#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 0.00 0.43 3.41 1.03 -2.06 0.29 112.91 116.00 2kjc h THR 10 Ca 0.00 0.00 -0.02 0.00 -0.01 0.00 0.00 66.41 66.38 2kjc h THR 10 Cb 0.00 0.18 0.00 0.00 -1.07 0.00 0.00 68.15 67.26 2kjc h THR 10 CO 0.00 0.00 -0.21 0.44 -0.01 0.00 0.00 175.52 175.74 2kjc h ASP 11 N 0.00 -0.49 0.12 0.00 3.32 -2.06 -3.16 116.42 114.16 2kjc h ASP 11 Ca 0.00 -0.04 -0.02 0.00 0.02 0.00 0.00 57.03 56.99 2kjc h ASP 11 Cb 1.03 0.13 -0.00 0.00 0.22 0.00 0.00 39.33 40.71 2kjc h ASP 11 CO 0.00 -0.05 -0.09 0.74 -1.72 0.00 0.00 179.24 178.11 2kjc h THR 12 N -1.11 0.91 0.09 0.35 2.02 -1.39 -2.75 112.91 111.04 2kjc h THR 12 Ca -0.06 -0.33 -0.00 0.00 0.77 0.00 0.00 66.41 66.79 2kjc h THR 12 Cb 0.49 1.19 -0.01 0.00 -1.74 0.00 0.00 68.15 68.08 2kjc h THR 12 CO 0.10 0.09 -0.15 0.25 0.37 0.00 0.00 175.52 176.18 2kjc h LEU 13 N 0.00 -0.43 -2.30 2.58 7.12 -1.46 -2.22 115.31 118.60 2kjc h LEU 13 Ca -0.00 0.04 0.00 0.00 0.13 0.00 0.00 57.88 58.05 2kjc h LEU 13 Cb 0.18 0.15 0.00 0.00 -0.53 0.00 0.00 40.66 40.46 2kjc h LEU 13 CO 0.01 -0.18 0.00 -0.33 -0.13 0.00 0.00 178.44 177.82 2kjc h GLU 14 N -0.25 0.00 -0.43 1.25 5.08 -1.51 -2.42 114.58 116.30 2kjc h GLU 14 Ca -0.01 0.00 0.05 0.00 -1.00 0.00 0.00 59.36 58.40 2kjc h GLU 14 Cb 0.23 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.46 2kjc h GLU 14 CO -0.05 0.00 0.29 -0.09 -1.00 0.00 0.00 179.01 178.16 2kjc h ARG 15 N 0.00 0.37 -0.81 2.33 2.43 -1.09 -0.93 114.38 116.69 2kjc h ARG 15 Ca 0.00 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.13 2kjc h ARG 15 Cb 0.22 -0.08 -0.04 0.00 -0.42 0.00 0.00 29.97 29.64 2kjc h ARG 15 CO 0.00 0.25 0.45 0.28 -1.51 0.00 0.00 179.97 179.43 2kjc h VAL 16 N 0.39 1.24 -0.39 0.20 2.07 -1.34 -2.44 116.25 115.97 2kjc h VAL 16 Ca 0.18 -0.58 -0.14 0.00 0.82 0.00 0.00 66.70 66.98 2kjc h VAL 16 Cb 0.24 0.14 -0.01 0.00 -1.52 0.00 0.00 31.29 30.14 2kjc h VAL 16 CO -0.04 0.26 -0.31 0.71 0.02 0.00 0.00 177.57 178.21 2kjc h THR 17 N 1.13 1.27 -0.13 2.57 1.35 -1.35 -2.67 112.91 115.09 2kjc h THR 17 Ca 0.29 -1.47 0.04 0.00 -0.55 0.00 0.00 66.41 64.72 2kjc h THR 17 Cb 0.02 1.29 -0.01 0.00 -1.73 0.00 0.00 68.15 67.73 2kjc h THR 17 CO -0.05 0.49 0.20 -0.33 -0.25 0.00 0.00 175.52 175.59 2kjc h GLU 18 N 0.73 0.00 -0.24 4.72 5.08 -1.02 -0.60 114.58 123.26 2kjc h GLU 18 Ca 0.08 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 58.30 2kjc h GLU 18 Cb 0.87 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.12 2kjc h GLU 18 CO 0.08 0.00 -0.39 0.82 -1.00 0.00 0.00 179.01 178.51 2kjc h ILE 19 N 0.00 1.31 0.37 3.13 2.04 -1.35 -2.60 117.51 120.41 2kjc h ILE 19 Ca 0.06 -1.60 -0.02 0.00 1.00 0.00 0.00 64.86 64.31 2kjc h ILE 19 Cb 0.47 1.75 0.00 0.00 -0.74 0.00 0.00 36.82 38.30 2kjc h ILE 19 CO -0.00 0.50 -0.18 -0.26 0.00 0.00 0.00 178.15 178.22 2kjc h PHE 20 N 0.40 -0.46 -0.94 1.37 0.04 -1.20 -3.26 116.94 112.89 2kjc h PHE 20 Ca 0.02 -0.01 0.21 0.00 2.80 0.00 0.00 57.97 60.99 2kjc h PHE 20 Cb 0.99 0.15 -0.12 0.00 2.20 0.00 0.00 35.95 39.17 2kjc h PHE 20 CO 0.08 -0.17 0.49 0.87 -0.60 0.00 0.00 178.31 178.99 2kjc h LYS 21 N -1.03 0.53 -0.79 1.51 1.57 -1.54 0.45 116.57 117.27 2kjc h LYS 21 Ca -0.05 -0.03 0.23 0.00 -1.87 0.00 0.00 60.65 58.93 2kjc h LYS 21 Cb 0.50 -0.12 -0.03 0.00 0.08 0.00 0.00 32.23 32.66 2kjc h LYS 21 CO 0.08 0.35 0.71 0.00 -0.57 0.00 0.00 179.45 180.03 2kjc h ALA 22 N 1.68 2.63 -2.06 3.86 0.00 -1.50 -2.77 119.26 121.10 2kjc h ALA 22 Ca 0.57 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.45 2kjc h ALA 22 Cb 1.02 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.87 2kjc h ALA 22 CO -0.46 -1.12 0.00 1.28 0.00 0.00 0.00 179.25 178.95 2kjc n LEU 23 N -3.82 1.19 -1.34 0.00 4.77 0.16 -5.00 117.00 112.95 2kjc n LEU 23 Ca 0.16 0.37 0.11 0.00 -0.03 0.00 0.00 56.01 56.62 2kjc n LEU 23 Cb 0.99 -0.16 -0.06 0.00 -2.33 0.00 0.00 43.42 41.86 2kjc n LEU 23 CO 0.32 -0.16 -0.50 0.61 -1.33 0.00 0.00 177.39 176.33 2kjc n GLY 24 N 1.08 -2.89 1.95 -0.72 0.00 -1.05 -4.88 105.19 98.68 2kjc n GLY 24 Ca 0.00 -0.79 0.00 0.00 0.00 0.00 0.00 46.02 45.23 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 -3.74 -9.33 0.10 1.61 8.00 -1.26 -4.51 116.55 107.43 2kjc n ASP 25 Ca -0.06 1.40 -0.04 0.00 0.71 0.00 0.00 54.79 56.80 2kjc n ASP 25 Cb 0.53 -5.16 0.04 0.00 -0.02 0.00 0.00 41.12 36.51 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 3.29 0.00 -0.73 1.24 -0.00 -2.00 -3.16 116.97 115.61 2kjc h TYR 26 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 58.73 58.68 2kjc h TYR 26 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 36.73 36.70 2kjc h TYR 26 CO 0.00 0.78 0.26 -0.97 -0.00 0.00 0.00 178.16 178.24 2kjc h ASN 27 N 0.00 1.02 -0.48 0.10 -1.24 -2.00 -2.69 115.58 110.30 2kjc h ASN 27 Ca -0.01 -0.19 -0.05 0.00 0.71 0.00 0.00 56.30 56.76 2kjc h ASN 27 Cb 1.40 -0.27 -0.02 0.00 0.73 0.00 0.00 38.32 40.16 2kjc h ASN 27 CO 0.10 0.94 0.09 -0.09 -1.29 0.00 0.00 177.43 177.18 2kjc h ARG 28 N 1.05 0.78 0.00 6.67 2.43 -1.79 -2.32 114.38 121.21 2kjc h ARG 28 Ca 0.24 -0.20 -0.00 0.00 -0.81 0.00 0.00 59.98 59.20 2kjc h ARG 28 Cb 0.25 -0.09 -0.00 0.00 -0.42 0.00 0.00 29.97 29.71 2kjc h ARG 28 CO -0.01 0.78 -0.00 0.82 -1.51 0.00 0.00 179.97 180.05 2kjc h ILE 29 N 0.66 0.01 -0.02 1.20 2.04 -1.48 -1.11 117.51 118.80 2kjc h ILE 29 Ca 0.15 -0.16 -0.16 0.00 1.00 0.00 0.00 64.86 65.69 2kjc h ILE 29 Cb 0.37 1.16 -0.02 0.00 -0.74 0.00 0.00 36.82 37.59 2kjc h ILE 29 CO 0.01 0.00 -0.70 -0.09 0.00 0.00 0.00 178.15 177.37 2kjc h ARG 30 N 0.00 0.12 -0.53 2.37 2.43 -1.09 -3.05 114.38 114.63 2kjc h ARG 30 Ca -0.00 -0.10 -0.09 0.00 -0.81 0.00 0.00 59.98 58.98 2kjc h ARG 30 Cb 0.16 0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.71 2kjc h ARG 30 CO 0.00 0.76 -0.05 0.82 -1.51 0.00 0.00 179.97 180.00 2kjc h ILE 31 N 0.08 1.26 -0.14 1.20 2.04 -1.18 -2.31 117.51 118.46 2kjc h ILE 31 Ca -0.01 -1.15 -0.02 0.00 1.00 0.00 0.00 64.86 64.68 2kjc h ILE 31 Cb 1.24 0.90 -0.01 0.00 -0.74 0.00 0.00 36.82 38.21 2kjc h ILE 31 CO 0.10 0.41 -0.00 -0.03 0.00 0.00 0.00 178.15 178.62 2kjc h MET 32 N 0.85 0.20 -0.56 2.37 4.05 -1.50 -2.29 114.93 118.04 2kjc h MET 32 Ca 0.15 -0.02 0.00 0.00 -0.28 0.00 0.00 59.70 59.55 2kjc h MET 32 Cb 0.56 -0.04 -0.03 0.00 -0.80 0.00 0.00 31.60 31.30 2kjc h MET 32 CO 0.03 0.22 0.37 1.49 0.23 0.00 0.00 176.91 179.25 2kjc h GLU 33 N 0.20 0.75 0.07 0.39 4.81 -1.33 -2.88 114.58 116.57 2kjc h GLU 33 Ca 0.05 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2kjc h GLU 33 Cb 0.14 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.35 2kjc h GLU 33 CO 0.00 0.50 -0.06 1.25 -0.73 0.00 0.00 179.01 179.97 2kjc h LEU 34 N 0.76 -0.16 -1.27 1.64 5.85 -1.38 -2.22 115.31 118.53 2kjc h LEU 34 Ca 0.21 0.02 0.32 0.00 0.84 0.00 0.00 57.88 59.26 2kjc h LEU 34 Cb -0.08 0.06 -0.12 0.00 0.37 0.00 0.00 40.66 40.89 2kjc h LEU 34 CO -0.04 -0.10 0.69 -0.07 -0.34 0.00 0.00 178.44 178.58 2kjc h LEU 35 N -0.14 0.43 0.72 2.25 3.38 -1.41 -1.32 115.31 119.22 2kjc h LEU 35 Ca 0.00 0.12 -0.04 0.00 0.09 0.00 0.00 57.88 58.06 2kjc h LEU 35 Cb 0.13 0.07 0.01 0.00 0.09 0.00 0.00 40.66 40.96 2kjc h LEU 35 CO -0.02 -0.03 -0.35 -1.28 0.09 0.00 0.00 178.44 176.86 2kjc h SER 36 N 0.31 -0.82 -0.57 -0.43 0.87 -1.27 -3.17 113.55 108.48 2kjc h SER 36 Ca 0.69 0.03 0.12 0.00 -1.23 0.00 0.00 61.79 61.39 2kjc h SER 36 Cb 1.80 0.21 -0.10 0.00 -0.44 0.00 0.00 62.40 63.87 2kjc h SER 36 CO -0.40 -0.57 -0.05 0.58 -0.53 0.00 0.00 176.83 175.86 2kjc h VAL 37 N -1.01 0.50 -1.83 2.23 2.07 -1.21 -3.44 116.25 113.56 2kjc h VAL 37 Ca -0.10 -0.02 0.06 0.00 0.82 0.00 0.00 66.70 67.45 2kjc h VAL 37 Cb 0.74 0.42 -0.20 0.00 -1.52 0.00 0.00 31.29 30.73 2kjc h VAL 37 CO 0.16 0.01 0.46 -0.55 0.02 0.00 0.00 177.57 177.67 2kjc s SER 38 N -5.23 -0.43 1.11 0.57 0.15 -0.65 -5.15 113.70 104.08 2kjc s SER 38 Ca -0.14 0.38 -0.17 0.00 0.70 0.00 0.00 55.95 56.72 2kjc s SER 38 Cb 0.18 0.37 0.14 0.00 -1.71 0.00 0.00 66.02 65.00 2kjc s SER 38 CO 0.73 -0.47 0.27 -0.62 1.20 0.00 0.00 173.24 174.36 2kjc n GLU 39 N 0.54 -1.64 -3.66 5.44 4.71 -1.25 -3.89 120.64 120.89 2kjc n GLU 39 Ca -0.12 -0.45 -0.09 0.00 -0.01 0.00 0.00 57.16 56.48 2kjc n GLU 39 Cb 0.59 -1.82 -0.08 0.00 -1.01 0.00 0.00 31.44 29.11 2kjc n GLU 39 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2kjc s ALA 40 N -2.29 -1.60 0.91 0.62 0.00 -1.26 -4.91 121.76 113.23 2kjc s ALA 40 Ca 0.59 2.06 -0.13 0.00 0.00 0.00 0.00 51.96 54.48 2kjc s ALA 40 Cb -0.16 -1.22 0.14 0.00 0.00 0.00 0.00 23.12 21.89 2kjc s ALA 40 CO 0.66 -0.33 1.17 0.45 0.00 0.00 0.00 175.76 177.70 2kjc s SER 41 N 1.29 3.54 0.08 0.00 0.15 -1.26 -4.46 113.70 113.05 2kjc s SER 41 Ca -0.08 0.83 -0.32 0.00 0.70 0.00 0.00 55.95 57.08 2kjc s SER 41 Cb -0.06 -1.31 -0.16 0.00 -1.71 0.00 0.00 66.02 62.78 2kjc s SER 41 CO -0.14 -2.52 1.62 1.62 1.20 0.00 0.00 173.24 175.03 2kjc h VAL 42 N -1.48 0.31 -0.50 4.45 3.04 -2.00 -2.86 116.25 117.20 2kjc h VAL 42 Ca -0.48 0.00 -0.08 0.00 -1.01 0.00 0.00 66.70 65.12 2kjc h VAL 42 Cb 1.32 0.31 -0.02 0.00 -2.01 0.00 0.00 31.29 30.89 2kjc h VAL 42 CO 0.59 0.00 -0.01 1.23 -1.01 0.00 0.00 177.57 178.37 2kjc h GLY 43 N -0.83 0.97 -0.35 3.17 0.00 -1.95 -2.74 103.07 101.35 2kjc h GLY 43 Ca -0.06 -0.72 0.32 0.00 0.00 0.00 0.00 47.33 46.88 2kjc h GLY 43 CO 0.05 0.66 0.86 0.84 0.00 0.00 0.00 176.54 178.95 2kjc h HIS 44 N 0.76 0.00 -0.02 5.60 6.17 -1.91 0.77 115.15 126.53 2kjc h HIS 44 Ca 0.14 0.00 -0.20 0.00 0.71 0.00 0.00 60.37 61.03 2kjc h HIS 44 Cb 0.53 0.00 -0.01 0.00 2.52 0.00 0.00 27.41 30.45 2kjc h HIS 44 CO 0.04 0.00 -0.83 0.82 0.71 0.00 0.00 177.93 