#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 0.22 0.00 3.41 1.03 -2.06 -3.24 112.91 112.27 2kjc h THR 10 Ca 0.00 -1.34 0.00 0.00 -0.01 0.00 0.00 66.41 65.06 2kjc h THR 10 Cb 0.00 1.94 0.00 0.00 -1.07 0.00 0.00 68.15 69.02 2kjc h THR 10 CO 0.00 0.13 0.00 0.44 -0.01 0.00 0.00 175.52 176.08 2kjc h ASP 11 N 0.00 0.00 0.00 0.00 3.32 -2.06 -3.18 116.42 114.50 2kjc h ASP 11 Ca -0.02 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.03 2kjc h ASP 11 Cb 1.14 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.69 2kjc h ASP 11 CO 0.02 0.00 0.00 0.41 -1.72 0.00 0.00 179.24 177.95 2kjc n THR 12 N -2.95 0.00 -0.32 0.35 -1.04 -1.22 -2.47 114.28 106.62 2kjc n THR 12 Ca 0.01 1.01 0.20 0.00 -2.04 0.00 0.00 64.05 63.23 2kjc n THR 12 Cb 0.32 -1.99 0.41 0.00 -1.82 0.00 0.00 70.33 67.24 2kjc n THR 12 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 2kjc h LEU 13 N 0.00 0.17 0.19 -4.42 4.07 -1.74 0.22 115.31 113.80 2kjc h LEU 13 Ca 0.00 0.22 0.01 0.00 0.08 0.00 0.00 57.88 58.18 2kjc h LEU 13 Cb 0.00 0.25 -0.04 0.00 1.08 0.00 0.00 40.66 41.95 2kjc h LEU 13 CO 0.00 -0.22 -0.46 -0.33 -1.08 0.00 0.00 178.44 176.34 2kjc h GLU 14 N 0.19 -0.69 -0.04 1.13 4.39 -1.62 -2.56 114.58 115.37 2kjc h GLU 14 Ca 0.67 0.05 0.03 0.00 0.34 0.00 0.00 59.36 60.45 2kjc h GLU 14 Cb 1.52 0.16 -0.04 0.00 -0.10 0.00 0.00 28.75 30.29 2kjc h GLU 14 CO -0.69 -0.46 -0.17 0.00 -1.16 0.00 0.00 179.01 176.52 2kjc h ARG 15 N -0.72 -0.25 -0.53 2.33 3.08 -0.37 -1.01 114.38 116.91 2kjc h ARG 15 Ca -0.02 0.02 0.15 0.00 0.07 0.00 0.00 59.98 60.20 2kjc h ARG 15 Cb 0.69 0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.78 2kjc h ARG 15 CO -0.21 -0.17 0.95 0.28 -1.07 0.00 0.00 179.97 179.75 2kjc h VAL 16 N -0.26 0.05 0.22 2.04 2.07 -0.55 1.40 116.25 121.22 2kjc h VAL 16 Ca 0.07 0.00 -0.32 0.00 0.82 0.00 0.00 66.70 67.26 2kjc h VAL 16 Cb 0.35 0.17 0.03 0.00 -1.52 0.00 0.00 31.29 30.32 2kjc h VAL 16 CO -0.19 0.00 -1.49 0.74 0.02 0.00 0.00 177.57 176.65 2kjc h THR 17 N 0.00 1.19 0.00 2.57 2.02 -0.79 -3.27 112.91 114.63 2kjc h THR 17 Ca 0.25 -2.61 0.00 0.00 0.77 0.00 0.00 66.41 64.82 2kjc h THR 17 Cb 2.14 2.96 0.00 0.00 -1.74 0.00 0.00 68.15 71.51 2kjc h THR 17 CO -0.00 0.81 0.00 -0.08 0.37 0.00 0.00 175.52 176.62 2kjc h GLU 18 N 0.05 0.00 -0.23 6.66 4.81 0.20 -1.60 114.58 124.47 2kjc h GLU 18 Ca -0.28 0.00 -0.14 0.00 -0.13 0.00 0.00 59.36 58.81 2kjc h GLU 18 Cb 2.07 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 31.44 2kjc h GLU 18 CO 0.22 0.00 -0.44 0.82 -0.73 0.00 0.00 179.01 178.88 2kjc h ILE 19 N 0.00 1.30 0.21 2.32 1.08 -1.51 -2.67 117.51 118.24 2kjc h ILE 19 Ca 0.00 -1.63 -0.01 0.00 -0.39 0.00 0.00 64.86 62.83 2kjc h ILE 19 Cb 0.08 1.60 0.00 0.00 -3.07 0.00 0.00 36.82 35.43 2kjc h ILE 19 CO 0.00 0.51 -0.10 -0.26 -0.69 0.00 0.00 178.15 177.61 2kjc h PHE 20 N 0.47 -0.26 -0.46 1.37 0.04 -1.44 -2.91 116.94 113.75 2kjc h PHE 20 Ca 0.03 -0.01 0.13 0.00 2.80 0.00 0.00 57.97 60.93 2kjc h PHE 20 Cb 0.96 0.09 -0.02 0.00 2.20 0.00 0.00 35.95 39.18 2kjc h PHE 20 CO 0.04 -0.16 0.80 -0.22 -0.60 0.00 0.00 178.31 178.16 2kjc h LYS 21 N -0.56 0.00 0.02 1.51 3.64 -1.66 1.08 116.57 120.61 2kjc h LYS 21 Ca -0.03 0.00 -0.23 0.00 -1.27 