#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 0.20 0.00 -0.44 1.35 -2.05 -3.25 112.91 108.72 2kjc h THR 10 Ca 0.00 -1.31 -0.11 0.00 -0.55 0.00 0.00 66.41 64.44 2kjc h THR 10 Cb 0.00 1.96 -0.02 0.00 -1.73 0.00 0.00 68.15 68.36 2kjc h THR 10 CO 0.00 0.11 -0.62 0.44 -0.25 0.00 0.00 175.52 175.20 2kjc h ASP 11 N 0.00 0.00 0.50 5.36 3.32 -2.05 -3.12 116.42 120.43 2kjc h ASP 11 Ca -0.01 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.01 2kjc h ASP 11 Cb 1.12 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.67 2kjc h ASP 11 CO 0.02 0.52 -0.24 0.71 -1.72 0.00 0.00 179.24 178.52 2kjc h THR 12 N 0.00 0.00 -0.74 0.35 1.35 -1.98 -1.21 112.91 110.68 2kjc h THR 12 Ca -0.02 -0.40 0.18 0.00 -0.55 0.00 0.00 66.41 65.62 2kjc h THR 12 Cb 1.42 0.00 -0.04 0.00 -1.73 0.00 0.00 68.15 67.79 2kjc h THR 12 CO 0.06 0.00 0.51 0.25 -0.25 0.00 0.00 175.52 176.09 2kjc h LEU 13 N -1.07 0.20 -1.07 3.87 7.12 -1.70 1.39 115.31 124.05 2kjc h LEU 13 Ca -0.07 0.02 -0.06 0.00 0.13 0.00 0.00 57.88 57.90 2kjc h LEU 13 Cb 0.52 -0.02 -0.01 0.00 -0.53 0.00 0.00 40.66 40.61 2kjc h LEU 13 CO 0.11 0.10 -0.29 -0.33 -0.13 0.00 0.00 178.44 177.90 2kjc h GLU 14 N 0.21 0.00 0.05 1.25 5.08 -1.49 -1.05 114.58 118.63 2kjc h GLU 14 Ca 0.36 0.00 -0.32 0.00 -1.00 0.00 0.00 59.36 58.40 2kjc h GLU 14 Cb 1.12 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.33 2kjc h GLU 14 CO -0.07 0.29 -1.82 -2.13 -1.00 0.00 0.00 179.01 174.27 2kjc n ARG 15 N -3.47 0.68 0.17 2.33 0.63 0.40 -3.94 116.66 113.46 2kjc n ARG 15 Ca -0.00 0.28 0.06 0.00 -0.92 0.00 0.00 57.85 57.27 2kjc n ARG 15 Cb 0.46 -1.76 0.10 0.00 0.45 0.00 0.00 32.46 31.71 2kjc n ARG 15 CO 0.00 0.00 0.00 0.28 -2.51 0.00 0.00 177.63 175.40 2kjc h VAL 16 N 0.03 0.61 0.00 5.15 2.07 0.73 -3.25 116.25 121.58 2kjc h VAL 16 Ca -0.34 -1.80 -0.18 0.00 0.82 0.00 0.00 66.70 65.20 2kjc h VAL 16 Cb 2.02 2.26 -0.03 0.00 -1.52 0.00 0.00 31.29 34.02 2kjc h VAL 16 CO 0.08 0.34 -0.85 0.00 0.02 0.00 0.00 177.57 177.16 2kjc h THR 17 N 0.00 1.58 0.00 2.57 1.03 -1.35 -3.18 112.91 113.56 2kjc h THR 17 Ca -0.00 -2.94 0.00 0.00 -0.01 0.00 0.00 66.41 63.45 2kjc h THR 17 Cb 1.23 2.60 0.00 0.00 -1.07 0.00 0.00 68.15 70.91 2kjc h THR 17 CO 0.04 0.83 0.00 1.05 -0.01 0.00 0.00 175.52 177.44 2kjc h GLU 18 N 0.00 0.00 0.08 0.00 4.11 -1.68 -3.22 114.58 113.88 2kjc h GLU 18 Ca -0.01 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.42 2kjc h GLU 18 Cb 1.53 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.78 2kjc h GLU 18 CO 0.11 0.00 -0.05 0.82 0.07 0.00 0.00 179.01 179.96 2kjc h ILE 19 N 0.00 0.88 0.78 -1.06 2.04 -1.61 -0.74 117.51 117.80 2kjc h ILE 19 Ca 0.00 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.82 2kjc h ILE 19 Cb 0.78 0.88 0.01 0.00 -0.74 0.00 0.00 36.82 37.75 2kjc h ILE 19 CO 0.00 0.00 -0.37 -0.26 0.00 0.00 0.00 178.15 177.52 2kjc h PHE 20 N -0.14 -0.97 -1.23 1.37 0.04 -1.72 -2.84 116.94 111.45 2kjc h PHE 20 Ca -0.01 -0.02 0.36 0.00 2.80 0.00 0.00 57.97 61.10 2kjc h PHE 20 Cb 0.12 0.32 -0.05 0.00 2.20 0.00 0.00 35.95 38.54 2kjc h PHE 20 CO -0.09 -0.59 0.88 0.87 -0.60 0.00 0.00 178.31 178.78 2kjc h LYS 21 N -1.25 0.02 0.00 1.51 1.57 -1.57 1.04 116.57 117.89 