#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 3.75 0.00 0.03 0.04 -1.26 -4.92 135.00 132.64 2kjs s PRO 2 Ca 0.00 0.53 0.00 0.00 0.04 0.00 0.00 61.00 61.57 2kjs s PRO 2 Cb 0.00 -3.86 0.00 0.00 0.04 0.00 0.00 34.50 30.68 2kjs s PRO 2 CO 0.00 -1.16 0.00 2.41 0.04 0.00 0.00 177.00 178.29 2kjs n THR 3 N 6.37 0.00 -0.16 1.26 -1.04 -1.26 -3.99 114.28 115.46 2kjs n THR 3 Ca 0.09 0.46 -0.10 0.00 -2.04 0.00 0.00 64.05 62.46 2kjs n THR 3 Cb 0.48 -1.46 -0.00 0.00 -1.82 0.00 0.00 70.33 67.53 2kjs n THR 3 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 2kjs h LEU 4 N 0.00 0.75 -1.62 -4.42 5.85 -1.91 -2.68 115.31 111.29 2kjs h LEU 4 Ca 0.00 -0.28 -0.04 0.00 0.84 0.00 0.00 57.88 58.40 2kjs h LEU 4 Cb 0.00 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 40.82 2kjs h LEU 4 CO 0.00 0.84 -0.19 -0.78 -0.34 0.00 0.00 178.44 177.97 2kjs h ASP 5 N 0.64 0.00 1.30 1.25 1.82 -1.97 -1.94 116.42 117.53 2kjs h ASP 5 Ca 0.14 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.78 2kjs h ASP 5 Cb 0.42 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.43 2kjs h ASP 5 CO 0.01 0.19 0.00 0.00 -1.61 0.00 0.00 179.24 177.84 2kjs n ALA 6 N -2.31 2.21 1.02 -0.78 0.00 -1.03 -2.99 120.51 116.63 2kjs n ALA 6 Ca -0.01 -0.02 0.12 0.00 0.00 0.00 0.00 53.44 53.52 2kjs n ALA 6 Cb 0.31 -1.46 0.09 0.00 0.00 0.00 0.00 19.45 18.39 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 -2.12 2.63 -0.02 0.00 4.77 -0.74 -4.33 117.00 117.19 2kjs n LEU 7 Ca 0.05 -0.90 -0.17 0.00 -0.03 0.00 0.00 56.01 54.96 2kjs n LEU 7 Cb 0.39 -0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.40 2kjs n LEU 7 CO 0.28 0.45 0.28 0.74 -1.33 0.00 0.00 177.39 177.82 2kjs h THR 8 N 3.90 1.32 0.31 -5.08 2.02 -1.43 -2.78 112.91 111.17 2kjs h THR 8 Ca 0.00 -1.95 -0.01 0.00 0.77 0.00 0.00 66.41 65.21 2kjs h THR 8 Cb 0.90 2.14 -0.00 0.00 -1.74 0.00 0.00 68.15 69.45 2kjs h THR 8 CO 0.00 0.60 -0.18 -0.65 0.37 0.00 0.00 175.52 175.67 2kjs h PRO 9 N 0.34 -0.44 -0.22 6.66 0.11 -1.75 0.51 132.00 137.20 2kjs h PRO 9 Ca -0.06 0.03 -0.02 0.00 0.11 0.00 0.00 66.00 66.06 2kjs h PRO 9 Cb 1.34 0.10 -0.01 0.00 0.11 0.00 0.00 31.00 32.54 2kjs h PRO 9 CO 0.14 -0.29 0.04 0.82 -0.21 0.00 0.00 178.00 178.50 2kjs h ILE 10 N -0.46 1.22 -0.32 4.15 2.04 -1.81 0.62 117.51 122.95 2kjs h ILE 10 Ca -0.03 -0.73 -0.04 0.00 1.00 0.00 0.00 64.86 65.05 2kjs h ILE 10 Cb 0.37 1.29 -0.01 0.00 -0.74 0.00 0.00 36.82 37.72 2kjs h ILE 10 CO 0.04 0.23 0.04 -0.26 0.00 0.00 0.00 178.15 178.20 2kjs h PHE 11 N 0.16 0.59 -0.53 1.37 -1.00 -1.46 -0.35 116.94 115.72 2kjs h PHE 11 Ca 0.07 -0.09 -0.04 0.00 2.81 0.00 0.00 57.97 60.72 2kjs h PHE 11 Cb 0.31 -0.16 -0.02 0.00 3.61 0.00 0.00 35.95 39.69 2kjs h PHE 11 CO 0.02 0.64 0.19 -0.09 -1.61 0.00 0.00 178.31 177.46 2kjs h ARG 12 N 0.37 0.81 -0.05 1.51 2.43 0.06 0.65 114.38 120.16 2kjs h ARG 12 Ca 0.10 -0.16 -0.00 0.00 -0.81 0.00 0.00 59.98 59.10 2kjs h ARG 12 Cb 0.38 -0.13 -0.00 0.00 -0.42 0.00 0.00 29.97 29.80 2kjs h ARG 12 CO 0.01 0.72 0.01 0.37 -1.51 0.00 0.00 179.97 179.57 2kjs h GLN 13 N 0.72 0.07 -0.36 0.20 5.75 -0.77 0.93 115.11 121.66 2kjs h GLN 13 Ca 0.17 -0.02 -0.06 0.00 -0.15 0.00 0.00 58.65 58.59 2kjs h GLN 13 Cb 0.23 -0.01 -0.01 0.00 1.07 0.00 0.00 27.48 28.76 2kjs h GLN 13 CO -0.01 0.28 -0.03 0.28 -2.65 0.00 0.00 178.83 176.71 2kjs h VAL 14 N -0.15 1.27 -1.04 2.39 2.07 -0.96 -3.14 116.25 116.68 2kjs h VAL 14 Ca 0.01 -1.04 -0.64 0.00 0.82 0.00 0.00 66.70 65.85 2kjs h VAL 14 Cb 0.24 1.22 -0.34 0.00 -1.52 0.00 0.00 31.29 30.89 2kjs h VAL 14 CO 0.00 0.34 0.29 0.49 0.02 0.00 0.00 177.57 178.72 2kjs n PHE 15 N -4.46 3.08 -0.44 1.57 3.72 0.23 -4.89 117.46 116.26 2kjs n PHE 15 Ca -0.02 -2.73 -0.17 0.00 -0.05 0.00 0.00 57.45 54.48 2kjs n PHE 15 Cb 0.30 -1.02 -0.02 0.00 -0.94 0.00 0.00 39.48 37.79 2kjs n PHE 15 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 2kjs n ASP 16 N -0.80 2.14 -4.31 4.37 -0.08 0.32 -4.67 116.55 113.51 2kjs n ASP 16 Ca 0.55 -2.24 -0.41 0.00 -1.51 0.00 0.00 54.79 51.19 2kjs n ASP 16 Cb 0.72 -0.78 -0.10 0.00 2.34 0.00 0.00 41.12 43.30 2kjs n ASP 16 CO 0.00 0.00 0.00 1.51 0.12 0.00 0.00 177.20 178.83 2kjs s ASP 17 N 4.65 5.71 0.00 1.67 -4.77 -1.26 -4.93 116.67 117.73 2kjs s ASP 17 Ca 0.28 -1.31 0.00 0.00 -3.30 0.00 0.00 52.55 48.21 2kjs s ASP 17 Cb 0.07 -2.01 0.00 0.00 -1.09 0.00 0.00 42.92 39.88 2kjs s ASP 17 CO 0.04 -0.49 0.00 -0.67 0.70 0.00 0.00 175.17 174.75 2kjs n ASP 18 N 4.97 0.00 -3.25 2.11 2.03 -1.26 -3.56 116.55 117.59 2kjs n ASP 18 