#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kjs s PRO 2 N 0.00 3.82 -0.01 0.03 0.04 -1.26 -4.90 135.00 132.71 2kjs s PRO 2 Ca 0.00 0.71 -0.01 0.00 0.04 0.00 0.00 61.00 61.74 2kjs s PRO 2 Cb 0.00 -3.86 -0.00 0.00 0.04 0.00 0.00 34.50 30.67 2kjs s PRO 2 CO 0.00 -1.26 -0.02 0.25 0.04 0.00 0.00 177.00 176.01 2kjs n THR 3 N 6.58 0.09 -0.23 1.26 -2.24 -1.26 -3.95 114.28 114.53 2kjs n THR 3 Ca 0.12 0.46 -0.07 0.00 -2.27 0.00 0.00 64.05 62.29 2kjs n THR 3 Cb 0.48 -1.53 0.04 0.00 -2.10 0.00 0.00 70.33 67.22 2kjs n THR 3 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 2kjs h LEU 4 N -0.06 0.92 -1.75 3.22 3.38 -1.96 -0.53 115.31 118.53 2kjs h LEU 4 Ca 0.00 -0.19 -0.01 0.00 0.09 0.00 0.00 57.88 57.78 2kjs h LEU 4 Cb 0.06 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.57 2kjs h LEU 4 CO 0.00 0.86 -0.04 0.44 0.09 0.00 0.00 178.44 179.80 2kjs h ASP 5 N 0.93 0.00 0.75 -0.43 3.32 -1.96 -1.36 116.42 117.67 2kjs h ASP 5 Ca 0.22 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.27 2kjs h ASP 5 Cb 0.24 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.79 2kjs h ASP 5 CO -0.01 0.04 -0.95 0.00 -1.72 0.00 0.00 179.24 176.59 2kjs n ALA 6 N -2.12 2.90 1.03 3.45 0.00 -0.71 -3.85 120.51 121.21 2kjs n ALA 6 Ca -0.00 -0.30 0.11 0.00 0.00 0.00 0.00 53.44 53.25 2kjs n ALA 6 Cb 0.27 -1.07 0.01 0.00 0.00 0.00 0.00 19.45 18.66 2kjs n ALA 6 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2kjs n LEU 7 N -2.29 1.46 -0.04 0.00 4.77 -0.29 -4.35 117.00 116.26 2kjs n LEU 7 Ca 0.01 -0.56 -0.15 0.00 -0.03 0.00 0.00 56.01 55.29 2kjs n LEU 7 Cb 0.49 -0.03 -0.09 0.00 -2.33 0.00 0.00 43.42 41.46 2kjs n LEU 7 CO 0.39 0.30 0.48 0.74 -1.33 0.00 0.00 177.39 177.97 2kjs h THR 8 N 1.27 1.40 -0.41 -5.08 2.02 -1.38 -2.80 112.91 107.93 2kjs h THR 8 Ca 0.00 -1.62 0.04 0.00 0.77 0.00 0.00 66.41 65.60 2kjs h THR 8 Cb 0.62 2.20 -0.04 0.00 -1.74 0.00 0.00 68.15 69.19 2kjs h THR 8 CO 0.00 0.47 0.17 -0.65 0.37 0.00 0.00 175.52 175.88 2kjs h PRO 9 N -0.10 0.34 -0.45 6.66 0.11 -1.76 -1.32 132.00 135.47 2kjs h PRO 9 Ca -0.01 -0.02 -0.04 0.00 0.11 0.00 0.00 66.00 66.04 2kjs h PRO 9 Cb 0.90 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 31.92 2kjs h PRO 9 CO 0.06 0.22 0.11 0.82 -0.21 0.00 0.00 178.00 179.00 2kjs h ILE 10 N 0.35 1.24 -0.68 4.15 1.08 -1.79 -1.74 117.51 120.12 2kjs h ILE 10 Ca 0.19 -0.82 0.02 0.00 -0.39 0.00 0.00 64.86 63.86 2kjs h ILE 10 Cb 0.15 0.91 -0.04 0.00 -3.07 0.00 0.00 36.82 34.76 2kjs h ILE 10 CO -0.17 0.29 0.43 -0.26 -0.69 0.00 0.00 178.15 177.75 2kjs h PHE 11 N 0.60 0.81 -0.59 1.37 -1.00 -1.19 0.26 116.94 117.20 2kjs h PHE 11 Ca 0.14 0.02 -0.06 0.00 2.81 0.00 0.00 57.97 60.88 2kjs h PHE 11 Cb 0.32 -0.27 -0.02 0.00 3.61 0.00 0.00 35.95 39.59 2kjs h PHE 11 CO 0.02 0.48 0.13 0.00 -1.61 0.00 0.00 178.31 177.33 2kjs h ARG 12 N 0.86 0.95 -0.40 1.51 3.08 -1.06 -0.82 114.38 118.51 2kjs h ARG 12 Ca 0.26 -0.24 -0.13 0.00 0.07 0.00 0.00 59.98 59.95 2kjs