#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 -1.00 5.53 1.35 -2.05 -3.39 112.91 113.35 2kjc h THR 10 Ca 0.00 -0.51 0.29 0.00 -0.55 0.00 0.00 66.41 65.64 2kjc h THR 10 Cb 0.00 0.00 -0.04 0.00 -1.73 0.00 0.00 68.15 66.38 2kjc h THR 10 CO 0.00 0.00 0.90 -0.67 -0.25 0.00 0.00 175.52 175.50 2kjc n ASP 11 N -3.45 0.00 0.00 5.36 2.03 -1.26 -0.99 116.55 118.24 2kjc n ASP 11 Ca -0.03 0.59 0.00 0.00 0.52 0.00 0.00 54.79 55.87 2kjc n ASP 11 Cb 0.13 -0.25 0.00 0.00 -0.72 0.00 0.00 41.12 40.28 2kjc n ASP 11 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 2kjc n THR 12 N -2.93 0.00 0.43 5.18 -2.24 -1.26 -2.82 114.28 110.64 2kjc n THR 12 Ca 0.22 0.94 0.06 0.00 -2.27 0.00 0.00 64.05 63.00 2kjc n THR 12 Cb 1.20 -1.87 0.26 0.00 -2.10 0.00 0.00 70.33 67.82 2kjc n THR 12 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2kjc n LEU 13 N -1.79 0.00 0.11 3.22 4.32 -0.16 -2.37 117.00 120.34 2kjc n LEU 13 Ca 0.00 0.46 -0.18 0.00 -0.02 0.00 0.00 56.01 56.28 2kjc n LEU 13 Cb 0.00 -0.46 -0.14 0.00 -1.62 0.00 0.00 43.42 41.20 2kjc n LEU 13 CO 0.00 -0.28 -0.07 -0.33 -1.22 0.00 0.00 177.39 175.49 2kjc h GLU 14 N 0.00 0.33 0.22 3.23 4.39 -1.13 -3.14 114.58 118.48 2kjc h GLU 14 Ca 0.00 -0.56 -0.33 0.00 0.34 0.00 0.00 59.36 58.81 2kjc h GLU 14 Cb 0.19 0.20 0.03 0.00 -0.10 0.00 0.00 28.75 29.07 2kjc h GLU 14 CO 0.00 1.26 -1.53 -0.09 -1.16 0.00 0.00 179.01 177.49 2kjc h ARG 15 N 0.10 0.47 -0.95 2.33 2.43 -1.30 -3.20 114.38 114.25 2kjc h ARG 15 Ca -0.16 -0.80 0.07 0.00 -0.81 0.00 0.00 59.98 58.29 2kjc h ARG 15 Cb 1.99 0.30 -0.06 0.00 -0.42 0.00 0.00 29.97 31.77 2kjc h ARG 15 CO 0.22 1.37 0.61 0.28 -1.51 0.00 0.00 179.97 180.94 2kjc h VAL 16 N 0.13 1.05 0.70 0.20 2.07 -1.62 -2.83 116.25 115.95 2kjc h VAL 16 Ca -0.26 -0.37 -0.03 0.00 0.82 0.00 0.00 66.70 66.86 2kjc h VAL 16 Cb 2.13 -0.11 0.01 0.00 -1.52 0.00 0.00 31.29 31.80 2kjc h VAL 16 CO 0.24 0.19 -0.34 0.74 0.02 0.00 0.00 177.57 178.43 2kjc h THR 17 N 1.07 0.00 -1.48 2.57 2.02 -1.63 -2.94 112.91 112.52 2kjc h THR 17 Ca 0.42 -0.13 0.43 0.00 0.77 0.00 0.00 66.41 67.89 2kjc h THR 17 Cb 0.23 0.00 -0.06 0.00 -1.74 0.00 0.00 68.15 66.58 2kjc h THR 17 CO -0.17 0.00 1.15 1.21 0.37 0.00 0.00 175.52 178.08 2kjc n GLU 18 N -4.90 0.00 0.06 6.66 2.13 -1.08 0.55 120.64 124.07 2kjc n GLU 18 Ca -0.12 0.88 -0.11 0.00 0.66 0.00 0.00 57.16 58.47 2kjc n GLU 18 Cb 0.37 -2.07 -0.05 0.00 0.27 0.00 0.00 31.44 29.97 2kjc n GLU 18 CO 0.00 0.00 0.00 0.82 -0.41 0.00 0.00 177.13 177.54 2kjc h ILE 19 N 0.00 0.49 0.19 6.31 2.04 -1.43 0.41 117.51 125.52 2kjc h ILE 19 Ca 0.70 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 66.55 2kjc h ILE 19 Cb 2.99 0.49 0.00 0.00 -0.74 0.00 0.00 36.82 39.56 2kjc h ILE 19 CO -0.01 0.00 -0.09 -0.26 0.00 0.00 0.00 178.15 177.79 2kjc h PHE 20 N -0.35 -0.24 -0.91 1.37 0.04 -0.06 -3.24 116.94 113.56 2kjc h PHE 20 Ca 0.06 -0.01 0.25 0.00 2.80 0.00 0.00 57.97 61.07 2kjc h PHE 20 Cb 0.43 0.08 -0.16 0.00 2.20 0.00 0.00 35.95 38.49 2kjc h PHE 20 CO -0.26 -0.15 0.12 -0.22 -0.60 0.00 0.00 178.31 177.20 2kjc h LYS 21 N -0.96 0.09 0.00 1.51 3.64 -1.56 1.42 116.57 120.71 2kjc h LYS 21 Ca -0.03 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.34 