2kjc h LYS 21 Ca -0.11 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.67 2kjc h LYS 21 Cb 0.81 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.11 2kjc h LYS 21 CO 0.18 0.02 0.00 0.00 -0.57 0.00 0.00 179.45 179.07 2kjc n ALA 22 N -2.76 2.18 0.74 3.86 0.00 -0.29 -1.79 120.51 122.45 2kjc n ALA 22 Ca 0.27 -0.05 0.08 0.00 0.00 0.00 0.00 53.44 53.74 2kjc n ALA 22 Cb 1.28 -1.13 -0.05 0.00 0.00 0.00 0.00 19.45 19.55 2kjc n ALA 22 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2kjc n LEU 23 N -0.70 1.14 0.00 0.00 4.77 0.36 -4.99 117.00 117.58 2kjc n LEU 23 Ca 0.06 -0.62 0.00 0.00 -0.03 0.00 0.00 56.01 55.43 2kjc n LEU 23 Cb 0.03 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.12 2kjc n LEU 23 CO 0.05 0.24 0.00 0.61 -1.33 0.00 0.00 177.39 176.96 2kjc n GLY 24 N 1.29 -2.61 2.58 -0.72 0.00 -0.74 -4.62 105.19 100.36 2kjc n GLY 24 Ca 0.05 -0.88 -0.03 0.00 0.00 0.00 0.00 46.02 45.16 2kjc n GLY 24 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2kjc n ASP 25 N -0.84 -3.73 -0.20 1.61 2.03 -1.26 -4.53 116.55 109.64 2kjc n ASP 25 Ca 0.00 1.31 0.00 0.00 0.52 0.00 0.00 54.79 56.63 2kjc n ASP 25 Cb 0.00 -5.06 0.10 0.00 -0.72 0.00 0.00 41.12 35.43 2kjc n ASP 25 CO 0.00 0.00 0.00 1.88 -1.92 0.00 0.00 177.20 177.16 2kjc h TYR 26 N 3.41 -0.02 -1.17 -0.67 0.05 -2.01 0.64 116.97 117.19 2kjc h TYR 26 Ca -0.30 0.04 0.33 0.00 0.05 0.00 0.00 58.73 58.86 2kjc h TYR 26 Cb 0.67 0.10 -0.08 0.00 1.01 0.00 0.00 36.73 38.42 2kjc h TYR 26 CO 0.00 -0.15 0.79 -0.97 -1.05 0.00 0.00 178.16 176.79 2kjc h ASN 27 N 0.13 0.25 0.17 3.88 -1.24 -1.97 0.23 115.58 117.02 2kjc h ASN 27 Ca 0.31 0.06 -0.29 0.00 0.71 0.00 0.00 56.30 57.10 2kjc h ASN 27 Cb 0.50 0.03 0.02 0.00 0.73 0.00 0.00 38.32 39.60 2kjc h ASN 27 CO -0.50 0.01 -1.18 -0.09 -1.29 0.00 0.00 177.43 174.37 2kjc h ARG 28 N 0.20 0.59 -0.88 6.67 2.43 -1.13 -3.15 114.38 119.11 2kjc h ARG 28 Ca 0.64 -0.75 0.06 0.00 -0.81 0.00 0.00 59.98 59.12 2kjc h ARG 28 Cb 2.03 0.24 -0.06 0.00 -0.42 0.00 0.00 29.97 31.76 2kjc h ARG 28 CO -0.21 1.33 0.55 0.82 -1.51 0.00 0.00 179.97 180.94 2kjc h ILE 29 N 0.28 1.04 -0.04 1.20 2.04 -0.27 0.88 117.51 122.63 2kjc h ILE 29 Ca -0.16 -0.34 -0.10 0.00 1.00 0.00 0.00 64.86 65.26 2kjc h ILE 29 Cb 1.85 -0.04 -0.01 0.00 -0.74 0.00 0.00 36.82 37.88 2kjc h ILE 29 CO 0.22 0.18 -0.42 0.03 0.00 0.00 0.00 178.15 178.17 2kjc h ARG 30 N 0.99 0.09 0.00 2.37 3.08 -1.53 -1.79 114.38 117.59 2kjc h ARG 30 Ca 0.38 -0.04 -0.00 0.00 0.07 0.00 0.00 59.98 60.39 2kjc h ARG 30 Cb 0.18 -0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.23 2kjc h ARG 30 CO -0.18 0.50 -0.01 0.82 -1.07 0.00 0.00 179.97 180.03 2kjc h ILE 31 N 0.08 0.02 -0.07 2.04 2.04 -1.08 -2.94 117.51 117.59 2kjc h ILE 31 Ca 0.00 -0.79 -0.21 0.00 1.00 0.00 0.00 64.86 64.86 2kjc h ILE 31 Cb 0.77 1.78 0.00 0.00 -0.74 0.00 0.00 36.82 38.63 2kjc h ILE 31 CO 0.06 0.01 -0.82 -0.03 0.00 0.00 0.00 178.15 177.36 2kjc h MET 32 N 0.00 0.53 -0.24 2.37 4.05 -0.03 -2.99 114.93 118.62 2kjc h MET 32 Ca -0.00 -0.47 -0.01 0.00 -0.28 0.00 0.00 59.70 58.94 2kjc h MET 32 Cb 0.78 0.11 -0.01 0.00 -0.80 0.00 0.00 31.60 31.68 2kjc h MET 32 CO 0.00 1.11 0.12 0.93 0.23 0.00 0.00 176.91 