178.67 2kjc h ILE 45 N 0.00 1.44 -0.69 6.26 2.04 -1.26 -3.28 117.51 122.02 2kjc h ILE 45 Ca 0.53 -2.41 0.11 0.00 1.00 0.00 0.00 64.86 64.09 2kjc h ILE 45 Cb 2.24 2.33 -0.12 0.00 -0.74 0.00 0.00 36.82 40.54 2kjc h ILE 45 CO -0.01 0.71 -0.38 -1.28 0.00 0.00 0.00 178.15 177.19 2kjc h SER 46 N 0.18 -1.35 0.67 1.72 0.87 0.52 0.65 113.55 116.81 2kjc h SER 46 Ca -0.05 0.25 -0.02 0.00 -1.23 0.00 0.00 61.79 60.75 2kjc h SER 46 Cb 1.44 0.66 -0.00 0.00 -0.44 0.00 0.00 62.40 64.05 2kjc h SER 46 CO 0.13 -0.31 -0.11 0.45 -0.53 0.00 0.00 176.83 176.47 2kjc h HIS 47 N -0.14 0.00 0.00 2.24 3.86 -1.65 1.43 115.15 120.88 2kjc h HIS 47 Ca 0.24 0.00 -0.04 0.00 -1.16 0.00 0.00 60.37 59.41 2kjc h HIS 47 Cb 0.56 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.03 2kjc h HIS 47 CO -0.72 0.11 -0.18 0.37 0.86 0.00 0.00 177.93 178.36 2kjc h GLN 48 N 0.00 0.00 0.00 2.45 5.75 0.25 -3.35 115.11 120.20 2kjc h GLN 48 Ca -0.00 0.00 -0.17 0.00 -0.15 0.00 0.00 58.65 58.32 2kjc h GLN 48 Cb 0.47 0.00 -0.13 0.00 1.07 0.00 0.00 27.48 28.89 2kjc h GLN 48 CO 0.01 0.18 -0.20 -0.11 -2.65 0.00 0.00 178.83 176.06 2kjc n LEU 49 N -3.77 -1.61 0.00 -2.39 7.94 -0.93 -5.11 117.00 111.13 2kjc n LEU 49 Ca -0.02 -2.96 0.00 0.00 -1.11 0.00 0.00 56.01 51.92 2kjc n LEU 49 Cb 0.29 0.25 0.00 0.00 0.53 0.00 0.00 43.42 44.49 2kjc n LEU 49 CO 0.33 1.67 0.00 -3.20 -1.11 0.00 0.00 177.39 175.08 2kjc n ASN 50 N -0.68 0.00 -0.88 1.96 4.05 0.48 -4.95 115.26 115.25 2kjc n ASN 50 Ca -0.10 0.00 0.08 0.00 0.45 0.00 0.00 54.58 55.01 2kjc n ASN 50 Cb 0.79 0.00 -0.02 0.00 1.23 0.00 0.00 39.78 41.78 2kjc n ASN 50 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 177.26 174.39 2kjc n LEU 51 N 0.00 0.00 0.00 1.20 4.32 -1.26 -4.23 117.00 117.03 2kjc n LEU 51 Ca 0.00 0.63 0.00 0.00 -0.02 0.00 0.00 56.01 56.62 2kjc n LEU 51 Cb 0.00 -1.87 0.00 0.00 -1.62 0.00 0.00 43.42 39.93 2kjc n LEU 51 CO 0.00 -1.60 0.00 -1.54 -1.22 0.00 0.00 177.39 173.03 2kjc n SER 52 N -3.92 1.11 0.00 -1.43 3.41 -1.26 -4.72 113.62 106.81 2kjc n SER 52 Ca 0.00 -0.51 -0.16 0.00 -0.26 0.00 0.00 58.87 57.95 2kjc n SER 52 Cb 0.27 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.17 2kjc n SER 52 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 2kjc h GLN 53 N 0.00 0.69 -0.85 4.33 4.20 -1.94 -3.22 115.11 118.32 2kjc h GLN 53 Ca 0.00 -0.58 0.20 0.00 0.06 0.00 0.00 58.65 58.33 2kjc h GLN 53 Cb 0.00 0.13 -0.12 0.00 0.30 0.00 0.00 27.48 27.79 2kjc h GLN 53 CO 0.00 1.19 0.34 0.66 -0.67 0.00 0.00 178.83 180.35 2kjc h SER 54 N 0.46 0.26 -0.42 1.46 4.64 -1.98 0.47 113.55 118.44 2kjc h SER 54 Ca -0.06 0.15 -0.08 0.00 -0.47 0.00 0.00 61.79 61.33 2kjc h SER 54 Cb 1.42 0.14 -0.01 0.00 -0.31 0.00 0.00 62.40 63.63 2kjc h SER 54 CO 0.16 0.01 -0.06 0.78 -0.87 0.00 0.00 176.83 176.84 2kjc h ASN 55 N 0.39 0.79 -0.39 4.97 4.21 -1.97 -2.40 115.58 121.18 2kjc h ASN 55 Ca 0.51 -0.34 -0.09 0.00 1.21 0.00 0.00 56.30 57.59 2kjc h ASN 55 Cb 0.93 -0.21 -0.01 0.00 -1.12 0.00 0.00 38.32 37.91 2kjc h ASN 55 CO -0.51 0.95 -0.12 0.58 -1.29 0.00 0.00 177.43 177.04 2kjc h VAL 56 N 0.62 1.28 -0.48 2.81 2.07 -1.00 -2.06 116.25 119.49 2kjc h VAL 56 Ca 0.11 -1.22 0.04 0.00 0.82 0.00 0.00 66.70 66.46 