER 41 Ca -0.11 0.61 -0.13 0.00 1.31 0.00 0.00 55.95 57.63 2kjc s SER 41 Cb -0.01 -2.10 0.26 0.00 0.21 0.00 0.00 66.02 64.38 2kjc s SER 41 CO 0.08 -0.24 1.61 0.58 0.41 0.00 0.00 173.24 175.68 2kjc h VAL 42 N 1.09 0.28 -0.14 3.43 2.07 -2.00 0.24 116.25 121.23 2kjc h VAL 42 Ca -0.48 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.08 2kjc h VAL 42 Cb 1.20 0.28 -0.01 0.00 -1.52 0.00 0.00 31.29 31.25 2kjc h VAL 42 CO 0.64 0.00 0.13 1.23 0.02 0.00 0.00 177.57 179.60 2kjc h GLY 43 N -0.02 0.00 2.00 2.17 0.00 -1.98 -1.63 103.07 103.61 2kjc h GLY 43 Ca 0.33 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 47.56 2kjc h GLY 43 CO -0.72 0.00 -0.46 0.45 0.00 0.00 0.00 176.54 175.81 2kjc h HIS 44 N 0.00 0.00 -0.10 5.60 -0.00 -0.89 -2.92 115.15 116.85 2kjc h HIS 44 Ca 0.07 0.00 -0.07 0.00 -0.00 0.00 0.00 60.37 60.37 2kjc h HIS 44 Cb 0.34 0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 27.73 2kjc h HIS 44 CO 0.00 0.46 -0.25 0.82 -0.00 0.00 0.00 177.93 178.96 2kjc h ILE 45 N 0.00 1.23 -1.05 2.45 5.03 -1.27 -2.90 117.51 121.00 2kjc h ILE 45 Ca -0.00 -1.06 0.29 0.00 -0.12 0.00 0.00 64.86 63.97 2kjc h ILE 45 Cb 0.87 1.44 -0.12 0.00 -3.03 0.00 0.00 36.82 35.98 2kjc h ILE 45 CO 0.06 0.32 0.65 0.77 -0.68 0.00 0.00 178.15 179.27 2kjc h SER 46 N 0.15 0.51 0.01 1.72 4.64 -1.60 0.98 113.55 119.95 2kjc h SER 46 Ca 0.02 0.12 -0.00 0.00 -0.47 0.00 0.00 61.79 61.47 2kjc h SER 46 Cb 0.54 0.05 -0.00 0.00 -0.31 0.00 0.00 62.40 62.68 2kjc h SER 46 CO 0.04 0.03 -0.00 0.45 -0.87 0.00 0.00 176.83 176.48 2kjc h HIS 47 N 0.41 0.00 0.00 4.77 3.86 -1.70 2.20 115.15 124.69 2kjc h HIS 47 Ca 0.66 0.00 -0.11 0.00 -1.16 0.00 0.00 60.37 59.76 2kjc h HIS 47 Cb 1.56 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 30.01 2kjc h HIS 47 CO -0.01 0.00 -1.14 1.04 0.86 0.00 0.00 177.93 178.69 2kjc n GLN 48 N -3.26 0.52 -0.06 2.45 3.00 0.33 -4.74 117.38 115.61 2kjc n GLN 48 Ca -0.03 0.36 -0.21 0.00 -0.01 0.00 0.00 57.00 57.11 2kjc n GLN 48 Cb 0.07 -1.56 -0.13 0.00 0.00 0.00 0.00 30.24 28.63 2kjc n GLN 48 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.06 176.99 2kjc h LEU 49 N -1.00 0.16 1.38 1.08 3.38 -1.06 -3.48 115.31 115.77 2kjc h LEU 49 Ca -0.16 -0.70 -0.34 0.00 0.09 0.00 0.00 57.88 56.76 2kjc h LEU 49 Cb 0.99 -0.05 -0.09 0.00 0.09 0.00 0.00 40.66 41.59 2kjc h LEU 49 CO -0.10 1.56 -0.36 -3.20 0.09 0.00 0.00 178.44 176.44 2kjc n ASN 50 N -4.15 -5.03 -0.09 -0.43 