2kjc h LYS 21 Cb 0.20 -0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 31.99 2kjc h LYS 21 CO 0.04 0.06 -0.04 0.00 -2.27 0.00 0.00 179.45 177.24 2kjc h ALA 22 N 1.86 1.36 -0.15 5.00 0.00 -1.03 -1.82 119.26 124.48 2kjc h ALA 22 Ca 0.56 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 55.36 2kjc h ALA 22 Cb 1.14 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.88 2kjc h ALA 22 CO -0.77 0.05 0.09 -0.11 0.00 0.00 0.00 179.25 178.51 2kjc n LEU 23 N -3.65 3.42 -4.51 0.00 7.94 0.49 -4.73 117.00 115.95 2kjc n LEU 23 Ca -0.02 -1.74 -0.43 0.00 -1.11 0.00 0.00 56.01 52.70 2kjc n LEU 23 Cb 0.14 -0.55 -0.01 0.00 0.53 0.00 0.00 43.42 43.53 2kjc n LEU 23 CO 0.27 0.56 1.55 -0.83 -1.11 0.00 0.00 177.39 177.83 2kjc s GLY 24 N 0.57 1.98 -0.15 -3.96 0.00 -0.69 -4.90 107.32 100.17 2kjc s GLY 24 Ca 0.09 -3.03 -0.29 0.00 0.00 0.00 0.00 44.72 41.49 2kjc s GLY 24 CO 0.02 2.33 0.77 0.99 0.00 0.00 0.00 173.10 177.21 2kjc s ASP 25 N 3.61 -0.63 -0.03 1.64 1.01 -1.26 -5.09 116.67 115.92 2kjc s ASP 25 Ca 0.46 0.90 -0.02 0.00 0.71 0.00 0.00 52.55 54.60 2kjc s ASP 25 Cb -0.01 0.81 -0.01 0.00 1.01 0.00 0.00 42.92 44.73 2kjc s ASP 25 CO 0.01 -0.42 -0.03 1.88 0.21 0.00 0.00 175.17 176.81 2kjc h TYR 26 N 3.64 0.00 0.00 4.23 -1.99 -2.02 -3.36 116.97 117.47 2kjc h TYR 26 Ca -0.26 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.47 2kjc h TYR 26 Cb 1.15 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.88 2kjc h TYR 26 CO 0.36 0.00 0.29 -0.91 -0.00 0.00 0.00 178.16 177.90 2kjc h ASN 27 N -0.25 0.00 0.81 3.88 -0.26 -2.01 0.33 115.58 118.09 2kjc h ASN 27 Ca 0.00 0.00 -0.18 0.00 -0.56 0.00 0.00 56.30 55.56 2kjc h ASN 27 Cb 0.10 0.00 -0.02 0.00 -1.06 0.00 0.00 38.32 37.34 2kjc h ASN 27 CO 0.00 0.00 -0.85 -0.09 -1.06 0.00 0.00 177.43 175.43 2kjc h ARG 28 N 0.00 0.02 -0.15 0.81 2.43 -1.99 -2.96 114.38 112.54 2kjc h ARG 28 Ca 0.00 -0.02 -0.19 0.00 -0.81 0.00 0.00 59.98 58.96 2kjc h ARG 28 Cb 0.57 0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 30.13 2kjc h ARG 28 CO 0.00 0.85 -0.67 0.82 -1.51 0.00 0.00 179.97 179.46 2kjc h ILE 29 N 0.01 1.33 -0.03 1.20 1.08 -0.47 -2.04 117.51 118.59 2kjc h ILE 29 Ca -0.01 -1.96 -0.13 0.00 -0.39 0.00 0.00 64.86 62.37 2kjc h ILE 29 Cb 1.49 1.93 -0.02 0.00 -3.07 0.00 0.00 36.82 37.16 2kjc h ILE 29 CO 0.11 0.61 -0.58 -0.09 -0.69 0.00 0.00 178.15 177.51 2kjc h ARG 30 N 0.42 0.09 0.02 2.37 2.43 -1.59 -2.82 114.38 115.30 2kjc h ARG 30 Ca -0.02 -0.06 -0.00 0.00 -0.81 0.00 0.00 59.98 59.09 2kjc h ARG 30 Cb 1.25 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.81 2kjc h ARG 30 CO 0.13 0.64 -0.01 0.82 -1.51 0.00 0.00 179.97 180.04 2kjc h ILE 31 N 0.07 1.46 -0.92 1.20 2.04 -1.47 -3.18 117.51 116.71 2kjc h ILE 31 Ca -0.00 -1.51 0.19 0.00 1.00 0.00 0.00 64.86 64.53 2kjc h ILE 31 Cb 1.04 2.47 -0.07 0.00 -0.74 0.00 0.00 36.82 39.52 2kjc h ILE 31 CO 0.08 0.39 0.60 -0.03 0.00 0.00 0.00 178.15 179.18 2kjc h MET 32 N -0.68 0.50 0.44 2.37 4.05 -1.39 -1.73 114.93 118.49 2kjc h MET 32 Ca -0.00 -0.03 -0.02 0.00 -0.28 0.00 0.00 59.70 59.37 2kjc h MET 32 Cb 0.65 -0.11 -0.01 0.00 -0.80 0.00 0.00 31.60 31.32 2kjc h MET 32 CO 0.00 0.33 -0.38 1.49 0.23 