2kjc h VAL 56 Cb 0.58 1.26 -0.04 0.00 -1.52 0.00 0.00 31.29 31.57 2kjc h VAL 56 CO 0.03 0.41 0.23 0.77 0.02 0.00 0.00 177.57 179.03 2kjc h SER 57 N 0.57 0.33 0.26 0.57 4.64 -0.12 -0.22 113.55 119.58 2kjc h SER 57 Ca 0.09 0.03 -0.06 0.00 -0.47 0.00 0.00 61.79 61.38 2kjc h SER 57 Cb 0.65 -0.03 -0.01 0.00 -0.31 0.00 0.00 62.40 62.70 2kjc h SER 57 CO 0.04 0.23 -0.29 0.45 -0.87 0.00 0.00 176.83 176.39 2kjc h HIS 58 N 0.46 0.05 0.04 4.77 3.86 -1.35 -2.96 115.15 120.02 2kjc h HIS 58 Ca 0.21 -0.01 -0.00 0.00 -1.16 0.00 0.00 60.37 59.41 2kjc h HIS 58 Cb 0.14 -0.01 0.00 0.00 1.06 0.00 0.00 27.41 28.60 2kjc h HIS 58 CO -0.11 0.33 -0.02 0.37 0.86 0.00 0.00 177.93 179.36 2kjc h GLN 59 N 0.04 -0.05 0.00 2.45 4.15 -0.47 -3.13 115.11 118.10 2kjc h GLN 59 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.43 2kjc h GLN 59 Cb 0.53 0.01 0.00 0.00 0.21 0.00 0.00 27.48 28.23 2kjc h GLN 59 CO 0.04 -0.04 0.64 -0.07 -1.93 0.00 0.00 178.83 177.47 2kjc h LEU 60 N -0.10 0.00 -0.03 -2.39 3.38 -1.16 0.76 115.31 115.77 2kjc h LEU 60 Ca -0.01 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.85 2kjc h LEU 60 Cb 0.04 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.80 2kjc h LEU 60 CO 0.01 0.00 -0.44 0.50 0.09 0.00 0.00 178.44 178.60 2kjc h LYS 61 N 0.00 0.35 -0.65 1.13 1.63 -1.46 -1.97 116.57 115.60 2kjc h LYS 61 Ca 0.00 -0.34 -0.07 0.00 -0.85 0.00 0.00 60.65 59.39 2kjc h LYS 61 Cb 1.27 0.09 -0.03 0.00 -0.60 0.00 0.00 32.23 32.96 2kjc h LYS 61 CO 0.00 1.01 0.13 -0.07 -3.45 0.00 0.00 179.45 177.07 2kjc h LEU 62 N -0.18 1.01 -0.93 5.20 3.38 0.56 -2.58 115.31 121.77 2kjc h LEU 62 Ca -0.05 -0.25 -0.09 0.00 0.09 0.00 0.00 57.88 57.59 2kjc h LEU 62 Cb 1.14 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.60 2kjc h LEU 62 CO 0.09 1.00 -0.16 -0.07 0.09 0.00 0.00 178.44 179.38 2kjc h LEU 63 N 0.98 0.60 -0.77 1.67 -0.00 -1.58 -2.84 115.31 113.36 2kjc h LEU 63 Ca 0.20 -0.18 0.17 0.00 -0.00 0.00 0.00 57.88 58.07 2kjc h LEU 63 Cb 0.40 -0.16 -0.11 0.00 -0.00 0.00 0.00 40.66 40.79 2kjc h LEU 63 CO 0.01 0.77 0.24 0.50 -0.00 0.00 0.00 178.44 179.96 2kjc h LYS 64 N 0.55 0.32 -0.19 1.13 3.64 -0.93 0.90 116.57 121.99 2kjc h LYS 64 Ca 0.09 -0.02 0.05 0.00 -1.27 0.00 0.00 60.65 59.50 2kjc h LYS 64 Cb 0.59 -0.07 -0.05 0.00 -0.41 0.00 0.00 32.23 32.29 2kjc h LYS 64 CO 0.04 0.21 -0.13 1.03 -2.27 0.00 0.00 179.45 178.33 2kjc h SER 65 N 0.33 -0.42 1.19 4.20 0.87 -1.46 0.32 113.55 118.58 2kjc h SER 65 Ca 0.44 0.09 0.00 0.00 -1.23 0.00 0.00 61.79 61.09 2kjc h SER 65 Cb 0.76 0.22 0.00 0.00 -0.44 0.00 0.00 62.40 62.94 2kjc h SER 65 CO -0.49 -0.17 0.00 0.58 -0.53 0.00 0.00 176.83 176.22 2kjc h VAL 66 N -0.13 0.00 -2.47 2.23 2.07 -1.18 -3.46 116.25 113.31 2kjc h VAL 66 Ca 0.11 -0.42 -0.41 0.00 0.82 0.00 0.00 66.70 66.80 2kjc h VAL 66 Cb 0.30 1.32 -0.06 0.00 -1.52 0.00 0.00 31.29 31.32 2kjc h VAL 66 CO -0.27 0.00 -0.47 1.57 0.02 0.00 0.00 177.57 178.42 2kjc n HIS 67 N -2.37 -0.74 0.35 1.57 -0.00 0.30 -4.82 115.22 109.51 2kjc n HIS 67 Ca 0.04 0.00 0.10 0.00 0.46 0.00 0.00 57.72 58.32 2kjc n HIS 67 Cb 0.35 -3.73 0.45 0.00 -0.12 0.00 0.00 29.99 26.93 2kjc n HIS 67 CO 0.00 0.00 0.00 -0.11 0.46 0.00 0.00 176.34 176.69 