#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 0.14 -0.64 5.53 2.02 -2.07 1.00 112.91 118.89 2kjc h THR 10 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 2kjc h THR 10 Cb 0.00 0.27 -0.03 0.00 -1.74 0.00 0.00 68.15 66.65 2kjc h THR 10 CO 0.00 0.00 0.41 0.44 0.37 0.00 0.00 175.52 176.74 2kjc h ASP 11 N 0.00 0.74 0.17 4.18 3.32 -2.06 -2.97 116.42 119.80 2kjc h ASP 11 Ca 0.35 -0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.36 2kjc h ASP 11 Cb 2.12 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 41.48 2kjc h ASP 11 CO -0.00 0.54 -0.08 0.71 -1.72 0.00 0.00 179.24 178.69 2kjc h THR 12 N 0.87 0.81 -1.34 0.35 1.35 0.62 -3.15 112.91 112.42 2kjc h THR 12 Ca 0.23 -1.09 0.39 0.00 -0.55 0.00 0.00 66.41 65.40 2kjc h THR 12 Cb -0.08 1.35 -0.05 0.00 -1.73 0.00 0.00 68.15 67.64 2kjc h THR 12 CO -0.05 0.21 1.29 -0.11 -0.25 0.00 0.00 175.52 176.61 2kjc n LEU 13 N -4.94 0.00 -0.01 3.87 7.94 -1.13 0.17 117.00 122.90 2kjc n LEU 13 Ca -0.08 0.84 -0.17 0.00 -1.11 0.00 0.00 56.01 55.49 2kjc n LEU 13 Cb 0.26 -0.34 -0.14 0.00 0.53 0.00 0.00 43.42 43.74 2kjc n LEU 13 CO 0.25 -0.84 0.18 -0.33 -1.11 0.00 0.00 177.39 175.55 2kjc h GLU 14 N 0.00 0.15 0.00 1.96 5.08 -1.52 -3.28 114.58 116.97 2kjc h GLU 14 Ca 0.64 -0.26 -0.02 0.00 -1.00 0.00 0.00 59.36 58.72 2kjc h GLU 14 Cb 3.22 0.10 -0.00 0.00 0.50 0.00 0.00 28.75 32.57 2kjc h GLU 14 CO -0.01 1.13 -0.09 0.00 -1.00 0.00 0.00 179.01 179.03 2kjc h ARG 15 N -0.67 0.00 0.00 2.33 3.08 0.17 -2.66 114.38 116.63 2kjc h ARG 15 Ca -0.09 0.00 -0.11 0.00 0.07 0.00 0.00 59.98 59.86 2kjc h ARG 15 Cb 1.34 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.38 2kjc h ARG 15 CO 0.07 0.09 -0.51 0.28 -1.07 0.00 0.00 179.97 178.84 2kjc h VAL 16 N 0.00 1.23 0.01 2.04 2.07 -0.20 -2.93 116.25 118.47 2kjc h VAL 16 Ca -0.00 -1.83 -0.31 0.00 0.82 0.00 0.00 66.70 65.38 2kjc h VAL 16 Cb 0.77 2.03 -0.05 0.00 -1.52 0.00 0.00 31.29 32.51 2kjc h VAL 16 CO 0.01 0.50 -1.83 1.07 0.02 0.00 0.00 177.57 177.34 2kjc n THR 17 N -3.73 1.60 0.41 2.57 5.66 -1.16 -4.01 114.28 115.63 2kjc n THR 17 Ca -0.01 -0.78 0.13 0.00 -3.05 0.00 0.00 64.05 60.33 2kjc n THR 17 Cb 0.56 -1.06 0.50 0.00 -1.55 0.00 0.00 70.33 68.78 2kjc n THR 17 CO 0.00 0.00 0.00 -0.33 -3.05 0.00 0.00 175.07 171.69 2kjc h GLU 18 N 0.01 0.00 -0.38 1.09 5.08 -1.47 -3.04 114.58 115.87 2kjc h GLU 18 Ca -0.34 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 57.91 2kjc h GLU 18 Cb 2.04 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 31.28 2kjc h GLU 18 CO 0.07 0.00 -0.19 0.97 -1.00 0.00 0.00 179.01 178.86 2kjc h ILE 19 N 0.00 1.28 0.15 3.13 2.10 -1.65 -2.88 117.51 119.65 2kjc h ILE 19 Ca 0.00 -1.33 -0.01 0.00 1.08 0.00 0.00 64.86 64.61 2kjc h ILE 19 Cb 0.45 1.32 0.00 0.00 -1.09 0.00 0.00 36.82 37.50 2kjc h ILE 19 CO 0.00 0.44 -0.07 -0.26 -1.08 0.00 0.00 178.15 177.18 2kjc h PHE 20 N 0.60 -0.19 -0.98 2.19 0.04 -1.75 -3.31 116.94 113.54 2kjc h PHE 20 Ca 0.08 -0.00 0.29 0.00 2.80 0.00 0.00 57.97 61.13 2kjc h PHE 20 Cb 0.74 0.06 -0.14 0.00 2.20 0.00 0.00 35.95 38.82 2kjc h PHE 20 CO 0.06 0.20 0.53 0.87 -0.60 0.00 0.00 178.31 179.37 2kjc h LYS 21 N -0.94 0.38 -0.11 1.51 1.57 -1.65 0.79 116.57 118.13 2kjc h LYS 21 