179.30 2kjc h GLU 33 N 0.34 0.33 -0.52 0.39 5.08 -1.30 -1.79 114.58 117.11 2kjc h GLU 33 Ca -0.06 -0.03 -0.07 0.00 -1.00 0.00 0.00 59.36 58.21 2kjc h GLU 33 Cb 1.43 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 30.59 2kjc h GLU 33 CO 0.15 0.25 0.07 1.25 -1.00 0.00 0.00 179.01 179.73 2kjc h LEU 34 N 0.33 0.84 0.00 1.33 5.85 -1.52 -2.03 115.31 120.12 2kjc h LEU 34 Ca 0.09 -0.27 0.00 0.00 0.84 0.00 0.00 57.88 58.54 2kjc h LEU 34 Cb 0.03 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 40.83 2kjc h LEU 34 CO -0.01 0.90 0.00 0.18 -0.34 0.00 0.00 178.44 179.17 2kjc n LEU 35 N -4.37 0.00 -0.05 2.25 4.77 -0.73 -2.39 117.00 116.47 2kjc n LEU 35 Ca 0.02 0.32 -0.12 0.00 -0.03 0.00 0.00 56.01 56.19 2kjc n LEU 35 Cb 0.27 -0.32 -0.11 0.00 -2.33 0.00 0.00 43.42 40.93 2kjc n LEU 35 CO 0.41 -0.07 0.38 -1.28 -1.33 0.00 0.00 177.39 175.50 2kjc h SER 36 N 0.00 -0.01 0.75 -1.43 0.87 -0.75 -3.36 113.55 109.62 2kjc h SER 36 Ca 0.00 -0.81 -0.21 0.00 -1.23 0.00 0.00 61.79 59.55 2kjc h SER 36 Cb 0.25 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.19 2kjc h SER 36 CO 0.00 0.86 -0.95 1.62 -0.53 0.00 0.00 176.83 177.83 2kjc h VAL 37 N -0.94 1.57 -1.39 2.23 3.04 -1.56 -3.47 116.25 115.73 2kjc h VAL 37 Ca -0.00 -2.93 0.11 0.00 -1.01 0.00 0.00 66.70 62.87 2kjc h VAL 37 Cb 0.82 2.65 -0.29 0.00 -2.01 0.00 0.00 31.29 32.46 2kjc h VAL 37 CO 0.00 0.85 0.62 -0.94 -1.01 0.00 0.00 177.57 177.09 2kjc s SER 38 N -6.87 -0.29 1.13 3.17 1.04 -1.01 -5.16 113.70 105.71 2kjc s SER 38 Ca -0.01 0.56 -0.17 0.00 0.48 0.00 0.00 55.95 56.81 2kjc s SER 38 Cb 0.10 0.57 0.19 0.00 0.10 0.00 0.00 66.02 66.98 2kjc s SER 38 CO 0.83 -0.10 0.33 -1.84 0.98 0.00 0.00 173.24 173.44 2kjc n GLU 39 N 1.94 -2.51 -3.60 4.02 -0.00 -1.26 -3.72 120.64 115.50 2kjc n GLU 39 Ca -0.11 -0.73 -0.16 0.00 -0.00 0.00 0.00 57.16 56.15 2kjc n GLU 39 Cb 0.56 -1.65 -0.07 0.00 -0.00 0.00 0.00 31.44 30.29 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 -2.14 -1.54 0.68 -1.84 0.00 -1.26 -4.85 121.76 110.80 2kjc s ALA 40 Ca 0.49 1.27 0.00 0.00 0.00 0.00 0.00 51.96 53.72 2kjc s ALA 40 Cb -0.10 -0.27 0.00 0.00 0.00 0.00 0.00 23.12 22.75 2kjc s ALA 40 CO 0.49 -0.33 0.00 0.45 0.00 0.00 0.00 175.76 176.37 2kjc n SER 41 N 1.48 0.00 0.16 0.00 2.88 -1.26 -4.43 113.62 112.45 2kjc n SER 41 Ca -0.18 -0.95 -0.07 0.00 -1.33 0.00 0.00 58.87 56.34 2kjc n SER 41 Cb 0.56 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.99 2kjc n SER 41 CO 0.00 0.00 0.00 0.58 -1.23 0.00 0.00 175.04 174.39 2kjc h VAL 42 N -0.65 0.00 -0.78 2.46 2.07 -2.00 -3.30 116.25 114.04 2kjc h VAL 42 Ca 0.00 -0.33 -0.00 0.00 0.82 0.00 0.00 66.70 67.19 2kjc h VAL 42 Cb 0.00 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 29.73 2kjc h VAL 42 CO 0.00 0.00 0.47 1.23 0.02 0.00 0.00 177.57 179.29 2kjc h GLY 43 N -0.77 1.13 -0.30 2.17 0.00 -1.96 -2.46 103.07 100.87 2kjc h GLY 43 Ca -0.04 -0.46 0.32 0.00 0.00 0.00 0.00 47.33 47.14 2kjc h GLY 43 CO 0.07 0.45 0.78 0.84 0.00 0.00 0.00 176.54 178.68 2kjc h HIS 44 N 1.07 0.27 -0.45 5.60 6.17 -1.96 0.21 115.15 126.06 2kjc h HIS 44 Ca 0.28 0.01 -0.10 0.00 0.71 0.00 0.00 60.37 61.27 2kjc h HIS 44 Cb -0.05 -0.08 -0.01 0.00 2.52 0.00 