2kjc n LEU 68 N -2.80 0.49 -4.12 0.27 0.00 -1.17 -4.64 117.00 105.03 2kjc n LEU 68 Ca -0.23 0.64 -0.18 0.00 0.00 0.00 0.00 56.01 56.24 2kjc n LEU 68 Cb 0.68 -0.61 -0.13 0.00 0.00 0.00 0.00 43.42 43.36 2kjc n LEU 68 CO 0.29 -0.58 -0.45 0.68 0.00 0.00 0.00 177.39 177.33 2kjc s VAL 69 N -3.28 0.96 0.25 1.96 -7.23 -1.26 -4.49 120.40 107.30 2kjc s VAL 69 Ca 0.03 -0.99 0.11 0.00 -1.81 0.00 0.00 61.98 59.32 2kjc s VAL 69 Cb 0.08 -0.89 -0.05 0.00 0.56 0.00 0.00 36.38 36.08 2kjc s VAL 69 CO 0.31 -0.08 -0.15 -0.75 -0.31 0.00 0.00 175.10 174.11 2kjc s LYS 70 N -1.21 1.83 -0.05 4.82 2.20 -1.14 -4.86 119.74 121.33 2kjc s LYS 70 Ca -0.01 -1.58 -0.30 0.00 -0.36 0.00 0.00 55.97 53.72 2kjc s LYS 70 Cb -0.08 -1.92 0.08 0.00 -1.51 0.00 0.00 37.83 34.41 2kjc s LYS 70 CO 0.01 0.36 0.75 0.00 -0.36 0.00 0.00 175.35 176.12 2kjc s ALA 71 N -2.20 -1.79 -0.12 3.13 0.00 -1.26 -2.24 121.76 117.28 2kjc s ALA 71 Ca 0.28 1.28 -0.06 0.00 0.00 0.00 0.00 51.96 53.46 2kjc s ALA 71 Cb -0.06 -0.05 0.05 0.00 0.00 0.00 0.00 23.12 23.06 2kjc s ALA 71 CO 0.15 -0.41 0.27 -1.59 0.00 0.00 0.00 175.76 174.18 2kjc s LYS 72 N -1.52 0.22 0.71 0.00 -2.85 -1.22 -5.02 119.74 110.05 2kjc s LYS 72 Ca -0.07 0.59 -0.16 0.00 -1.00 0.00 0.00 55.97 55.33 2kjc s LYS 72 Cb -0.00 -0.10 0.02 0.00 -2.06 0.00 0.00 37.83 35.70 2kjc s LYS 72 CO 0.05 -0.18 1.24 1.03 0.10 0.00 0.00 175.35 177.59 2kjc s ARG 73 N 1.45 2.24 -0.43 1.78 0.52 -1.26 -4.31 118.95 118.94 2kjc s ARG 73 Ca -0.08 1.89 0.05 0.00 -0.52 0.00 0.00 55.73 57.07 2kjc s ARG 73 Cb -0.10 -1.83 0.17 0.00 0.52 0.00 0.00 34.95 33.71 2kjc s ARG 73 CO -0.09 -1.79 0.49 -0.65 0.02 0.00 0.00 175.30 173.27 2kjc s GLN 74 N -3.71 0.87 1.99 3.54 -0.21 -1.15 -4.94 119.66 116.05 2kjc s GLN 74 Ca 0.78 -1.29 0.00 0.00 0.02 0.00 0.00 55.36 54.87 2kjc s GLN 74 Cb -0.33 -0.69 0.00 0.00 1.00 0.00 0.00 33.01 32.99 2kjc s GLN 74 CO 0.43 -1.30 0.00 0.41 -2.12 0.00 0.00 175.29 172.72 2kjc n GLY 75 N 3.41 -1.27 0.00 3.09 0.00 -1.26 -3.64 105.19 105.53 2kjc n GLY 75 Ca 0.19 -1.34 0.08 0.00 0.00 0.00 0.00 46.02 44.95 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 0.02 -3.29 1.61 1.13 -1.26 -4.63 117.38 110.96 2kjc n GLN 76 Ca 0.00 0.21 -0.39 0.00 -1.94 0.00 0.00 57.00 54.88 2kjc n GLN 76 Cb 0.00 -1.50 -0.08 0.00 0.11 0.00 0.00 30.24 28.77 2kjc n GLN 76 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 2kjc s SER 77 N -2.97 6.44 -0.93 1.08 0.15 -1.24 -5.02 113.70 111.21 2kjc s SER 77 Ca 0.08 0.52 -0.21 0.00 0.70 0.00 0.00 55.95 57.05 2kjc s SER 77 Cb 0.11 -2.26 0.09 0.00 -1.71 0.00 0.00 66.02 62.25 2kjc s SER 77 CO 0.30 -0.21 1.22 -0.04 1.20 0.00 0.00 173.24 175.71 2kjc s MET 78 N 1.94 3.53 0.10 5.44 -1.94 -1.26 -2.92 119.30 124.19 2kjc s MET 78 Ca 0.21 -1.39 -0.29 0.00 -1.71 0.00 0.00 55.69 52.50 2kjc s MET 78 Cb -0.15 -4.97 -0.06 0.00 2.01 0.00 0.00 34.83 31.66 2kjc s MET 78 CO 0.09 -1.94 0.92 -1.50 -0.01 0.00 0.00 175.02 172.58 2kjc s ILE 79 N 3.71 4.53 0.10 2.53 1.10 -1.26 -4.71 121.20 127.21 2kjc s ILE 79 Ca 0.36 1.97 0.08 0.00 -0.51 0.00 0.00 60.65 62.55 2kjc s ILE 79 Cb -0.05 -4.28 -0.04 0.00 0.15 0.00 0.00 42.46 38.25 2kjc s ILE 79 CO -0.07 0.34 -0.16 -0.31 -2.11 0.00 0.00 174.94 