5.15 0.74 -4.98 115.26 106.48 2kjc n ASN 50 Ca -0.29 0.26 0.00 0.00 -0.60 0.00 0.00 54.58 53.95 2kjc n ASN 50 Cb 0.79 -4.06 0.00 0.00 -0.53 0.00 0.00 39.78 35.98 2kjc n ASN 50 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 2kjc n LEU 51 N -2.11 0.00 -4.73 1.20 4.77 -1.26 -5.04 117.00 109.83 2kjc n LEU 51 Ca -0.18 0.00 -0.42 0.00 -0.03 0.00 0.00 56.01 55.38 2kjc n LEU 51 Cb 0.59 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.65 2kjc n LEU 51 CO 0.25 0.00 0.87 -0.44 -1.33 0.00 0.00 177.39 176.74 2kjc s SER 52 N -1.00 7.12 0.28 -1.43 0.01 -1.26 -4.93 113.70 112.49 2kjc s SER 52 Ca 0.00 2.11 0.00 0.00 1.31 0.00 0.00 55.95 59.37 2kjc s SER 52 Cb 0.00 -2.59 0.41 0.00 0.21 0.00 0.00 66.02 64.04 2kjc s SER 52 CO 0.00 -0.39 1.78 0.06 0.41 0.00 0.00 173.24 175.10 2kjc h GLN 53 N 5.92 0.67 -0.05 12.44 3.07 -1.96 -2.10 115.11 133.09 2kjc h GLN 53 Ca -0.43 -0.19 0.01 0.00 0.09 0.00 0.00 58.65 58.14 2kjc h GLN 53 Cb 1.21 -0.07 -0.00 0.00 0.08 0.00 0.00 27.48 28.70 2kjc h GLN 53 CO 0.77 0.73 0.12 1.03 0.09 0.00 0.00 178.83 181.57 2kjc h SER 54 N 0.62 0.00 -0.42 0.06 0.87 -2.00 -0.41 113.55 112.27 2kjc h SER 54 Ca 0.12 0.00 -0.11 0.00 -1.23 0.00 0.00 61.79 60.57 2kjc h SER 54 Cb 0.47 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.42 2kjc h SER 54 CO 0.02 0.00 -0.17 -1.13 -0.53 0.00 0.00 176.83 175.02 2kjc h ASN 55 N 0.00 0.88 -0.51 6.23 -0.73 -1.77 -1.89 115.58 117.79 2kjc h ASN 55 Ca 0.02 -0.39 -0.12 0.00 1.87 0.00 0.00 56.30 57.69 2kjc h ASN 55 Cb 0.27 -0.24 -0.02 0.00 0.27 0.00 0.00 38.32 38.60 2kjc h ASN 55 CO -0.00 1.07 -0.14 0.58 -0.37 0.00 0.00 177.43 178.57 2kjc h VAL 56 N 0.68 1.27 0.77 2.57 2.07 -1.18 -1.58 116.25 120.84 2kjc h VAL 56 Ca 0.10 -1.30 -0.04 0.00 0.82 0.00 0.00 66.70 66.28 2kjc h VAL 56 Cb 0.72 1.05 0.01 0.00 -1.52 0.00 0.00 31.29 31.55 2kjc h VAL 56 CO 0.06 0.45 -0.37 0.28 0.02 0.00 0.00 177.57 178.01 2kjc h SER 57 N 0.85 -0.87 -0.91 0.57 0.02 -1.40 0.64 113.55 112.45 2kjc h SER 57 Ca 0.13 0.02 0.12 0.00 -0.84 0.00 0.00 61.79 61.22 2kjc h SER 57 Cb 0.71 0.23 -0.08 0.00 0.14 0.00 0.00 62.40 63.39 2kjc h SER 57 CO 0.05 -0.61 0.53 0.45 -1.14 0.00 0.00 176.83 176.12 2kjc h HIS 58 N -1.06 0.96 0.28 3.45 -0.00 -1.37 0.44 115.15 117.85 2kjc h HIS 58 Ca -0.11 0.03 -0.01 0.00 -0.00 0.00 0.00 60.37 60.28 2kjc h HIS 58 Cb 0.80 -0.29 0.00 0.00 -0.00 0.00 0.00 27.41 27.92 2kjc h HIS 58 CO -0.02 0.35 -0.14 0.37 -0.00 