Ca -0.02 -0.02 0.03 0.00 -1.87 0.00 0.00 60.65 58.77 2kjc h LYS 21 Cb 0.48 -0.09 -0.00 0.00 0.08 0.00 0.00 32.23 32.70 2kjc h LYS 21 CO 0.03 0.25 0.38 0.00 -0.57 0.00 0.00 179.45 179.55 2kjc h ALA 22 N 1.80 1.55 -0.55 3.86 0.00 -1.59 0.84 119.26 125.19 2kjc h ALA 22 Ca 0.68 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.59 2kjc h ALA 22 Cb 1.45 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.25 2kjc h ALA 22 CO -0.57 -0.44 0.00 1.28 0.00 0.00 0.00 179.25 179.52 2kjc n LEU 23 N -3.09 3.74 -3.76 0.00 4.77 0.27 -4.76 117.00 114.17 2kjc n LEU 23 Ca 0.00 -1.88 -0.42 0.00 -0.03 0.00 0.00 56.01 53.68 2kjc n LEU 23 Cb 0.46 -0.49 -0.03 0.00 -2.33 0.00 0.00 43.42 41.04 2kjc n LEU 23 CO 0.17 0.71 2.34 0.61 -1.33 0.00 0.00 177.39 179.88 2kjc n GLY 24 N 1.11 3.34 3.15 -0.72 0.00 0.29 -4.69 105.19 107.68 2kjc n GLY 24 Ca 0.21 -1.40 0.05 0.00 0.00 0.00 0.00 46.02 44.87 2kjc n GLY 24 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2kjc s ASP 25 N 4.21 -1.03 0.30 1.61 -1.08 -1.26 -5.03 116.67 114.38 2kjc s ASP 25 Ca 0.53 0.51 0.03 0.00 -0.52 0.00 0.00 52.55 53.10 2kjc s ASP 25 Cb 0.13 1.81 0.76 0.00 -1.46 0.00 0.00 42.92 44.16 2kjc s ASP 25 CO 0.02 -0.19 1.62 0.10 0.52 0.00 0.00 175.17 177.24 2kjc h TYR 26 N 7.93 0.25 -0.84 -5.34 -0.00 -2.01 1.02 116.97 117.98 2kjc h TYR 26 Ca -0.15 0.06 0.21 0.00 -0.00 0.00 0.00 58.73 58.84 2kjc h TYR 26 Cb 1.17 0.04 -0.05 0.00 -0.00 0.00 0.00 36.73 37.89 2kjc h TYR 26 CO 0.09 -0.30 0.57 -0.97 -0.00 0.00 0.00 178.16 177.56 2kjc h ASN 27 N 0.13 0.22 0.04 0.10 -0.00 -1.96 -2.35 115.58 111.76 2kjc h ASN 27 Ca 0.58 0.02 -0.00 0.00 -0.00 0.00 0.00 56.30 56.90 2kjc h ASN 27 Cb 1.21 -0.02 0.00 0.00 -0.00 0.00 0.00 38.32 39.52 2kjc h ASN 27 CO -0.74 0.09 -0.02 -0.09 -0.00 0.00 0.00 177.43 176.66 2kjc h ARG 28 N 0.22 -0.06 -0.99 6.67 9.65 0.75 -3.16 114.38 127.46 2kjc h ARG 28 Ca 0.42 0.00 0.29 0.00 -1.10 0.00 0.00 59.98 59.59 2kjc h ARG 28 Cb 1.30 0.01 -0.14 0.00 -1.39 0.00 0.00 29.97 29.75 2kjc h ARG 28 CO -0.09 0.59 0.55 0.82 2.80 0.00 0.00 179.97 184.64 2kjc h ILE 29 N -0.85 0.39 -0.07 1.20 5.03 -1.18 0.49 117.51 122.51 2kjc h ILE 29 Ca -0.01 -0.14 -0.15 0.00 -0.12 0.00 0.00 64.86 64.44 2kjc h ILE 29 Cb 0.67 -0.06 -0.01 0.00 -3.03 0.00 0.00 36.82 34.39 2kjc h ILE 29 CO 0.01 0.07 -0.63 -0.09 -0.68 0.00 0.00 178.15 176.83 2kjc h ARG 30 N 0.41 0.26 -0.19 2.37 2.43 -1.62 -2.34 114.38 115.71 2kjc h ARG 30 Ca 0.69 -0.19 -0.20 0.00 -0.81 0.00 0.00 59.98 59.46 2kjc h ARG 30 Cb 1.47 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 31.05 2kjc h ARG 30 CO -0.56 0.81 -0.69 0.82 -1.51 0.00 0.00 179.97 178.84 2kjc h ILE 31 N 0.19 1.29 -0.67 1.20 2.04 -0.16 -3.15 117.51 118.26 2kjc h ILE 31 Ca -0.01 -1.91 -0.06 0.00 1.00 0.00 0.00 64.86 63.88 2kjc h ILE 31 Cb 1.15 1.87 -0.03 0.00 -0.74 0.00 0.00 36.82 39.07 2kjc h ILE 31 CO 0.10 0.61 0.16 -0.03 0.00 0.00 0.00 178.15 178.99 2kjc h MET 32 N 0.55 1.05 -0.54 2.37 4.05 -0.58 -2.21 114.93 119.61 2kjc h MET 32 Ca -0.03 -0.24 0.06 0.00 -0.28 0.00 0.00 59.70 59.21 2kjc h MET 32 Cb 1.30 -0.14 -0.03 0.00 -0.80 0.00 0.00 31.60 31.93 2kjc h MET 32 CO 0.14 0.93 0.36 1.49 0.23 0.00 0.00 176.91 180.06 2kjc h GLU 33 N 1.00 0.47 