172.63 2kjc s TYR 80 N -0.07 2.60 0.33 3.50 1.51 -1.26 -3.45 117.35 120.51 2kjc s TYR 80 Ca 0.45 -0.23 -0.07 0.00 -1.01 0.00 0.00 57.07 56.21 2kjc s TYR 80 Cb -0.23 -1.39 0.03 0.00 -0.11 0.00 0.00 41.96 40.26 2kjc s TYR 80 CO 0.28 0.38 0.56 -1.13 -1.11 0.00 0.00 175.55 174.54 2kjc n SER 81 N 0.88 -1.61 -4.68 2.29 3.41 -0.95 -4.19 113.62 108.77 2kjc n SER 81 Ca -0.15 -2.58 -0.24 0.00 -0.26 0.00 0.00 58.87 55.63 2kjc n SER 81 Cb 0.52 2.82 0.10 0.00 -0.26 0.00 0.00 64.21 67.40 2kjc n SER 81 CO 0.00 0.00 0.00 -1.48 -0.16 0.00 0.00 175.04 173.40 2kjc s LEU 82 N 0.00 2.96 0.00 1.04 2.34 -1.26 -2.89 118.68 120.87 2kjc s LEU 82 Ca 0.21 -0.12 0.00 0.00 0.06 0.00 0.00 54.13 54.28 2kjc s LEU 82 Cb -0.03 -2.30 0.00 0.00 -0.56 0.00 0.00 46.19 43.30 2kjc s LEU 82 CO 0.15 -1.84 0.00 -0.67 -1.06 0.00 0.00 176.35 172.93 2kjc n ASP 83 N -2.90 0.00 0.00 1.48 2.03 -1.26 -4.30 116.55 111.60 2kjc n ASP 83 Ca 0.13 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.44 2kjc n ASP 83 Cb 0.60 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 41.00 2kjc n ASP 83 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 2kjc n ASP 84 N 0.00 0.38 -4.47 1.67 8.00 -1.26 -4.95 116.55 115.93 2kjc n ASP 84 Ca 0.00 0.00 -0.44 0.00 0.71 0.00 0.00 54.79 55.06 2kjc n ASP 84 Cb 0.00 0.00 -0.01 0.00 -0.02 0.00 0.00 41.12 41.09 2kjc n ASP 84 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2kjc s ILE 85 N 2.57 4.82 0.00 0.53 1.01 -1.26 -4.19 121.20 124.68 2kjc s ILE 85 Ca 0.00 -2.06 0.00 0.00 0.00 0.00 0.00 60.65 58.59 2kjc s ILE 85 Cb 0.00 -4.87 0.00 0.00 0.01 0.00 0.00 42.46 37.60 2kjc s ILE 85 CO 0.00 -1.60 0.00 1.41 0.00 0.00 0.00 174.94 174.75 2kjc n HIS 86 N 6.28 0.00 0.03 3.97 8.25 -1.26 -4.93 115.22 127.57 2kjc n HIS 86 Ca 0.31 0.00 -0.07 0.00 -0.26 0.00 0.00 57.72 57.70 2kjc n HIS 86 Cb 0.46 0.00 -0.12 0.00 1.12 0.00 0.00 29.99 31.45 2kjc n HIS 86 CO 0.00 0.00 0.00 -0.39 0.64 0.00 0.00 176.34 176.59 2kjc h VAL 87 N 0.00 1.42 0.79 1.59 -1.51 -1.97 -3.13 116.25 113.44 2kjc h VAL 87 Ca 0.00 -3.17 -0.04 0.00 -1.23 0.00 0.00 66.70 62.26 2kjc h VAL 87 Cb 0.00 2.70 0.01 0.00 -2.13 0.00 0.00 31.29 31.87 2kjc h VAL 87 CO 0.00 0.81 -0.38 0.00 -1.23 0.00 0.00 177.57 176.77 2kjc h ALA 88 N 1.01 -1.07 0.00 5.19 0.00 -1.92 -2.80 119.26 119.68 2kjc h ALA 88 Ca -0.10 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.56 2kjc h ALA 88 Cb 1.84 0.41 -0.00 0.00 0.00 0.00 0.00 17.79 20.04 2kjc h ALA 88 CO 0.11 -1.06 -0.05 0.00 0.00 0.00 0.00 179.25 178.26 2kjc h THR 89 N -1.15 0.97 -0.04 0.00 1.03 -1.93 -3.09 112.91 108.70 2kjc h THR 89 Ca -0.11 -0.17 0.01 0.00 -0.01 0.00 0.00 66.41 66.13 2kjc h THR 89 Cb 0.83 1.09 -0.03 0.00 -1.07 0.00 0.00 68.15 68.98 2kjc h THR 89 CO 0.18 0.05 -0.24 -0.03 -0.01 0.00 0.00 175.52 175.46 2kjc h MET 90 N 0.00 -0.27 -0.99 0.00 4.05 -1.43 0.47 114.93 116.76 2kjc h MET 90 Ca -0.00 0.02 0.15 0.00 -0.28 0.00 0.00 59.70 59.59 2kjc h MET 90 Cb 0.09 0.06 -0.09 0.00 -0.80 0.00 0.00 31.60 30.86 2kjc h MET 90 CO 0.01 -0.18 0.62 -0.07 0.23 0.00 0.00 176.91 177.52 2kjc h LEU 91 N -0.28 0.85 0.00 3.39 4.07 -1.49 -2.26 115.31 119.59 2kjc h LEU 91 Ca 0.01 0.06 0.00 0.00 0.08 0.00 0.00 57.88 