0.00 0.00 176.91 178.58 2kjc h GLU 33 N 0.51 -0.78 -0.33 0.39 4.81 -1.48 -1.86 114.58 115.85 2kjc h GLU 33 Ca 0.49 0.05 0.07 0.00 -0.13 0.00 0.00 59.36 59.84 2kjc h GLU 33 Cb 1.05 0.18 -0.08 0.00 0.63 0.00 0.00 28.75 30.52 2kjc h GLU 33 CO -0.22 -0.52 -0.32 1.25 -0.73 0.00 0.00 179.01 178.48 2kjc h LEU 34 N -0.80 -1.04 -0.85 1.64 5.85 -1.36 -1.50 115.31 117.24 2kjc h LEU 34 Ca -0.06 0.18 0.14 0.00 0.84 0.00 0.00 57.88 58.98 2kjc h LEU 34 Cb 0.68 0.48 -0.15 0.00 0.37 0.00 0.00 40.66 42.04 2kjc h LEU 34 CO -0.01 -0.32 -0.35 0.25 -0.34 0.00 0.00 178.44 177.66 2kjc h LEU 35 N -0.28 -1.25 -0.57 2.25 7.12 -1.16 0.33 115.31 121.75 2kjc h LEU 35 Ca 0.15 0.28 0.07 0.00 0.13 0.00 0.00 57.88 58.51 2kjc h LEU 35 Cb 0.53 0.67 -0.06 0.00 -0.53 0.00 0.00 40.66 41.27 2kjc h LEU 35 CO -0.49 -0.29 0.25 0.28 -0.13 0.00 0.00 178.44 178.06 2kjc h SER 36 N -0.05 0.32 -0.48 1.25 0.02 -0.43 -1.05 113.55 113.13 2kjc h SER 36 Ca 0.32 0.05 0.13 0.00 -0.84 0.00 0.00 61.79 61.45 2kjc h SER 36 Cb 0.59 -0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.11 2kjc h SER 36 CO -0.88 0.21 0.34 0.58 -1.14 0.00 0.00 176.83 175.94 2kjc h VAL 37 N 0.48 0.78 0.00 2.27 2.07 0.20 -3.44 116.25 118.61 2kjc h VAL 37 Ca 0.27 -0.02 0.00 0.00 0.82 0.00 0.00 66.70 67.77 2kjc h VAL 37 Cb 0.24 0.72 0.00 0.00 -1.52 0.00 0.00 31.29 30.74 2kjc h VAL 37 CO -0.22 0.01 0.00 -0.24 0.02 0.00 0.00 177.57 177.14 2kjc n SER 38 N -4.41 0.00 -4.59 0.57 2.88 -0.40 -5.12 113.62 102.55 2kjc n SER 38 Ca 0.08 0.00 -0.35 0.00 -1.33 0.00 0.00 58.87 57.27 2kjc n SER 38 Cb 0.52 0.00 0.09 0.00 -0.75 0.00 0.00 64.21 64.07 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 -0.32 0.38 -3.71 -1.46 0.28 -1.23 -4.37 120.64 110.22 2kjc n GLU 39 Ca 0.00 0.18 -0.10 0.00 -0.16 0.00 0.00 57.16 57.09 2kjc n GLU 39 Cb 0.00 -2.16 -0.03 0.00 1.43 0.00 0.00 31.44 30.67 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 -1.91 -1.08 0.46 -1.84 0.00 -1.26 -5.05 121.76 111.08 2kjc s ALA 40 Ca 0.71 -0.13 -0.03 0.00 0.00 0.00 0.00 51.96 52.51 2kjc s ALA 40 Cb -0.33 0.86 -0.02 0.00 0.00 0.00 0.00 23.12 23.63 2kjc s ALA 40 CO 0.53 -0.84 0.73 -1.54 0.00 0.00 0.00 175.76 174.64 2kjc s SER 41 N -2.86 6.09 0.17 0.00 1.04 -1.26 -4.46 113.70 112.41 2kjc s SER 41 Ca 0.08 0.67 -0.19 0.00 0.48 0.00 0.00 55.95 57.00 2kjc s SER 41 Cb -0.02 -1.99 0.09 0.00 0.10 0.00 0.00 66.02 64.20 2kjc s SER 41 CO -0.03 -0.61 1.64 0.58 0.98 0.00 0.00 173.24 175.80 2kjc h VAL 42 N 0.31 0.45 -0.70 5.02 2.07 -2.01 -0.68 116.25 120.71 2kjc h VAL 42 Ca -0.47 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.07 2kjc h VAL 42 Cb 1.22 0.45 -0.04 0.00 -1.52 0.00 0.00 31.29 31.41 2kjc h VAL 42 CO 0.61 0.00 0.47 1.23 0.02 0.00 0.00 177.57 179.89 2kjc h GLY 43 N -0.12 0.98 1.83 2.17 0.00 -1.97 -1.88 103.07 104.09 2kjc h GLY 43 Ca 0.19 -0.36 -0.06 0.00 0.00 0.00 0.00 47.33 47.10 2kjc h GLY 43 CO -0.45 0.33 -0.20 0.84 0.00 0.00 0.00 176.54 177.06 2kjc h HIS 44 N 0.91 0.21 0.00 5.60 6.17 -1.53 -2.43 115.15 124.09 2kjc h HIS 44 Ca 0.27 -0.03 -0.10 0.00 0.71 0.00 0.00 60.37 61.22 2kjc h HIS 44 Cb -0.05 -0.06 -0.01 0.00 2.52 0.00 0.00 27.41 29.81 2kjc h HIS 44 CO -0.00 0.40 -0.47 0.82 0.71 0.00 