0.00 27.41 29.79 2kjc h HIS 44 CO 0.00 0.01 -0.11 0.82 0.71 0.00 0.00 177.93 179.37 2kjc h ILE 45 N 0.15 1.27 0.00 6.26 2.04 -1.52 -2.90 117.51 122.81 2kjc h ILE 45 Ca 0.58 -1.23 0.00 0.00 1.00 0.00 0.00 64.86 65.21 2kjc h ILE 45 Cb 1.98 1.13 0.00 0.00 -0.74 0.00 0.00 36.82 39.19 2kjc h ILE 45 CO -0.13 0.42 0.63 0.77 0.00 0.00 0.00 178.15 179.84 2kjc h SER 46 N 0.71 0.00 0.22 1.72 4.64 -0.70 1.58 113.55 121.72 2kjc h SER 46 Ca 0.11 0.00 -0.20 0.00 -0.47 0.00 0.00 61.79 61.23 2kjc h SER 46 Cb 0.66 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.71 2kjc h SER 46 CO 0.05 0.00 -1.97 1.57 -0.87 0.00 0.00 176.83 175.60 2kjc n HIS 47 N -2.25 0.31 -0.09 4.77 -0.00 -1.10 -4.19 115.22 112.67 2kjc n HIS 47 Ca -0.01 0.10 -0.11 0.00 -0.00 0.00 0.00 57.72 57.71 2kjc n HIS 47 Cb 0.64 -0.89 -0.04 0.00 -0.00 0.00 0.00 29.99 29.71 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 0.49 0.00 1.57 5.75 0.22 -3.46 115.11 119.69 2kjc h GLN 48 Ca -0.27 -0.16 0.00 0.00 -0.15 0.00 0.00 58.65 58.07 2kjc h GLN 48 Cb 1.69 -0.05 0.00 0.00 1.07 0.00 0.00 27.48 30.20 2kjc h GLN 48 CO 0.03 0.64 0.00 -0.11 -2.65 0.00 0.00 178.83 176.74 2kjc n LEU 49 N -4.60 -0.04 -4.69 -2.39 0.00 -1.13 -5.13 117.00 99.02 2kjc n LEU 49 Ca -0.03 0.01 -0.30 0.00 0.00 0.00 0.00 56.01 55.70 2kjc n LEU 49 Cb 0.25 0.37 0.20 0.00 0.00 0.00 0.00 43.42 44.24 2kjc n LEU 49 CO 0.38 -0.32 0.68 0.20 0.00 0.00 0.00 177.39 178.33 2kjc s ASN 50 N -2.00 1.94 -0.13 1.96 -0.87 -1.25 -5.01 114.94 109.58 2kjc s ASN 50 Ca 0.00 0.72 0.15 0.00 -1.57 0.00 0.00 52.86 52.15 2kjc s ASN 50 Cb 0.00 -1.05 0.31 0.00 -0.02 0.00 0.00 41.25 40.49 2kjc s ASN 50 CO 0.00 -3.50 1.19 0.00 -2.57 0.00 0.00 177.10 172.22 2kjc n LEU 51 N -4.35 -0.05 -3.67 0.60 -0.00 -1.26 -3.96 117.00 104.31 2kjc n LEU 51 Ca 0.11 -2.48 -0.10 0.00 -0.00 0.00 0.00 56.01 53.55 2kjc n LEU 51 Cb 0.59 0.12 -0.10 0.00 -0.00 0.00 0.00 43.42 44.02 2kjc n LEU 51 CO 0.49 1.18 0.01 -0.55 -0.00 0.00 0.00 177.39 178.52 2kjc s SER 52 N -1.86 -0.24 0.51 1.45 0.15 -1.26 -5.02 113.70 107.43 2kjc s SER 52 Ca 0.17 0.91 0.30 0.00 0.70 0.00 0.00 55.95 58.03 2kjc s SER 52 Cb 0.27 1.12 1.07 0.00 -1.71 0.00 0.00 66.02 66.78 2kjc s SER 52 CO -0.08 -0.22 1.88 0.06 1.20 0.00 0.00 173.24 176.07 2kjc h GLN 53 N 7.93 0.00 0.02 5.44 3.07 -1.97 -2.93 115.11 126.67 2kjc h GLN 53 Ca -0.21 0.00 -0.20 0.00 0.09 0.00 0.00 58.65 58.33 2kjc h GLN 53 Cb 1.13 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 28.67 2kjc h GLN 53 CO 0.17 0.04 -0.93 0.77 0.09 0.00 0.00 178.83 178.96 2kjc h SER 54 N 0.00 0.14 -0.16 0.06 0.02 -1.99 -2.04 113.55 109.59 2kjc h SER 54 Ca -0.00 -0.13 -0.07 0.00 -0.84 0.00 0.00 61.79 60.75 2kjc h SER 54 Cb 0.66 -0.05 -0.00 0.00 0.14 0.00 0.00 62.40 63.15 2kjc h SER 54 CO 0.01 1.00 -0.15 -1.13 -1.14 0.00 0.00 176.83 175.41 2kjc h ASN 55 N 0.05 0.42 0.10 3.07 -1.24 -1.94 -3.00 115.58 113.03 2kjc h ASN 55 Ca -0.04 -0.47 -0.20 0.00 0.71 0.00 0.00 56.30 56.30 2kjc h ASN 55 Cb 1.61 -0.12 0.00 0.00 0.73 0.00 0.00 38.32 40.54 2kjc h ASN 55 CO 0.13 0.80 -0.77 -0.37 -1.29 0.00 0.00 177.43 175.93 2kjc h VAL 56 N 0.04 1.34 -0.94 2.57 -1.51 -1.63 -3.10 116.25 113.01 2kjc h VAL 56 Ca 0.03 -2.10 