Ca -0.11 0.00 -0.05 0.00 0.52 0.00 0.00 54.79 55.15 2kjs n ASP 18 Cb 0.44 0.00 -0.04 0.00 -0.72 0.00 0.00 41.12 40.80 2kjs n ASP 18 CO 0.00 0.00 0.00 -0.55 -1.92 0.00 0.00 177.20 174.73 2kjs s SER 19 N -4.00 -0.28 -0.07 1.67 0.15 -1.26 -5.14 113.70 104.77 2kjs s SER 19 Ca 0.00 -0.17 -0.17 0.00 0.70 0.00 0.00 55.95 56.31 2kjs s SER 19 Cb 0.00 1.41 -0.05 0.00 -1.71 0.00 0.00 66.02 65.68 2kjs s SER 19 CO 0.00 -0.33 0.44 -0.51 1.20 0.00 0.00 173.24 174.04 2kjs s ILE 20 N 2.64 5.12 -0.10 6.45 2.07 -1.23 -5.08 121.20 131.07 2kjs s ILE 20 Ca 0.10 0.89 0.02 0.00 -1.41 0.00 0.00 60.65 60.25 2kjs s ILE 20 Cb -0.12 -3.77 -0.02 0.00 0.13 0.00 0.00 42.46 38.69 2kjs s ILE 20 CO -0.28 0.43 -0.16 0.68 -1.91 0.00 0.00 174.94 173.70 2kjs s VAL 21 N -0.05 2.84 -0.12 4.00 -7.23 -1.26 -5.00 120.40 113.58 2kjs s VAL 21 Ca 0.24 -0.76 -0.02 0.00 -1.81 0.00 0.00 61.98 59.63 2kjs s VAL 21 Cb -0.16 -2.15 -0.03 0.00 0.56 0.00 0.00 36.38 34.60 2kjs s VAL 21 CO 0.11 0.55 -0.03 -0.76 -0.31 0.00 0.00 175.10 174.66 2kjs s LEU 22 N 0.06 3.34 0.16 1.32 1.43 -1.26 -5.04 118.68 118.69 2kjs s LEU 22 Ca -0.06 -0.03 -0.01 0.00 -1.03 0.00 0.00 54.13 53.00 2kjs s LEU 22 Cb -0.15 -1.78 -0.04 0.00 0.03 0.00 0.00 46.19 44.26 2kjs s LEU 22 CO 0.05 0.27 0.10 0.42 0.23 0.00 0.00 176.35 177.41 2kjs s THR 23 N -0.23 0.05 0.28 5.49 -4.23 -1.26 -5.01 115.64 110.73 2kjs s THR 23 Ca 0.04 -1.94 -0.02 0.00 -1.18 0.00 0.00 61.69 58.59 2kjs s THR 23 Cb -0.13 -2.26 0.21 0.00 1.34 0.00 0.00 72.50 71.66 2kjs s THR 23 CO 0.02 -0.24 1.89 0.03 -0.54 0.00 0.00 174.62 175.78 2kjs h ARG 24 N 2.74 0.99 -0.00 3.99 3.08 -1.99 -0.95 114.38 122.25 2kjs h ARG 24 Ca -0.35 -0.13 0.00 0.00 0.07 0.00 0.00 59.98 59.57 2kjs h ARG 24 Cb 1.22 -0.19 0.00 0.00 0.08 0.00 0.00 29.97 31.08 2kjs h ARG 24 CO 0.56 0.76 -0.00 0.39 -1.07 0.00 0.00 179.97 180.60 2kjs n GLU 25 N -4.34 0.31 -1.84 0.04 -0.58 -1.26 -4.32 120.64 108.65 2kjs n GLU 25 Ca 0.07 -0.00 -0.42 0.00 -0.42 0.00 0.00 57.16 56.39 2kjs n GLU 25 Cb 0.13 -1.50 -0.02 0.00 -0.57 0.00 0.00 31.44 29.47 2kjs n GLU 25 CO 0.00 0.00 0.00 0.99 -0.48 0.00 0.00 177.13 177.64 2kjs s THR 26 N -2.70 2.27 0.12 2.62 2.01 -0.36 -5.00 115.64 114.60 2kjs s THR 26 Ca 0.24 0.22 -0.03 0.00 0.31 0.00 0.00 61.69 