0.00 0.00 177.93 178.50 2kjc h GLN 59 N 0.83 -0.37 -0.30 2.45 -0.00 -1.06 -2.99 115.11 113.68 2kjc h GLN 59 Ca 0.46 0.02 0.08 0.00 -0.00 0.00 0.00 58.65 59.21 2kjc h GLN 59 Cb 0.50 0.08 -0.01 0.00 0.00 0.00 0.00 27.48 28.05 2kjc h GLN 59 CO -0.29 -0.03 0.21 1.25 0.00 0.00 0.00 178.83 179.98 2kjc h LEU 60 N -0.77 0.04 -1.53 -2.39 5.85 0.73 0.51 115.31 117.76 2kjc h LEU 60 Ca -0.04 0.00 0.01 0.00 0.84 0.00 0.00 57.88 58.69 2kjc h LEU 60 Cb 0.50 -0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.50 2kjc h LEU 60 CO 0.06 0.03 0.32 0.50 -0.34 0.00 0.00 178.44 179.01 2kjc h LYS 61 N 0.05 0.63 0.57 1.25 3.64 0.01 -0.14 116.57 122.57 2kjc h LYS 61 Ca 0.14 -0.04 -0.03 0.00 -1.27 0.00 0.00 60.65 59.46 2kjc h LYS 61 Cb 0.51 -0.14 0.01 0.00 -0.41 0.00 0.00 32.23 32.19 2kjc h LYS 61 CO -0.01 0.42 -0.27 1.25 -2.27 0.00 0.00 179.45 178.57 2kjc h LEU 62 N 0.65 -0.65 -0.99 5.20 6.46 -0.80 -2.94 115.31 122.23 2kjc h LEU 62 Ca 0.18 -0.04 0.14 0.00 -0.12 0.00 0.00 57.88 58.04 2kjc h LEU 62 Cb -0.06 0.17 -0.09 0.00 -0.73 0.00 0.00 40.66 39.95 2kjc h LEU 62 CO -0.04 -0.31 0.61 -0.07 -0.62 0.00 0.00 178.44 178.01 2kjc h LEU 63 N -1.01 0.87 -1.80 2.25 3.38 -1.43 0.19 115.31 117.76 2kjc h LEU 63 Ca -0.08 0.06 0.19 0.00 0.09 0.00 0.00 57.88 58.14 2kjc h LEU 63 Cb 0.65 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 41.25 2kjc h LEU 63 CO 0.13 0.42 0.52 0.50 0.09 0.00 0.00 178.44 180.09 2kjc h LYS 64 N 0.91 0.17 -0.06 1.13 3.64 -0.90 0.18 116.57 121.65 2kjc h LYS 64 Ca 0.52 -0.01 -0.22 0.00 -1.27 0.00 0.00 60.65 59.67 2kjc h LYS 64 Cb 0.60 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.39 2kjc h LYS 64 CO -0.30 0.12 -0.85 1.03 -2.27 0.00 0.00 179.45 177.17 2kjc h SER 65 N 0.18 0.66 0.00 4.20 0.87 -0.46 -2.89 113.55 116.12 2kjc h SER 65 Ca 0.37 -0.48 0.00 0.00 -1.23 0.00 0.00 61.79 60.45 2kjc h SER 65 Cb 1.17 -0.20 0.00 0.00 -0.44 0.00 0.00 62.40 62.93 2kjc h SER 65 CO -0.07 1.26 0.00 0.52 -0.53 0.00 0.00 176.83 178.01 2kjc n VAL 66 N -3.83 0.00 -0.67 2.23 0.31 0.61 -4.80 118.33 112.17 2kjc n VAL 66 Ca -0.07 0.00 -0.02 0.00 -0.01 0.00 0.00 64.34 64.25 2kjc n VAL 66 Cb 0.78 -0.27 -0.01 0.00 -0.91 0.00 0.00 33.84 33.44 2kjc n VAL 66 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2kjc n HIS 67 N -0.19 -0.48 0.48 3.52 1.44 -1.01 -4.65 115.22 114.33 2kjc n HIS 67 Ca 0.00 0.00 0.10 0.00 -2.01 0.00 0.00 57.72 55.81 2kjc n HIS 67 Cb 0.12 -1.07 0.42 