#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 0.77 -0.34 3.41 1.35 -2.06 -3.14 112.91 112.89 2kjc h THR 10 Ca 0.00 -2.23 -0.09 0.00 -0.55 0.00 0.00 66.41 63.55 2kjc h THR 10 Cb 0.00 2.28 -0.02 0.00 -1.73 0.00 0.00 68.15 68.68 2kjc h THR 10 CO 0.00 0.44 -0.15 -0.78 -0.25 0.00 0.00 175.52 174.77 2kjc h ASP 11 N 0.00 0.60 0.00 5.36 1.82 -2.07 -3.09 116.42 119.05 2kjc h ASP 11 Ca -0.08 -0.18 -0.11 0.00 -0.39 0.00 0.00 57.03 56.27 2kjc h ASP 11 Cb 1.52 -0.16 0.01 0.00 0.68 0.00 0.00 39.33 41.38 2kjc h ASP 11 CO 0.06 0.77 -0.43 0.71 -1.61 0.00 0.00 179.24 178.75 2kjc h THR 12 N 0.55 1.50 0.00 2.25 1.35 -2.01 -3.12 112.91 113.42 2kjc h THR 12 Ca 0.09 -2.04 0.00 0.00 -0.55 0.00 0.00 66.41 63.91 2kjc h THR 12 Cb 0.58 2.72 0.00 0.00 -1.73 0.00 0.00 68.15 69.72 2kjc h THR 12 CO 0.04 0.57 0.31 0.25 -0.25 0.00 0.00 175.52 176.44 2kjc h LEU 13 N -0.33 0.00 0.10 3.87 5.85 -1.50 0.32 115.31 123.63 2kjc h LEU 13 Ca -0.05 0.00 -0.24 0.00 0.84 0.00 0.00 57.88 58.42 2kjc h LEU 13 Cb 1.17 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.20 2kjc h LEU 13 CO 0.08 0.00 -1.23 -0.33 -0.34 0.00 0.00 178.44 176.62 2kjc h GLU 14 N 0.00 0.21 -0.03 1.25 5.08 -1.49 -3.38 114.58 116.22 2kjc h GLU 14 Ca 0.00 -0.36 0.00 0.00 -1.00 0.00 0.00 59.36 58.00 2kjc h GLU 14 Cb 0.61 0.14 -0.00 0.00 0.50 0.00 0.00 28.75 29.99 2kjc h GLU 14 CO 0.00 1.17 0.02 0.00 -1.00 0.00 0.00 179.01 179.20 2kjc h ARG 15 N -0.42 0.04 -0.04 2.33 3.08 -0.35 -2.22 114.38 116.80 2kjc h ARG 15 Ca -0.27 -0.00 0.01 0.00 0.07 0.00 0.00 59.98 59.79 2kjc h ARG 15 Cb 1.66 -0.01 -0.00 0.00 0.08 0.00 0.00 29.97 31.70 2kjc h ARG 15 CO 0.04 0.05 0.65 -0.39 -1.07 0.00 0.00 179.97 179.26 2kjc h VAL 16 N 0.02 0.01 0.10 2.04 -1.51 -1.52 0.63 116.25 116.02 2kjc h VAL 16 Ca 0.01 0.00 -0.36 0.00 -1.23 0.00 0.00 66.70 65.12 2kjc h VAL 16 Cb 0.02 0.36 -0.03 0.00 -2.13 0.00 0.00 31.29 29.51 2kjc h VAL 16 CO -0.00 0.00 -2.02 0.35 -1.23 0.00 0.00 177.57 174.66 2kjc n THR 17 N -2.75 1.74 0.26 7.19 -2.24 -0.86 -4.21 114.28 113.41 2kjc n THR 17 Ca -0.00 -0.66 0.14 0.00 -2.27 0.00 0.00 64.05 61.25 2kjc n THR 17 Cb 0.69 -1.63 0.66 0.00 -2.10 0.00 0.00 70.33 67.95 2kjc n THR 17 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 2kjc h GLU 18 N 0.06 0.00 0.00 -0.78 4.81 0.48 -2.78 114.58 116.37 2kjc h GLU 18 Ca -0.43 0.00 -0.13 0.00 -0.13 0.00 0.00 59.36 58.67 2kjc h GLU 18 Cb 2.02 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 31.39 2kjc h GLU 18 CO 0.07 0.11 -0.61 -0.84 -0.73 0.00 0.00 179.01 177.02 2kjc h ILE 19 N 0.00 1.36 0.13 2.32 3.07 -1.49 -2.93 117.51 119.97 2kjc h ILE 19 Ca -0.00 -2.13 -0.01 0.00 1.55 0.00 0.00 64.86 64.27 2kjc h ILE 19 Cb 0.51 2.17 0.00 0.00 -0.27 0.00 0.00 36.82 39.24 2kjc h ILE 19 CO 0.01 0.59 -0.06 -0.26 -1.05 0.00 0.00 178.15 177.39 2kjc h PHE 20 N 0.00 -0.16 -0.38 0.16 0.04 -1.68 -3.28 116.94 111.64 2kjc h PHE 20 Ca -0.01 -0.00 0.11 0.00 2.80 0.00 0.00 57.97 60.87 2kjc h PHE 20 Cb 1.12 0.05 -0.02 0.00 2.20 0.00 0.00 35.95 39.31 2kjc h PHE 20 CO 0.00 -0.10 0.60 0.87 -0.60 0.00 0.00 178.31 179.07 2kjc h LYS 21 N -0.74 0.00 -0.71 1.51 1.57 -1.67 0.36 116.57 116.89 2kjc h LYS 21 Ca -0.02 0.00 0.19 0.00 -1.87 