62.43 2kjs s THR 26 Cb 0.20 -3.14 -0.03 0.00 0.01 0.00 0.00 72.50 69.54 2kjs s THR 26 CO 0.48 0.03 0.08 -0.44 -0.69 0.00 0.00 174.62 174.08 2kjs s SER 27 N 0.71 0.30 0.34 3.53 0.01 -1.26 -4.13 113.70 113.20 2kjs s SER 27 Ca 0.66 -1.09 0.02 0.00 1.31 0.00 0.00 55.95 56.84 2kjs s SER 27 Cb -0.46 0.30 0.59 0.00 0.21 0.00 0.00 66.02 66.66 2kjs s SER 27 CO 0.41 -0.73 1.98 0.00 0.41 0.00 0.00 173.24 175.32 2kjs h ALA 28 N 2.87 1.49 -0.77 1.44 0.00 -1.94 -1.86 119.26 120.50 2kjs h ALA 28 Ca -0.34 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.45 2kjs h ALA 28 Cb 1.19 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.69 2kjs h ALA 28 CO 0.59 0.45 0.30 -0.91 0.00 0.00 0.00 179.25 179.67 2kjs h ASN 29 N 0.86 1.06 -0.69 0.00 -0.26 -1.99 -2.68 115.58 111.89 2kjs h ASN 29 Ca 0.23 -0.16 -0.00 0.00 -0.56 0.00 0.00 56.30 55.80 2kjs h ASN 29 Cb -0.05 -0.27 -0.03 0.00 -1.06 0.00 0.00 38.32 36.91 2kjs h ASN 29 CO -0.04 0.94 0.41 0.44 -1.06 0.00 0.00 177.43 178.12 2kjs h ASP 30 N 1.12 0.82 -3.55 5.81 3.32 -1.74 -3.39 116.42 118.82 2kjs h ASP 30 Ca 0.26 -0.06 -0.67 0.00 0.02 0.00 0.00 57.03 56.57 2kjs h ASP 30 Cb 0.22 -0.21 -0.28 0.00 0.22 0.00 0.00 39.33 39.27 2kjs h ASP 30 CO -0.02 0.64 -0.68 -0.51 -1.72 0.00 0.00 179.24 176.96 2kjs s ILE 31 N -5.98 3.51 -0.73 0.35 2.07 -1.01 -4.95 121.20 114.46 2kjs s ILE 31 Ca -0.13 -0.79 0.26 0.00 -1.41 0.00 0.00 60.65 58.58 2kjs s ILE 31 Cb 0.14 -2.78 0.27 0.00 0.13 0.00 0.00 42.46 40.22 2kjs s ILE 31 CO 0.78 0.16 1.77 0.47 -1.91 0.00 0.00 174.94 176.21 2kjs n ASP 32 N 4.79 0.66 -0.16 4.50 8.00 -1.25 -3.39 116.55 129.69 2kjs n ASP 32 Ca -0.16 0.58 0.00 0.00 0.71 0.00 0.00 54.79 55.93 2kjs n ASP 32 Cb 0.48 -0.75 0.00 0.00 -0.02 0.00 0.00 41.12 40.83 2kjs n ASP 32 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2kjs n ALA 33 N -1.74 1.78 -3.33 2.24 0.00 -1.26 -4.42 120.51 113.78 2kjs n ALA 33 Ca 0.05 0.00 -0.47 0.00 0.00 0.00 0.00 53.44 53.02 2kjs n ALA 33 Cb 0.37 -1.00 -0.03 0.00 0.00 0.00 0.00 19.45 18.79 2kjs n ALA 33 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 177.50 177.04 2kjs s TRP 34 N -1.68 3.61 0.37 0.00 -0.11 -1.22 -5.05 118.94 114.86 2kjs s TRP 34 Ca 0.00 -1.79 -0.24 0.00 1.22 0.00 0.00 56.10 55.29 2kjs s