0.00 177.93 179.39 2kjc h ILE 45 N 0.19 1.15 -0.28 6.26 2.04 -0.57 -3.05 117.51 123.24 2kjc h ILE 45 Ca 0.03 -1.73 0.08 0.00 1.00 0.00 0.00 64.86 64.25 2kjc h ILE 45 Cb 0.47 1.98 -0.01 0.00 -0.74 0.00 0.00 36.82 38.52 2kjc h ILE 45 CO 0.03 0.46 0.38 0.77 0.00 0.00 0.00 178.15 179.79 2kjc h SER 46 N 0.00 0.00 1.08 1.72 4.64 -1.27 0.82 113.55 120.55 2kjc h SER 46 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2kjc h SER 46 Cb 0.94 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.03 2kjc h SER 46 CO 0.06 0.00 0.00 1.57 -0.87 0.00 0.00 176.83 177.59 2kjc n HIS 47 N -3.55 0.27 -0.01 4.77 -0.00 -1.15 -3.35 115.22 112.20 2kjc n HIS 47 Ca 0.04 0.08 -0.16 0.00 -0.00 0.00 0.00 57.72 57.68 2kjc n HIS 47 Cb 0.52 -0.63 -0.11 0.00 -0.00 0.00 0.00 29.99 29.77 2kjc n HIS 47 CO 0.00 0.00 0.00 0.37 -0.00 0.00 0.00 176.34 176.71 2kjc h GLN 48 N 0.00 0.30 0.00 1.57 4.15 0.50 -3.46 115.11 118.17 2kjc h GLN 48 Ca 0.00 -0.32 0.00 0.00 0.77 0.00 0.00 58.65 59.10 2kjc h GLN 48 Cb 0.54 0.09 0.00 0.00 0.21 0.00 0.00 27.48 28.32 2kjc h GLN 48 CO 0.00 1.01 0.00 -0.11 -1.93 0.00 0.00 178.83 177.80 2kjc n LEU 49 N -4.35 0.00 -4.70 -2.39 7.94 -1.23 -5.10 117.00 107.16 2kjc n LEU 49 Ca -0.10 0.00 -0.42 0.00 -1.11 0.00 0.00 56.01 54.38 2kjc n LEU 49 Cb 0.59 0.00 -0.03 0.00 0.53 0.00 0.00 43.42 44.51 2kjc n LEU 49 CO 0.43 0.00 0.66 0.20 -1.11 0.00 0.00 177.39 177.57 2kjc s ASN 50 N -0.35 7.22 -0.33 1.96 -0.87 -1.21 -4.93 114.94 116.43 2kjc s ASN 50 Ca 0.00 1.49 0.10 0.00 -1.57 0.00 0.00 52.86 52.88 2kjc s ASN 50 Cb 0.00 -2.53 0.73 0.00 -0.02 0.00 0.00 41.25 39.43 2kjc s ASN 50 CO 0.00 -0.30 1.79 0.18 -2.57 0.00 0.00 177.10 176.20 2kjc n LEU 51 N 4.34 5.99 -3.66 0.60 7.99 -1.26 -4.23 117.00 126.77 2kjc n LEU 51 Ca 0.05 -3.27 -0.13 0.00 -0.01 0.00 0.00 56.01 52.66 2kjc n LEU 51 Cb 0.50 -0.74 -0.08 0.00 -0.11 0.00 0.00 43.42 42.99 2kjc n LEU 51 CO 0.51 0.84 0.31 -0.94 -1.51 0.00 0.00 177.39 176.60 2kjc s SER 52 N -1.16 -0.69 0.28 -1.43 1.04 -1.26 -5.04 113.70 105.44 2kjc s SER 52 Ca 0.55 1.29 0.21 0.00 0.48 0.00 0.00 55.95 58.47 2kjc s SER 52 Cb 0.44 1.28 0.12 0.00 0.10 0.00 0.00 66.02 67.95 2kjc s SER 52 CO 0.13 -0.22 1.28 1.56 0.98 0.00 0.00 173.24 176.96 2kjc h GLN 53 N 5.51 0.00 -0.36 4.02 4.20 -1.94 -3.34 115.11 123.20 2kjc h GLN 53 Ca -0.29 0.00 -0.09 0.00 0.06 0.00 0.00 58.65 58.33 2kjc h GLN 53 Cb 1.18 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.94 2kjc h GLN 53 CO 0.12 0.10 -0.15 0.66 -0.67 0.00 0.00 178.83 178.89 2kjc h SER 54 N 0.00 0.64 -0.19 1.46 4.64 -2.00 -2.58 113.55 115.51 2kjc h SER 54 Ca -0.02 -0.19 -0.11 0.00 -0.47 0.00 0.00 61.79 60.99 2kjc h SER 54 Cb 1.12 -0.17 -0.01 0.00 -0.31 0.00 0.00 62.40 63.03 2kjc h SER 54 CO 0.01 0.81 -0.26 -0.55 -0.87 0.00 0.00 176.83 175.98 2kjc h ASN 55 N 0.59 0.67 -0.20 4.97 7.08 -2.01 -2.95 115.58 123.74 2kjc h ASN 55 Ca 0.10 -0.25 -0.12 0.00 -3.08 0.00 0.00 56.30 52.95 2kjc h ASN 55 Cb 0.60 -0.19 -0.01 0.00 -2.08 0.00 0.00 38.32 36.64 2kjc h ASN 55 CO 0.04 0.91 -0.30 0.58 -2.08 0.00 0.00 177.43 176.58 2kjc h VAL 56 N 0.58 1.28 -0.94 6.14 2.07 -1.67 -2.08 116.25 121.63 2kjc h VAL 56 Ca 0.08 -1.42 0.07 0.00 0.82 0.00 0.00 66.70 