0.00 0.00 60.65 58.95 2kjc h LYS 21 Cb 0.14 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.41 2kjc h LYS 21 CO 0.03 0.00 0.50 0.00 -0.57 0.00 0.00 179.45 179.41 2kjc h ALA 22 N 1.16 2.52 -0.70 3.86 0.00 -1.57 -1.41 119.26 123.12 2kjc h ALA 22 Ca 0.18 -0.02 -0.51 0.00 0.00 0.00 0.00 54.91 54.56 2kjc h ALA 22 Cb 1.37 0.03 -0.39 0.00 0.00 0.00 0.00 17.79 18.80 2kjc h ALA 22 CO -0.00 -0.72 -0.71 1.47 0.00 0.00 0.00 179.25 179.28 2kjc n LEU 23 N -4.37 4.87 0.00 0.00 -0.00 0.11 -4.86 117.00 112.75 2kjc n LEU 23 Ca 0.14 -4.66 0.00 0.00 -0.00 0.00 0.00 56.01 51.49 2kjc n LEU 23 Cb 0.71 -0.39 0.00 0.00 -0.00 0.00 0.00 43.42 43.74 2kjc n LEU 23 CO 0.36 2.02 0.30 0.61 -0.00 0.00 0.00 177.39 180.68 2kjc n GLY 24 N -0.76 -1.74 3.49 1.47 0.00 -0.53 -4.46 105.19 102.66 2kjc n GLY 24 Ca 0.43 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.99 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 -1.65 -0.09 0.03 1.61 9.92 -1.26 -4.79 116.55 120.32 2kjc n ASP 25 Ca 0.00 1.12 0.06 0.00 -0.53 0.00 0.00 54.79 55.44 2kjc n ASP 25 Cb 0.00 -1.12 0.26 0.00 -0.64 0.00 0.00 41.12 39.62 2kjc n ASP 25 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2kjc n TYR 26 N -0.03 0.17 0.02 1.24 4.11 -1.26 -2.61 117.16 118.80 2kjc n TYR 26 Ca 0.13 0.07 -0.21 0.00 -0.00 0.00 0.00 57.90 57.90 2kjc n TYR 26 Cb 0.30 -0.62 -0.14 0.00 -0.00 0.00 0.00 39.34 38.88 2kjc n TYR 26 CO 0.00 0.00 0.00 -0.91 -0.00 0.00 0.00 176.86 175.95 2kjc h ASN 27 N 0.00 0.40 0.49 9.48 2.35 -1.95 -3.10 115.58 123.25 2kjc h ASN 27 Ca 0.00 -0.88 -0.10 0.00 -0.55 0.00 0.00 56.30 54.77 2kjc h ASN 27 Cb 0.17 -0.13 -0.01 0.00 0.05 0.00 0.00 38.32 38.40 2kjc h ASN 27 CO 0.00 1.54 -0.47 0.03 -1.65 0.00 0.00 177.43 176.87 2kjc h ARG 28 N -0.35 0.00 0.00 0.81 -0.00 -1.85 -2.97 114.38 110.02 2kjc h ARG 28 Ca -0.25 0.00 -0.16 0.00 -0.50 0.00 0.00 59.98 59.07 2kjc h ARG 28 Cb 1.70 0.00 -0.02 0.00 0.00 0.00 0.00 29.97 31.65 2kjc h ARG 28 CO 0.08 0.47 -0.76 0.97 0.00 0.00 0.00 179.97 180.73 2kjc h ILE 29 N 0.00 1.32 -0.09 2.04 2.10 -1.66 -3.17 117.51 118.06 2kjc h ILE 29 Ca -0.00 -2.84 -0.14 0.00 1.08 0.00 0.00 64.86 62.96 2kjc h ILE 29 Cb 0.84 2.63 -0.01 0.00 -1.09 0.00 0.00 36.82 39.20 2kjc h ILE 29 CO 0.06 0.75 -0.55 -0.09 -1.08 0.00 0.00 178.15 177.24 2kjc h ARG 30 N 0.00 0.26 0.00 2.19 2.43 -1.44 -1.90 114.38 115.92 2kjc h ARG 30 Ca -0.01 -0.16 -0.15 0.00 -0.81 0.00 0.00 59.98 58.85 2kjc h ARG 30 Cb 1.57 0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 31.12 2kjc h ARG 30 CO 0.10 0.74 -0.72 -0.84 -1.51 0.00 0.00 179.97 177.74 2kjc h ILE 31 N 0.20 1.49 -0.25 1.20 3.07 -1.60 -3.10 117.51 118.52 2kjc h ILE 31 Ca 0.00 -2.49 -0.19 0.00 1.55 0.00 0.00 64.86 63.73 2kjc h ILE 31 Cb 1.03 2.35 0.00 0.00 -0.27 0.00 0.00 36.82 39.94 2kjc h ILE 31 CO 0.09 0.71 -0.59 -0.03 -1.05 0.00 0.00 178.15 177.27 2kjc h MET 32 N 0.00 0.85 -0.59 0.16 4.05 -1.48 -3.07 114.93 114.84 2kjc h MET 32 Ca -0.01 -0.57 0.04 0.00 -0.28 0.00 0.00 59.70 58.88 2kjc h MET 32 Cb 1.29 0.08 -0.03 0.00 -0.80 0.00 0.00 31.60 32.14 2kjc h MET 32 CO 0.09 1.20 0.39 1.49 0.23 0.00 0.00 176.91 180.32 2kjc h GLU 33 N 0.62 0.63 -0.50 0.39 4.81 -1.31 -1.89 114.58 117.34 