0.28 0.39 4.81 -1.39 -2.43 114.58 117.71 2kjc h GLU 33 Ca 0.21 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.40 2kjc h GLU 33 Cb 0.35 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.63 2kjc h GLU 33 CO 0.00 0.31 -0.13 1.25 -0.73 0.00 0.00 179.01 179.71 2kjc h LEU 34 N 0.48 -0.32 -0.73 1.64 6.46 -1.37 -2.97 115.31 118.51 2kjc h LEU 34 Ca 0.23 0.01 0.00 0.00 -0.12 0.00 0.00 57.88 58.01 2kjc h LEU 34 Cb 0.31 0.08 0.00 0.00 -0.73 0.00 0.00 40.66 40.32 2kjc h LEU 34 CO -0.06 -0.14 0.52 -0.07 -0.62 0.00 0.00 178.44 178.07 2kjc h LEU 35 N -0.55 0.00 0.03 2.25 3.38 -1.36 0.39 115.31 119.46 2kjc h LEU 35 Ca -0.04 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.93 2kjc h LEU 35 Cb 0.29 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.04 2kjc h LEU 35 CO 0.06 0.00 -0.02 0.77 0.09 0.00 0.00 178.44 179.35 2kjc h SER 36 N 0.00 -0.04 0.59 -0.43 4.64 -1.27 -3.35 113.55 113.69 2kjc h SER 36 Ca 0.00 -0.46 -0.03 0.00 -0.47 0.00 0.00 61.79 60.83 2kjc h SER 36 Cb 1.05 0.01 0.01 0.00 -0.31 0.00 0.00 62.40 63.15 2kjc h SER 36 CO 0.00 0.45 -0.28 0.58 -0.87 0.00 0.00 176.83 176.71 2kjc h VAL 37 N -0.54 0.00 -3.50 0.95 2.07 -0.24 -3.47 116.25 111.51 2kjc h VAL 37 Ca -0.00 -0.27 -0.11 0.00 0.82 0.00 0.00 66.70 67.14 2kjc h VAL 37 Cb 0.50 0.00 -0.18 0.00 -1.52 0.00 0.00 31.29 30.09 2kjc h VAL 37 CO 0.01 0.00 -0.38 -0.44 0.02 0.00 0.00 177.57 176.78 2kjc s SER 38 N -4.14 0.01 1.11 0.57 0.01 -1.01 -5.15 113.70 105.09 2kjc s SER 38 Ca -0.12 -0.31 -0.12 0.00 1.31 0.00 0.00 55.95 56.71 2kjc s SER 38 Cb 0.01 0.29 0.25 0.00 0.21 0.00 0.00 66.02 66.79 2kjc s SER 38 CO 0.35 -0.54 1.05 -1.61 0.41 0.00 0.00 173.24 172.89 2kjc s GLU 39 N -2.40 -0.51 -0.14 12.44 8.01 -1.26 -3.84 118.70 131.00 2kjc s GLU 39 Ca -0.06 0.87 -0.24 0.00 0.01 0.00 0.00 54.97 55.55 2kjc s GLU 39 Cb -0.02 -1.60 0.06 0.00 -4.31 0.00 0.00 34.13 28.26 2kjc s GLU 39 CO -0.03 -3.46 0.60 0.00 0.01 0.00 0.00 175.26 172.38 2kjc s ALA 40 N -2.56 -1.51 0.76 5.21 0.00 -1.26 -4.95 121.76 117.45 2kjc s ALA 40 Ca 0.68 1.42 -0.11 0.00 0.00 0.00 0.00 51.96 53.95 2kjc s ALA 40 Cb -0.24 -0.54 0.06 0.00 0.00 0.00 0.00 23.12 22.41 2kjc s ALA 40 CO 0.63 -0.31 1.12 -1.12 0.00 0.00 0.00 175.76 176.07 2kjc s SER 41 N -0.39 4.80 0.10 0.00 0.01 -1.26 -3.97 113.70 112.99 2kjc s SER 41 Ca -0.05 0.78 -0.31 0.00 1.31 0.00 0.00 55.95 57.68 2kjc s SER 41 Cb -0.03 -1.38 -0.11 0.00 0.21 0.00 0.00 66.02 64.70 2kjc s SER 41 CO 0.04 -1.70 1.60 0.58 0.41 0.00 0.00 173.24 174.18 2kjc h VAL 42 N -0.85 0.24 -0.27 3.43 2.07 -1.97 -2.59 116.25 116.31 2kjc h VAL 42 Ca -0.45 0.00 -0.08 0.00 0.82 0.00 0.00 66.70 66.98 2kjc h VAL 42 Cb 1.31 0.24 -0.01 0.00 -1.52 0.00 0.00 31.29 31.30 2kjc h VAL 42 CO 0.64 0.00 -0.18 1.23 0.02 0.00 0.00 177.57 179.28 2kjc h GLY 43 N -0.69 0.52 1.91 2.17 0.00 -1.94 -2.71 103.07 102.33 2kjc h GLY 43 Ca -0.00 -0.38 0.01 0.00 0.00 0.00 0.00 47.33 46.96 2kjc h GLY 43 CO -0.14 0.35 0.04 0.84 0.00 0.00 0.00 176.54 177.63 2kjc h HIS 44 N 0.44 0.00 0.00 5.60 6.17 -1.85 -0.12 115.15 125.39 2kjc h HIS 44 Ca 0.07 0.00 -0.05 0.00 0.71 0.00 0.00 60.37 61.11 2kjc h HIS 44 Cb 0.57 0.00 -0.01 0.00 2.52 0.00 0.00 27.41 30.49 2kjc h HIS 44 CO 0.02 0.00 -0.22 