h ARG 12 Cb -0.03 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 29.89 2kjs h ARG 12 CO -0.09 0.89 -0.25 1.96 -1.07 0.00 0.00 179.97 181.41 2kjs h GLN 13 N 0.86 0.87 -0.34 0.04 1.08 -0.83 1.82 115.11 118.61 2kjs h GLN 13 Ca 0.18 -0.40 -0.02 0.00 -1.45 0.00 0.00 58.65 56.96 2kjs h GLN 13 Cb 0.37 -0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 27.78 2kjs h GLN 13 CO 0.01 1.05 0.11 0.28 -0.95 0.00 0.00 178.83 179.33 2kjs h VAL 14 N 0.68 1.20 -0.01 -0.54 2.07 -0.35 -2.83 116.25 116.47 2kjs h VAL 14 Ca 0.08 -0.64 0.00 0.00 0.82 0.00 0.00 66.70 66.96 2kjs h VAL 14 Cb 0.82 0.99 0.00 0.00 -1.52 0.00 0.00 31.29 31.58 2kjs h VAL 14 CO 0.07 0.22 -0.33 0.33 0.02 0.00 0.00 177.57 177.88 2kjs n PHE 15 N -4.67 0.00 -3.75 1.57 7.35 -0.33 -4.98 117.46 112.65 2kjs n PHE 15 Ca -0.01 0.00 -0.31 0.00 -0.76 0.00 0.00 57.45 56.36 2kjs n PHE 15 Cb 0.16 -0.09 0.03 0.00 0.35 0.00 0.00 39.48 39.93 2kjs n PHE 15 CO 0.00 0.00 0.00 -3.47 -0.76 0.00 0.00 176.76 172.53 2kjs n ASP 16 N -0.50 -4.32 -3.59 -2.13 2.03 0.61 -4.98 116.55 103.67 2kjs n ASP 16 Ca 0.11 -1.03 -0.02 0.00 0.52 0.00 0.00 54.79 54.37 2kjs n ASP 16 Cb 0.38 -3.23 -0.06 0.00 -0.72 0.00 0.00 41.12 37.49 2kjs n ASP 16 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 2kjs s ASP 17 N -3.64 -0.76 0.90 1.67 2.15 -0.42 -5.01 116.67 111.55 2kjs s ASP 17 Ca 0.39 1.13 -0.10 0.00 0.43 0.00 0.00 52.55 54.40 2kjs s ASP 17 Cb -0.14 1.58 0.19 0.00 -0.30 0.00 0.00 42.92 44.25 2kjs s ASP 17 CO 0.87 -0.17 1.18 0.47 -0.17 0.00 0.00 175.17 177.35 2kjs n ASP 18 N 4.51 0.56 -0.08 -0.34 8.00 -1.26 -4.44 116.55 123.51 2kjs n ASP 18 Ca -0.15 -1.71 -0.01 0.00 0.71 0.00 0.00 54.79 53.62 2kjs n ASP 18 Cb 0.55 -0.86 -0.00 0.00 -0.02 0.00 0.00 41.12 40.79 2kjs n ASP 18 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 2kjs n SER 19 N -3.49 -3.17 -4.72 -2.24 2.88 -1.26 -5.01 113.62 96.61 2kjs n SER 19 Ca 0.16 0.03 -0.41 0.00 -1.33 0.00 0.00 58.87 57.32 2kjs n SER 19 Cb 0.57 -0.76 -0.04 0.00 -0.75 0.00 0.00 64.21 63.22 2kjs n SER 19 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 2kjs s ILE 20 N -2.02 4.89 -0.11 2.46 -1.09 -1.26 -5.05 121.20 119.01 2kjs s ILE 20 Ca 0.00 1.77 0.01 0.00 -2.23 0.00 0.00 60.65 60.20 2kjs s ILE 20 Cb 0.00 -4.19 -0.02 0.00 -1.58 0.00 0.00 42.46 36.68 2kjs s ILE 20 CO 0.00 0.23 -0.14 0.68 -1.23 0.00 0.00 174.94 174.48 2kjs s VAL 21 N 0.70 2.97 0.12 2.92 -7.23 -1.26 -5.06 120.40 113.56 2kjs s VAL 21 Ca 0.44 -0.70 0.10 0.00 -1.81 0.00 0.00 61.98 60.01 2kjs s VAL 21 Cb -0.20 -2.22 -0.04 0.00 0.56 0.00 0.00 36.38 34.48 2kjs s VAL 21 CO 0.24 0.54 -0.26 -0.76 -0.31 0.00 0.00 175.10 174.55 2kjs s LEU 22 N 0.15 2.31 0.26 1.32 1.43 -1.26 -5.13 118.68 117.76 2kjs s LEU 22 Ca -0.07 -0.73 0.04 0.00 -1.03 0.00 0.00 54.13 52.33 2kjs s LEU 22 Cb -0.15 -1.16 -0.06 0.00 0.03 0.00 0.00 46.19 44.85 2kjs s LEU 22 CO 0.05 0.16 0.02 0.42 0.23 0.00 0.00 176.35 177.24 2kjs s THR 23 N -1.06 1.06 0.36 5.49 -4.23 -1.26 -5.04 115.64 110.96 2kjs s THR 23 Ca 0.13 -2.03 0.05 0.00 -1.18 0.00 0.00 61.69 58.66 2kjs s THR 23 Cb -0.10 -2.52 0.21 0.00 1.34 0.00 0.00 72.50 71.43 2kjs s THR 23 CO 0.05 -0.19 1.95 0.08 -0.54 0.00 0.00 174.62 175.98 2kjs h ARG 24 N 2.34 0.58 -2.13 3.99 0.11 -1.99 -3.31 114.38 113.97 2kjs h ARG 24 Ca -0.39 -0.08 -0.57 0.00 0.10 0.00 0.00 59.98 59.04 2kjs h ARG 24 Cb 1.23 -0.11 -0.40 0.00 1.11 0.00 0.00 29.97 31.81 2kjs h ARG 24 CO 0.66 0.49 -0.97 0.39 0.10 0.00 0.00 179.97 180.64 2kjs n GLU 25 N -4.37 1.03 -0.00 0.08 1.02 -1.26 -1.62 120.64 115.53 2kjs n GLU 25 Ca 0.03 -3.54 -0.13 0.00 -0.02 0.00 0.00 57.16 53.50 2kjs n GLU 25 Cb 0.15 -1.52 -0.14 0.00 -0.02 0.00 0.00 31.44 29.92 2kjs n GLU 25 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2kjs h THR 26 N 2.68 0.86 -2.99 2.62 1.03 -1.98 -3.50 112.91 111.63 2kjs h THR 26 Ca 0.13 -2.65 0.00 0.00 -0.01 0.00 0.00 66.41 63.88 2kjs h THR 26 Cb 0.84 2.50 0.00 0.00 -1.07 0.00 0.00 68.15 70.42 2kjs h THR 26 CO 0.53 0.65 -0.72 -0.24 -0.01 0.00 0.00 175.52 175.73 2kjs n SER 27 N -3.22 -7.24 0.26 0.00 2.88 -1.26 -3.60 113.62 101.44 2kjs n SER 27 Ca -0.20 1.00 0.17 0.00 -1.33 0.00 0.00 58.87 58.51 2kjs n SER 27 Cb 1.05 -3.60 0.91 0.00 -0.75 0.00 0.00 64.21 61.82 2kjs n SER 27 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2kjs h ALA 28 N 1.63 1.58 -0.83 -1.46 0.00 -1.91 -0.63 119.26 117.64 2kjs h ALA 28 Ca 0.00 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 2kjs h ALA 28 Cb 0.00 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.76 2kjs h ALA 28 CO 0.00 -0.18 0.38 -0.97 0.00 0.00 0.00 179.25 178.49 2kjs h ASN 29 N 0.00 1.10 -0.81 0.00 -0.73 -2.00 -2.58 115.58 110.55 2kjs h ASN 29 Ca 0.04 -0.14 -0.03 0.00 1.87 0.00 0.00 56.30 58.04 2kjs h ASN 29 Cb 0.30 -0.28 -0.04 0.00 0.27 0.00 0.00 38.32 38.57 2kjs h ASN 29 CO -0.00 0.94 0.39 -0.78 -0.37 0.00 0.00 177.43 177.61 2kjs h ASP 30 N 1.19 1.07 -3.63 1.15 1.82 -1.16 -3.39 116.42 113.46 2kjs h ASP 30 Ca 0.28 -0.14 -0.67 0.00 -0.39 0.00 0.00 57.03 56.12 2kjs h ASP 30 Cb 0.14 -0.27 -0.24 0.00 0.68 0.00 0.00 39.33 39.64 2kjs h ASP 30 CO -0.03 0.90 -0.59 -0.63 -1.61 0.00 0.00 179.24 177.28 2kjs s ILE 31 N -5.70 4.32 -0.11 2.25 1.01 -0.97 -4.95 121.20 117.05 2kjs s ILE 31 Ca -0.13 -0.46 0.29 0.00 0.00 0.00 0.00 60.65 60.36 2kjs s ILE 31 Cb 0.16 -3.17 0.36 0.00 0.01 0.00 0.00 42.46 39.82 2kjs s ILE 31 CO 0.83 0.13 1.82 0.44 0.00 0.00 0.00 174.94 178.16 2kjs h ASP 32 N 8.29 0.00 -0.20 3.58 3.32 -1.77 -3.38 116.42 126.25 2kjs h ASP 32 Ca -0.33 0.00 -0.65 0.00 0.02 0.00 0.00 57.03 56.06 2kjs h ASP 32 Cb 1.15 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.67 2kjs h ASP 32 CO 0.60 0.02 2.55 0.00 -1.72 0.00 0.00 179.24 180.69 2kjs n ALA 33 N -2.10 4.22 -2.98 3.45 0.00 -1.26 -4.62 120.51 117.22 2kjs n ALA 33 Ca 0.02 -3.64 -0.14 0.00 0.00 0.00 0.00 53.44 49.68 2kjs n ALA 33 Cb 0.41 -3.57 -0.02 0.00 0.00 0.00 0.00 19.45 16.26 2kjs