58.03 2kjc h LEU 91 Cb 0.31 -0.10 0.00 0.00 1.08 0.00 0.00 40.66 41.95 2kjc h LEU 91 CO -0.18 0.40 0.00 0.29 -1.08 0.00 0.00 178.44 177.87 2kjc n LYS 92 N -4.66 0.00 -0.32 1.13 5.02 -0.61 -2.79 118.16 115.93 2kjc n LYS 92 Ca 0.20 0.44 0.34 0.00 -2.02 0.00 0.00 58.31 57.28 2kjc n LYS 92 Cb 0.45 -1.29 0.60 0.00 -0.02 0.00 0.00 35.03 34.77 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 0.33 1.97 4.20 -0.05 -0.33 115.11 121.23 2kjc h GLN 93 Ca 0.00 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.69 2kjc h GLN 93 Cb 0.00 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.78 2kjc h GLN 93 CO 0.00 0.00 -0.16 0.00 -0.67 0.00 0.00 178.83 178.00 2kjc h ALA 94 N 0.83 -0.67 0.00 3.87 0.00 -1.35 -3.16 119.26 118.78 2kjc h ALA 94 Ca 0.58 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.39 2kjc h ALA 94 Cb 2.90 0.17 0.00 0.00 0.00 0.00 0.00 17.79 20.86 2kjc h ALA 94 CO -0.01 -0.63 0.00 1.51 0.00 0.00 0.00 179.25 180.12 2kjc n ILE 95 N -3.93 1.08 -0.01 0.00 3.06 -0.36 -2.71 119.36 116.48 2kjc n ILE 95 Ca -0.05 0.27 -0.13 0.00 -2.50 0.00 0.00 62.75 60.34 2kjc n ILE 95 Cb 0.17 -1.04 -0.09 0.00 0.54 0.00 0.00 39.64 39.22 2kjc n ILE 95 CO 0.00 0.00 0.00 0.45 -2.50 0.00 0.00 176.55 174.50 2kjc h HIS 96 N 0.00 0.02 0.00 9.51 3.86 -1.12 -3.05 115.15 124.37 2kjc h HIS 96 Ca 0.00 -0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.20 2kjc h HIS 96 Cb 0.23 -0.01 0.00 0.00 1.06 0.00 0.00 27.41 28.69 2kjc h HIS 96 CO 0.00 0.45 0.00 1.58 0.86 0.00 0.00 177.93 180.82 2kjc n HIS 97 N -4.87 0.00 0.32 2.45 -0.00 -1.10 -3.30 115.22 108.72 2kjc n HIS 97 Ca -0.08 0.00 0.10 0.00 -0.00 0.00 0.00 57.72 57.74 2kjc n HIS 97 Cb 0.23 -0.44 0.46 0.00 -0.00 0.00 0.00 29.99 30.24 2kjc n HIS 97 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2kjc n ALA 98 N -1.44 1.45 -3.95 1.57 0.00 -1.15 -4.85 120.51 112.14 2kjc n ALA 98 Ca 0.09 0.09 -0.00 0.00 0.00 0.00 0.00 53.44 53.62 2kjc n ALA 98 Cb 0.31 -1.33 0.02 0.00 0.00 0.00 0.00 19.45 18.45 2kjc n ALA 98 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2kjc s ASN 99 N -3.96 0.01 -0.28 0.00 2.20 -1.21 -5.11 114.94 106.60 2kjc s ASN 99 Ca 0.02 -0.46 -0.19 0.00 -0.94 0.00 0.00 52.86 51.29 2kjc s ASN 99 Cb 0.08 0.33 0.08 0.00 -2.00 0.00 0.00 41.25 39.74 2kjc s ASN 99 CO 0.30 -0.66 0.73 -1.00 -2.94 0.00 0.00 177.10 173.53 2kjc s HIS 100 N -2.05 -0.93 0.14 1.54 3.76 -1.26 -4.87 115.29 111.62 2kjc s HIS 100 Ca 0.26 1.98 -0.27 0.00 -0.15 0.00 0.00 55.06 56.88 2kjc s HIS 100 Cb -0.02 0.49 -0.07 0.00 1.11 0.00 0.00 32.58 34.09 2kjc s HIS 100 CO 0.03 -0.45 1.47 -1.35 -0.85 0.00 0.00 174.74 173.59 2kjc h PRO 101 N 6.15 -0.06 -4.97 8.40 0.11 -2.02 -3.47 132.00 136.14 2kjc h PRO 101 Ca -0.29 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.82 2kjc h PRO 101 Cb 1.20 0.01 -0.07 0.00 0.11 0.00 0.00 31.00 32.26 2kjc h PRO 101 CO 0.12 -0.04 -1.12 1.63 -0.21 0.00 0.00 178.00 178.38 2kjc n LYS 102 N -4.98 -4.15 0.00 1.05 5.02 -1.26 -5.35 118.16 108.49 2kjc n LYS 102 Ca 0.01 3.10 0.00 0.00 -2.02 0.00 0.00 58.31 59.40 2kjc n LYS 102 Cb 0.24 -4.19 0.00 0.00 -0.02 0.00 0.00 35.03 31.06 2kjc n LYS 102 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27