0.00 0.00 60.65 59.12 2kjc h LYS 21 Cb 0.22 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.04 2kjc h LYS 21 CO 0.05 0.00 -0.97 0.00 -2.27 0.00 0.00 179.45 176.25 2kjc h ALA 22 N 0.83 0.36 0.00 5.00 0.00 -1.42 -3.08 119.26 120.95 2kjc h ALA 22 Ca 0.22 -0.74 0.00 0.00 0.00 0.00 0.00 54.91 54.39 2kjc h ALA 22 Cb 1.81 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.57 2kjc h ALA 22 CO -0.00 0.86 0.00 1.28 0.00 0.00 0.00 179.25 181.39 2kjc n LEU 23 N -3.69 0.00 0.00 0.00 4.77 0.37 -4.84 117.00 113.61 2kjc n LEU 23 Ca -0.06 0.00 -0.07 0.00 -0.03 0.00 0.00 56.01 55.85 2kjc n LEU 23 Cb 0.86 0.00 0.07 0.00 -2.33 0.00 0.00 43.42 42.01 2kjc n LEU 23 CO 0.51 0.00 0.08 0.61 -1.33 0.00 0.00 177.39 177.25 2kjc n GLY 24 N 0.50 -2.89 2.35 -0.72 0.00 -1.17 -4.73 105.19 98.53 2kjc n GLY 24 Ca 0.13 -0.95 -0.01 0.00 0.00 0.00 0.00 46.02 45.19 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 -2.70 -6.72 -0.21 1.61 9.92 -1.26 -4.51 116.55 112.67 2kjc n ASP 25 Ca 0.03 1.64 0.02 0.00 -0.53 0.00 0.00 54.79 55.95 2kjc n ASP 25 Cb 0.13 -4.43 0.27 0.00 -0.64 0.00 0.00 41.12 36.45 2kjc n ASP 25 CO 0.00 0.00 0.00 0.10 0.13 0.00 0.00 177.20 177.43 2kjc h TYR 26 N 4.27 0.90 -0.49 1.24 -0.00 -2.01 -1.40 116.97 119.48 2kjc h TYR 26 Ca -0.06 0.02 0.05 0.00 -0.00 0.00 0.00 58.73 58.73 2kjc h TYR 26 Cb 0.14 -0.30 -0.03 0.00 -0.00 0.00 0.00 36.73 36.54 2kjc h TYR 26 CO 0.00 0.55 0.33 -0.97 -0.00 0.00 0.00 178.16 178.06 2kjc h ASN 27 N 0.95 0.42 0.39 0.10 -0.73 -1.96 -0.68 115.58 114.07 2kjc h ASN 27 Ca 0.28 -0.00 -0.08 0.00 1.87 0.00 0.00 56.30 58.37 2kjc h ASN 27 Cb -0.03 -0.09 -0.01 0.00 0.27 0.00 0.00 38.32 38.45 2kjc h ASN 27 CO -0.07 0.29 -0.39 -0.09 -0.37 0.00 0.00 177.43 176.79 2kjc h ARG 28 N 0.49 0.00 0.00 6.67 2.43 -1.48 -2.75 114.38 119.74 2kjc h ARG 28 Ca 0.21 -0.00 -0.11 0.00 -0.81 0.00 0.00 59.98 59.27 2kjc h ARG 28 Cb 0.20 -0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.74 2kjc h ARG 28 CO -0.05 0.40 -0.52 0.82 -1.51 0.00 0.00 179.97 179.11 2kjc h ILE 29 N 0.00 1.07 -0.03 1.20 2.04 -1.08 -3.06 117.51 117.66 2kjc h ILE 29 Ca -0.00 -2.00 -0.11 0.00 1.00 0.00 0.00 64.86 63.75 2kjc h ILE 29 Cb 0.70 2.18 -0.01 0.00 -0.74 0.00 0.00 36.82 38.94 2kjc h ILE 29 CO 0.05 0.51 -0.50 0.03 0.00 0.00 0.00 178.15 178.24 2kjc h ARG 30 N 0.00 0.08 0.68 2.37 3.08 -1.24 -3.11 114.38 116.23 2kjc h ARG 30 Ca -0.01 -0.04 -0.03 0.00 0.07 0.00 0.00 59.98 59.97 2kjc h ARG 30 Cb 1.14 0.00 0.01 0.00 0.08 0.00 0.00 29.97 31.20 2kjc h ARG 30 CO 0.07 0.57 -0.32 0.82 -1.07 0.00 0.00 179.97 180.03 2kjc h ILE 31 N 0.06 0.24 -1.07 2.04 1.08 -1.51 -2.81 117.51 115.54 2kjc h ILE 31 Ca -0.00 -0.21 0.30 0.00 -0.39 0.00 0.00 64.86 64.56 2kjc h ILE 31 Cb 0.91 0.29 -0.11 0.00 -3.07 0.00 0.00 36.82 34.84 2kjc h ILE 31 CO 0.07 0.02 0.66 0.24 -0.69 0.00 0.00 178.15 178.45 2kjc h MET 32 N -1.07 0.37 -0.27 2.37 2.86 -1.59 1.27 114.93 118.87 2kjc h MET 32 Ca -0.09 -0.02 0.01 0.00 -2.06 0.00 0.00 59.70 57.54 2kjc h MET 32 Cb 0.73 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 32.29 2kjc h MET 32 CO 0.15 0.24 0.18 1.49 1.06 0.00 0.00 176.91 180.03 2kjc h GLU 33 N 0.38 0.31 0.05 1.72 4.57 -1.43 0.69 114.58 120.88 2kjc h GLU 