0.15 0.00 -1.23 0.00 0.00 66.70 63.55 2kjc h VAL 56 Cb 0.68 2.09 -0.08 0.00 -2.13 0.00 0.00 31.29 31.85 2kjc h VAL 56 CO 0.04 0.64 0.60 -1.28 -1.23 0.00 0.00 177.57 176.34 2kjc h SER 57 N 0.38 0.72 0.13 4.19 0.87 -1.40 -1.27 113.55 117.18 2kjc h SER 57 Ca -0.05 0.05 -0.01 0.00 -1.23 0.00 0.00 61.79 60.56 2kjc h SER 57 Cb 1.38 -0.09 0.00 0.00 -0.44 0.00 0.00 62.40 63.25 2kjc h SER 57 CO 0.14 0.34 -0.06 0.45 -0.53 0.00 0.00 176.83 177.17 2kjc h HIS 58 N 0.75 -0.17 -0.31 2.24 -0.00 -1.46 -3.20 115.15 113.01 2kjc h HIS 58 Ca 0.49 -0.00 0.07 0.00 -0.00 0.00 0.00 60.37 60.92 2kjc h HIS 58 Cb 0.74 0.06 -0.08 0.00 -0.00 0.00 0.00 27.41 28.13 2kjc h HIS 58 CO -0.00 0.12 -0.23 1.96 -0.00 0.00 0.00 177.93 179.77 2kjc h GLN 59 N -0.45 -0.20 -0.83 2.45 4.20 -1.21 0.15 115.11 119.22 2kjc h GLN 59 Ca -0.02 0.01 0.24 0.00 0.06 0.00 0.00 58.65 58.95 2kjc h GLN 59 Cb 0.36 0.04 -0.03 0.00 0.30 0.00 0.00 27.48 28.15 2kjc h GLN 59 CO 0.03 -0.13 0.72 -0.07 -0.67 0.00 0.00 178.83 178.71 2kjc h LEU 60 N -0.20 0.00 -0.34 1.46 4.07 -1.34 0.31 115.31 119.26 2kjc h LEU 60 Ca 0.16 0.00 -0.11 0.00 0.08 0.00 0.00 57.88 58.01 2kjc h LEU 60 Cb 0.45 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.18 2kjc h LEU 60 CO -0.43 0.00 -0.21 0.50 -1.08 0.00 0.00 178.44 177.22 2kjc h LYS 61 N 0.00 0.75 0.00 1.13 3.64 -0.69 -2.84 116.57 118.56 2kjc h LYS 61 Ca 0.40 -0.35 -0.01 0.00 -1.27 0.00 0.00 60.65 59.42 2kjc h LYS 61 Cb 1.84 -0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 33.64 2kjc h LYS 61 CO -0.00 0.96 -0.06 -0.07 -2.27 0.00 0.00 179.45 178.01 2kjc h LEU 62 N 0.53 0.00 -0.35 5.20 4.07 -0.31 -2.03 115.31 122.41 2kjc h LEU 62 Ca 0.07 0.00 -0.18 0.00 0.08 0.00 0.00 57.88 57.85 2kjc h LEU 62 Cb 0.76 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.49 2kjc h LEU 62 CO 0.06 0.06 -0.83 -0.07 -1.08 0.00 0.00 178.44 176.58 2kjc h LEU 63 N 0.00 0.19 -1.20 1.67 3.38 -1.33 -3.21 115.31 114.81 2kjc h LEU 63 Ca -0.00 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 57.83 2kjc h LEU 63 Cb 0.11 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 40.76 2kjc h LEU 63 CO 0.01 0.93 0.49 0.11 0.09 0.00 0.00 178.44 180.07 2kjc h LYS 64 N 0.08 1.02 0.75 1.13 1.57 -1.14 -1.42 116.57 118.56 2kjc h LYS 64 Ca -0.03 -0.07 -0.04 0.00 -1.87 0.00 0.00 60.65 58.64 2kjc h LYS 64 Cb 1.44 -0.22 0.00 0.00 0.08 0.00 0.00 32.23 33.53 2kjc h LYS 64 CO 0.12 0.70 -0.38 1.03 -0.57 0.00 0.00 179.45 180.35 2kjc h SER 65 N 1.05 -0.91 0.00 0.86 0.87 -1.55 -1.69 113.55 112.19 2kjc h SER 65 Ca 0.28 0.04 0.00 0.00 -1.23 0.00 0.00 61.79 60.88 2kjc h SER 65 Cb -0.08 0.24 0.00 0.00 -0.44 0.00 0.00 62.40 62.12 2kjc h SER 65 CO -0.06 -0.63 0.00 1.33 -0.53 0.00 0.00 176.83 176.94 2kjc n VAL 66 N -5.54 0.00 -1.11 2.23 0.24 -1.12 -4.80 118.33 108.23 2kjc n VAL 66 Ca -0.14 0.00 -0.06 0.00 -2.04 0.00 0.00 64.34 62.09 2kjc n VAL 66 Cb 0.42 -0.33 -0.03 0.00 -1.47 0.00 0.00 33.84 32.43 2kjc n VAL 66 CO 0.00 0.00 0.00 1.41 -2.14 0.00 0.00 176.83 176.10 2kjc n HIS 67 N -0.67 -0.59 0.20 6.34 -0.00 -0.57 -4.69 115.22 115.25 2kjc n HIS 67 Ca 0.05 0.00 0.12 0.00 -0.00 0.00 0.00 57.72 57.89 2kjc n HIS 67 Cb 0.02 -1.75 0.65 0.00 -0.00 0.00 0.00 