2kjc h GLU 33 Ca -0.00 -0.04 -0.08 0.00 -0.13 0.00 0.00 59.36 59.11 2kjc h GLU 33 Cb 1.21 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 30.43 2kjc h GLU 33 CO 0.13 0.42 -0.00 1.25 -0.73 0.00 0.00 179.01 180.08 2kjc h LEU 34 N 0.65 0.87 0.00 1.64 5.85 -1.47 -2.06 115.31 120.79 2kjc h LEU 34 Ca 0.24 -0.31 0.00 0.00 0.84 0.00 0.00 57.88 58.66 2kjc h LEU 34 Cb 0.15 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 40.95 2kjc h LEU 34 CO -0.07 0.96 0.00 0.18 -0.34 0.00 0.00 178.44 179.17 2kjc n LEU 35 N -4.32 0.00 0.09 2.25 4.77 -0.74 -1.31 117.00 117.74 2kjc n LEU 35 Ca 0.01 0.47 -0.22 0.00 -0.03 0.00 0.00 56.01 56.24 2kjc n LEU 35 Cb 0.32 -0.47 -0.15 0.00 -2.33 0.00 0.00 43.42 40.78 2kjc n LEU 35 CO 0.42 -0.26 -0.12 0.28 -1.33 0.00 0.00 177.39 176.39 2kjc h SER 36 N 0.00 0.64 0.45 -1.43 0.02 -1.01 -3.36 113.55 108.86 2kjc h SER 36 Ca 0.00 -0.94 -0.31 0.00 -0.84 0.00 0.00 61.79 59.71 2kjc h SER 36 Cb 0.22 -0.21 0.01 0.00 0.14 0.00 0.00 62.40 62.56 2kjc h SER 36 CO 0.00 1.56 -1.42 0.58 -1.14 0.00 0.00 176.83 176.41 2kjc h VAL 37 N -0.13 1.31 -1.70 2.27 2.07 -1.41 -3.48 116.25 115.18 2kjc h VAL 37 Ca -0.21 -2.85 0.09 0.00 0.82 0.00 0.00 66.70 64.55 2kjc h VAL 37 Cb 1.89 2.92 -0.21 0.00 -1.52 0.00 0.00 31.29 34.37 2kjc h VAL 37 CO 0.20 0.85 0.54 -0.44 0.02 0.00 0.00 177.57 178.74 2kjc s SER 38 N -7.26 -0.37 0.80 0.57 0.01 -0.43 -5.14 113.70 101.88 2kjc s SER 38 Ca -0.08 0.32 -0.11 0.00 1.31 0.00 0.00 55.95 57.40 2kjc s SER 38 Cb 0.06 0.32 0.07 0.00 0.21 0.00 0.00 66.02 66.68 2kjc s SER 38 CO 0.89 -0.40 1.09 -1.83 0.41 0.00 0.00 173.24 173.41 2kjc s GLU 39 N -1.53 2.06 -0.09 12.44 1.03 -1.26 -3.50 118.70 127.85 2kjc s GLU 39 Ca -0.00 1.03 -0.25 0.00 0.03 0.00 0.00 54.97 55.77 2kjc s GLU 39 Cb -0.01 -1.89 0.06 0.00 -0.80 0.00 0.00 34.13 31.50 2kjc s GLU 39 CO -0.00 -1.74 0.59 0.00 -1.33 0.00 0.00 175.26 172.78 2kjc s ALA 40 N -2.94 -1.51 0.69 -0.84 0.00 -1.26 -4.98 121.76 110.93 2kjc s ALA 40 Ca 0.61 1.23 -0.10 0.00 0.00 0.00 0.00 51.96 53.71 2kjc s ALA 40 Cb -0.17 -0.25 0.03 0.00 0.00 0.00 0.00 23.12 22.73 2kjc s ALA 40 CO 0.56 -0.33 1.05 -1.12 0.00 0.00 0.00 175.76 175.93 2kjc s SER 41 N -0.82 5.28 0.11 0.00 0.01 -1.26 -4.09 113.70 112.92 2kjc s SER 41 Ca -0.09 0.91 -0.28 0.00 1.31 0.00 0.00 55.95 57.80 2kjc s SER 41 Cb -0.02 -1.69 -0.08 0.00 0.21 0.00 0.00 66.02 64.43 2kjc s SER 41 CO 0.06 -1.38 1.62 0.58 0.41 0.00 0.00 173.24 174.53 2kjc h VAL 42 N -0.59 0.32 0.00 3.43 2.07 -2.00 -1.06 116.25 118.41 2kjc h VAL 42 Ca -0.45 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.06 2kjc h VAL 42 Cb 1.27 0.32 -0.00 0.00 -1.52 0.00 0.00 31.29 31.36 2kjc h VAL 42 CO 0.63 0.00 -0.05 1.23 0.02 0.00 0.00 177.57 179.40 2kjc h GLY 43 N -0.55 0.00 2.00 2.17 0.00 -1.97 -1.07 103.07 103.66 2kjc h GLY 43 Ca 0.03 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.35 2kjc h GLY 43 CO -0.19 0.00 -0.04 0.84 0.00 0.00 0.00 176.54 177.15 2kjc h HIS 44 N 0.00 0.00 0.00 5.60 6.17 -1.58 -2.99 115.15 122.35 2kjc h HIS 44 Ca -0.00 0.00 -0.19 0.00 0.71 0.00 0.00 60.37 60.88 2kjc h HIS 44 Cb 0.12 0.00 -0.03 0.00 2.52 0.00 0.00 27.41 30.02 2kjc h HIS 44 CO 0.00 0.04 -1.14 0.82 0.71 0.00 