33 Ca 0.66 -0.02 -0.00 0.00 -1.18 0.00 0.00 59.36 58.82 2kjc h GLU 33 Cb 1.63 -0.07 0.00 0.00 -0.16 0.00 0.00 28.75 30.15 2kjc h GLU 33 CO -0.40 0.21 -0.02 1.25 -1.18 0.00 0.00 179.01 178.86 2kjc h LEU 34 N 0.32 -0.06 -1.66 1.64 7.12 0.17 -3.07 115.31 119.79 2kjc h LEU 34 Ca 0.10 -0.60 0.00 0.00 0.13 0.00 0.00 57.88 57.51 2kjc h LEU 34 Cb 0.02 0.01 0.00 0.00 -0.53 0.00 0.00 40.66 40.17 2kjc h LEU 34 CO -0.02 0.66 0.03 -0.07 -0.13 0.00 0.00 178.44 178.91 2kjc h LEU 35 N -0.86 0.00 0.19 2.25 3.38 -0.97 -2.32 115.31 116.99 2kjc h LEU 35 Ca -0.01 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 2kjc h LEU 35 Cb 0.66 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.41 2kjc h LEU 35 CO 0.01 0.00 -0.09 -1.28 0.09 0.00 0.00 178.44 177.17 2kjc h SER 36 N 0.00 -0.22 -0.61 -0.43 0.87 -0.80 -3.31 113.55 109.05 2kjc h SER 36 Ca 0.00 -0.13 0.04 0.00 -1.23 0.00 0.00 61.79 60.47 2kjc h SER 36 Cb 0.06 0.06 -0.03 0.00 -0.44 0.00 0.00 62.40 62.04 2kjc h SER 36 CO 0.00 0.30 0.40 -0.37 -0.53 0.00 0.00 176.83 176.63 2kjc h VAL 37 N -1.03 1.05 0.00 2.23 -1.51 -1.36 -3.45 116.25 112.18 2kjc h VAL 37 Ca -0.03 -0.23 0.00 0.00 -1.23 0.00 0.00 66.70 65.22 2kjc h VAL 37 Cb 0.34 0.32 0.00 0.00 -2.13 0.00 0.00 31.29 29.82 2kjc h VAL 37 CO 0.04 0.12 0.00 -0.24 -1.23 0.00 0.00 177.57 176.26 2kjc n SER 38 N -4.47 0.00 -3.81 4.19 2.88 -0.91 -5.14 113.62 106.35 2kjc n SER 38 Ca 0.08 0.00 -0.23 0.00 -1.33 0.00 0.00 58.87 57.39 2kjc n SER 38 Cb 0.17 0.00 0.15 0.00 -0.75 0.00 0.00 64.21 63.78 2kjc n SER 38 CO 0.00 0.00 0.00 -1.84 -1.23 0.00 0.00 175.04 171.97 2kjc n GLU 39 N -0.05 -1.94 -3.63 -1.46 0.00 -1.26 -4.01 120.64 108.29 2kjc n GLU 39 Ca 0.00 -0.57 -0.15 0.00 0.00 0.00 0.00 57.16 56.44 2kjc n GLU 39 Cb 0.00 -1.50 -0.07 0.00 0.00 0.00 0.00 31.44 29.87 2kjc n GLU 39 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2kjc s ALA 40 N -2.11 -1.51 0.61 -1.84 0.00 -1.26 -4.88 121.76 110.76 2kjc s ALA 40 Ca 0.41 1.40 0.00 0.00 0.00 0.00 0.00 51.96 53.77 2kjc s ALA 40 Cb -0.06 -0.50 0.00 0.00 0.00 0.00 0.00 23.12 22.55 2kjc s ALA 40 CO 0.44 -0.31 0.00 0.43 0.00 0.00 0.00 175.76 176.32 2kjc n SER 41 N 1.89 0.00 -0.03 0.00 7.64 -1.26 -4.33 113.62 117.53 2kjc n SER 41 Ca -0.17 -0.79 -0.00 0.00 1.01 0.00 0.00 58.87 58.92 2kjc n SER 41 Cb 0.56 0.00 -0.00 0.00 -1.01 0.00 0.00 64.21 63.76 2kjc n SER 41 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 2kjc h VAL 42 N -0.48 0.00 0.00 0.44 2.07 -2.00 -3.20 116.25 113.08 2kjc h VAL 42 Ca 0.00 -0.64 -0.05 0.00 0.82 0.00 0.00 66.70 66.83 2kjc h VAL 42 Cb 0.00 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 29.76 2kjc h VAL 42 CO 0.00 0.00 -0.26 1.23 0.02 0.00 0.00 177.57 178.56 2kjc h GLY 43 N -0.64 0.00 1.26 2.17 0.00 -1.99 -3.11 103.07 100.75 2kjc h GLY 43 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 47.33 47.09 2kjc h GLY 43 CO 0.00 0.00 -0.90 0.84 0.00 0.00 0.00 176.54 176.48 2kjc h HIS 44 N 0.00 0.99 0.00 5.60 6.17 -1.98 -3.19 115.15 122.75 2kjc h HIS 44 Ca -0.00 -0.49 0.00 0.00 0.71 0.00 0.00 60.37 60.59 2kjc h HIS 44 Cb 0.51 -0.13 0.00 0.00 2.52 0.00 0.00 27.41 30.31 2kjc h HIS 44 CO 0.00 1.32 0.00 1.51 0.71 0.00 0.00 177.93 181.47 2kjc n ILE 45 N -3.88 0.62 0.24 6.26 3.06 -1.19 -3.44 119.36 121.03 2kjc n ILE 45 Ca -0.09 -0.05 -0.10 0.00 -2.50 0.00 0.00 62.75 60.01 2kjc n ILE 45 Cb 0.81 -0.78 -0.05 0.00 0.54 0.00 0.00 39.64 40.16 2kjc n ILE 45 CO 0.00 0.00 0.00 0.77 -2.50 0.00 0.00 176.55 174.82 2kjc h SER 46 N 0.00 -0.54 -0.13 9.51 4.64 -1.52 -2.85 113.55 122.66 2kjc h SER 46 Ca 0.00 0.02 0.04 0.00 -0.47 0.00 0.00 61.79 61.38 2kjc h SER 46 Cb 0.56 0.14 -0.01 0.00 -0.31 0.00 0.00 62.40 62.78 2kjc h SER 46 CO 0.00 -0.31 0.25 -0.74 -0.87 0.00 0.00 176.83 175.16 2kjc h HIS 47 N -0.77 0.00 0.00 4.77 -0.00 -1.68 1.09 115.15 118.56 2kjc h HIS 47 Ca -0.06 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.31 2kjc h HIS 47 Cb 0.49 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.90 2kjc h HIS 47 CO 0.07 0.00 0.00 0.37 -0.00 0.00 0.00 177.93 178.37 2kjc h GLN 48 N 0.00 0.00 0.00 5.26 5.75 -1.53 -3.33 115.11 121.26 2kjc h GLN 48 Ca 0.06 0.00 -0.15 0.00 -0.15 0.00 0.00 58.65 58.41 2kjc h GLN 48 Cb 0.57 0.00 -0.12 0.00 1.07 0.00 0.00 27.48 29.00 2kjc h GLN 48 CO -0.00 0.00 -0.10 -0.11 -2.65 0.00 0.00 178.83 175.97 2kjc n LEU 49 N -2.60 -1.51 0.00 -2.39 7.94 0.20 -5.10 117.00 113.54 2kjc n LEU 49 Ca 0.01 -2.65 0.00 0.00 -1.11 0.00 0.00 56.01 52.25 2kjc n LEU 49 Cb 0.21 0.42 0.00 0.00 0.53 0.00 0.00 43.42 44.57 2kjc n LEU 49 CO 0.21 1.53 0.00 -3.20 -1.11 0.00 0.00 177.39 174.82 2kjc n ASN 50 N -0.58 0.00 -0.91 1.96 2.85 0.32 -4.94 115.26 113.96 2kjc n ASN 50 Ca -0.14 0.00 0.12 0.00 -0.11 0.00 0.00 54.58 54.45 2kjc n ASN 50 Cb 0.75 0.00 -0.03 0.00 1.24 0.00 0.00 39.78 41.74 2kjc n ASN 50 CO 0.00 0.00 0.00 0.18 -2.11 0.00 0.00 177.26 175.33 2kjc n LEU 51 N 0.00 -0.45 -4.01 1.20 4.32 -1.26 -3.99 117.00 112.81 2kjc n LEU 51 Ca 0.00 0.99 -0.12 0.00 -0.02 0.00 0.00 56.01 56.86 2kjc n LEU 51 Cb 0.00 -2.95 -0.03 0.00 -1.62 0.00 0.00 43.42 38.82 2kjc n LEU 51 CO 0.00 -2.41 0.22 -0.94 -1.22 0.00 0.00 177.39 173.04 2kjc s SER 52 N -4.87 0.42 0.33 -1.43 1.04 -1.26 -4.68 113.70 103.25 2kjc s SER 52 Ca 0.00 -1.24 0.10 0.00 0.48 0.00 0.00 55.95 55.28 2kjc s SER 52 Cb 0.00 0.67 0.98 0.00 0.10 0.00 0.00 66.02 67.78 2kjc s SER 52 CO 0.00 -1.32 1.59 -0.61 0.98 0.00 0.00 173.24 173.89 2kjc h GLN 53 N 2.14 0.05 -0.07 4.02 4.15 -1.95 0.60 115.11 124.05 2kjc h GLN 53 Ca -0.28 -0.00 0.03 0.00 0.77 0.00 0.00 58.65 59.17 2kjc h GLN 53 Cb 1.25 -0.01 -0.04 0.00 0.21 0.00 0.00 27.48 28.88 2kjc h GLN 53 CO 0.38 0.03 -0.17 0.77 -1.93 0.00 0.00 178.83 177.92 2kjc h SER 54 N 0.05 -0.50 0.34 -0.69 0.02 -1.98 0.78 113.55 111.57 2kjc h SER 54 Ca 0.69 0.08 -0.30 0.00 -0.84 0.00 0.00 61.79 61.43 2kjc h SER 54 Cb 1.61 0.23 0.02 0.00 0.14 0.00 0.00 62.40 64.40 2kjc h SER 54 CO -0.81 -0.22 -1.30 -1.13 -1.14 0.00 0.00 176.83 172.23 2kjc h ASN 55 N -0.24 0.71 -0.30 3.07 -0.73 -1.14 -3.13 115.58 113.83 2kjc h ASN 55 Ca 0.08 -0.71 -0.08 0.00 1.87 0.00 0.00 56.30 57.45 2kjc h ASN 55 Cb 0.34 -0.23 -0.01 0.00 0.27 0.00 0.00 38.32 38.70 2kjc h ASN 55 CO -0.21 1.54 -0.13 0.58 -0.37 0.00 0.00 177.43 178.84 2kjc h VAL 56 N 0.17 1.29 -0.80 2.57 2.07 0.17 -2.00 116.25 119.72 2kjc h VAL 56 Ca -0.19 -1.22 0.02 0.00 0.82 0.00 0.00 66.70 66.13 2kjc h VAL 56 Cb 1.99 1.46 -0.04 0.00 -1.52 