0.82 0.71 0.00 0.00 177.93 179.26 2kjc h ILE 45 N 0.00 0.47 0.00 6.26 2.04 -1.13 -3.14 117.51 122.01 2kjc h ILE 45 Ca 0.02 -1.26 0.00 0.00 1.00 0.00 0.00 64.86 64.62 2kjc h ILE 45 Cb 0.09 1.91 0.00 0.00 -0.74 0.00 0.00 36.82 38.08 2kjc h ILE 45 CO -0.00 0.22 0.10 -1.20 0.00 0.00 0.00 178.15 177.27 2kjc n SER 46 N -3.28 0.18 0.05 1.72 7.64 -0.06 0.15 113.62 120.03 2kjc n SER 46 Ca 0.01 0.52 0.11 0.00 1.01 0.00 0.00 58.87 60.52 2kjc n SER 46 Cb 0.49 -0.52 0.01 0.00 -1.01 0.00 0.00 64.21 63.18 2kjc n SER 46 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2kjc n HIS 47 N -1.70 0.52 0.09 1.43 1.44 -1.19 -4.27 115.22 111.53 2kjc n HIS 47 Ca -0.00 0.15 -0.10 0.00 -2.01 0.00 0.00 57.72 55.76 2kjc n HIS 47 Cb 0.11 -0.66 -0.07 0.00 0.12 0.00 0.00 29.99 29.50 2kjc n HIS 47 CO 0.00 0.00 0.00 0.37 -2.81 0.00 0.00 176.34 173.90 2kjc h GLN 48 N 0.00 -0.29 0.00 -1.40 4.15 -0.50 -3.47 115.11 113.61 2kjc h GLN 48 Ca 0.00 0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.44 2kjc h GLN 48 Cb 0.86 0.07 0.00 0.00 0.21 0.00 0.00 27.48 28.62 2kjc h GLN 48 CO 0.00 0.06 0.00 -0.11 -1.93 0.00 0.00 178.83 176.85 2kjc n LEU 49 N -4.98 0.00 -4.91 -2.39 7.94 -1.24 -5.13 117.00 106.29 2kjc n LEU 49 Ca -0.07 0.00 -0.28 0.00 -1.11 0.00 0.00 56.01 54.55 2kjc n LEU 49 Cb 0.24 0.00 0.06 0.00 0.53 0.00 0.00 43.42 44.26 2kjc n LEU 49 CO 0.22 0.00 0.67 0.20 -1.11 0.00 0.00 177.39 177.38 2kjc s ASN 50 N -0.96 4.98 -0.06 1.96 -0.87 -1.26 -5.03 114.94 113.70 2kjc s ASN 50 Ca 0.00 0.71 0.13 0.00 -1.57 0.00 0.00 52.86 52.13 2kjc s ASN 50 Cb 0.00 -1.40 0.25 0.00 -0.02 0.00 0.00 41.25 40.08 2kjc s ASN 50 CO 0.00 -1.54 1.13 0.00 -2.57 0.00 0.00 177.10 174.13 2kjc n LEU 51 N -2.98 -0.06 -3.36 0.60 -0.00 -1.26 -4.06 117.00 105.88 2kjc n LEU 51 Ca 0.07 -2.23 -0.14 0.00 -0.00 0.00 0.00 56.01 53.71 2kjc n LEU 51 Cb 0.59 0.06 -0.08 0.00 -0.00 0.00 0.00 43.42 43.99 2kjc n LEU 51 CO 0.54 1.11 -0.13 -0.55 -0.00 0.00 0.00 177.39 178.36 2kjc s SER 52 N -1.66 1.09 0.64 1.45 0.15 -1.26 -4.99 113.70 109.12 2kjc s SER 52 Ca 0.16 -0.83 0.25 0.00 0.70 0.00 0.00 55.95 56.23 2kjc s SER 52 Cb 0.23 0.74 1.32 0.00 -1.71 0.00 0.00 66.02 66.59 2kjc s SER 52 CO -0.08 -0.34 1.75 0.06 1.20 0.00 0.00 173.24 175.82 2kjc h GLN 53 N 7.93 0.00 0.20 5.44 3.07 -1.95 0.24 115.11 130.04 2kjc h GLN 53 Ca -0.07 0.00 -0.31 0.00 0.09 0.00 0.00 58.65 58.36 2kjc h GLN 53 Cb 1.09 0.00 0.02 0.00 0.08 0.00 0.00 27.48 28.67 2kjc h GLN 53 CO 0.28 0.00 -1.39 0.77 0.09 0.00 0.00 178.83 178.58 2kjc h SER 54 N 0.00 0.65 -0.37 0.06 0.02 -1.97 -2.95 113.55 109.00 2kjc h SER 54 Ca 0.09 -0.70 -0.12 0.00 -0.84 0.00 0.00 61.79 60.22 2kjc h SER 54 Cb 1.14 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 63.46 2kjc h SER 54 CO -0.00 1.55 -0.24 0.78 -1.14 0.00 0.00 176.83 177.78 2kjc h ASN 55 N 0.11 0.85 0.54 3.07 -0.26 -0.94 -3.02 115.58 115.93 2kjc h ASN 55 Ca -0.21 -0.43 -0.14 0.00 -0.56 0.00 0.00 56.30 54.96 2kjc h ASN 55 Cb 2.08 -0.24 -0.02 0.00 -1.06 0.00 0.00 38.32 39.09 2kjc h ASN 55 CO 0.24 1.10 -0.65 -0.37 -1.06 0.00 0.00 177.43 176.69 2kjc h VAL 56 N 0.61 1.44 0.33 2.81 -1.51 -1.61 -3.14 116.25 115.18 2kjc h VAL 56 Ca 0.07 -2.16 -0.02 0.00 -1.23 0.00 0.00 66.70 