0.00 0.12 0.00 0.00 29.99 29.58 2kjc n HIS 67 CO 0.00 0.00 0.00 -0.11 -2.81 0.00 0.00 176.34 173.42 2kjc n LEU 68 N -0.67 0.40 -4.09 2.39 0.00 -1.19 -4.77 117.00 109.06 2kjc n LEU 68 Ca -0.02 0.59 -0.08 0.00 0.00 0.00 0.00 56.01 56.51 2kjc n LEU 68 Cb 0.09 -0.53 -0.10 0.00 0.00 0.00 0.00 43.42 42.88 2kjc n LEU 68 CO 0.03 -0.39 -0.33 0.68 0.00 0.00 0.00 177.39 177.37 2kjc s VAL 69 N -3.17 0.18 0.05 1.96 -7.23 -1.26 -4.63 120.40 106.30 2kjc s VAL 69 Ca 0.06 -1.80 -0.07 0.00 -1.81 0.00 0.00 61.98 58.36 2kjc s VAL 69 Cb 0.10 -1.66 -0.01 0.00 0.56 0.00 0.00 36.38 35.37 2kjc s VAL 69 CO 0.36 -0.83 0.13 -0.75 -0.31 0.00 0.00 175.10 173.71 2kjc s LYS 70 N -3.95 0.67 0.30 4.82 2.20 -1.25 -4.81 119.74 117.72 2kjc s LYS 70 Ca 0.12 -0.79 -0.04 0.00 -0.36 0.00 0.00 55.97 54.89 2kjc s LYS 70 Cb 0.08 0.27 -0.01 0.00 -1.51 0.00 0.00 37.83 36.66 2kjc s LYS 70 CO -0.07 -0.18 0.42 0.00 -0.36 0.00 0.00 175.35 175.16 2kjc s ALA 71 N -2.95 0.65 0.04 3.13 0.00 -1.26 -3.12 121.76 118.24 2kjc s ALA 71 Ca -0.02 -1.42 -0.03 0.00 0.00 0.00 0.00 51.96 50.48 2kjc s ALA 71 Cb 0.01 1.18 -0.02 0.00 0.00 0.00 0.00 23.12 24.29 2kjc s ALA 71 CO -0.06 -0.77 0.04 0.21 0.00 0.00 0.00 175.76 175.17 2kjc s LYS 72 N -3.45 0.54 -0.08 0.00 2.20 -1.19 -5.07 119.74 112.70 2kjc s LYS 72 Ca 0.30 -0.86 -0.22 0.00 -0.36 0.00 0.00 55.97 54.84 2kjc s LYS 72 Cb 0.01 0.20 -0.04 0.00 -1.51 0.00 0.00 37.83 36.49 2kjc s LYS 72 CO 0.17 -0.12 0.65 1.03 -0.36 0.00 0.00 175.35 176.72 2kjc s ARG 73 N -2.76 4.41 -0.10 4.03 0.52 -1.26 -3.59 118.95 120.21 2kjc s ARG 73 Ca -0.04 0.78 -0.08 0.00 -0.52 0.00 0.00 55.73 55.87 2kjc s ARG 73 Cb -0.00 -3.45 0.03 0.00 0.52 0.00 0.00 34.95 32.05 2kjc s ARG 73 CO -0.05 0.08 0.26 -0.65 0.02 0.00 0.00 175.30 174.95 2kjc s GLN 74 N 0.77 0.28 0.31 3.54 -0.21 -1.21 -5.03 119.66 118.12 2kjc s GLN 74 Ca 0.35 0.40 -0.27 0.00 0.02 0.00 0.00 55.36 55.86 2kjc s GLN 74 Cb -0.17 0.09 -0.14 0.00 1.00 0.00 0.00 33.01 33.79 2kjc s GLN 74 CO 0.16 -0.06 0.88 0.41 -2.12 0.00 0.00 175.29 174.56 2kjc n GLY 75 N 3.22 -0.61 1.07 3.09 0.00 -1.26 -2.16 105.19 108.54 2kjc n GLY 75 Ca -0.15 0.27 0.00 0.00 0.00 0.00 0.00 46.02 46.13 2kjc n GLY 75 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2kjc n GLN 76 N 0.67 0.00 -3.58 1.61 7.27 -1.26 -4.93 117.38 117.16 2kjc n GLN 76 Ca 0.11 0.00 -0.07 0.00 0.07 0.00 0.00 57.00 57.11 2kjc n GLN 76 Cb 0.33 0.00 0.03 0.00 2.41 0.00 0.00 30.24 