66.25 2kjc h VAL 56 Cb 0.74 1.35 -0.07 0.00 -1.52 0.00 0.00 31.29 31.79 2kjc h VAL 56 CO 0.06 0.46 0.59 0.28 0.02 0.00 0.00 177.57 178.98 2kjc h SER 57 N 0.59 0.93 0.21 0.57 0.02 -1.29 0.22 113.55 114.80 2kjc h SER 57 Ca 0.07 0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 61.03 2kjc h SER 57 Cb 0.80 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 63.16 2kjc h SER 57 CO 0.07 0.58 -0.10 0.45 -1.14 0.00 0.00 176.83 176.69 2kjc h HIS 58 N 1.06 -0.27 -0.38 3.45 3.86 -1.47 -3.00 115.15 118.40 2kjc h HIS 58 Ca 0.41 -0.01 0.08 0.00 -1.16 0.00 0.00 60.37 59.70 2kjc h HIS 58 Cb 0.20 0.09 -0.09 0.00 1.06 0.00 0.00 27.41 28.67 2kjc h HIS 58 CO -0.02 -0.17 -0.28 0.37 0.86 0.00 0.00 177.93 178.69 2kjc h GLN 59 N -1.05 -0.22 -0.58 2.45 4.15 -1.35 0.78 115.11 119.30 2kjc h GLN 59 Ca -0.03 0.01 0.09 0.00 0.77 0.00 0.00 58.65 59.50 2kjc h GLN 59 Cb 0.22 0.05 -0.03 0.00 0.21 0.00 0.00 27.48 27.93 2kjc h GLN 59 CO 0.05 -0.14 0.39 1.25 -1.93 0.00 0.00 178.83 178.45 2kjc h LEU 60 N -0.22 0.35 -1.79 -2.39 5.85 -1.10 -0.13 115.31 115.87 2kjc h LEU 60 Ca 0.18 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.90 2kjc h LEU 60 Cb 0.51 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.46 2kjc h LEU 60 CO -0.51 0.21 0.05 0.50 -0.34 0.00 0.00 178.44 178.36 2kjc h LYS 61 N 0.39 0.18 0.21 1.25 3.64 -0.69 -2.12 116.57 119.44 2kjc h LYS 61 Ca 0.27 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.62 2kjc h LYS 61 Cb 0.53 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.31 2kjc h LYS 61 CO -0.07 0.16 -0.10 -0.07 -2.27 0.00 0.00 179.45 177.09 2kjc h LEU 62 N 0.19 -0.24 -1.44 5.20 3.38 -0.79 -3.06 115.31 118.54 2kjc h LEU 62 Ca 0.05 -0.29 0.18 0.00 0.09 0.00 0.00 57.88 57.91 2kjc h LEU 62 Cb 0.04 0.06 -0.07 0.00 0.09 0.00 0.00 40.66 40.79 2kjc h LEU 62 CO -0.01 0.23 0.58 -0.07 0.09 0.00 0.00 178.44 179.26 2kjc h LEU 63 N -0.78 0.49 -1.86 1.67 4.07 -1.42 0.58 115.31 118.05 2kjc h LEU 63 Ca -0.03 0.04 -0.02 0.00 0.08 0.00 0.00 57.88 57.96 2kjc h LEU 63 Cb 0.51 -0.05 -0.00 0.00 1.08 0.00 0.00 40.66 42.20 2kjc h LEU 63 CO 0.05 0.21 -0.07 0.50 -1.08 0.00 0.00 178.44 178.05 2kjc h LYS 64 N 0.50 0.00 -0.03 1.13 3.64 -1.34 -1.16 116.57 119.30 2kjc h LYS 64 Ca 0.46 0.00 -0.18 0.00 -1.27 0.00 0.00 60.65 59.66 2kjc h LYS 64 Cb 1.00 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.81 2kjc h LYS 64 CO -0.19 0.07 -0.76 1.03 -2.27 0.00 0.00 179.45 177.33 2kjc h SER 65 N 0.00 0.29 0.08 4.20 0.87 0.26 -2.71 113.55 116.55 2kjc h SER 65 Ca -0.00 -0.21 0.00 0.00 -1.23 0.00 0.00 61.79 60.35 2kjc h SER 65 Cb 0.13 -0.09 0.00 0.00 -0.44 0.00 0.00 62.40 62.00 2kjc h SER 65 CO 0.01 0.95 0.00 0.52 -0.53 0.00 0.00 176.83 177.78 2kjc n VAL 66 N -3.76 0.02 -0.97 2.23 0.31 -0.48 -4.85 118.33 110.82 2kjc n VAL 66 Ca -0.03 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.30 2kjc n VAL 66 Cb 0.73 -0.55 0.00 0.00 -0.91 0.00 0.00 33.84 33.11 2kjc n VAL 66 CO 0.00 0.00 0.00 1.57 -1.32 0.00 0.00 176.83 177.08 2kjc n HIS 67 N -1.04 0.00 0.58 3.52 -0.00 -0.93 -4.82 115.22 112.52 2kjc n HIS 67 Ca 0.21 0.00 0.12 0.00 0.46 0.00 0.00 57.72 58.50 2kjc n HIS 67 Cb 0.12 -1.36 0.45 0.00 -0.12 0.00 0.00 29.99 