63.37 2kjc h VAL 56 Cb 0.81 2.15 0.00 0.00 -2.13 0.00 0.00 31.29 32.11 2kjc h VAL 56 CO 0.07 0.62 -0.19 0.28 -1.23 0.00 0.00 177.57 177.12 2kjc h SER 57 N 0.07 -0.47 -1.21 4.19 0.02 -1.45 -0.87 113.55 113.82 2kjc h SER 57 Ca -0.01 0.02 0.36 0.00 -0.84 0.00 0.00 61.79 61.32 2kjc h SER 57 Cb 1.15 0.13 -0.10 0.00 0.14 0.00 0.00 62.40 63.72 2kjc h SER 57 CO 0.09 -0.30 0.80 0.45 -1.14 0.00 0.00 176.83 176.73 2kjc h HIS 58 N -0.48 0.49 0.47 3.45 3.86 -1.62 -1.31 115.15 120.01 2kjc h HIS 58 Ca -0.04 0.02 -0.02 0.00 -1.16 0.00 0.00 60.37 59.16 2kjc h HIS 58 Cb 0.38 -0.13 0.00 0.00 1.06 0.00 0.00 27.41 28.72 2kjc h HIS 58 CO 0.06 -0.06 -0.23 0.37 0.86 0.00 0.00 177.93 178.93 2kjc h GLN 59 N 0.20 -0.61 -0.56 2.45 4.15 -1.41 -2.89 115.11 116.44 2kjc h GLN 59 Ca 0.70 0.04 0.16 0.00 0.77 0.00 0.00 58.65 60.32 2kjc h GLN 59 Cb 2.14 0.14 -0.02 0.00 0.21 0.00 0.00 27.48 29.95 2kjc h GLN 59 CO -0.30 -0.41 0.69 -0.07 -1.93 0.00 0.00 178.83 176.81 2kjc h LEU 60 N -0.84 0.00 -0.48 -2.39 3.38 -0.09 0.69 115.31 115.57 2kjc h LEU 60 Ca -0.07 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.75 2kjc h LEU 60 Cb 0.49 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.23 2kjc h LEU 60 CO 0.11 0.00 -0.45 0.50 0.09 0.00 0.00 178.44 178.69 2kjc h LYS 61 N 0.00 0.75 -0.27 1.13 3.64 -1.13 -2.88 116.57 117.81 2kjc h LYS 61 Ca 0.27 -0.42 -0.02 0.00 -1.27 0.00 0.00 60.65 59.21 2kjc h LYS 61 Cb 1.64 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 33.47 2kjc h LYS 61 CO -0.00 1.04 0.09 1.25 -2.27 0.00 0.00 179.45 179.56 2kjc h LEU 62 N 0.60 0.33 -0.83 5.20 5.85 0.59 -0.69 115.31 126.37 2kjc h LEU 62 Ca 0.04 -0.03 -0.07 0.00 0.84 0.00 0.00 57.88 58.66 2kjc h LEU 62 Cb 1.01 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.95 2kjc h LEU 62 CO 0.10 0.33 -0.33 -0.07 -0.34 0.00 0.00 178.44 178.12 2kjc h LEU 63 N 0.37 0.00 -1.39 2.25 4.07 -1.41 -3.03 115.31 116.17 2kjc h LEU 63 Ca 0.09 0.00 -0.02 0.00 0.08 0.00 0.00 57.88 58.03 2kjc h LEU 63 Cb 0.11 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 41.83 2kjc h LEU 63 CO -0.01 0.33 0.14 0.50 -1.08 0.00 0.00 178.44 178.32 2kjc h LYS 64 N 0.00 0.55 -0.05 1.13 3.64 -0.91 -1.52 116.57 119.40 2kjc h LYS 64 Ca -0.00 -0.07 -0.10 0.00 -1.27 0.00 0.00 60.65 59.20 2kjc h LYS 64 Cb 0.92 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.63 2kjc h LYS 64 CO 0.04 0.47 -0.44 1.03 -2.27 0.00 0.00 179.45 178.28 2kjc h SER 65 N 0.55 0.12 0.00 4.20 0.87 -1.52 -2.00 113.55 115.76 2kjc h SER 65 Ca 0.13 -0.05 0.00 0.00 -1.23 0.00 0.00 61.79 60.64 2kjc h SER 65 Cb 0.14 -0.03 0.00 0.00 -0.44 0.00 0.00 62.40 62.07 2kjc h SER 65 CO -0.01 0.55 0.00 0.52 -0.53 0.00 0.00 176.83 177.35 2kjc n VAL 66 N -4.01 0.00 -1.02 2.23 0.31 -0.59 -4.85 118.33 110.40 2kjc n VAL 66 Ca -0.02 0.00 -0.01 0.00 -0.01 0.00 0.00 64.34 64.31 2kjc n VAL 66 Cb 0.48 -0.36 -0.00 0.00 -0.91 0.00 0.00 33.84 33.05 2kjc n VAL 66 CO 0.00 0.00 0.00 1.41 -1.32 0.00 0.00 176.83 176.92 2kjc n HIS 67 N -0.83 0.00 0.00 3.52 -0.00 -0.75 -4.95 115.22 112.21 2kjc n HIS 67 Ca 0.15 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.87 2kjc n HIS 67 Cb 0.07 -1.30 0.00 0.00 -0.00 0.00 0.00 29.99 28.76 