33.00 2kjc n GLN 76 CO 0.00 0.00 0.00 0.43 0.07 0.00 0.00 177.06 177.56 2kjc n SER 77 N 2.70 -1.97 -4.31 1.69 7.64 -0.92 -5.14 113.62 113.32 2kjc n SER 77 Ca 0.00 -2.28 -0.38 0.00 1.01 0.00 0.00 58.87 57.22 2kjc n SER 77 Cb 0.00 3.26 -0.12 0.00 -1.01 0.00 0.00 64.21 66.34 2kjc n SER 77 CO 0.00 0.00 0.00 -0.32 -3.01 0.00 0.00 175.04 171.71 2kjc s MET 78 N -2.07 2.78 0.07 1.43 1.75 -1.26 -3.28 119.30 118.71 2kjc s MET 78 Ca 0.16 -1.07 -0.28 0.00 -1.25 0.00 0.00 55.69 53.25 2kjc s MET 78 Cb -0.04 -3.47 -0.05 0.00 2.84 0.00 0.00 34.83 34.11 2kjc s MET 78 CO 0.09 -0.61 0.90 0.42 -0.65 0.00 0.00 175.02 175.18 2kjc s ILE 79 N 1.45 4.64 -0.01 10.11 -1.09 -1.24 -4.93 121.20 130.13 2kjc s ILE 79 Ca 0.00 1.93 0.03 0.00 -2.23 0.00 0.00 60.65 60.38 2kjc s ILE 79 Cb -0.19 -4.26 -0.03 0.00 -1.58 0.00 0.00 42.46 36.40 2kjc s ILE 79 CO 0.03 0.30 -0.07 -0.31 -1.23 0.00 0.00 174.94 173.66 2kjc s TYR 80 N 0.17 2.89 0.15 3.97 1.51 -1.26 -3.17 117.35 121.61 2kjc s TYR 80 Ca 0.45 -0.03 -0.05 0.00 -1.01 0.00 0.00 57.07 56.44 2kjc s TYR 80 Cb -0.22 -1.63 0.02 0.00 -0.11 0.00 0.00 41.96 40.02 2kjc s TYR 80 CO 0.27 0.36 0.28 0.45 -1.11 0.00 0.00 175.55 175.80 2kjc n SER 81 N 1.72 -0.81 -4.75 2.29 2.88 -1.18 -4.02 113.62 109.75 2kjc n SER 81 Ca -0.16 -1.65 -0.29 0.00 -1.33 0.00 0.00 58.87 55.44 2kjc n SER 81 Cb 0.53 1.38 0.14 0.00 -0.75 0.00 0.00 64.21 65.50 2kjc n SER 81 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 2kjc s LEU 82 N 0.00 2.02 -0.11 2.46 1.43 -1.26 -3.79 118.68 119.43 2kjc s LEU 82 Ca 0.07 0.93 -0.15 0.00 -1.03 0.00 0.00 54.13 53.96 2kjc s LEU 82 Cb -0.02 -3.24 -0.12 0.00 0.03 0.00 0.00 46.19 42.84 2kjc s LEU 82 CO 0.05 -2.57 0.44 0.44 0.23 0.00 0.00 176.35 174.94 2kjc h ASP 83 N -1.51 -0.04 0.00 2.29 3.32 -1.89 -3.42 116.42 115.17 2kjc h ASP 83 Ca -0.50 -0.43 0.00 0.00 0.02 0.00 0.00 57.03 56.12 2kjc h ASP 83 Cb 1.33 0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.89 2kjc h ASP 83 CO 0.61 0.66 0.00 -0.90 -1.72 0.00 0.00 179.24 177.89 2kjc n ASP 84 N -4.74 0.00 0.00 6.45 5.75 -1.26 -5.03 116.55 117.72 2kjc n ASP 84 Ca -0.05 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.73 2kjc n ASP 84 Cb 0.23 0.39 0.00 0.00 -1.03 0.00 0.00 41.12 40.70 2kjc n ASP 84 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2kjc n ILE 85 N -2.27 0.00 -0.14 2.12 3.06 -1.26 -4.94 119.36 115.93 2kjc n ILE 85 Ca 0.00 0.00 0.28 0.00 -2.50 0.00 0.00 