29.08 2kjc n HIS 67 CO 0.00 0.00 0.00 1.28 0.46 0.00 0.00 176.34 178.08 2kjc n LEU 68 N 0.00 0.46 -3.96 0.27 4.77 -1.09 -4.82 117.00 112.62 2kjc n LEU 68 Ca 0.00 0.58 -0.09 0.00 -0.03 0.00 0.00 56.01 56.47 2kjc n LEU 68 Cb 0.32 -0.48 -0.08 0.00 -2.33 0.00 0.00 43.42 40.85 2kjc n LEU 68 CO 0.00 -0.30 -0.12 0.54 -1.33 0.00 0.00 177.39 176.17 2kjc s VAL 69 N -3.14 0.11 0.28 4.08 0.11 -1.25 -3.81 120.40 116.79 2kjc s VAL 69 Ca 0.08 -1.43 0.00 0.00 -2.93 0.00 0.00 61.98 57.70 2kjc s VAL 69 Cb 0.12 -1.65 -0.02 0.00 -1.53 0.00 0.00 36.38 33.29 2kjc s VAL 69 CO 0.44 -0.52 0.29 -1.59 -3.33 0.00 0.00 175.10 170.39 2kjc s LYS 70 N -3.94 1.57 0.11 1.54 -2.85 -1.26 -4.57 119.74 110.34 2kjc s LYS 70 Ca 0.13 -1.75 -0.17 0.00 -1.00 0.00 0.00 55.97 53.18 2kjc s LYS 70 Cb 0.05 0.35 0.04 0.00 -2.06 0.00 0.00 37.83 36.20 2kjc s LYS 70 CO -0.05 -0.59 0.41 0.00 0.10 0.00 0.00 175.35 175.23 2kjc s ALA 71 N -3.68 -0.98 0.12 0.59 0.00 -1.26 -3.91 121.76 112.64 2kjc s ALA 71 Ca 0.36 0.06 -0.11 0.00 0.00 0.00 0.00 51.96 52.27 2kjc s ALA 71 Cb 0.03 0.63 0.01 0.00 0.00 0.00 0.00 23.12 23.78 2kjc s ALA 71 CO 0.19 -0.61 0.27 0.21 0.00 0.00 0.00 175.76 175.82 2kjc s LYS 72 N -3.52 0.98 -0.04 0.00 2.20 -0.57 -5.01 119.74 113.78 2kjc s LYS 72 Ca 0.01 -0.95 -0.15 0.00 -0.36 0.00 0.00 55.97 54.52 2kjc s LYS 72 Cb 0.01 0.38 -0.05 0.00 -1.51 0.00 0.00 37.83 36.66 2kjc s LYS 72 CO -0.10 -0.35 0.41 -0.98 -0.36 0.00 0.00 175.35 173.97 2kjc s ARG 73 N -3.87 4.04 -0.48 4.03 1.70 -1.26 -2.41 118.95 120.70 2kjc s ARG 73 Ca 0.07 0.38 0.06 0.00 -0.47 0.00 0.00 55.73 55.78 2kjc s ARG 73 Cb 0.04 -3.29 0.18 0.00 -0.57 0.00 0.00 34.95 31.31 2kjc s ARG 73 CO -0.08 0.54 0.59 -1.14 -1.08 0.00 0.00 175.30 174.12 2kjc s GLN 74 N -0.57 1.00 -0.06 3.89 0.74 -0.95 -4.95 119.66 118.77 2kjc s GLN 74 Ca 0.23 -1.39 -0.00 0.00 0.05 0.00 0.00 55.36 54.26 2kjc s GLN 74 Cb -0.16 -0.52 0.00 0.00 1.10 0.00 0.00 33.01 33.43 2kjc s GLN 74 CO 0.12 -1.34 0.05 0.41 -0.55 0.00 0.00 175.29 173.97 2kjc n GLY 75 N 2.98 0.43 4.37 2.59 0.00 -1.26 -3.53 105.19 110.76 2kjc n GLY 75 Ca 0.22 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 45.77 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 -1.13 0.00 -3.04 1.61 7.27 -1.26 -4.92 117.38 115.91 2kjc n GLN 76 Ca -0.01 0.00 -0.41 0.00 0.07 0.00 0.00 57.00 56.65 2kjc n GLN 76 Cb 0.51 -2.51 -0.06 0.00 2.41 0.00 0.00 30.24 30.59 2kjc n GLN 76 CO 0.00 0.00 0.00 -1.54 0.07 0.00 0.00 177.06 175.59 2kjc s SER 77 N -1.69 6.69 -1.05 1.69 1.04 -1.23 -4.99 113.70 114.16 2kjc s SER 77 Ca 0.00 0.85 -0.21 0.00 0.48 0.00 0.00 55.95 57.07 2kjc s SER 77 Cb 0.00 -2.37 0.08 0.00 0.10 0.00 0.00 66.02 63.83 2kjc s SER 77 CO 0.00 -0.39 1.40 -0.04 0.98 0.00 0.00 173.24 175.19 2kjc s MET 78 N 2.47 3.68 0.44 4.02 -1.94 -1.26 -2.24 119.30 124.46 2kjc s MET 78 Ca 0.30 -1.52 -0.05 0.00 -1.71 0.00 0.00 55.69 52.71 2kjc s MET 78 Cb -0.16 -5.24 -0.04 0.00 2.01 0.00 0.00 34.83 31.40 2kjc s MET 78 CO 0.09 -2.07 0.73 0.42 -0.01 0.00 0.00 175.02 174.18 2kjc s ILE 79 N 4.02 4.94 0.32 2.53 -1.09 -1.01 -4.78 121.20 126.12 2kjc s ILE 79 Ca 0.43 0.13 -0.07 0.00 -2.23 0.00 0.00 60.65 58.91 2kjc s ILE 79 Cb -0.01 -3.84 0.01 0.00 -1.58 0.00 0.00 42.46 37.03 2kjc s ILE 79 CO -0.07 -0.74 0.50 -0.72 -1.23 0.00 0.00 174.94 172.68 2kjc s TYR 80 N -2.60 0.77 0.22 3.97 -0.85 -1.26 -1.51 117.35 116.09 2kjc s TYR 80 Ca 0.46 -1.09 -0.07 0.00 -0.52 0.00 0.00 57.07 55.86 2kjc s TYR 80 Cb -0.10 0.08 0.03 0.00 0.38 0.00 0.00 41.96 42.34 2kjc s TYR 80 CO 0.41 -1.13 0.41 0.45 -1.52 0.00 0.00 175.55 174.17 2kjc n SER 81 N -1.09 -1.19 -4.79 -0.18 2.88 -1.25 -4.19 113.62 103.80 2kjc n SER 81 Ca -0.01 -1.95 -0.34 0.00 -1.33 0.00 0.00 58.87 55.25 2kjc n SER 81 Cb 0.62 2.02 -0.01 0.00 -0.75 0.00 0.00 64.21 66.08 2kjc n SER 81 CO 0.00 0.00 0.00 -0.22 -1.23 0.00 0.00 175.04 173.59 2kjc s LEU 82 N 0.00 3.69 0.00 2.46 2.96 -1.26 -4.24 118.68 122.29 2kjc s LEU 82 Ca 0.11 1.95 0.00 0.00 -0.22 0.00 0.00 54.13 55.97 2kjc s LEU 82 Cb -0.02 -4.56 0.00 0.00 0.50 0.00 0.00 46.19 42.11 2kjc s LEU 82 CO 0.08 -1.04 0.29 -0.67 -1.32 0.00 0.00 176.35 173.69 2kjc n ASP 83 N -1.44 0.00 -0.79 3.68 2.03 -1.25 -4.91 116.55 113.87 2kjc n ASP 83 Ca 0.10 0.29 0.00 0.00 0.52 0.00 0.00 54.79 55.70 2kjc n ASP 83 Cb 0.52 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.92 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 -0.48 0.00 0.00 1.67 9.92 -1.26 -4.99 116.55 121.41 2kjc n ASP 84 Ca 0.00 -0.79 0.03 0.00 -0.53 0.00 0.00 54.79 53.50 2kjc n ASP 84 Cb 0.00 0.00 0.20 0.00 -0.64 0.00 0.00 41.12 40.68 2kjc n ASP 84 CO 0.00 0.00 0.00 2.30 0.13 0.00 0.00 177.20 179.63 2kjc n ILE 85 N 0.00 0.00 0.00 0.53 -5.35 -1.26 -3.45 119.36 109.83 2kjc n ILE 85 Ca 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.48 2kjc n ILE 85 Cb 0.00 -0.46 0.00 0.00 -1.74 0.00 0.00 39.64 37.44 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 -0.71 0.00 0.08 4.28 8.25 -1.26 -4.31 115.22 121.55 2kjc n HIS 86 Ca 0.05 0.00 0.18 0.00 -0.26 0.00 0.00 57.72 57.69 2kjc n HIS 86 Cb 0.02 0.00 0.50 0.00 1.12 0.00 0.00 29.99 31.63 2kjc n HIS 86 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 2kjc h VAL 87 N 0.00 0.10 -0.53 1.59 2.07 -2.00 -1.05 116.25 116.43 2kjc h VAL 87 Ca 0.00 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.62 2kjc h VAL 87 Cb 0.00 0.29 -0.11 0.00 -1.52 0.00 0.00 31.29 29.96 2kjc h VAL 87 CO 0.00 0.00 -0.23 0.00 0.02 0.00 0.00 177.57 177.36 2kjc h ALA 88 N 0.82 0.15 0.12 1.67 0.00 -1.75 -2.07 119.26 118.20 2kjc h ALA 88 Ca 0.22 0.18 -0.27 0.00 0.00 0.00 0.00 54.91 55.04 2kjc h ALA 88 Cb 1.83 0.58 0.03 0.00 0.00 0.00 0.00 17.79 20.22 2kjc h ALA 88 CO -0.00 -0.56 -1.13 1.15 0.00 0.00 0.00 179.25 178.71 2kjc h THR 89 N -0.10 1.33 -0.95 0.00 2.02 -1.38 -3.20 112.91 110.63 2kjc h THR 89 Ca 0.24 -2.43 0.29 0.00 0.77 0.00 0.00 66.41 65.27 2kjc h THR 89 Cb 0.49 2.76 -0.15 0.00 -1.74 0.00 0.00 68.15 69.51 2kjc h THR 89 CO -0.60 0.73 0.40 -0.03 0.37 0.00 0.00 175.52 176.39 2kjc h MET 90 N 0.15 0.24 0.32 6.66 -1.53 -1.41 1.00 114.93 120.36 2kjc h MET 90 Ca -0.17 -0.01 -0.02 0.00 -3.44 0.00 0.00 59.70 56.06 2kjc h MET 90 Cb 1.83 -0.06 0.00 0.00 -0.55 0.00 0.00 31.60 32.83 2kjc h MET 90 CO 0.22 0.16 -0.15 1.25 0.14 0.00 0.00 176.91 178.53 2kjc h LEU 91 N 0.25 -0.36 -0.15 3.39 6.46 -1.48 -2.74 115.31 120.68 2kjc h LEU 91 Ca 0.65 -0.12 0.00 0.00 -0.12 0.00 0.00 57.88 58.30 2kjc h LEU 91 Cb 1.43 0.09 0.00 0.00 -0.73 0.00 0.00 40.66 41.45 2kjc h LEU 91 CO -0.65 0.11 0.00 1.17 -0.62 0.00 0.00 178.44 178.45 2kjc n LYS 92 N -5.06 0.02 0.04 1.25 4.81 -0.56 -0.48 118.16 118.17 2kjc n LYS 92 Ca -0.07 0.50 -0.00 0.00 -0.87 0.00 0.00 58.31 57.86 2kjc n LYS 92 Cb 0.23 -1.55 -0.08 0.00 0.02 0.00 0.00 35.03 33.65 2kjc n LYS 92 CO 0.00 0.00 0.00 0.37 1.17 0.00 0.00 177.40 178.94 2kjc h GLN 93 N 0.00 0.00 0.49 1.64 4.15 0.11 -3.20 115.11 118.30 2kjc h GLN 93 Ca 0.00 0.00 -0.02 0.00 0.77 0.00 0.00 58.65 59.40 2kjc h GLN 93 Cb 0.02 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.71 2kjc h GLN 93 CO 0.00 0.32 -0.24 0.00 -1.93 0.00 0.00 178.83 176.98 2kjc h ALA 94 N 1.41 -0.73 0.00 3.38 0.00 -0.47 -2.18 119.26 120.66 2kjc h ALA 94 Ca -0.15 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.61 2kjc h ALA 94 Cb 1.59 0.26 -0.00 0.00 0.00 0.00 0.00 17.79 19.63 2kjc h ALA 94 CO 0.05 -0.69 -0.02 -0.84 0.00 0.00 0.00 179.25 177.75 2kjc h ILE 95 N -1.05 0.26 -0.30 0.00 3.07 -1.74 -1.42 117.51 116.33 2kjc h ILE 95 Ca -0.07 -0.16 -0.14 0.00 1.55 0.00 0.00 64.86 66.04 2kjc h ILE 95 Cb 0.51 1.12 -0.00 0.00 -0.27 0.00 0.00 36.82 38.18 2kjc h ILE 95 CO 0.11 0.02 -0.37 -0.74 -1.05 0.00 0.00 178.15 176.13 2kjc h HIS 96 N 0.00 0.94 0.00 0.16 2.76 -1.54 -2.63 115.15 114.85 2kjc h HIS 96 Ca -0.00 -0.30 0.00 0.00 -2.20 0.00 0.00 60.37 57.87 2kjc h HIS 96 Cb 0.12 -0.19 0.00 0.00 1.55 0.00 0.00 27.41 28.89 2kjc h HIS 96 CO 0.00 1.08 0.00 1.58 -1.30 0.00 0.00 177.93 179.29 2kjc n HIS 97 N -4.17 0.00 -0.27 5.26 -0.00 -0.56 -3.18 115.22 112.30 2kjc n HIS 97 Ca -0.04 0.00 -0.06 0.00 -0.00 0.00 0.00 57.72 57.62 2kjc n HIS 97 Cb 0.52 -0.31 0.05 0.00 -0.00 0.00 0.00 29.99 30.26 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 2.91 0.97 -2.61 1.57 0.00 -1.18 -3.44 119.26 117.48 2kjc h ALA 98 Ca 0.00 -0.20 -0.11 0.00 0.00 0.00 0.00 54.91 54.60 2kjc h ALA 98 Cb 0.20 -0.29 -0.26 0.00 0.00 0.00 0.00 17.79 17.45 2kjc h ALA 98 CO 0.00 0.62 -0.26 0.54 0.00 0.00 0.00 179.25 180.15 2kjc s ASN 99 N -6.33 -0.54 -0.37 0.00 2.20 -1.19 -5.07 114.94 103.65 2kjc s ASN 99 Ca -0.12 0.93 0.04 0.00 -0.94 0.00 0.00 52.86 52.77 2kjc s ASN 99 Cb 0.15 0.84 0.32 0.00 -2.00 0.00 0.00 41.25 40.56 2kjc s ASN 99 CO 0.83 -0.19 1.30 0.00 -2.94 0.00 0.00 177.10 176.11 2kjc n HIS 100 N 3.99 -1.20 -2.59 1.54 1.44 -1.26 -4.92 115.22 112.21 2kjc n HIS 100 Ca -0.21 -1.15 -0.34 0.00 -2.01 0.00 0.00 57.72 54.01 2kjc n HIS 100 Cb 0.56 1.31 -0.04 0.00 0.12 0.00 0.00 29.99 31.94 2kjc n HIS 100 CO 0.00 0.00 0.00 -1.25 -2.81 0.00 0.00 176.34 172.28 2kjc s PRO 101 N 0.13 3.88 -0.63 -1.40 0.04 -1.26 -4.33 135.00 131.42 2kjc s PRO 101 Ca 0.21 1.32 -0.06 0.00 0.04 0.00 0.00 61.00 62.51 2kjc s PRO 101 Cb 0.29 -2.11 0.01 0.00 0.04 0.00 0.00 34.50 32.73 2kjc s PRO 101 CO -0.15 -0.36 0.66 1.17 0.04 0.00 0.00 177.00 178.36 2kjc n LYS 102 N -0.90 -1.70 0.00 4.56 4.81 -1.26 -5.32 118.16 118.35 2kjc n LYS 102 Ca 0.09 1.69 0.00 0.00 -0.87 0.00 0.00 58.31 59.22 2kjc n LYS 102 Cb 0.53 -5.57 0.00 0.00 0.02 0.00 0.00 35.03 30.01 2kjc n LYS 102 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96