0.00 177.93 178.35 2kjc h ILE 45 N 0.00 1.04 -0.82 6.26 2.04 -0.52 -3.35 117.51 122.16 2kjc h ILE 45 Ca -0.00 -2.65 0.19 0.00 1.00 0.00 0.00 64.86 63.40 2kjc h ILE 45 Cb 0.68 2.46 -0.12 0.00 -0.74 0.00 0.00 36.82 39.10 2kjc h ILE 45 CO 0.00 0.59 0.27 0.77 0.00 0.00 0.00 178.15 179.79 2kjc h SER 46 N 0.00 0.14 0.00 1.72 4.64 -1.41 0.93 113.55 119.56 2kjc h SER 46 Ca -0.11 0.16 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 2kjc h SER 46 Cb 1.69 0.18 0.00 0.00 -0.31 0.00 0.00 62.40 63.97 2kjc h SER 46 CO 0.08 -0.04 0.08 -0.74 -0.87 0.00 0.00 176.83 175.35 2kjc h HIS 47 N 0.32 0.00 0.00 4.77 -0.00 -1.73 1.89 115.15 120.40 2kjc h HIS 47 Ca 0.49 0.00 -0.10 0.00 -0.00 0.00 0.00 60.37 60.76 2kjc h HIS 47 Cb 0.90 0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 28.29 2kjc h HIS 47 CO -0.22 0.00 -0.54 0.37 -0.00 0.00 0.00 177.93 177.55 2kjc h GLN 48 N 0.00 0.01 -1.02 5.26 4.15 0.67 -3.41 115.11 120.76 2kjc h GLN 48 Ca 0.00 -0.02 -0.38 0.00 0.77 0.00 0.00 58.65 59.02 2kjc h GLN 48 Cb 0.16 0.01 -0.40 0.00 0.21 0.00 0.00 27.48 27.45 2kjc h GLN 48 CO 0.00 1.01 -1.13 1.28 -1.93 0.00 0.00 178.83 178.06 2kjc n LEU 49 N -4.52 1.89 0.00 -2.39 4.77 -0.70 -5.10 117.00 110.95 2kjc n LEU 49 Ca -0.19 -3.86 0.00 0.00 -0.03 0.00 0.00 56.01 51.93 2kjc n LEU 49 Cb 0.57 0.31 0.00 0.00 -2.33 0.00 0.00 43.42 41.98 2kjc n LEU 49 CO 0.28 1.61 0.00 -3.20 -1.33 0.00 0.00 177.39 174.76 2kjc n ASN 50 N -0.16 0.00 -0.34 -1.43 5.15 0.63 -4.86 115.26 114.26 2kjc n ASN 50 Ca 0.13 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.11 2kjc n ASN 50 Cb 0.80 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 40.05 2kjc n ASN 50 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 2kjc n LEU 51 N 0.00 0.00 -4.00 1.20 4.32 -1.26 -4.31 117.00 112.94 2kjc n LEU 51 Ca 0.00 0.00 -0.12 0.00 -0.02 0.00 0.00 56.01 55.87 2kjc n LEU 51 Cb 0.00 0.00 -0.03 0.00 -1.62 0.00 0.00 43.42 41.77 2kjc n LEU 51 CO 0.00 -0.55 0.24 -0.44 -1.22 0.00 0.00 177.39 175.42 2kjc s SER 52 N -4.00 0.44 0.39 -1.43 0.01 -1.26 -4.86 113.70 102.99 2kjc s SER 52 Ca 0.00 -1.26 0.20 0.00 1.31 0.00 0.00 55.95 56.20 2kjc s SER 52 Cb 0.00 0.69 1.15 0.00 0.21 0.00 0.00 66.02 68.07 2kjc s SER 52 CO 0.00 -1.34 1.72 -0.61 0.41 0.00 0.00 173.24 173.42 2kjc h GLN 53 N 2.12 0.32 0.08 12.44 4.15 -1.93 0.11 115.11 132.40 2kjc h GLN 53 Ca -0.28 -0.02 0.02 0.00 0.77 0.00 0.00 58.65 59.14 2kjc h GLN 53 Cb 1.24 -0.07 -0.04 0.00 0.21 0.00 0.00 27.48 28.82 2kjc h GLN 53 CO 0.38 0.21 -0.26 0.66 -1.93 0.00 0.00 178.83 177.89 2kjc h SER 54 N 0.33 -0.76 -0.01 -0.69 4.64 -1.98 1.01 113.55 116.10 2kjc h SER 54 Ca 0.67 0.09 -0.26 0.00 -0.47 0.00 0.00 61.79 61.82 2kjc h SER 54 Cb 1.74 0.30 0.02 0.00 -0.31 0.00 0.00 62.40 64.14 2kjc h SER 54 CO -0.38 -0.35 -1.02 0.78 -0.87 0.00 0.00 176.83 174.99 2kjc h ASN 55 N -0.45 0.91 -0.30 4.97 4.21 -1.58 -3.15 115.58 120.18 2kjc h ASN 55 Ca 0.04 -0.74 -0.13 0.00 1.21 0.00 0.00 56.30 56.69 2kjc h ASN 55 Cb 0.50 -0.28 -0.00 0.00 -1.12 0.00 0.00 38.32 37.41 2kjc h ASN 55 CO -0.18 1.53 -0.30 0.58 -1.29 0.00 0.00 177.43 177.76 2kjc h VAL 56 N 0.39 1.30 0.00 2.81 2.07 -0.73 -1.90 116.25 120.19 2kjc h VAL 56 Ca -0.13 -1.47 -0.02 0.00 0.82 0.00 0.00 66.70 65.90 2kjc h VAL 56 Cb 1.68 1.55 -0.00 0.00 -1.52 0.00 0.00 31.29 33.00 2kjc h VAL 56 CO 0.20 0.48 -0.08 0.77 0.02 0.00 0.00 177.57 178.95 2kjc h SER 57 N 0.50 0.00 0.06 0.57 4.64 0.97 0.21 113.55 120.50 2kjc h SER 57 Ca 0.05 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 61.18 2kjc h SER 57 Cb 0.88 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.99 2kjc h SER 57 CO 0.08 0.08 -0.76 0.45 -0.87 0.00 0.00 176.83 175.81 2kjc h HIS 58 N 0.00 0.66 -0.18 4.77 3.86 -1.48 -2.98 115.15 119.80 2kjc h HIS 58 Ca -0.00 -0.40 -0.01 0.00 -1.16 0.00 0.00 60.37 58.80 2kjc h HIS 58 Cb 0.15 -0.06 -0.01 0.00 1.06 0.00 0.00 27.41 28.55 2kjc h HIS 58 CO 0.00 1.25 0.07 0.37 0.86 0.00 0.00 177.93 180.48 2kjc h GLN 59 N -0.12 0.26 -0.78 2.45 5.75 -0.79 -2.55 115.11 119.33 2kjc h GLN 59 Ca -0.11 -0.05 0.13 0.00 -0.15 0.00 0.00 58.65 58.47 2kjc h GLN 59 Cb 1.50 -0.04 -0.05 0.00 1.07 0.00 0.00 27.48 29.95 2kjc h GLN 59 CO 0.15 0.34 0.51 1.25 -2.65 0.00 0.00 178.83 178.43 2kjc h LEU 60 N 0.13 0.52 -1.80 -2.39 7.12 -0.70 0.13 115.31 118.32 2kjc h LEU 60 Ca 0.06 0.02 0.03 0.00 0.13 0.00 0.00 57.88 58.13 2kjc h LEU 60 Cb 0.17 -0.08 -0.01 0.00 -0.53 0.00 0.00 40.66 40.21 2kjc h LEU 60 CO -0.00 0.28 0.20 0.50 -0.13 0.00 0.00 178.44 179.28 2kjc h LYS 61 N 0.56 0.25 -0.21 1.25 3.64 -1.29 -1.86 116.57 118.91 2kjc h LYS 61 Ca 0.38 -0.01 -0.09 0.00 -1.27 0.00 0.00 60.65 59.65 2kjc h LYS 61 Cb 0.69 -0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 32.45 2kjc h LYS 61 CO -0.14 0.16 -0.23 -0.07 -2.27 0.00 0.00 179.45 176.90 2kjc h LEU 62 N 0.26 0.58 -1.34 5.20 3.38 -0.70 -3.04 115.31 119.64 2kjc h LEU 62 Ca 0.12 -0.48 -0.02 0.00 0.09 0.00 0.00 57.88 57.59 2kjc h LEU 62 Cb 0.17 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 2kjc h LEU 62 CO -0.02 0.94 0.24 -0.07 0.09 0.00 0.00 178.44 179.62 2kjc h LEU 63 N 0.22 0.62 -0.54 1.67 4.07 -1.26 -2.39 115.31 117.70 2kjc h LEU 63 Ca 0.03 -0.05 0.07 0.00 0.08 0.00 0.00 57.88 58.01 2kjc h LEU 63 Cb 0.79 -0.16 -0.06 0.00 1.08 0.00 0.00 40.66 42.31 2kjc h LEU 63 CO 0.06 0.53 0.22 0.50 -1.08 0.00 0.00 178.44 178.66 2kjc h LYS 64 N 0.70 0.41 -0.49 1.13 3.64 -1.25 -1.97 116.57 118.74 2kjc h LYS 64 Ca 0.18 -0.02 0.09 0.00 -1.27 0.00 0.00 60.65 59.62 2kjc h LYS 64 Cb 0.07 -0.09 -0.07 0.00 -0.41 0.00 0.00 32.23 31.72 2kjc h LYS 64 CO -0.02 0.27 0.06 1.03 -2.27 0.00 0.00 179.45 178.51 2kjc h SER 65 N 0.42 -0.08 0.07 4.20 0.87 -1.38 0.65 113.55 118.30 2kjc h SER 65 Ca 0.26 0.10 0.00 0.00 -1.23 0.00 0.00 61.79 60.91 2kjc h SER 65 Cb 0.25 0.15 0.00 0.00 -0.44 0.00 0.00 62.40 62.37 2kjc h SER 65 CO -0.24 -0.01 0.00 0.52 -0.53 0.00 0.00 176.83 176.57 2kjc n VAL 66 N -5.16 1.09 -1.26 2.23 0.31 -0.76 -4.76 118.33 110.02 2kjc n VAL 66 Ca 0.05 0.27 -0.09 0.00 -0.01 0.00 0.00 64.34 64.56 2kjc n VAL 66 Cb 0.25 -1.22 -0.04 0.00 -0.91 0.00 0.00 33.84 31.92 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 -1.31 0.00 0.70 3.52 -0.00 0.23 -4.80 115.22 113.56 2kjc n HIS 67 Ca 0.02 0.00 0.13 0.00 0.46 0.00 0.00 57.72 58.33 2kjc n HIS 67 Cb 0.03 -2.50 0.46 0.00 -0.12 0.00 0.00 29.99 27.86 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 -1.03 0.58 -4.03 0.27 7.94 -1.19 -4.85 117.00 114.70 2kjc n LEU 68 Ca -0.09 0.56 -0.07 0.00 -1.11 0.00 0.00 56.01 55.30 2kjc n LEU 68 Cb 0.54 -0.39 -0.09 0.00 0.53 0.00 0.00 43.42 44.01 2kjc n LEU 68 CO 0.14 -0.16 -0.29 -0.69 -1.11 0.00 0.00 177.39 175.28 2kjc s VAL 69 N -3.09 0.20 0.04 1.96 1.01 -1.26 -4.59 120.40 114.68 2kjc s VAL 69 Ca 0.11 -1.63 0.01 0.00 0.00 0.00 0.00 61.98 60.46 2kjc s VAL 69 Cb 0.14 -1.46 -0.03 0.00 0.00 0.00 0.00 36.38 35.03 2kjc s VAL 69 CO 0.56 -0.90 -0.05 -0.75 0.00 0.00 0.00 175.10 173.96 2kjc s LYS 70 N -3.89 0.48 -0.27 2.72 2.20 -1.26 -4.63 119.74 115.09 2kjc s LYS 70 Ca 0.06 -0.84 -0.09 0.00 -0.36 0.00 0.00 55.97 54.74 2kjc s LYS 70 Cb 0.07 -0.01 -0.04 0.00 -1.51 0.00 0.00 37.83 36.34 2kjc s LYS 70 CO -0.10 -0.03 0.14 0.00 -0.36 0.00 0.00 175.35 175.00 2kjc s ALA 71 N -2.12 3.37 -0.28 3.13 0.00 -1.26 -3.87 121.76 120.72 2kjc s ALA 71 Ca -0.07 -1.12 -0.13 0.00 0.00 0.00 0.00 51.96 50.63 2kjc s ALA 71 Cb -0.05 -2.31 -0.04 0.00 0.00 0.00 0.00 23.12 20.71 2kjc s ALA 71 CO -0.03 -0.55 0.30 0.21 0.00 0.00 0.00 175.76 175.69 2kjc s LYS 72 N 1.69 3.98 -0.46 0.00 2.20 -0.49 -5.04 119.74 121.63 2kjc s LYS 72 Ca 0.07 -0.12 -0.29 0.00 -0.36 0.00 0.00 55.97 55.27 2kjc s LYS 72 Cb -0.16 -3.66 0.03 0.00 -1.51 0.00 0.00 37.83 32.53 2kjc s LYS 72 CO 0.08 -0.24 1.13 1.03 -0.36 0.00 0.00 175.35 176.99 2kjc s ARG 73 N 1.94 3.77 -0.35 4.03 0.52 -1.26 -2.81 118.95 124.79 2kjc s ARG 73 Ca 0.12 0.63 -0.01 0.00 -0.52 0.00 0.00 55.73 55.95 2kjc s ARG 73 Cb -0.16 -3.89 0.13 0.00 0.52 0.00 0.00 34.95 31.55 2kjc s ARG 73 CO 0.10 -1.32 0.19 -1.14 0.02 0.00 0.00 175.30 173.15 2kjc s GLN 74 N 4.36 0.61 3.02 3.54 2.00 -1.19 -5.03 119.66 126.98 2kjc s GLN 74 Ca 0.48 -1.25 0.00 0.00 -2.00 0.00 0.00 55.36 52.59 2kjc s GLN 74 Cb -0.08 -1.52 0.00 0.00 0.80 0.00 0.00 33.01 32.21 2kjc s GLN 74 CO 0.30 -1.14 0.00 0.41 -0.50 0.00 0.00 175.29 174.36 2kjc n GLY 75 N 4.30 0.14 0.00 2.59 0.00 -1.26 -2.89 105.19 108.07 2kjc n GLY 75 Ca 0.06 -0.94 0.10 0.00 0.00 0.00 0.00 46.02 45.24 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 0.12 -3.65 1.61 1.13 -1.26 -4.70 117.38 110.64 2kjc n GLN 76 Ca 0.00 0.13 -0.36 0.00 -1.94 0.00 0.00 57.00 54.83 2kjc n GLN 76 Cb 0.00 -1.50 -0.07 0.00 0.11 0.00 0.00 30.24 28.78 2kjc n GLN 76 CO 0.00 0.00 0.00 -1.54 -1.44 0.00 0.00 177.06 174.08 2kjc s SER 77 N -2.82 6.44 -0.82 1.08 1.04 -1.14 -5.05 113.70 112.43 2kjc s SER 77 Ca 0.14 0.51 -0.15 0.00 0.48 0.00 0.00 55.95 56.93 2kjc s SER 77 Cb 0.13 -2.15 0.19 0.00 0.10 0.00 0.00 66.02 64.30 2kjc s SER 77 CO 0.34 0.22 0.81 -0.04 0.98 0.00 0.00 173.24 175.55 2kjc s MET 78 N -0.13 3.55 0.29 4.02 -1.94 -1.26 -3.14 119.30 120.69 2kjc s MET 78 Ca 0.16 -2.25 -0.23 0.00 -1.71 0.00 0.00 55.69 51.66 2kjc s MET 78 Cb -0.13 -4.50 -0.09 0.00 2.01 0.00 0.00 34.83 32.12 2kjc s MET 78 CO 0.04 -1.39 0.85 0.42 -0.01 0.00 0.00 175.02 174.93 2kjc s ILE 79 N 0.79 4.39 0.18 2.53 1.01 -1.12 -4.51 121.20 124.46 2kjc s ILE 79 Ca 0.19 1.55 0.11 0.00 0.00 0.00 0.00 60.65 62.50 2kjc s ILE 79 Cb -0.11 -3.90 -0.04 0.00 0.01 0.00 0.00 42.46 38.41 2kjc s ILE 79 CO -0.08 0.12 -0.24 -0.31 0.00 0.00 0.00 174.94 174.44 2kjc