62.75 60.53 2kjc n ILE 85 Cb 0.00 0.00 0.72 0.00 0.54 0.00 0.00 39.64 40.90 2kjc n ILE 85 CO 0.00 0.00 0.00 0.45 -2.50 0.00 0.00 176.55 174.50 2kjc h HIS 86 N 0.00 0.00 -0.04 9.51 3.86 -2.00 0.31 115.15 126.78 2kjc h HIS 86 Ca 0.00 0.00 -0.25 0.00 -1.16 0.00 0.00 60.37 58.96 2kjc h HIS 86 Cb 0.00 0.00 0.02 0.00 1.06 0.00 0.00 27.41 28.49 2kjc h HIS 86 CO 0.00 0.00 -0.96 -0.39 0.86 0.00 0.00 177.93 177.44 2kjc h VAL 87 N 0.00 1.29 0.00 2.45 -1.51 -1.96 -3.06 116.25 113.46 2kjc h VAL 87 Ca 0.40 -2.18 0.00 0.00 -1.23 0.00 0.00 66.70 63.69 2kjc h VAL 87 Cb 1.79 2.26 0.00 0.00 -2.13 0.00 0.00 31.29 33.21 2kjc h VAL 87 CO -0.00 0.68 0.00 0.00 -1.23 0.00 0.00 177.57 177.01 2kjc n ALA 88 N -2.63 1.59 0.02 5.19 0.00 0.10 -2.90 120.51 121.88 2kjc n ALA 88 Ca -0.10 0.11 -0.02 0.00 0.00 0.00 0.00 53.44 53.43 2kjc n ALA 88 Cb 0.84 -1.39 -0.01 0.00 0.00 0.00 0.00 19.45 18.89 2kjc n ALA 88 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 2kjc h THR 89 N 0.00 0.00 -0.89 0.00 2.02 -1.31 -3.18 112.91 109.56 2kjc h THR 89 Ca 0.00 -0.59 0.22 0.00 0.77 0.00 0.00 66.41 66.81 2kjc h THR 89 Cb 0.33 0.00 -0.06 0.00 -1.74 0.00 0.00 68.15 66.68 2kjc h THR 89 CO 0.00 0.00 0.60 -0.03 0.37 0.00 0.00 175.52 176.46 2kjc h MET 90 N -0.70 0.27 0.89 6.66 4.05 -1.58 -1.35 114.93 123.17 2kjc h MET 90 Ca -0.01 -0.02 -0.04 0.00 -0.28 0.00 0.00 59.70 59.35 2kjc h MET 90 Cb 0.09 -0.06 0.01 0.00 -0.80 0.00 0.00 31.60 30.83 2kjc h MET 90 CO 0.02 0.18 -0.45 1.25 0.23 0.00 0.00 176.91 178.13 2kjc h LEU 91 N 0.28 -1.09 0.81 3.39 5.85 -1.64 -2.90 115.31 120.01 2kjc h LEU 91 Ca 0.45 0.04 -0.04 0.00 0.84 0.00 0.00 57.88 59.18 2kjc h LEU 91 Cb 1.33 0.29 0.01 0.00 0.37 0.00 0.00 40.66 42.66 2kjc h LEU 91 CO -0.13 -0.75 -0.39 0.11 -0.34 0.00 0.00 178.44 176.94 2kjc h LYS 92 N -1.23 -1.05 -0.94 1.25 1.57 -1.34 -2.82 116.57 112.01 2kjc h LYS 92 Ca -0.12 0.07 0.27 0.00 -1.87 0.00 0.00 60.65 59.00 2kjc h LYS 92 Cb 0.95 0.24 -0.04 0.00 0.08 0.00 0.00 32.23 33.46 2kjc h LYS 92 CO 0.18 -0.70 1.19 1.96 -0.57 0.00 0.00 179.45 181.51 2kjc h GLN 93 N -1.17 0.00 0.13 3.15 1.08 -1.36 -0.19 115.11 116.75 2kjc h GLN 93 Ca -0.11 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.08 2kjc h GLN 93 Cb 0.84 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.27 2kjc h GLN 93 CO 0.18 0.00 -0.06 0.00 -0.95 0.00 0.00 178.83 178.00 2kjc h ALA 94 N 0.51 -0.28 -0.29 3.87 0.00 -1.28 -2.24 119.26 119.56 2kjc