TRP 34 Cb 0.00 -3.81 -0.10 0.00 -1.50 0.00 0.00 33.47 28.06 2kjs s TRP 34 CO 0.00 -1.00 0.98 -0.51 -4.62 0.00 0.00 176.95 171.80 2kjs s ASP 35 N 2.58 7.06 0.17 5.86 1.01 -1.26 -4.96 116.67 127.12 2kjs s ASP 35 Ca 0.13 1.85 -0.13 0.00 0.71 0.00 0.00 52.55 55.12 2kjs s ASP 35 Cb -0.16 -2.57 0.07 0.00 1.01 0.00 0.00 42.92 41.27 2kjs s ASP 35 CO -0.05 -0.27 1.78 0.28 0.21 0.00 0.00 175.17 177.11 2kjs h SER 36 N 2.63 0.71 -0.49 0.27 0.02 -1.97 -2.81 113.55 111.90 2kjs h SER 36 Ca -0.48 -0.10 -0.05 0.00 -0.84 0.00 0.00 61.79 60.32 2kjs h SER 36 Cb 1.20 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 63.53 2kjs h SER 36 CO 0.63 0.60 0.10 0.25 -1.14 0.00 0.00 176.83 177.28 2kjs h LEU 37 N 0.76 0.77 -2.25 5.07 7.12 -2.03 -2.19 115.31 122.56 2kjs h LEU 37 Ca 0.20 -0.24 0.00 0.00 0.13 0.00 0.00 57.88 57.96 2kjs h LEU 37 Cb 0.06 -0.20 0.00 0.00 -0.53 0.00 0.00 40.66 39.98 2kjs h LEU 37 CO -0.03 0.81 0.18 -1.28 -0.13 0.00 0.00 178.44 178.00 2kjs h SER 38 N 0.69 0.00 -0.54 1.25 0.87 -1.90 -0.19 113.55 113.73 2kjs h SER 38 Ca 0.15 0.00 -0.08 0.00 -1.23 0.00 0.00 61.79 60.63 2kjs h SER 38 Cb 0.36 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.30 2kjs h SER 38 CO 0.01 0.00 0.01 -0.74 -0.53 0.00 0.00 176.83 175.58 2kjs h HIS 39 N 0.00 1.02 -0.53 2.24 -0.00 -1.25 -2.15 115.15 114.48 2kjs h HIS 39 Ca 0.00 -0.17 -0.00 0.00 -0.00 0.00 0.00 60.37 60.19 2kjs h HIS 39 Cb 0.37 -0.27 -0.03 0.00 -0.00 0.00 0.00 27.41 27.48 2kjs h HIS 39 CO 0.00 0.93 0.31 1.98 -0.00 0.00 0.00 177.93 181.15 2kjs h MET 40 N 0.81 0.72 -0.79 5.26 -1.53 -1.14 -1.78 114.93 116.49 2kjs h MET 40 Ca 0.15 -0.07 -0.05 0.00 -3.44 0.00 0.00 59.70 56.30 2kjs h MET 40 Cb 0.51 -0.15 -0.03 0.00 -0.55 0.00 0.00 31.60 31.38 2kjs h MET 40 CO 0.02 0.53 0.30 -0.97 0.14 0.00 0.00 176.91 176.94 2kjs h ASN 41 N 0.71 1.10 -0.73 1.39 -0.73 -1.57 -2.31 115.58 113.43 2kjs h ASN 41 Ca 0.19 -0.18 -0.02 0.00 1.87 0.00 0.00 56.30 58.16 2kjs h ASN 41 Cb 0.00 -0.28 -0.03 0.00 0.27 0.00 0.00 38.32 38.27 2kjs h ASN 41 CO -0.03 0.98 0.38 0.25 -0.37 0.00 0.00 177.43 178.63 2kjs h LEU 42 N 1.15 0.93 -0.62 0.34 7.12 -0.97 -2.04 115.31 121.22 2kjs h LEU 42 Ca 0.26 -0.11 -0.03 0.00 0.13 0.00 0.00 57.88 58.13 2kjs h LEU 42 Cb 0.23 -0.24 -0.03 0.00 -0.53 0.00 0.00 40.66 40.10 2kjs h LEU 42 CO -0.02 0.78 0.28 0.40 -0.13 0.00 0.00 178.44 179.75 2kjs h ILE 43 N 1.01 1.22 -0.51 4.05 2.04 -1.00 -2.18 117.51 122.13 2kjs h ILE 43 Ca 0.25 -0.64 0.00 0.00 1.00 0.00 0.00 64.86 65.48 2kjs h ILE 43 Cb 0.07 0.50 -0.02 0.00 -0.74 0.00 0.00 36.82 36.63 2kjs h ILE 43 CO -0.04 0.26 0.32 0.58 0.00 0.00 0.00 178.15 179.27 2kjs h VAL 44 N 0.85 1.15 -0.54 1.67 2.07 -1.07 -0.52 116.25 119.85 2kjs h VAL 44 Ca 0.21 -0.30 0.02 0.00 0.82 0.00 0.00 66.70 67.44 2kjs h VAL 44 Cb 0.14 0.43 -0.03 0.00 -1.52 0.00 0.00 31.29 30.31 2kjs h VAL 44 CO -0.02 0.14 0.34 0.28 0.02 0.00 0.00 177.57 178.33 2kjs h SER 45 N 0.69 0.57 -0.59 0.57 0.02 -1.12 -1.17 113.55 112.52 2kjs h SER 45 Ca 0.18 -0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 61.08 2kjs h SER 45 Cb -0.04 -0.13 -0.02 0.00 0.14 0.00 0.00 62.40 62.35 2kjs h SER 45 CO -0.04 0.41 0.16 -0.07 -1.14 0.00 0.00 176.83 176.15 2kjs h LEU 46 N 0.69 0.88 0.05 5.07 3.38 -1.06 0.18 115.31 124.49 2kjs h LEU 46 Ca 0.21 -0.22 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 2kjs h LEU 46 Cb -0.02 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.49 2kjs h LEU 46 CO -0.07 0.87 -0.03 -0.08 0.09 0.00 0.00 178.44 179.22 2kjs h GLU 47 N 0.85 -0.07 -0.45 1.13 4.81 -0.66 -0.31 114.58 119.88 2kjs h GLU 47 Ca 0.19 0.00 -0.09 0.00 -0.13 0.00 0.00 59.36 59.33 2kjs h GLU 47 Cb 0.32 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.70 2kjs h GLU 47 CO -0.00 -0.04 -0.07 0.28 -0.73 0.00 0.00 179.01 178.44 2kjs h VAL 48 N -0.07 1.27 -0.21 0.32 2.07 -1.14 1.69 116.25 120.18 2kjs h VAL 48 Ca -0.01 -1.17 0.02 0.00 0.82 0.00 0.00 66.70 66.36 2kjs h VAL 48 Cb 0.05 1.10 -0.02 0.00 -1.52 0.00 0.00 31.29 30.91 2kjs h VAL 48 CO 0.01 0.40 0.09 -0.74 0.02 0.00 0.00 177.57 177.35 2kjs h HIS 49 N 0.69 0.16 0.00 1.57 -0.00 -0.46 -2.72 115.15 114.40 2kjs h HIS 49 Ca 0.12 0.01 0.00 0.00 -0.00 0.00 0.00 60.37 60.50 2kjs h HIS 49 Cb 0.60 -0.04 0.00 0.00 -0.00 0.00 0.00 27.41 27.97 2kjs h HIS 49 CO 0.05 0.09 -0.65 0.66 -0.00 0.00 0.00 177.93 178.07 2kjs n TYR 50 N -5.02 0.01 -3.54 5.26 4.01 -0.14 -4.99 117.16 112.75 2kjs n TYR 50 Ca -0.03 0.00 -0.24 0.00 -0.16 0.00 0.00 57.90 57.47 2kjs n TYR 50 Cb 0.07 -0.19 0.05 0.00 -0.31 0.00 0.00 39.34 38.96 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 -1.51 -2.19 -0.31 -0.72 5.02 0.57 -5.00 118.16 114.02 2kjs n LYS 51 Ca 0.05 0.62 0.00 0.00 -2.02 0.00 0.00 58.31 56.96 2kjs n LYS 51 Cb 0.34 -4.87 0.00 0.00 -0.02 0.00 0.00 35.03 30.48 2kjs n LYS 51 CO 0.00 0.00 0.00 0.44 -0.52 0.00 0.00 177.40 177.32 2kjs n ILE 52 N -3.88 0.00 -4.14 -0.18 -5.35 -0.78 -5.02 119.36 100.00 2kjs n ILE 52 Ca -0.12 0.00 -0.20 0.00 -0.27 0.00 0.00 62.75 62.16 2kjs n ILE 52 Cb 0.62 0.00 -0.16 0.00 -1.74 0.00 0.00 39.64 38.35 2kjs n ILE 52 CO 0.00 0.00 0.00 -0.75 -1.76 0.00 0.00 176.55 174.04 2kjs s LYS 53 N 0.54 0.79 -0.04 6.28 2.20 -1.26 -4.86 119.74 123.40 2kjs s LYS 53 Ca 0.00 -0.09 -0.03 0.00 -0.36 0.00 0.00 55.97 55.49 2kjs s LYS 53 Cb 0.00 -0.82 -0.04 0.00 -1.51 0.00 0.00 37.83 35.46 2kjs s LYS 53 CO 0.00 -0.09 0.14 -0.06 -0.36 0.00 0.00 175.35 174.98 2kjs s PHE 54 N 0.94 3.48 -0.24 4.03 0.08 -1.26 -5.09 117.98 119.92 2kjs s PHE 54 Ca -0.11 0.36 -0.02 0.00 0.12 0.00 0.00 56.93 57.28 2kjs s PHE 54 Cb -0.14 -1.83 0.02 0.00 -0.57 0.00 0.00 43.02 40.49 2kjs s PHE 54 CO -0.00 0.64 -0.07 0.00 -0.10 0.00 0.00 175.22 175.69 2kjs s ALA 55 N -1.20 2.70 0.36 5.36 0.00 -1.26 -4.99 121.76 122.73 2kjs s ALA 55 Ca 0.23 -1.36 0.17 0.00 0.00 0.00 0.00 51.96 50.99 2kjs s ALA 55 Cb -0.12 -1.65 1.11 0.00 0.00 0.00 0.00 23.12 22.46 2kjs s ALA 55 CO 0.13 -0.67 1.68 1.25 0.00 0.00 0.00 175.76 178.16 2kjs h LEU 56 N 8.04 0.49 -0.85 0.00 5.85 -1.98 0.71 115.31 127.56 2kjs h LEU 56 Ca -0.36 0.16 0.01 0.00 0.84 0.00 0.00 57.88 58.52 2kjs h LEU 56 Cb 1.12 0.10 -0.04 0.00 0.37 0.00 0.00 40.66 42.21 2kjs h LEU 56 CO 0.59 -0.07 0.56 1.23 -0.34 0.00 0.00 178.44 180.41 2kjs h GLY 57 N 0.34 1.20 0.75 3.75 0.00 -1.99 0.23 103.07 107.35 2kjs h GLY 57 Ca 0.71 -0.45 -0.07 0.00 0.00 0.00 0.00 47.33 47.52 2kjs h GLY 57 CO -0.51 0.44 -0.18 -2.09 0.00 0.00 0.00 176.54 174.20 2kjs h GLU 58 N 1.16 0.38 -0.75 4.80 4.81 -0.06 -3.16 114.58 121.76 2kjs h GLU 58 Ca 0.31 -0.21 -0.03 0.00 -0.13 0.00 0.00 59.36 59.30 2kjs h GLU 58 Cb -0.13 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.23 2kjs h GLU 58 CO -0.07 0.78 0.36 -0.07 -0.73 0.00 0.00 179.01 179.28 2kjs h LEU 59 N 0.00 