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 -0.07 0.00 -4.19 2.41 4.77 -1.08 -4.94 117.00 113.91 2kjc n LEU 68 Ca -0.01 0.00 -0.35 0.00 -0.03 0.00 0.00 56.01 55.63 2kjc n LEU 68 Cb 0.32 0.00 0.09 0.00 -2.33 0.00 0.00 43.42 41.50 2kjc n LEU 68 CO 0.01 0.00 -0.97 1.33 -1.33 0.00 0.00 177.39 176.43 2kjc n VAL 69 N 0.00 0.00 -3.72 4.08 0.24 -1.26 -4.83 118.33 112.84 2kjc n VAL 69 Ca 0.00 -0.25 -0.13 0.00 -2.04 0.00 0.00 64.34 61.91 2kjc n VAL 69 Cb 0.00 -0.33 -0.10 0.00 -1.47 0.00 0.00 33.84 31.95 2kjc n VAL 69 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 2kjc s LYS 70 N -2.83 0.55 -0.09 7.34 2.47 -1.26 -4.57 119.74 121.35 2kjc s LYS 70 Ca 0.48 0.45 -0.04 0.00 -1.56 0.00 0.00 55.97 55.29 2kjc s LYS 70 Cb -0.11 0.26 -0.04 0.00 -1.46 0.00 0.00 37.83 36.49 2kjc s LYS 70 CO 0.71 -0.09 0.09 0.00 0.16 0.00 0.00 175.35 176.21 2kjc s ALA 71 N -0.09 3.65 -0.19 3.13 0.00 -1.26 -3.69 121.76 123.31 2kjc s ALA 71 Ca -0.03 -0.73 -0.08 0.00 0.00 0.00 0.00 51.96 51.12 2kjc s ALA 71 Cb -0.03 -1.75 -0.04 0.00 0.00 0.00 0.00 23.12 21.29 2kjc s ALA 71 CO 0.02 0.63 0.09 0.15 0.00 0.00 0.00 175.76 176.64 2kjc s LYS 72 N -1.13 4.05 -0.37 0.00 1.02 -1.00 -5.00 119.74 117.32 2kjc s LYS 72 Ca 0.16 -0.30 -0.27 0.00 0.02 0.00 0.00 55.97 55.58 2kjc s LYS 72 Cb -0.12 -3.31 0.02 0.00 -0.52 0.00 0.00 37.83 33.90 2kjc s LYS 72 CO 0.06 0.26 1.00 1.03 -0.92 0.00 0.00 175.35 176.78 2kjc s ARG 73 N 0.44 3.90 -0.05 1.68 0.52 -1.26 -3.82 118.95 120.34 2kjc s ARG 73 Ca 0.05 0.73 0.05 0.00 -0.52 0.00 0.00 55.73 56.04 2kjc s ARG 73 Cb -0.12 -3.80 -0.01 0.00 0.52 0.00 0.00 34.95 31.55 2kjc s ARG 73 CO -0.00 -0.99 -0.21 -0.65 0.02 0.00 0.00 175.30 173.46 2kjc s GLN 74 N 3.67 2.23 -0.25 3.54 -0.21 -1.19 -5.03 119.66 122.42 2kjc s GLN 74 Ca 0.42 -0.77 -0.29 0.00 0.02 0.00 0.00 55.36 54.75 2kjc s GLN 74 Cb -0.11 -1.89 -0.32 0.00 1.00 0.00 0.00 33.01 31.69 2kjc s GLN 74 CO 0.19 0.30 1.70 0.41 -2.12 0.00 0.00 175.29 175.78 2kjc n GLY 75 N 3.09 0.98 0.00 3.09 0.00 -1.26 -2.32 105.19 108.76 2kjc n GLY 75 Ca -0.18 -0.96 0.00 0.00 0.00 0.00 0.00 46.02 44.88 2kjc n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2kjc n GLN 76 N 7.77 0.00 -3.94 1.61 10.64 -1.26 -5.16 117.38 127.04 2kjc n GLN 76 Ca 0.47 0.00 -0.12 0.00 -1.83 0.00 0.00 57.00 55.52 2kjc n GLN 76 Cb 0.42 0.00 -0.00 0.00 -0.86 0.00 0.00 30.24 29.80 2kjc n GLN 76 CO 0.00 0.00 0.00 0.45 -1.83 0.00 0.00 177.06 175.68 2kjc s SER 77 N 0.00 0.51 0.02 2.61 0.15 -0.98 -5.17 113.70 110.84 2kjc s SER 77 Ca 0.00 -1.35 0.06 0.00 0.70 0.00 0.00 55.95 55.35 2kjc s SER 77 Cb 0.00 0.78 -0.03 0.00 -1.71 0.00 0.00 66.02 65.05 2kjc s SER 77 CO 0.00 -1.53 -0.14 0.00 1.20 0.00 0.00 173.24 172.77 2kjc s MET 78 N -2.55 2.26 0.09 5.44 0.23 -1.26 -3.17 119.30 120.34 2kjc s MET 78 Ca 0.23 -0.88 -0.00 0.00 -1.03 0.00 0.00 55.69 54.01 2kjc s MET 78 Cb -0.03 -2.31 -0.04 0.00 -1.53 0.00 0.00 34.83 30.92 2kjc s MET 78 CO 0.16 0.56 -0.01 0.96 -2.03 0.00 0.00 175.02 174.67 2kjc s ILE 79 N -0.94 0.30 0.20 3.16 -4.36 -1.25 -4.47 121.20 113.83 2kjc s ILE 79 Ca 0.15 -1.87 0.10 0.00 -0.26 0.00 0.00 60.65 58.77 2kjc s ILE 79 Cb -0.11 -1.74 -0.04 0.00 1.25 0.00 0.00 42.46 41.82 2kjc s ILE 79 CO 0.06 -0.79 -0.20 -0.31 0.24 0.00 0.00 174.94 173.94 2kjc s TYR 80 N -3.89 2.03 0.00 1.37 1.51 -1.25 -2.37 117.35 114.75 2kjc s TYR 80 Ca 0.14 -0.42 0.00 0.00 -1.01 0.00 0.00 57.07 55.78 2kjc s TYR 80 Cb 0.07 -0.97 0.00 0.00 -0.11 0.00 0.00 41.96 40.95 2kjc s TYR 80 CO -0.05 0.46 0.00 0.45 -1.11 0.00 0.00 175.55 175.30 2kjc n SER 81 N 0.02 0.00 -4.86 2.29 2.88 -1.24 -4.01 113.62 108.69 2kjc n SER 81 Ca -0.11 -0.70 -0.31 0.00 -1.33 0.00 0.00 58.87 56.43 2kjc n SER 81 Cb 0.58 0.00 0.04 0.00 -0.75 0.00 0.00 64.21 64.07 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 3.04 -0.07 2.46 1.43 -1.26 -4.32 118.68 119.96 2kjc s LEU 82 Ca 0.00 1.32 -0.00 0.00 -1.03 0.00 0.00 54.13 54.42 2kjc s LEU 82 Cb 0.00 -4.22 -0.00 0.00 0.03 0.00 0.00 46.19 42.00 2kjc s LEU 82 CO 0.00 -1.21 0.02 0.44 0.23 0.00 0.00 176.35 175.83 2kjc h ASP 83 N -0.56 -0.01 -0.42 2.29 5.19 -1.96 -3.46 116.42 117.49 2kjc h ASP 83 Ca -0.45 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.96 2kjc h ASP 83 Cb 1.22 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.74 2kjc h ASP 83 CO 0.62 0.32 0.00 -0.67 -3.12 0.00 0.00 179.24 176.39 2kjc n ASP 84 N -3.89 0.00 -0.83 6.45 2.03 -1.26 -4.99 116.55 114.06 2kjc n ASP 84 Ca -0.00 -0.57 0.00 0.00 0.52 0.00 0.00 54.79 54.74 2kjc n ASP 84 Cb 0.01 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.41 2kjc n ASP 84 CO 0.00 0.00 0.00 2.30 -1.92 0.00 0.00 177.20 177.58 2kjc n ILE 85 N 0.00 0.55 -0.05 5.18 -5.35 -1.26 -2.99 119.36 115.44 2kjc n ILE 85 Ca 0.00 0.00 -0.06 0.00 -0.27 0.00 0.00 62.75 62.42 2kjc n ILE 85 Cb 0.00 -0.75 -0.05 0.00 -1.74 0.00 0.00 39.64 37.10 2kjc n ILE 85 CO 0.00 0.00 0.00 1.41 -1.76 0.00 0.00 176.55 176.20 2kjc n HIS 86 N 0.40 0.00 0.04 4.28 8.25 -1.26 -4.45 115.22 122.49 2kjc n HIS 86 Ca 0.00 0.00 -0.17 0.00 -0.26 0.00 0.00 57.72 57.29 2kjc n HIS 86 Cb 0.35 -0.41 -0.14 0.00 1.12 0.00 0.00 29.99 30.91 2kjc n HIS 86 CO 0.00 0.00 0.00 -0.24 0.64 0.00 0.00 176.34 176.74 2kjc h VAL 87 N 0.00 0.98 -0.70 1.59 3.04 -1.94 -3.10 116.25 116.11 2kjc h VAL 87 Ca -0.23 -2.66 -0.04 0.00 -1.01 0.00 0.00 66.70 62.75 2kjc h VAL 87 Cb 1.41 2.65 -0.03 0.00 -2.01 0.00 0.00 31.29 33.32 2kjc h VAL 87 CO -0.02 0.79 0.26 0.00 -1.01 0.00 0.00 177.57 177.59 2kjc h ALA 88 N 0.45 1.15 0.01 3.17 0.00 -1.83 -1.10 119.26 121.12 2kjc h ALA 88 Ca -0.30 -0.19 -0.21 0.00 0.00 0.00 0.00 54.91 54.22 2kjc h ALA 88 Cb 2.03 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 19.53 2kjc h ALA 88 CO 0.13 0.60 -0.93 1.79 0.00 0.00 0.00 179.25 180.85 2kjc h THR 89 N 1.01 1.48 -0.24 0.00 1.35 -1.78 -3.13 112.91 111.60 2kjc h THR 89 Ca 0.23 -2.65 -0.13 0.00 -0.55 0.00 0.00 66.41 63.31 2kjc h THR 89 Cb 0.21 2.51 -0.01 0.00 -1.73 0.00 0.00 68.15 69.14 2kjc h THR 89 CO -0.02 0.78 -0.38 -0.03 -0.25 0.00 0.00 175.52 175.62 2kjc h MET 90 N 0.13 0.55 0.19 4.72 4.05 -1.40 -0.15 114.93 123.01 2kjc h MET 90 Ca -0.06 -0.27 -0.01 0.00 -0.28 0.00 0.00 59.70 59.09 2kjc h MET 90 Cb 1.57 -0.00 0.00 0.00 -0.80 0.00 0.00 31.60 32.37 2kjc h MET 90 CO 0.15 0.84 -0.09 1.25 0.23 0.00 0.00 176.91 179.29 2kjc h LEU 91 N 0.46 -0.22 0.47 3.39 5.85 -1.24 -2.83 115.31 121.19 2kjc h LEU 91 Ca 0.04 -0.17 -0.02 0.00 0.84 0.00 0.00 57.88 58.57 