0.00 0.00 31.29 33.18 2kjc h VAL 56 CO 0.24 0.39 0.53 0.28 0.02 0.00 0.00 177.57 179.02 2kjc h SER 57 N 0.37 0.88 0.02 0.57 0.02 0.47 -1.95 113.55 113.93 2kjc h SER 57 Ca 0.07 -0.02 -0.00 0.00 -0.84 0.00 0.00 61.79 61.00 2kjc h SER 57 Cb 0.65 -0.21 0.00 0.00 0.14 0.00 0.00 62.40 62.98 2kjc h SER 57 CO 0.04 0.62 -0.01 -0.74 -1.14 0.00 0.00 176.83 175.61 2kjc h HIS 58 N 1.03 -0.02 -0.96 3.45 6.17 -1.46 -3.14 115.15 120.22 2kjc h HIS 58 Ca 0.30 -0.00 0.30 0.00 0.71 0.00 0.00 60.37 61.68 2kjc h HIS 58 Cb -0.05 0.01 -0.15 0.00 2.52 0.00 0.00 27.41 29.73 2kjc h HIS 58 CO -0.00 -0.02 0.39 -0.56 0.71 0.00 0.00 177.93 178.46 2kjc h GLN 59 N -0.05 0.21 -0.81 5.26 3.07 -1.42 1.53 115.11 122.91 2kjc h GLN 59 Ca -0.00 -0.01 0.16 0.00 0.09 0.00 0.00 58.65 58.89 2kjc h GLN 59 Cb 0.02 -0.05 -0.06 0.00 0.08 0.00 0.00 27.48 27.48 2kjc h GLN 59 CO 0.00 0.14 0.54 1.25 0.09 0.00 0.00 178.83 180.85 2kjc h LEU 60 N 0.21 0.43 -1.53 0.06 5.85 -1.44 0.77 115.31 119.68 2kjc h LEU 60 Ca 0.67 0.03 -0.00 0.00 0.84 0.00 0.00 57.88 59.41 2kjc h LEU 60 Cb 1.49 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 42.45 2kjc h LEU 60 CO -0.67 0.21 0.24 0.50 -0.34 0.00 0.00 178.44 178.38 2kjc h LYS 61 N 0.46 0.55 0.00 1.25 3.64 0.23 -1.04 116.57 121.65 2kjc h LYS 61 Ca 0.41 -0.05 -0.07 0.00 -1.27 0.00 0.00 60.65 59.67 2kjc h LYS 61 Cb 0.91 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.60 2kjc h LYS 61 CO -0.15 0.40 -0.33 -0.07 -2.27 0.00 0.00 179.45 177.04 2kjc h LEU 62 N 0.57 0.00 0.22 5.20 -0.00 -0.81 -2.87 115.31 117.62 2kjc h LEU 62 Ca 0.15 0.00 -0.33 0.00 -0.00 0.00 0.00 57.88 57.70 2kjc h LEU 62 Cb -0.00 0.00 0.03 0.00 -0.00 0.00 0.00 40.66 40.69 2kjc h LEU 62 CO -0.03 0.33 -1.43 -0.07 -0.00 0.00 0.00 178.44 177.25 2kjc h LEU 63 N 0.00 0.81 -2.29 1.67 3.38 -1.15 -3.21 115.31 114.52 2kjc h LEU 63 Ca -0.00 -0.85 -0.00 0.00 0.09 0.00 0.00 57.88 57.12 2kjc h LEU 63 Cb 0.71 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 41.19 2kjc h LEU 63 CO 0.04 1.66 -0.00 0.50 0.09 0.00 0.00 178.44 180.73 2kjc h LYS 64 N 0.16 0.00 0.23 1.13 3.64 -1.23 -2.70 116.57 117.79 2kjc h LYS 64 Ca -0.23 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.13 2kjc h LYS 64 Cb 2.12 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.94 2kjc h LYS 64 CO 0.26 0.00 -0.11 0.66 -2.27 0.00 0.00 179.45 178.00 2kjc h SER 65 N 0.00 -0.26 0.16 4.20 4.64 -1.51 -3.19 113.55 117.60 2kjc h SER 65 Ca -0.00 -0.17 0.00 0.00 -0.47 0.00 0.00 61.79 61.15 2kjc h SER 65 Cb 0.24 0.07 0.00 0.00 -0.31 0.00 0.00 62.40 62.39 2kjc h SER 65 CO 0.00 0.26 0.00 0.55 -0.87 0.00 0.00 176.83 176.77 2kjc n VAL 66 N -4.97 0.74 -1.02 0.95 3.14 -1.16 -4.81 118.33 111.20 2kjc n VAL 66 Ca -0.06 0.19 -0.01 0.00 -2.96 0.00 0.00 64.34 61.50 2kjc n VAL 66 Cb 0.21 -1.03 -0.00 0.00 -1.06 0.00 0.00 33.84 31.95 2kjc n VAL 66 CO 0.00 0.00 0.00 1.41 -6.46 0.00 0.00 176.83 171.78 2kjc n HIS 67 N -1.27 0.00 0.84 1.45 -0.00 -1.06 -4.89 115.22 110.29 2kjc n HIS 67 Ca 0.05 0.00 0.14 0.00 -0.00 0.00 0.00 57.72 57.90 2kjc n HIS 67 Cb 0.07 -0.45 0.52 0.00 -0.00 0.00 0.00 29.99 30.14 2kjc n HIS 67 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 2kjc n LEU 68 N -0.10 0.36 -4.09 