29.99 28.91 2kjc n HIS 67 CO 0.00 0.00 0.00 1.25 -0.00 0.00 0.00 176.34 177.59 2kjc h LEU 68 N 0.00 0.00 -8.51 2.41 5.85 -1.74 -3.43 115.31 109.89 2kjc h LEU 68 Ca -0.13 0.00 -0.25 0.00 0.84 0.00 0.00 57.88 58.34 2kjc h LEU 68 Cb 0.45 0.00 -0.09 0.00 0.37 0.00 0.00 40.66 41.39 2kjc h LEU 68 CO 0.19 0.00 -0.25 0.68 -0.34 0.00 0.00 178.44 178.72 2kjc s VAL 69 N -3.62 0.00 -0.14 1.05 -7.23 -1.26 -4.82 120.40 104.38 2kjc s VAL 69 Ca -0.03 -1.64 -0.06 0.00 -1.81 0.00 0.00 61.98 58.44 2kjc s VAL 69 Cb 0.07 -2.55 0.06 0.00 0.56 0.00 0.00 36.38 34.53 2kjc s VAL 69 CO 0.22 0.00 0.31 -0.75 -0.31 0.00 0.00 175.10 174.57 2kjc s LYS 70 N -3.35 0.24 0.26 4.82 2.20 -1.25 -4.82 119.74 117.84 2kjc s LYS 70 Ca 0.31 0.76 0.06 0.00 -0.36 0.00 0.00 55.97 56.73 2kjc s LYS 70 Cb 0.01 0.01 -0.03 0.00 -1.51 0.00 0.00 37.83 36.31 2kjc s LYS 70 CO 0.18 -0.23 0.30 0.00 -0.36 0.00 0.00 175.35 175.25 2kjc s ALA 71 N 1.98 3.81 -0.19 3.13 0.00 -1.26 -3.95 121.76 125.28 2kjc s ALA 71 Ca -0.04 -1.35 -0.05 0.00 0.00 0.00 0.00 51.96 50.52 2kjc s ALA 71 Cb -0.11 -1.52 0.10 0.00 0.00 0.00 0.00 23.12 21.59 2kjc s ALA 71 CO -0.10 0.21 0.33 0.21 0.00 0.00 0.00 175.76 176.41 2kjc s LYS 72 N -3.94 0.26 0.60 0.00 2.20 -1.18 -5.04 119.74 112.64 2kjc s LYS 72 Ca 0.35 0.67 -0.20 0.00 -0.36 0.00 0.00 55.97 56.43 2kjc s LYS 72 Cb -0.08 -0.26 -0.03 0.00 -1.51 0.00 0.00 37.83 35.95 2kjc s LYS 72 CO 0.27 -0.45 1.32 -0.98 -0.36 0.00 0.00 175.35 175.16 2kjc s ARG 73 N 2.49 2.81 -0.47 4.03 1.70 -1.26 -4.23 118.95 124.03 2kjc s ARG 73 Ca 0.05 2.13 0.06 0.00 -0.47 0.00 0.00 55.73 57.50 2kjc s ARG 73 Cb -0.14 -2.02 0.18 0.00 -0.57 0.00 0.00 34.95 32.40 2kjc s ARG 73 CO -0.12 -1.41 0.58 -1.14 -1.08 0.00 0.00 175.30 172.13 2kjc s GLN 74 N -3.18 0.97 0.65 3.89 0.74 -1.11 -4.95 119.66 116.66 2kjc s GLN 74 Ca 0.78 -1.26 0.00 0.00 0.05 0.00 0.00 55.36 54.93 2kjc s GLN 74 Cb -0.38 -0.47 0.00 0.00 1.10 0.00 0.00 33.01 33.26 2kjc s GLN 74 CO 0.43 -1.32 0.00 0.41 -0.55 0.00 0.00 175.29 174.26 2kjc n GLY 75 N 3.17 -1.95 0.25 2.59 0.00 -1.26 -4.05 105.19 103.95 2kjc n GLY 75 Ca 0.20 -1.65 0.14 0.00 0.00 0.00 0.00 46.02 44.70 2kjc n GLY 75 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 2kjc h GLN 76 N 0.00 0.00 -5.77 1.61 4.20 -2.05 -3.40 115.11 109.70 2kjc h GLN 76 Ca 0.00 0.00 -0.65 0.00 0.06 0.00 0.00 58.65 58.06 2kjc h GLN 76 Cb 0.00 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 27.72 2kjc h GLN 76 CO 0.00 0.00 -0.42 -1.12 -0.67 0.00 0.00 178.83 176.62 2kjc s SER 77 N -4.24 6.48 -0.79 1.46 0.01 -1.26 -5.06 113.70 110.30 2kjc s SER 77 Ca -0.03 0.56 -0.07 0.00 1.31 0.00 0.00 55.95 57.72 2kjc s SER 77 Cb 0.08 -2.10 0.20 0.00 0.21 0.00 0.00 66.02 64.41 2kjc s SER 77 CO 0.25 0.35 0.68 0.00 0.41 0.00 0.00 173.24 174.93 2kjc s MET 78 N -1.27 3.20 0.40 12.44 0.23 -1.26 -2.75 119.30 130.29 2kjc s MET 78 Ca 0.20 -2.75 -0.02 0.00 -1.03 0.00 0.00 55.69 52.09 2kjc s MET 78 Cb -0.13 -4.07 -0.04 0.00 -1.53 0.00 0.00 34.83 29.06 2kjc s MET 78 CO 0.09 -1.24 0.65 0.96 -2.03 0.00 0.00 175.02 173.46 2kjc s ILE 79 N -0.41 5.02 0.09 3.16 -4.36 -1.26 -4.68 121.20 118.76 2kjc s ILE 79 Ca 0.21 -0.16 0.00 0.00 -0.26 0.00 0.00 60.65 60.45 2kjc s