2kjc h LEU 91 Cb 0.87 0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.96 2kjc h LEU 91 CO 0.07 0.05 -0.22 0.11 -0.34 0.00 0.00 178.44 178.11 2kjc h LYS 92 N -0.49 -0.60 -1.20 1.25 1.57 -1.55 -2.96 116.57 112.58 2kjc h LYS 92 Ca -0.03 0.04 0.35 0.00 -1.87 0.00 0.00 60.65 59.14 2kjc h LYS 92 Cb 0.37 0.14 -0.05 0.00 0.08 0.00 0.00 32.23 32.77 2kjc h LYS 92 CO 0.04 -0.30 1.09 0.37 -0.57 0.00 0.00 179.45 180.09 2kjc h GLN 93 N -0.97 0.00 0.12 3.15 -0.00 -1.11 0.33 115.11 116.62 2kjc h GLN 93 Ca -0.06 0.00 -0.01 0.00 -0.00 0.00 0.00 58.65 58.58 2kjc h GLN 93 Cb 0.58 0.00 0.00 0.00 0.00 0.00 0.00 27.48 28.06 2kjc h GLN 93 CO 0.11 0.00 -0.06 0.00 0.00 0.00 0.00 178.83 178.88 2kjc h ALA 94 N 0.94 -0.37 -0.21 3.38 0.00 -1.33 -3.17 119.26 118.50 2kjc h ALA 94 Ca 0.57 -0.04 0.06 0.00 0.00 0.00 0.00 54.91 55.51 2kjc h ALA 94 Cb 2.75 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 20.59 2kjc h ALA 94 CO -0.01 -0.36 0.19 0.82 0.00 0.00 0.00 179.25 179.89 2kjc h ILE 95 N -0.40 0.67 -0.11 0.00 2.04 -1.14 -1.92 117.51 116.65 2kjc h ILE 95 Ca -0.02 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.88 2kjc h ILE 95 Cb 0.12 0.86 -0.04 0.00 -0.74 0.00 0.00 36.82 37.03 2kjc h ILE 95 CO 0.03 0.00 -0.11 -0.74 0.00 0.00 0.00 178.15 177.33 2kjc h HIS 96 N 0.00 -0.26 0.18 1.37 2.76 -0.48 -1.68 115.15 117.04 2kjc h HIS 96 Ca 0.10 0.02 0.01 0.00 -2.20 0.00 0.00 60.37 58.30 2kjc h HIS 96 Cb 0.47 0.13 -0.04 0.00 1.55 0.00 0.00 27.41 29.52 2kjc h HIS 96 CO 0.00 -0.16 -0.52 1.25 -1.30 0.00 0.00 177.93 177.20 2kjc h HIS 97 N -0.13 -1.51 -0.52 5.26 -0.00 -1.31 -2.68 115.15 114.27 2kjc h HIS 97 Ca 0.08 0.04 0.08 0.00 -0.00 0.00 0.00 60.37 60.56 2kjc h HIS 97 Cb 0.24 0.63 -0.10 0.00 -0.00 0.00 0.00 27.41 28.18 2kjc h HIS 97 CO -0.22 -0.61 -0.44 0.00 -0.00 0.00 0.00 177.93 176.66 2kjc h ALA 98 N -0.56 -0.38 -2.34 5.26 0.00 -1.53 -3.41 119.26 116.30 2kjc h ALA 98 Ca -0.01 0.09 -0.51 0.00 0.00 0.00 0.00 54.91 54.48 2kjc h ALA 98 Cb 0.78 0.94 0.11 0.00 0.00 0.00 0.00 17.79 19.62 2kjc h ALA 98 CO -0.26 -0.85 0.34 1.21 0.00 0.00 0.00 179.25 179.70 2kjc s ASN 99 N -5.12 4.86 -0.47 0.00 3.04 -0.65 -5.04 114.94 111.56 2kjc s ASN 99 Ca -0.14 1.62 0.06 0.00 0.04 0.00 0.00 52.86 54.45 2kjc s ASN 99 Cb 0.13 -2.42 0.23 0.00 -1.54 0.00 0.00 41.25 37.65 2kjc s ASN 99 CO 0.66 -1.78 0.76 1.41 -3.04 0.00 0.00 177.10 175.11 2kjc n HIS 100 N -3.34 -2.74 -2.97 0.43 8.25 -1.26 -4.84 115.22 108.75 2kjc n HIS 100 Ca 0.08 -2.11 -0.40 0.00 -0.26 0.00 0.00 57.72 55.03 2kjc n HIS 100 Cb 0.54 1.12 -0.06 0.00 1.12 0.00 0.00 29.99 32.71 2kjc n HIS 100 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 2kjc s PRO 101 N 0.33 4.54 -0.15 -0.41 0.04 -1.26 -5.07 135.00 133.03 2kjc s PRO 101 Ca 0.32 1.13 -0.13 0.00 0.04 0.00 0.00 61.00 62.37 2kjc s PRO 101 Cb 0.17 -3.31 0.04 0.00 0.04 0.00 0.00 34.50 31.44 2kjc s PRO 101 CO -0.19 0.43 0.39 0.15 0.04 0.00 0.00 177.00 177.83 2kjc s LYS 102 N -0.63 0.45 0.00 4.56 1.02 -1.26 -5.28 119.74 118.59 2kjc s LYS 102 Ca 0.37 0.58 0.00 0.00 0.02 0.00 0.00 55.97 56.94 2kjc s LYS 102 Cb -0.22 0.19 0.00 0.00 -0.52 0.00 0.00 37.83 37.28 2kjc s LYS 102 CO 0.25 -0.07 0.00 -1.91 -0.92 0.00 0.00 175.35 172.70