2.41 4.77 -1.05 -4.82 117.00 114.49 2kjc n LEU 68 Ca -0.01 0.53 -0.07 0.00 -0.03 0.00 0.00 56.01 56.43 2kjc n LEU 68 Cb 0.05 -0.42 -0.10 0.00 -2.33 0.00 0.00 43.42 40.62 2kjc n LEU 68 CO 0.01 -0.08 -0.36 -0.69 -1.33 0.00 0.00 177.39 174.94 2kjc s VAL 69 N -3.04 0.23 -0.10 4.08 1.01 -1.16 -4.47 120.40 116.95 2kjc s VAL 69 Ca 0.13 -1.77 -0.07 0.00 0.00 0.00 0.00 61.98 60.26 2kjc s VAL 69 Cb 0.16 -1.46 0.03 0.00 0.00 0.00 0.00 36.38 35.11 2kjc s VAL 69 CO 0.56 -0.97 0.25 -0.75 0.00 0.00 0.00 175.10 174.19 2kjc s LYS 70 N -3.80 0.26 -0.06 2.72 2.20 -1.20 -4.26 119.74 115.60 2kjc s LYS 70 Ca 0.06 0.42 -0.03 0.00 -0.36 0.00 0.00 55.97 56.05 2kjc s LYS 70 Cb 0.07 0.04 -0.04 0.00 -1.51 0.00 0.00 37.83 36.40 2kjc s LYS 70 CO -0.09 -0.08 0.11 0.00 -0.36 0.00 0.00 175.35 174.92 2kjc s ALA 71 N 0.56 3.72 0.14 3.13 0.00 -1.26 -3.47 121.76 124.57 2kjc s ALA 71 Ca -0.04 -0.76 -0.11 0.00 0.00 0.00 0.00 51.96 51.06 2kjc s ALA 71 Cb -0.05 -1.76 0.00 0.00 0.00 0.00 0.00 23.12 21.31 2kjc s ALA 71 CO -0.03 0.66 0.29 -1.59 0.00 0.00 0.00 175.76 175.10 2kjc s LYS 72 N -1.40 1.08 -0.07 0.00 -2.85 -1.18 -5.06 119.74 110.27 2kjc s LYS 72 Ca 0.20 -1.03 -0.20 0.00 -1.00 0.00 0.00 55.97 53.93 2kjc s LYS 72 Cb -0.12 0.39 -0.04 0.00 -2.06 0.00 0.00 37.83 36.00 2kjc s LYS 72 CO 0.10 -0.39 0.58 1.03 0.10 0.00 0.00 175.35 176.76 2kjc s ARG 73 N -3.91 4.36 -0.41 1.78 0.52 -1.26 -3.55 118.95 116.47 2kjc s ARG 73 Ca 0.11 0.67 0.05 0.00 -0.52 0.00 0.00 55.73 56.04 2kjc s ARG 73 Cb 0.03 -3.41 0.18 0.00 0.52 0.00 0.00 34.95 32.27 2kjc s ARG 73 CO -0.05 0.20 0.38 1.04 0.02 0.00 0.00 175.30 176.89 2kjc n GLN 74 N 3.40 0.25 0.00 3.54 1.13 -1.15 -4.99 117.38 119.55 2kjc n GLN 74 Ca -0.05 -3.13 0.00 0.00 -1.94 0.00 0.00 57.00 51.88 2kjc n GLN 74 Cb 0.51 -1.61 0.00 0.00 0.11 0.00 0.00 30.24 29.25 2kjc n GLN 74 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2kjc n GLY 75 N 2.68 1.91 0.12 1.08 0.00 -1.26 -3.14 105.19 106.59 2kjc n GLY 75 Ca 0.29 -0.21 0.01 0.00 0.00 0.00 0.00 46.02 46.11 2kjc n GLY 75 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2kjc n GLN 76 N 0.00 0.83 -4.67 1.61 6.02 -1.26 -5.05 117.38 114.85 2kjc n GLN 76 Ca 0.00 -1.08 -0.24 0.00 -0.01 0.00 0.00 57.00 55.67 2kjc n GLN 76 Cb 0.00 -0.73 -0.16 0.00 1.02 0.00 0.00 30.24 30.37 2kjc n GLN 76 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 2kjc s SER 77 N -0.78 1.82 -1.03 1.08 1.04 -1.19 -5.08 113.70 109.56 2kjc s SER 77 Ca 0.04 -0.29 -0.19 0.00 0.48 0.00 0.00 55.95 55.98 2kjc s SER 77 Cb 0.03 -0.51 0.11 0.00 0.10 0.00 0.00 66.02 65.75 2kjc s SER 77 CO 0.00 0.12 1.32 -0.04 0.98 0.00 0.00 173.24 175.62 2kjc s MET 78 N 0.11 3.70 0.19 4.02 -1.94 -1.26 -2.95 119.30 121.18 2kjc s MET 78 Ca -0.04 -1.72 -0.10 0.00 -1.71 0.00 0.00 55.69 52.12 2kjc s MET 78 Cb -0.11 -5.12 -0.07 0.00 2.01 0.00 0.00 34.83 31.54 2kjc s MET 78 CO 0.02 -1.94 0.52 0.42 -0.01 0.00 0.00 175.02 174.03 2kjc s ILE 79 N 3.33 4.95 0.28 2.53 1.01 -1.23 -4.72 121.20 127.34 2kjc s ILE 79 Ca 0.40 0.52 0.03 0.00 0.00 0.00 0.00 60.65 61.60 2kjc s ILE 79 Cb -0.02 -3.65 -0.04 0.00 0.01 0.00 0.00 42.46 38.76 2kjc s ILE 79 CO -0.07 0.05 0.17 -0.72 0.00 0.00 0.00 174.94 174.37 2kjc s TYR 80 N -1.68 