n ALA 33 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 177.50 179.37 2kjs n TRP 34 N 7.69 -2.49 -2.44 0.00 -0.00 -1.26 -5.09 117.44 113.86 2kjs n TRP 34 Ca 0.50 -2.26 -0.23 0.00 -0.00 0.00 0.00 57.50 55.50 2kjs n TRP 34 Cb 0.41 0.92 0.06 0.00 -0.00 0.00 0.00 31.31 32.71 2kjs n TRP 34 CO 0.00 0.00 0.00 0.16 -0.00 0.00 0.00 177.69 177.85 2kjs s ASP 35 N -0.18 4.94 0.36 5.87 1.47 -1.26 -4.97 116.67 122.89 2kjs s ASP 35 Ca 0.32 0.14 0.04 0.00 1.18 0.00 0.00 52.55 54.23 2kjs s ASP 35 Cb 0.08 -0.85 0.67 0.00 -0.34 0.00 0.00 42.92 42.48 2kjs s ASP 35 CO -0.14 -1.44 1.99 0.28 0.68 0.00 0.00 175.17 176.53 2kjs h SER 36 N -0.30 0.62 -0.88 2.11 0.02 -2.01 -2.11 113.55 111.00 2kjs h SER 36 Ca -0.42 -0.04 -0.02 0.00 -0.84 0.00 0.00 61.79 60.47 2kjs h SER 36 Cb 1.30 -0.16 -0.04 0.00 0.14 0.00 0.00 62.40 63.64 2kjs h SER 36 CO 0.54 0.50 0.48 -0.07 -1.14 0.00 0.00 176.83 177.13 2kjs h LEU 37 N 0.70 1.10 -0.72 5.07 3.38 -2.00 -2.45 115.31 120.39 2kjs h LEU 37 Ca 0.18 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 2kjs h LEU 37 Cb 0.02 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.45 2kjs h LEU 37 CO -0.03 0.89 0.42 -1.28 0.09 0.00 0.00 178.44 178.53 2kjs h SER 38 N 1.23 0.88 -0.48 -0.43 0.87 -1.76 -0.93 113.55 112.93 2kjs h SER 38 Ca 0.31 -0.07 0.04 0.00 -1.23 0.00 0.00 61.79 60.83 2kjs h SER 38 Cb 0.04 -0.22 -0.04 0.00 -0.44 0.00 0.00 62.40 61.74 2kjs h SER 38 CO -0.05 0.69 0.25 -0.74 -0.53 0.00 0.00 176.83 176.46 2kjs h HIS 39 N 0.98 0.47 -0.65 2.24 -0.00 -1.28 0.45 115.15 117.36 2kjs h HIS 39 Ca 0.26 0.02 -0.09 0.00 -0.00 0.00 0.00 60.37 60.56 2kjs h HIS 39 Cb -0.01 -0.14 -0.02 0.00 -0.00 0.00 0.00 27.41 27.23 2kjs h HIS 39 CO -0.01 0.24 0.07 0.52 -0.00 0.00 0.00 177.93 178.76 2kjs h MET 40 N 0.50 1.10 -0.77 5.26 2.07 -1.20 -2.68 114.93 119.22 2kjs h MET 40 Ca 0.21 -0.31 -0.05 0.00 -2.07 0.00 0.00 59.70 57.47 2kjs h MET 40 Cb 0.09 -0.12 -0.03 0.00 -1.87 0.00 0.00 31.60 29.67 2kjs h MET 40 CO -0.13 1.03 0.29 -0.91 1.07 0.00 0.00 176.91 178.25 2kjs h ASN 41 N 1.02 1.07 -0.71 1.22 2.35 -0.56 -2.24 115.58 117.74 2kjs h ASN 41 Ca 0.19 -0.18 -0.02 0.00 -0.55 0.00 0.00 56.30 55.75 2kjs h ASN 41 Cb 0.48 -0.28 -0.03 0.00 0.05 0.00 0.00 38.32 38.54 2kjs h ASN 41 CO 0.02 0.96 0.36 -0.07 -1.65 0.00 0.00 177.43 177.06 2kjs h LEU 42 N 1.13 0.90 -0.44 1.61 3.38 -0.70 -0.91 115.31 120.27 2kjs h LEU 42 Ca 0.25 -0.11 -0.03 0.00 0.09 0.00 0.00 57.88 58.08 2kjs h LEU 42 Cb 0.24 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 2kjs h LEU 42 CO -0.02 0.76 0.16 0.40 0.09 0.00 0.00 178.44 179.83 2kjs h ILE 43 N 0.98 1.21 -0.16 1.22 2.04 -1.19 0.11 117.51 121.73 2kjs h ILE 43 Ca 0.25 -0.67 -0.01 0.00 1.00 0.00 0.00 64.86 65.42 2kjs h ILE 43 Cb 0.08 0.83 -0.01 0.00 -0.74 0.00 0.00 36.82 36.98 2kjs h ILE 43 CO -0.04 0.24 0.06 0.58 0.00 0.00 0.00 178.15 179.00 2kjs h VAL 44 N 0.57 1.16 -0.22 1.67 2.07 -1.13 0.32 116.25 120.69 2kjs h VAL 44 Ca 0.14 -0.47 -0.02 0.00 0.82 0.00 0.00 66.70 67.17 2kjs h VAL 44 Cb 0.22 1.18 -0.01 0.00 -1.52 0.00 0.00 31.29 31.17 2kjs h VAL 44 CO -0.01 0.15 0.05 0.77 0.02 0.00 0.00 177.57 178.55 2kjs h SER 45 N 0.10 0.34 -0.61 0.57 4.64 -1.09 -2.53 113.55 114.96 2kjs h SER 45 Ca 0.05 -0.24 -0.07 0.00 -0.47 0.00 0.00 61.79 61.06 2kjs h SER 45 Cb 0.18 -0.09 -0.02 0.00 -0.31 0.00 0.00 62.40 62.15 2kjs h SER 45 CO -0.00 0.49 0.12 -0.07 -0.87 0.00 0.00 176.83 176.50 2kjs h LEU 46 N 0.17 0.95 0.24 5.97 3.38 -0.72 0.13 115.31 125.43 2kjs h LEU 46 Ca 0.07 -0.25 0.01 0.00 0.09 0.00 0.00 57.88 57.80 2kjs h LEU 46 Cb 0.29 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 2kjs h LEU 46 CO 0.00 0.96 -0.28 -0.08 0.09 0.00 0.00 178.44 179.12 2kjs h GLU 47 N 0.91 -0.55 -0.36 1.13 4.81 -0.27 0.37 114.58 120.62 2kjs h GLU 47 Ca 0.19 0.04 -0.10 0.00 -0.13 0.00 0.00 59.36 59.36 2kjs h GLU 47 Cb 0.39 0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.89 2kjs h GLU 47 CO 0.01 -0.37 -0.16 0.28 -0.73 0.00 0.00 179.01 178.04 2kjs h VAL 48 N -0.57 1.28 -0.08 0.32 2.07 -1.42 1.53 116.25 119.37 2kjs h VAL 48 Ca 0.00 -1.28 -0.00 0.00 0.82 0.00 0.00 66.70 66.25 2kjs h VAL 48 Cb 0.55 1.35 -0.00 0.00 -1.52 0.00 0.00 31.29 31.66 2kjs h VAL 48 CO -0.09 0.42 0.05 -0.74 0.02 0.00 0.00 177.57 177.23 2kjs h HIS 49 N 0.53 0.11 0.00 1.57 -0.00 -0.54 -2.98 115.15 113.84 2kjs h HIS 49 Ca 0.08 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.45 2kjs h HIS 49 Cb 0.70 -0.04 0.00 0.00 -0.00 0.00 0.00 27.41 28.07 2kjs h HIS 49 CO 0.06 0.10 -0.78 0.66 -0.00 0.00 0.00 177.93 177.97 2kjs n TYR 50 N -5.01 0.49 -3.61 5.26 4.01 0.13 -4.97 117.16 113.46 2kjs n TYR 50 Ca -0.06 0.14 -0.21 0.00 -0.16 0.00 0.00 57.90 57.62 2kjs n TYR 50 Cb 0.04 -0.61 0.06 0.00 -0.31 0.00 0.00 39.34 38.52 2kjs n TYR 50 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 2kjs n LYS 51 N -2.10 -5.97 -4.36 -0.72 5.02 0.52 -5.00 118.16 105.53 2kjs n LYS 51 Ca 0.03 0.73 -0.18 0.00 -2.02 0.00 0.00 58.31 56.86 2kjs n LYS 51 Cb 0.45 -5.55 -0.10 0.00 -0.02 0.00 0.00 35.03 29.80 2kjs n LYS 51 CO 0.00 0.00 0.00 0.96 -0.52 0.00 0.00 177.40 177.84 2kjs s ILE 52 N -3.48 0.90 -0.08 -0.18 -4.36 -1.00 -5.02 121.20 107.98 2kjs s ILE 52 Ca 0.13 -2.01 -0.03 0.00 -0.26 0.00 0.00 60.65 58.49 2kjs s ILE 52 Cb -0.06 -2.61 -0.04 0.00 1.25 0.00 0.00 42.46 41.00 2kjs s ILE 52 CO 0.77 -0.09 0.04 -0.54 0.24 0.00 0.00 174.94 175.36 2kjs s LYS 53 N -3.94 3.07 0.03 0.37 -0.14 -1.26 -4.69 119.74 113.18 2kjs s LYS 53 Ca 0.35 -0.37 0.04 0.00 -1.36 0.00 0.00 55.97 54.63 2kjs s LYS 53 Cb 0.08 -2.87 -0.04 0.00 -1.68 0.00 0.00 37.83 33.32 2kjs s LYS 53 CO 0.13 0.71 -0.05 -0.06 -0.76 0.00 0.00 175.35 175.32 2kjs s PHE 54 N -0.95 2.92 -0.06 3.18 0.08 -1.26 -5.12 117.98 116.77 2kjs s PHE 54 Ca 0.15 -0.03 -0.08 0.00 0.12 0.00 0.00 56.93 57.09 2kjs s PHE 54 Cb -0.12 -1.59 -0.04 0.00 -0.57 0.00 0.00 43.02 40.70 2kjs s PHE 54 CO 0.04 0.41 0.22 0.00 -0.10 0.00 0.00 175.22 