ILE 79 Cb -0.13 -3.86 -0.00 0.00 1.25 0.00 0.00 42.46 39.72 2kjc s ILE 79 CO -0.07 -0.68 0.11 0.00 0.24 0.00 0.00 174.94 174.54 2kjc n TYR 80 N -1.96 -0.57 -2.48 1.37 4.11 -1.26 -3.10 117.16 113.27 2kjc n TYR 80 Ca -0.02 -0.64 0.00 0.00 -0.00 0.00 0.00 57.90 57.23 2kjc n TYR 80 Cb 0.56 0.13 0.00 0.00 -0.00 0.00 0.00 39.34 40.02 2kjc n TYR 80 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.86 177.29 2kjc n SER 81 N -2.17 0.00 -3.41 9.48 7.64 -1.25 -4.35 113.62 119.56 2kjc n SER 81 Ca 0.01 -0.08 0.00 0.00 1.01 0.00 0.00 58.87 59.81 2kjc n SER 81 Cb 0.15 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.35 2kjc n SER 81 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2kjc n LEU 82 N 0.00 0.00 0.00 -3.43 4.77 -1.26 -4.24 117.00 112.84 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 0.00 0.00 -0.67 -1.33 0.00 0.00 177.39 175.39 2kjc n ASP 83 N 0.00 0.00 -3.67 -1.43 2.03 -1.26 -3.81 116.55 108.41 2kjc n ASP 83 Ca 0.00 0.00 -0.01 0.00 0.52 0.00 0.00 54.79 55.30 2kjc n ASP 83 Cb 0.00 0.00 -0.01 0.00 -0.72 0.00 0.00 41.12 40.39 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 -0.13 0.00 1.67 2.15 -1.26 -5.00 116.67 114.10 2kjc s ASP 84 Ca 0.00 -0.24 0.26 0.00 0.43 0.00 0.00 52.55 53.01 2kjc s ASP 84 Cb 0.00 0.31 1.57 0.00 -0.30 0.00 0.00 42.92 44.50 2kjc s ASP 84 CO 0.00 -0.57 1.94 2.30 -0.17 0.00 0.00 175.17 178.68 2kjc n ILE 85 N -0.45 0.00 0.06 4.11 -5.35 -1.26 -3.05 119.36 113.43 2kjc n ILE 85 Ca -0.07 0.00 -0.07 0.00 -0.27 0.00 0.00 62.75 62.34 2kjc n ILE 85 Cb 0.62 -0.53 -0.11 0.00 -1.74 0.00 0.00 39.64 37.87 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 0.00 0.03 -0.36 4.28 3.86 -2.00 -3.29 115.15 117.66 2kjc h HIS 86 Ca 0.00 -0.02 -0.07 0.00 -1.16 0.00 0.00 60.37 59.12 2kjc h HIS 86 Cb 0.00 -0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.46 2kjc h HIS 86 CO 0.00 1.00 -0.05 0.28 0.86 0.00 0.00 177.93 180.02 2kjc h VAL 87 N 0.00 1.27 -0.96 2.45 2.07 -1.96 -0.88 116.25 118.25 2kjc h VAL 87 Ca -0.02 -1.09 0.03 0.00 0.82 0.00 0.00 66.70 66.44 2kjc h VAL 87 Cb 1.76 1.24 -0.05 0.00 -1.52 0.00 0.00 31.29 32.71 2kjc h VAL 87 CO 0.13 0.36 0.63 0.00 0.02 0.00 0.00 177.57 178.71 2kjc h ALA 88 N 0.84 1.36 -0.00 1.67 0.00 -1.75 -2.77 119.26 118.61 2kjc h ALA 88 Ca 0.10 -0.05 -0.09 0.00 0.00 0.00 0.00 54.91 54.87 2kjc h ALA 88 Cb 0.54 -0.36 0.01 0.00 0.00 0.00 0.00 17.79 17.98 2kjc h ALA 88 CO 0.03 0.56 -0.34 1.79 0.00 0.00 0.00 179.25 181.29 2kjc h THR 89 N 1.24 1.52 -0.55 0.00 1.35 -1.60 -3.08 112.91 111.78 2kjc h THR 89 Ca 0.37 -1.98 0.10 0.00 -0.55 0.00 0.00 66.41 64.35 2kjc h THR 89 Cb -0.04 2.72 -0.11 0.00 -1.73 0.00 0.00 68.15 68.99 2kjc h THR 89 CO -0.10 0.55 -0.34 -0.03 -0.25 0.00 0.00 175.52 175.35 2kjc h MET 90 N -0.40 -0.18 -0.35 4.72 4.05 -0.99 0.34 114.93 122.12 2kjc h MET 90 Ca -0.04 0.01 -0.01 0.00 -0.28 0.00 0.00 59.70 59.38 2kjc h MET 90 Cb 1.08 0.04 -0.02 0.00 -0.80 0.00 0.00 31.60 31.90 2kjc h MET 90 CO 0.07 -0.12 0.19 1.25 0.23 0.00 0.00 176.91 178.52 2kjc h LEU 91 N -0.18 0.45 0.66 3.39 5.85 -1.61 -2.98 115.31 120.88 2kjc h LEU 91 Ca 0.22 -0.10 -0.03 0.00 0.84 0.00 0.00 57.88 58.80 2kjc h LEU 91 Cb 0.55 -0.11 0.01 0.00 