1.51 0.00 3.97 1.13 -1.26 -3.08 117.35 117.94 2kjc s TYR 80 Ca 0.43 -1.42 0.00 0.00 -1.41 0.00 0.00 57.07 54.67 2kjc s TYR 80 Cb -0.12 -0.76 0.00 0.00 -1.10 0.00 0.00 41.96 39.98 2kjc s TYR 80 CO 0.21 -0.61 0.00 0.45 -2.51 0.00 0.00 175.55 173.09 2kjc n SER 81 N -0.85 0.00 -3.48 -0.18 2.88 -1.23 -4.15 113.62 106.62 2kjc n SER 81 Ca 0.02 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.56 2kjc n SER 81 Cb 0.65 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.11 2kjc n SER 81 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 2kjc n LEU 82 N 0.00 0.00 0.00 2.46 4.77 -1.26 -3.28 117.00 119.69 2kjc n LEU 82 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 2kjc n LEU 82 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 2kjc n LEU 82 CO 0.00 -0.34 0.00 -0.67 -1.33 0.00 0.00 177.39 175.05 2kjc n ASP 83 N -0.23 0.00 -3.52 -1.43 2.03 -1.26 -4.34 116.55 107.80 2kjc n ASP 83 Ca 0.00 -0.24 -0.08 0.00 0.52 0.00 0.00 54.79 55.00 2kjc n ASP 83 Cb 0.00 0.00 -0.02 0.00 -0.72 0.00 0.00 41.12 40.38 2kjc n ASP 83 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 2kjc s ASP 84 N 0.00 -0.34 0.00 1.67 2.15 -1.26 -5.02 116.67 113.88 2kjc s ASP 84 Ca 0.00 -0.01 0.30 0.00 0.43 0.00 0.00 52.55 53.27 2kjc s ASP 84 Cb 0.00 0.36 1.47 0.00 -0.30 0.00 0.00 42.92 44.45 2kjc s ASP 84 CO 0.00 -0.59 2.01 2.30 -0.17 0.00 0.00 175.17 178.72 2kjc n ILE 85 N -0.24 0.00 0.16 4.11 -5.35 -1.26 -3.24 119.36 113.54 2kjc n ILE 85 Ca -0.08 -0.02 0.04 0.00 -0.27 0.00 0.00 62.75 62.42 2kjc n ILE 85 Cb 0.61 -0.35 0.10 0.00 -1.74 0.00 0.00 39.64 38.27 2kjc n ILE 85 CO 0.00 0.00 0.00 0.45 -1.76 0.00 0.00 176.55 175.24 2kjc h HIS 86 N 0.22 0.00 -0.25 4.28 3.86 -2.01 -3.28 115.15 117.97 2kjc h HIS 86 Ca 0.00 0.00 -0.04 0.00 -1.16 0.00 0.00 60.37 59.17 2kjc h HIS 86 Cb 0.28 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.74 2kjc h HIS 86 CO 0.00 0.44 0.02 0.28 0.86 0.00 0.00 177.93 179.53 2kjc h VAL 87 N 0.00 1.24 0.50 2.45 2.07 -1.98 -2.56 116.25 117.97 2kjc h VAL 87 Ca -0.00 -0.84 -0.02 0.00 0.82 0.00 0.00 66.70 66.65 2kjc h VAL 87 Cb 1.26 1.31 -0.00 0.00 -1.52 0.00 0.00 31.29 32.33 2kjc h VAL 87 CO 0.06 0.27 -0.29 0.00 0.02 0.00 0.00 177.57 177.62 2kjc h ALA 88 N 0.83 -1.14 -0.79 1.67 0.00 -1.76 -3.02 119.26 115.05 2kjc h ALA 88 Ca 0.07 -0.16 0.18 0.00 0.00 0.00 0.00 54.91 55.00 2kjc h ALA 88 Cb 0.37 0.39 -0.14 0.00 0.00 0.00 0.00 17.79 18.41 2kjc h ALA 88 CO 0.01 -1.11 -0.07 1.79 0.00 0.00 0.00 179.25 179.87 2kjc h THR 89 N -0.74 0.26 -0.90 0.00 1.35 -1.64 0.22 112.91 111.46 2kjc h THR 89 Ca -0.07 -0.02 0.20 0.00 -0.55 0.00 0.00 66.41 65.97 2kjc h THR 89 Cb 0.59 0.20 -0.17 0.00 -1.73 0.00 0.00 68.15 67.04 2kjc h THR 89 CO 0.08 0.01 -0.14 -0.03 -0.25 0.00 0.00 175.52 175.18 2kjc h MET 90 N 0.05 0.01 -0.51 4.72 4.05 -1.33 0.67 114.93 122.60 2kjc h MET 90 Ca 0.42 -0.00 -0.08 0.00 -0.28 0.00 0.00 59.70 59.75 2kjc h MET 90 Cb 0.72 -0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 31.49 2kjc h MET 90 CO -0.75 0.01 -0.02 -0.07 0.23 0.00 0.00 176.91 176.31 2kjc h LEU 91 N 0.01 0.84 -0.05 3.39 3.38 -0.91 -2.53 115.31 119.45 2kjc h LEU 91 Ca 0.47 -0.23 0.00 0.00 0.09 0.00 0.00 57.88 58.21 2kjc h LEU 91 Cb 