175.79 2kjs s ALA 55 N -1.09 3.85 0.18 5.36 0.00 -1.26 -5.00 121.76 123.80 2kjs s ALA 55 Ca 0.19 -0.57 -0.12 0.00 0.00 0.00 0.00 51.96 51.47 2kjs s ALA 55 Cb -0.11 -2.05 0.09 0.00 0.00 0.00 0.00 23.12 21.04 2kjs s ALA 55 CO 0.10 0.62 1.76 1.25 0.00 0.00 0.00 175.76 179.49 2kjs h LEU 56 N 4.59 0.83 -1.24 0.00 5.85 -2.00 -2.47 115.31 120.87 2kjs h LEU 56 Ca -0.53 -0.14 -0.03 0.00 0.84 0.00 0.00 57.88 58.02 2kjs h LEU 56 Cb 1.22 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 42.01 2kjs h LEU 56 CO 0.61 0.74 0.17 1.23 -0.34 0.00 0.00 178.44 180.85 2kjs h GLY 57 N 0.86 0.74 1.14 3.75 0.00 -1.99 -2.40 103.07 105.17 2kjs h GLY 57 Ca 0.21 -0.38 -0.09 0.00 0.00 0.00 0.00 47.33 47.07 2kjs h GLY 57 CO -0.02 0.36 0.01 -2.09 0.00 0.00 0.00 176.54 174.79 2kjs h GLU 58 N 0.68 1.03 -0.71 4.80 4.57 -1.87 -2.44 114.58 120.65 2kjs h GLU 58 Ca 0.16 -0.31 -0.04 0.00 -1.18 0.00 0.00 59.36 57.99 2kjs h GLU 58 Cb 0.18 -0.10 -0.03 0.00 -0.16 0.00 0.00 28.75 28.64 2kjs h GLU 58 CO -0.01 1.00 0.28 -0.07 -1.18 0.00 0.00 179.01 179.03 2kjs h LEU 59 N 0.94 0.98 -0.14 1.64 3.38 -1.01 -1.77 115.31 119.33 2kjs h LEU 59 Ca 0.17 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2kjs h LEU 59 Cb 0.53 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.03 2kjs h LEU 59 CO 0.03 0.89 0.00 0.00 0.09 0.00 0.00 178.44 179.44 2kjs n GLN 60 N -4.36 0.07 0.00 1.13 3.00 -1.01 -2.28 117.38 113.93 2kjs n GLN 60 Ca 0.05 0.22 0.13 0.00 -0.01 0.00 0.00 57.00 57.39 2kjs n GLN 60 Cb 0.18 -1.61 0.39 0.00 0.00 0.00 0.00 30.24 29.20 2kjs n GLN 60 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.06 178.69 2kjs n LYS 61 N -1.73 0.48 -2.67 -1.09 4.76 -0.67 -4.87 118.16 112.36 2kjs n LYS 61 Ca 0.04 -0.25 -0.41 0.00 -2.87 0.00 0.00 58.31 54.82 2kjs n LYS 61 Cb 0.25 -1.49 -0.05 0.00 -1.84 0.00 0.00 35.03 31.90 2kjs n LYS 61 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2kjs s LEU 62 N -2.69 4.53 0.00 -0.35 1.43 -0.97 -4.90 118.68 115.73 2kjs s LEU 62 Ca 0.20 1.91 0.00 0.00 -1.03 0.00 0.00 54.13 55.21 2kjs s LEU 62 Cb 0.19 -3.60 0.00 0.00 0.03 0.00 0.00 46.19 42.81 2kjs s LEU 62 CO 0.57 -0.05 0.27 0.29 0.23 0.00 0.00 176.35 177.66 2kjs n LYS 63 N 2.35 0.07 -3.52 1.70 5.02 -1.26 -5.07 118.16 117.45 2kjs n LYS 63 Ca 0.01 -0.29 -0.08 0.00 -2.02 0.00 0.00 58.31 55.93 2kjs n LYS 63 Cb 0.48 -0.54 -0.02 0.00 -0.02 0.00 0.00 35.03 34.92 2kjs n LYS 63 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 2kjs s ASN 64 N -0.04 -0.35 0.14 4.39 2.47 -1.26 -4.92 114.94 115.36 2kjs s ASN 64 Ca 0.00 0.05 -0.14 0.00 0.42 0.00 0.00 52.86 53.19 2kjs s ASN 64 Cb 0.00 0.36 0.01 0.00 -1.45 0.00 0.00 41.25 40.18 2kjs s ASN 64 CO 0.00 -0.57 1.64 0.58 -3.72 0.00 0.00 177.10 175.03 2kjs h VAL 65 N 2.06 1.24 -0.97 -5.21 2.07 -1.93 -2.69 116.25 110.83 2kjs h VAL 65 Ca -0.21 -0.84 0.18 0.00 0.82 0.00 0.00 66.70 66.65 2kjs h VAL 65 Cb 1.23 0.90 -0.09 0.00 -1.52 0.00 0.00 31.29 31.81 2kjs h VAL 65 CO 0.30 0.30 