0.37 0.00 0.00 40.66 41.47 2kjc h LEU 91 CO -0.65 0.42 -0.32 0.11 -0.34 0.00 0.00 178.44 177.66 2kjc h LYS 92 N 0.44 -0.86 -1.47 1.25 1.79 -1.17 -2.78 116.57 113.78 2kjc h LYS 92 Ca 0.12 0.06 0.43 0.00 -2.18 0.00 0.00 60.65 59.08 2kjc h LYS 92 Cb 0.08 0.19 -0.06 0.00 -1.58 0.00 0.00 32.23 30.86 2kjc h LYS 92 CO -0.02 -0.57 1.21 1.96 -1.08 0.00 0.00 179.45 180.95 2kjc h GLN 93 N -0.94 0.00 0.14 3.15 4.20 -0.42 -1.09 115.11 120.16 2kjc h GLN 93 Ca -0.09 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.61 2kjc h GLN 93 Cb 0.68 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.46 2kjc h GLN 93 CO 0.15 0.00 -0.07 0.00 -0.67 0.00 0.00 178.83 178.24 2kjc h ALA 94 N 0.96 -0.46 0.00 3.87 0.00 -1.33 -3.13 119.26 119.18 2kjc h ALA 94 Ca 0.70 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.57 2kjc h ALA 94 Cb 3.10 0.07 0.00 0.00 0.00 0.00 0.00 17.79 20.97 2kjc h ALA 94 CO -0.01 -0.44 0.31 -0.89 0.00 0.00 0.00 179.25 178.22 2kjc n ILE 95 N -3.07 0.71 0.10 0.00 2.08 -0.48 -1.20 119.36 117.50 2kjc n ILE 95 Ca -0.02 0.66 -0.09 0.00 0.56 0.00 0.00 62.75 63.86 2kjc n ILE 95 Cb 0.07 -1.66 -0.06 0.00 -0.75 0.00 0.00 39.64 37.24 2kjc n ILE 95 CO 0.00 0.00 0.00 -0.74 0.56 0.00 0.00 176.55 176.37 2kjc h HIS 96 N 0.00 -0.30 0.00 1.39 2.76 -1.33 -3.21 115.15 114.46 2kjc h HIS 96 Ca 0.00 -0.01 -0.00 0.00 -2.20 0.00 0.00 60.37 58.16 2kjc h HIS 96 Cb 0.62 0.10 -0.00 0.00 1.55 0.00 0.00 27.41 29.68 2kjc h HIS 96 CO 0.00 0.01 -0.01 1.25 -1.30 0.00 0.00 177.93 177.88 2kjc h HIS 97 N -0.99 0.00 -0.84 5.26 -0.00 -1.14 0.34 115.15 117.79 2kjc h HIS 97 Ca -0.03 0.00 0.15 0.00 -0.00 0.00 0.00 60.37 60.48 2kjc h HIS 97 Cb 0.45 0.00 -0.15 0.00 -0.00 0.00 0.00 27.41 27.71 2kjc h HIS 97 CO 0.05 0.01 -0.32 0.00 -0.00 0.00 0.00 177.93 177.66 2kjc h ALA 98 N 1.99 0.23 0.00 5.26 0.00 -1.52 -3.36 119.26 121.87 2kjc h ALA 98 Ca -0.00 0.26 0.00 0.00 0.00 0.00 0.00 54.91 55.17 2kjc h ALA 98 Cb 0.05 0.84 0.00 0.00 0.00 0.00 0.00 17.79 18.68 2kjc h ALA 98 CO 0.00 -0.57 -0.01 -1.71 0.00 0.00 0.00 179.25 176.96 2kjc n ASN 99 N -5.49 0.00 -3.51 0.00 2.85 -1.15 -5.06 115.26 102.91 2kjc n ASN 99 Ca 0.09 -1.03 -0.18 0.00 -0.11 0.00 0.00 54.58 53.36 2kjc n ASN 99 Cb 0.40 -0.01 0.00 0.00 1.24 0.00 0.00 39.78 41.42 2kjc n ASN 99 CO 0.00 0.00 0.00 1.41 -2.11 0.00 0.00 177.26 176.56 2kjc n HIS 100 N 0.00 -2.44 -0.87 1.20 8.25 0.12 -4.89 115.22 116.60 2kjc n HIS 100 Ca 0.00 0.98 -0.36 0.00 -0.26 0.00 0.00 57.72 58.07 2kjc n HIS 100 Cb 0.51 -3.15 0.09 0.00 1.12 0.00 0.00 29.99 28.55 2kjc n HIS 100 CO 0.00 0.00 0.00 -2.30 0.64 0.00 0.00 176.34 174.68 2kjc n PRO 101 N -2.08 -0.66 0.19 -0.41 -0.02 -1.26 -4.65 135.00 126.11 2kjc n PRO 101 Ca -0.19 -0.19 0.07 0.00 -2.02 0.00 0.00 63.50 61.18 2kjc n PRO 101 Cb 0.63 -1.28 0.37 0.00 -0.02 0.00 0.00 33.50 33.20 2kjc n PRO 101 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 2kjc h LYS 102 N -1.44 0.00 0.00 -0.52 1.57 -2.01 -3.53 116.57 110.64 2kjc h LYS 102 Ca -0.45 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.33 2kjc h LYS 102 Cb 1.38 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.69 2kjc h LYS 102 CO 0.28 0.00 0.00 0.39 -0.57 0.00 0.00 179.45 179.55