0.79 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.31 2kjc h LEU 91 CO -0.90 0.92 0.00 0.29 0.09 0.00 0.00 178.44 178.84 2kjc n LYS 92 N -4.19 0.15 0.15 1.13 5.02 0.19 -2.93 118.16 117.67 2kjc n LYS 92 Ca 0.02 0.15 0.10 0.00 -2.02 0.00 0.00 58.31 56.57 2kjc n LYS 92 Cb 0.33 -1.68 0.06 0.00 -0.02 0.00 0.00 35.03 33.72 2kjc n LYS 92 CO 0.00 0.00 0.00 1.96 -0.52 0.00 0.00 177.40 178.84 2kjc h GLN 93 N 0.00 0.00 0.00 1.97 1.08 0.29 -3.19 115.11 115.26 2kjc h GLN 93 Ca 0.00 0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.20 2kjc h GLN 93 Cb 0.59 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.02 2kjc h GLN 93 CO 0.00 0.07 -0.04 0.00 -0.95 0.00 0.00 178.83 177.92 2kjc h ALA 94 N 1.90 0.00 -0.24 3.87 0.00 -1.40 -3.19 119.26 120.20 2kjc h ALA 94 Ca -0.01 -0.06 0.07 0.00 0.00 0.00 0.00 54.91 54.90 2kjc h ALA 94 Cb 1.09 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 2kjc h ALA 94 CO 0.01 0.03 0.28 0.82 0.00 0.00 0.00 179.25 180.39 2kjc h ILE 95 N -1.00 0.42 -0.09 0.00 2.04 -1.72 -0.88 117.51 116.28 2kjc h ILE 95 Ca -0.00 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.83 2kjc h ILE 95 Cb 0.09 0.78 -0.00 0.00 -0.74 0.00 0.00 36.82 36.95 2kjc h ILE 95 CO -0.00 0.00 -0.05 0.45 0.00 0.00 0.00 178.15 178.55 2kjc h HIS 96 N 0.00 0.23 0.00 1.37 3.86 -1.65 -2.71 115.15 116.25 2kjc h HIS 96 Ca 0.11 -0.06 0.00 0.00 -1.16 0.00 0.00 60.37 59.26 2kjc h HIS 96 Cb 0.67 -0.05 0.00 0.00 1.06 0.00 0.00 27.41 29.08 2kjc h HIS 96 CO 0.00 0.57 0.00 1.58 0.86 0.00 0.00 177.93 180.94 2kjc n HIS 97 N -4.72 0.65 0.06 2.45 -0.00 -0.36 -3.23 115.22 110.08 2kjc n HIS 97 Ca -0.07 0.31 -0.03 0.00 -0.00 0.00 0.00 57.72 57.93 2kjc n HIS 97 Cb 0.28 -0.99 -0.01 0.00 -0.00 0.00 0.00 29.99 29.26 2kjc n HIS 97 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2kjc h ALA 98 N 2.12 -0.50 0.00 1.57 0.00 -1.19 -3.32 119.26 117.93 2kjc h ALA 98 Ca 0.00 -0.04 -0.32 0.00 0.00 0.00 0.00 54.91 54.55 2kjc h ALA 98 Cb 0.14 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 2kjc h ALA 98 CO 0.00 -0.49 1.85 0.09 0.00 0.00 0.00 179.25 180.70 2kjc n ASN 99 N -2.94 4.82 0.13 0.00 5.03 -1.20 -4.39 115.26 116.71 2kjc n ASN 99 Ca -0.02 -2.28 -0.21 0.00 0.87 0.00 0.00 54.58 52.93 2kjc n ASN 99 Cb 0.07 -1.08 -0.15 0.00 -1.02 0.00 0.00 39.78 37.60 2kjc n ASN 99 CO 0.00 0.00 0.00 -0.74 -1.83 0.00 0.00 177.26 174.69 2kjc h HIS 100 N 5.42 0.82 -0.19 3.10 2.76 -1.73 -3.47 115.15 121.86 2kjc h HIS 100 Ca 0.41 -0.59 0.00 0.00 -2.20 0.00 0.00 60.37 57.99 2kjc h HIS 100 Cb 0.44 -0.04 0.00 0.00 1.55 0.00 0.00 27.41 29.37 2kjc h HIS 100 CO 1.80 1.46 0.00 -2.30 -1.30 0.00 0.00 177.93 177.58 2kjc n PRO 101 N -3.66 1.01 -3.68 5.26 -0.02 -1.26 -5.07 135.00 127.58 2kjc n PRO 101 Ca -0.14 0.00 -0.10 0.00 -2.02 0.00 0.00 63.50 61.24 2kjc n PRO 101 Cb 1.07 0.00 -0.04 0.00 -0.02 0.00 0.00 33.50 34.51 2kjc n PRO 101 CO 0.00 0.00 0.00 -1.59 1.98 0.00 0.00 175.50 175.89 2kjc s LYS 102 N -0.56 1.29 0.00 -0.52 0.00 -1.26 -5.21 119.74 113.48 2kjc s LYS 102 Ca 0.00 -0.78 0.00 0.00 0.00 0.00 0.00 55.97 55.19 2kjc s LYS 102 Cb 0.00 0.52 0.00 0.00 0.00 0.00 0.00 37.83 38.35 2kjc s LYS 102 CO 0.00 -0.54 0.00 0.39 0.00 0.00 0.00 175.35 175.20