0.61 1.23 0.02 0.00 0.00 177.57 180.03 2kjs h GLY 66 N 0.62 1.44 1.23 2.17 0.00 -1.58 0.23 103.07 107.18 2kjs h GLY 66 Ca 0.14 -0.31 -0.04 0.00 0.00 0.00 0.00 47.33 47.12 2kjs h GLY 66 CO 0.00 -0.01 0.24 -0.55 0.00 0.00 0.00 176.54 176.22 2kjs h ASP 67 N 0.67 0.91 -0.67 0.19 3.32 -1.75 -2.20 116.42 116.88 2kjs h ASP 67 Ca 0.53 -0.14 -0.03 0.00 0.02 0.00 0.00 57.03 57.41 2kjs h ASP 67 Cb 0.94 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 40.22 2kjs h ASP 67 CO -0.29 0.83 0.32 0.25 -1.72 0.00 0.00 179.24 178.63 2kjs h LEU 68 N 0.96 0.88 -0.78 1.55 5.85 -0.49 -1.32 115.31 121.96 2kjs h LEU 68 Ca 0.22 -0.14 -0.01 0.00 0.84 0.00 0.00 57.88 58.79 2kjs h LEU 68 Cb 0.23 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 40.99 2kjs h LEU 68 CO -0.01 0.77 0.44 0.00 -0.34 0.00 0.00 178.44 179.29 2kjs h ALA 69 N 1.15 1.00 -0.68 1.25 0.00 -0.95 -1.90 119.26 119.13 2kjs h ALA 69 Ca 0.23 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 54.98 2kjs h ALA 69 Cb 0.13 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.57 2kjs h ALA 69 CO -0.03 0.50 0.24 -0.44 0.00 0.00 0.00 179.25 179.52 2kjs h ASP 70 N 1.08 0.95 -0.83 0.00 3.32 -0.98 -2.39 116.42 117.56 2kjs h ASP 70 Ca 0.28 -0.15 -0.02 0.00 0.02 0.00 0.00 57.03 57.15 2kjs h ASP 70 Cb 0.02 -0.25 -0.04 0.00 0.22 0.00 0.00 39.33 39.28 2kjs h ASP 70 CO -0.05 0.86 0.44 0.25 -1.72 0.00 0.00 179.24 179.02 2kjs h LEU 71 N 1.00 1.05 -0.46 1.55 5.85 -0.58 -1.42 115.31 122.29 2kjs h LEU 71 Ca 0.23 -0.11 0.02 0.00 0.84 0.00 0.00 57.88 58.85 2kjs h LEU 71 Cb 0.24 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 40.97 2kjs h LEU 71 CO -0.01 0.86 0.28 0.58 -0.34 0.00 0.00 178.44 179.80 2kjs h VAL 72 N 1.16 1.06 -0.69 1.05 2.07 -0.87 0.26 116.25 120.29 2kjs h VAL 72 Ca 0.29 -0.19 -0.03 0.00 0.82 0.00 0.00 66.70 67.59 2kjs h VAL 72 Cb 0.06 0.45 -0.03 0.00 -1.52 0.00 0.00 31.29 30.24 2kjs h VAL 72 CO -0.04 0.10 0.33 -0.78 0.02 0.00 0.00 177.57 177.20 2kjs h ASP 73 N 0.56 0.91 -0.58 0.57 3.58 -1.17 -1.16 116.42 119.13 2kjs h ASP 73 Ca 0.18 -0.14 -0.05 0.00 0.42 0.00 0.00 57.03 57.45 2kjs h ASP 73 Cb 0.00 -0.23 -0.02 0.00 1.72 0.00 0.00 39.33 40.79 2kjs h ASP 73 CO -0.08 0.79 0.16 0.11 -2.88 0.00 0.00 179.24 177.34 2kjs h LYS 74 N 0.96 0.91 -0.70 0.28 1.57 -0.63 -1.75 116.57 117.20 2kjs h LYS 74 Ca 0.24 -0.21 -0.02 0.00 -1.87 0.00 0.00 60.65 58.79 2kjs h LYS 74 Cb 0.13 -0.13 -0.03 0.00 0.08 0.00 0.00 32.23 32.28 2kjs h LYS 74 CO -0.03 0.83 0.37 0.87 -0.57 0.00 0.00 179.45 180.93 2kjs h LYS 75 N 0.82 0.98 -0.61 3.15 1.79 -0.15 0.48 116.57 123.04 2kjs h LYS 75 Ca 0.18 -0.12 -0.03 0.00 -2.18 0.00 0.00 60.65 58.51 2kjs h LYS 75 Cb 0.31 -0.19 -0.03 0.00 -1.58 0.00 0.00 32.23 30.75 2kjs h LYS 75 CO -0.00 0.75 0.28 -0.07 -1.08 0.00 0.00 179.45 179.32 2kjs h LEU 76 N 0.97 0.81 -0.12 2.94 3.38 -0.97 -1.89 115.31 120.43 2kjs h LEU 76 Ca 0.25 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 58.07 2kjs h LEU 