s TYR 80 N -1.63 2.26 0.00 3.97 1.51 -1.26 -1.40 117.35 120.80 2kjc s TYR 80 Ca 0.48 -0.37 0.00 0.00 -1.01 0.00 0.00 57.07 56.17 2kjc s TYR 80 Cb -0.17 -1.13 0.00 0.00 -0.11 0.00 0.00 41.96 40.55 2kjc s TYR 80 CO 0.22 0.47 0.00 0.43 -1.11 0.00 0.00 175.55 175.55 2kjc n SER 81 N 0.35 0.00 -4.86 2.29 7.64 -1.25 -3.98 113.62 113.80 2kjc n SER 81 Ca -0.13 -0.65 -0.30 0.00 1.01 0.00 0.00 58.87 58.80 2kjc n SER 81 Cb 0.56 0.00 0.07 0.00 -1.01 0.00 0.00 64.21 63.83 2kjc n SER 81 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2kjc s LEU 82 N 0.00 2.69 -0.05 -3.43 1.43 -1.26 -4.12 118.68 113.94 2kjc s LEU 82 Ca 0.00 1.09 -0.16 0.00 -1.03 0.00 0.00 54.13 54.03 2kjc s LEU 82 Cb 0.00 -3.75 -0.31 0.00 0.03 0.00 0.00 46.19 42.16 2kjc s LEU 82 CO 0.00 -1.68 0.75 0.44 0.23 0.00 0.00 176.35 176.09 2kjc h ASP 83 N -0.89 0.57 0.00 2.29 5.19 -1.95 -3.45 116.42 118.18 2kjc h ASP 83 Ca -0.46 -0.91 0.00 0.00 -0.62 0.00 0.00 57.03 55.04 2kjc h ASP 83 Cb 1.28 -0.18 0.00 0.00 0.18 0.00 0.00 39.33 40.60 2kjc h ASP 83 CO 0.63 1.65 0.00 0.47 -3.12 0.00 0.00 179.24 178.87 2kjc n ASP 84 N -3.83 0.00 0.00 6.45 8.00 -1.26 -5.06 116.55 120.85 2kjc n ASP 84 Ca -0.21 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.29 2kjc n ASP 84 Cb 0.98 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 42.08 2kjc n ASP 84 CO 0.00 0.00 0.00 2.30 -0.39 0.00 0.00 177.20 179.11 2kjc n ILE 85 N -0.81 0.00 -0.21 0.53 -5.35 -1.26 -4.92 119.36 107.34 2kjc n ILE 85 Ca 0.00 0.00 0.28 0.00 -0.27 0.00 0.00 62.75 62.76 2kjc n ILE 85 Cb 0.00 0.00 0.69 0.00 -1.74 0.00 0.00 39.64 38.59 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 0.12 -0.30 4.28 3.86 -1.99 0.12 115.15 121.24 2kjc h HIS 86 Ca 0.00 0.00 -0.03 0.00 -1.16 0.00 0.00 60.37 59.18 2kjc h HIS 86 Cb 0.00 -0.03 -0.01 0.00 1.06 0.00 0.00 27.41 28.42 2kjc h HIS 86 CO 0.00 0.02 0.05 0.28 0.86 0.00 0.00 177.93 179.14 2kjc h VAL 87 N 0.08 1.23 0.58 2.45 2.07 -1.97 -2.88 116.25 117.81 2kjc h VAL 87 Ca 0.46 -0.79 -0.03 0.00 0.82 0.00 0.00 66.70 67.16 2kjc h VAL 87 Cb 1.69 1.18 0.01 0.00 -1.52 0.00 0.00 31.29 32.65 2kjc h VAL 87 CO -0.05 0.26 -0.28 0.00 0.02 0.00 0.00 177.57 177.52 2kjc h ALA 88 N 0.88 -0.81 -0.33 1.67 0.00 -1.17 -3.03 119.26 116.48 2kjc h ALA 88 Ca 0.09 -0.17 0.10 0.00 0.00 0.00 0.00 54.91 54.92 2kjc h ALA 88 Cb 0.34 0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 2kjc h ALA 88 CO 0.01 -0.75 0.79 1.79 0.00 0.00 0.00 179.25 181.08 2kjc h THR 89 N -1.17 0.07 0.13 0.00 1.35 -1.42 -1.43 112.91 110.43 2kjc h THR 89 Ca -0.08 0.00 -0.01 0.00 -0.55 0.00 0.00 66.41 65.77 2kjc h THR 89 Cb 0.60 0.29 0.00 0.00 -1.73 0.00 0.00 68.15 67.31 2kjc h THR 89 CO 0.13 0.00 -0.06 -0.03 -0.25 0.00 0.00 175.52 175.31 2kjc h MET 90 N 0.00 -0.17 -1.00 4.72 4.05 -1.38 -3.01 114.93 118.14 2kjc h MET 90 Ca 0.16 0.01 0.29 0.00 -0.28 0.00 0.00 59.70 59.87 2kjc h MET 90 Cb 1.73 0.04 -0.05 0.00 -0.80 0.00 0.00 31.60 32.52 2kjc h MET 90 CO -0.00 -0.11 0.71 1.25 0.23 0.00 0.00 176.91 178.99 2kjc h LEU 91 N -0.50 0.05 0.01 3.39 5.85 -1.23 -2.37 115.31 120.51 2kjc h LEU 91 Ca -0.02 0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.71 2kjc h LEU 91 Cb 0.13 -0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.16 2kjc h LEU 91 CO 0.03 0.01 -0.00 0.50 -0.34 0.00 0.00 178.44 178.64 2kjc h LYS 92 N 0.05 -0.01 0.00 1.25 3.64 -1.50 -2.77 116.57 117.22 2kjc h LYS 92 Ca 0.48 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.87 2kjc h LYS 92 Cb 1.85 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.68 2kjc h LYS 92 CO -0.03 -0.01 0.28 1.96 -2.27 0.00 0.00 179.45 179.38 2kjc h GLN 93 N -0.02 0.00 0.08 1.90 4.20 -1.34 -2.30 115.11 117.62 2kjc h GLN 93 Ca -0.00 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.70 2kjc h GLN 93 Cb 0.01 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.79 2kjc h GLN 93 CO 0.00 0.00 -0.04 0.00 -0.67 0.00 0.00 178.83 178.12 2kjc h ALA 94 N 1.35 -0.16 0.00 3.87 0.00 -1.41 -3.05 119.26 119.85 2kjc h ALA 94 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2kjc h ALA 94 Cb 0.57 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.40 2kjc h ALA 94 CO 0.00 -0.15 0.18 0.82 0.00 0.00 0.00 179.25 180.10 2kjc h ILE 95 N -0.61 0.00 0.04 0.00 2.04 -1.17 0.97 117.51 118.77 2kjc h ILE 95 Ca -0.01 0.00 -0.24 0.00 1.00 0.00 0.00 64.86 65.61 2kjc h ILE 95 Cb 0.08 0.66 0.01 0.00 -0.74 0.00 0.00 36.82 36.83 2kjc h ILE 95 CO 0.02 0.00 -1.03 0.45 0.00 0.00 0.00 178.15 177.59 2kjc h HIS 96 N 0.00 0.62 0.44 1.37 3.86 -1.49 -3.24 115.15 116.71 2kjc h HIS 96 Ca 0.00 -0.37 -0.02 0.00 -1.16 0.00 0.00 60.37 58.82 2kjc h HIS 96 Cb 0.36 -0.06 0.00 0.00 1.06 0.00 0.00 27.41 28.78 2kjc h HIS 96 CO 0.00 1.21 -0.21 1.25 0.86 0.00 0.00 177.93 181.04 2kjc h HIS 97 N 0.20 -0.54 0.00 2.45 -0.00 -0.68 -3.35 115.15 113.23 2kjc h HIS 97 Ca -0.10 -0.01 0.00 0.00 -0.00 0.00 0.00 60.37 60.26 2kjc h HIS 97 Cb 1.69 0.18 0.00 0.00 -0.00 0.00 0.00 27.41 29.28 2kjc h HIS 97 CO 0.07 -0.34 0.00 0.00 -0.00 0.00 0.00 177.93 177.66 2kjc n ALA 98 N -2.32 -0.03 -2.69 5.26 0.00 -1.21 -4.24 120.51 115.29 2kjc n ALA 98 Ca -0.07 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 52.95 2kjc n ALA 98 Cb 0.23 0.28 -0.03 0.00 0.00 0.00 0.00 19.45 19.93 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 -2.85 7.18 -0.45 0.00 4.22 -1.22 -4.94 114.94 116.88 2kjc s ASN 99 Ca 0.00 1.45 0.05 0.00 -2.14 0.00 0.00 52.86 52.22 2kjc s ASN 99 Cb 0.00 -2.53 0.26 0.00 1.28 0.00 0.00 41.25 40.27 2kjc s ASN 99 CO 0.00 -0.40 1.01 1.57 -2.04 0.00 0.00 177.10 177.24 2kjc n HIS 100 N 4.88 -2.66 0.00 1.54 -0.00 -1.26 -4.49 115.22 113.23 2kjc n HIS 100 Ca 0.07 -1.59 -0.02 0.00 0.46 0.00 0.00 57.72 56.64 2kjc n HIS 100 Cb 0.49 1.48 -0.01 0.00 -0.12 0.00 0.00 29.99 31.83 2kjc n HIS 100 CO 0.00 0.00 0.00 -1.35 0.46 0.00 0.00 176.34 175.45 2kjc h PRO 101 N 3.60 -0.06 -1.75 1.57 0.11 -1.93 -3.47 132.00 130.06 2kjc h PRO 101 Ca -0.16 0.00 0.10 0.00 0.11 0.00 0.00 66.00 66.05 2kjc h PRO 101 Cb 1.08 0.01 -0.21 0.00 0.11 0.00 0.00 31.00 32.00 2kjc h PRO 101 CO 0.19 -0.04 0.54 0.21 -0.21 0.00 0.00 178.00 178.69 2kjc s LYS 102 N -3.27 0.65 0.00 1.05 2.20 -1.26 -5.31 119.74 113.79 2kjc s LYS 102 Ca -0.02 0.02 0.16 0.00 -0.36 0.00 0.00 55.97 55.77 2kjc s LYS 102 Cb 0.01 0.30 0.96 0.00 -1.51 0.00 0.00 37.83 37.59 2kjc s LYS 102 CO 0.06 -0.23 1.37 0.39 -0.36 0.00 0.00 175.35 176.58