h ALA 94 Ca 0.45 -0.04 0.08 0.00 0.00 0.00 0.00 54.91 55.40 2kjc h ALA 94 Cb 2.82 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 20.66 2kjc h ALA 94 CO -0.00 -0.27 0.28 0.82 0.00 0.00 0.00 179.25 180.08 2kjc h ILE 95 N -0.59 0.54 0.13 0.00 1.08 -1.07 -0.90 117.51 116.70 2kjc h ILE 95 Ca -0.02 0.00 -0.28 0.00 -0.39 0.00 0.00 64.86 64.17 2kjc h ILE 95 Cb 0.13 0.79 0.01 0.00 -3.07 0.00 0.00 36.82 34.68 2kjc h ILE 95 CO 0.03 0.00 -1.24 0.45 -0.69 0.00 0.00 178.15 176.70 2kjc h HIS 96 N 0.00 0.60 0.23 1.37 3.86 -1.35 -3.35 115.15 116.51 2kjc h HIS 96 Ca 0.14 -0.42 0.00 0.00 -1.16 0.00 0.00 60.37 58.93 2kjc h HIS 96 Cb 0.69 -0.03 -0.03 0.00 1.06 0.00 0.00 27.41 29.10 2kjc h HIS 96 CO 0.00 1.31 -0.42 1.25 0.86 0.00 0.00 177.93 180.94 2kjc h HIS 97 N 0.11 -1.18 -1.18 2.45 -0.00 -0.51 1.40 115.15 116.23 2kjc h HIS 97 Ca -0.15 0.02 0.41 0.00 -0.00 0.00 0.00 60.37 60.66 2kjc h HIS 97 Cb 1.95 0.48 -0.15 0.00 -0.00 0.00 0.00 27.41 29.70 2kjc h HIS 97 CO 0.07 -0.50 0.72 0.00 -0.00 0.00 0.00 177.93 178.22 2kjc h ALA 98 N -0.90 2.44 -1.09 5.26 0.00 -1.70 -3.28 119.26 120.01 2kjc h ALA 98 Ca -0.03 0.17 -0.14 0.00 0.00 0.00 0.00 54.91 54.92 2kjc h ALA 98 Cb 0.65 0.23 -0.19 0.00 0.00 0.00 0.00 17.79 18.48 2kjc h ALA 98 CO -0.15 -1.12 -0.50 -0.80 0.00 0.00 0.00 179.25 176.68 2kjc s ASN 99 N -4.56 -1.28 0.50 0.00 0.01 -0.58 -5.15 114.94 103.88 2kjc s ASN 99 Ca -0.08 -1.38 -0.18 0.00 -0.71 0.00 0.00 52.86 50.51 2kjc s ASN 99 Cb 0.31 1.79 -0.08 0.00 0.41 0.00 0.00 41.25 43.68 2kjc s ASN 99 CO 0.80 -0.11 0.98 -1.38 -1.51 0.00 0.00 177.10 175.89 2kjc s HIS 100 N 1.27 3.38 0.28 2.20 -3.43 0.47 -4.71 115.29 114.74 2kjc s HIS 100 Ca 0.24 1.50 -0.29 0.00 -0.80 0.00 0.00 55.06 55.71 2kjc s HIS 100 Cb -0.02 -2.83 -0.09 0.00 -1.43 0.00 0.00 32.58 28.21 2kjc s HIS 100 CO -0.06 -0.38 1.07 -1.25 -2.00 0.00 0.00 174.74 172.12 2kjc s PRO 101 N -3.85 4.66 -0.87 -0.38 0.04 -1.26 -4.86 135.00 128.47 2kjc s PRO 101 Ca 0.60 1.73 -0.19 0.00 0.04 0.00 0.00 61.00 63.18 2kjc s PRO 101 Cb -0.10 -3.18 -0.23 0.00 0.04 0.00 0.00 34.50 31.04 2kjc s PRO 101 CO 0.27 0.26 2.34 1.63 0.04 0.00 0.00 177.00 181.54 2kjc n LYS 102 N 1.19 0.31 -0.30 4.56 5.02 -1.26 -5.22 118.16 122.45 2kjc n LYS 102 Ca -0.01 -0.33 0.00 0.00 -2.02 0.00 0.00 58.31 55.95 2kjc n LYS 102 Cb 0.45 -2.32 0.00 0.00 -0.02 0.00 0.00 35.03 33.15 2kjc n LYS 102 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97