76 Cb 0.05 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.60 2kjs h LEU 76 CO -0.04 0.73 0.00 0.00 0.09 0.00 0.00 178.44 179.22 2kjs h ALA 77 N 1.11 1.00 -0.23 1.53 0.00 -0.92 -3.02 119.26 118.72 2kjs h ALA 77 Ca 0.21 0.00 -0.11 0.00 0.00 0.00 0.00 54.91 55.01 2kjs h ALA 77 Cb 0.15 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 2kjs h ALA 77 CO -0.02 0.00 -0.28 -0.09 0.00 0.00 0.00 179.25 178.86 2kjs h ARG 78 N 0.00 0.60 0.00 0.00 2.43 0.77 0.67 114.38 118.85 2kjs h ARG 78 Ca 0.00 -0.34 -0.05 0.00 -0.81 0.00 0.00 59.98 58.79 2kjs h ARG 78 Cb 0.74 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.31 2kjs h ARG 78 CO 0.00 0.94 -0.26 1.57 -1.51 0.00 0.00 179.97 180.71 2kjs h LYS 79 N 0.31 0.00 0.00 0.20 2.10 -1.53 -1.49 116.57 116.15 2kjs h LYS 79 Ca 0.03 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.68 2kjs h LYS 79 Cb 0.85 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.18 2kjs h LYS 79 CO 0.07 0.21 -0.73 -0.07 -2.00 0.00 0.00 179.45 176.93 2kjs h LEU 80 N 0.00 0.00 0.00 7.07 3.38 -1.48 -3.41 115.31 120.87 2kjs h LEU 80 Ca -0.00 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.89 2kjs h LEU 80 Cb 1.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.92 2kjs h LEU 80 CO 0.03 0.04 0.00 1.21 0.09 0.00 0.00 178.44 179.81 2kjs n GLU 81 N -2.52 0.00 -4.01 1.13 4.07 0.22 -5.02 120.64 114.52 2kjs n GLU 81 Ca 0.02 0.03 -0.31 0.00 -0.06 0.00 0.00 57.16 56.83 2kjs n GLU 81 Cb 0.51 -0.50 -0.06 0.00 -0.06 0.00 0.00 31.44 31.32 2kjs n GLU 81 CO 0.00 0.00 0.00 -1.01 -0.06 0.00 0.00 177.13 176.06 2kjs s HIS 82 N -0.95 3.34 -0.03 4.31 3.76 -0.57 -5.07 115.29 120.08 2kjs s HIS 82 Ca 0.00 0.18 -0.15 0.00 -0.15 0.00 0.00 55.06 54.95 2kjs s HIS 82 Cb 0.00 -1.71 0.02 0.00 1.11 0.00 0.00 32.58 32.01 2kjs s HIS 82 CO 0.00 0.56 0.32 -3.38 -0.85 0.00 0.00 174.74 171.39 2kjs s HIS 83 N -1.37 -0.21 -0.02 1.40 -3.43 -1.26 -4.06 115.29 106.34 2kjs s HIS 83 Ca 0.29 0.35 -0.21 0.00 -0.80 0.00 0.00 55.06 54.69 2kjs s HIS 83 Cb -0.12 0.10 0.04 0.00 -1.43 0.00 0.00 32.58 31.17 2kjs s HIS 83 CO 0.22 -0.37 0.47 -3.38 -2.00 0.00 0.00 174.74 169.68 2kjs s HIS 84 N -1.14 -0.38 0.17 0.38 -3.43 -1.26 -5.05 115.29 104.58 2kjs s HIS 84 Ca -0.12 0.58 -0.11 0.00 -0.80 0.00 0.00 55.06 54.62 2kjs s HIS 84 Cb -0.05 0.24 0.04 0.00 -1.43 0.00 0.00 32.58 31.38 2kjs s HIS 84 CO 0.04 -0.50 1.61 0.45 -2.00 0.00 0.00 174.74 174.34 2kjs h HIS 85 N 3.39 1.08 -3.43 0.38 3.86 -2.07 -3.46 115.15 114.90 2kjs h HIS 85 Ca -0.29 -0.20 -0.05 0.00 -1.16 0.00 0.00 60.37 58.67 2kjs h HIS 85 Cb 1.17 -0.28 -0.12 0.00 1.06 0.00 0.00 27.41 29.24 2kjs h HIS 85 CO 0.45 0.98 -0.08 -3.38 0.86 0.00 0.00 177.93 176.76 2kjs s HIS 86 N -4.98 -0.12 0.00 2.45 -3.43 -1.26 -5.33 115.29 102.62 2kjs s HIS 86 Ca -0.12 -0.22 0.00 0.00 -0.80 0.00 0.00 55.06 53.92 2kjs s HIS 86 Cb 0.13 0.25 0.00 0.00 -1.43 0.00 0.00 32.58 31.52 2kjs s HIS 86 CO 0.85 -0.75 0.00 0.72 -2.00 0.00 0.00 174.74 173.56