0.97 -0.94 1.64 -0.00 -0.92 -2.36 115.31 113.69 2kjs h LEU 59 Ca 0.02 -0.11 0.16 0.00 -0.00 0.00 0.00 57.88 57.95 2kjs h LEU 59 Cb 0.73 -0.25 -0.10 0.00 -0.00 0.00 0.00 40.66 41.04 2kjs h LEU 59 CO 0.04 0.82 0.54 -0.61 -0.00 0.00 0.00 178.44 179.23 2kjs h GLN 60 N 1.06 0.72 -0.60 1.13 5.75 -0.52 0.11 115.11 122.76 2kjs h GLN 60 Ca 0.26 -0.04 -0.09 0.00 -0.15 0.00 0.00 58.65 58.62 2kjs h GLN 60 Cb 0.11 -0.16 -0.02 0.00 1.07 0.00 0.00 27.48 28.48 2kjs h GLN 60 CO -0.03 0.47 0.01 0.87 -2.65 0.00 0.00 178.83 177.50 2kjs h LYS 61 N 0.74 1.05 -6.95 1.69 1.79 -1.42 -3.43 116.57 110.04 2kjs h LYS 61 Ca 0.52 -0.33 -0.52 0.00 -2.18 0.00 0.00 60.65 58.13 2kjs h LYS 61 Cb 0.74 -0.10 0.08 0.00 -1.58 0.00 0.00 32.23 31.37 2kjs h LYS 61 CO -0.36 1.03 0.60 -0.51 -1.08 0.00 0.00 179.45 179.13 2kjs s LEU 62 N -9.36 4.20 -0.01 2.94 1.02 0.02 -4.92 118.68 112.59 2kjs s LEU 62 Ca -0.12 2.63 0.02 0.00 0.02 0.00 0.00 54.13 56.68 2kjs s LEU 62 Cb 0.13 -3.92 0.04 0.00 0.02 0.00 0.00 46.19 42.46 2kjs s LEU 62 CO 0.85 -0.85 1.02 2.29 0.02 0.00 0.00 176.35 179.69 2kjs n LYS 63 N 0.10 0.03 -3.57 1.70 2.85 -1.26 -4.95 118.16 113.04 2kjs n LYS 63 Ca 0.04 -1.08 -0.15 0.00 -1.05 0.00 0.00 58.31 56.06 2kjs n LYS 63 Cb 0.44 0.46 -0.06 0.00 -0.65 0.00 0.00 35.03 35.22 2kjs n LYS 63 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 177.40 178.56 2kjs s ASN 64 N -1.08 -0.49 0.14 -5.58 2.47 -1.26 -4.99 114.94 104.14 2kjs s ASN 64 Ca 0.03 0.33 -0.15 0.00 0.42 0.00 0.00 52.86 53.49 2kjs s ASN 64 Cb 0.04 0.49 0.01 0.00 -1.45 0.00 0.00 41.25 40.33 2kjs s ASN 64 CO -0.02 -0.66 1.68 0.58 -3.72 0.00 0.00 177.10 174.96 2kjs h VAL 65 N 2.95 1.20 -0.99 -5.21 2.07 -1.87 -2.61 116.25 111.79 2kjs h VAL 65 Ca -0.30 -0.64 0.05 0.00 0.82 0.00 0.00 66.70 66.63 2kjs h VAL 65 Cb 1.19 0.83 -0.06 0.00 -1.52 0.00 0.00 31.29 31.72 2kjs h VAL 65 CO 0.40 0.23 0.65 1.23 0.02 0.00 0.00 177.57 180.10 2kjs h GLY 66 N 0.55 1.48 1.06 2.17 0.00 -1.84 -1.52 103.07 104.96 2kjs h GLY 66 Ca 0.14 -0.48 -0.04 0.00 0.00 0.00 0.00 47.33 46.95 2kjs h GLY 66 CO -0.01 0.39 0.38 -0.55 0.00 0.00 0.00 176.54 176.74 2kjs h ASP 67 N 1.22 1.10 -0.73 0.19 3.32 -1.89 -2.47 116.42 117.16 2kjs h ASP 67 Ca 0.41 -0.14 -0.03 0.00 0.02 0.00 0.00 57.03 57.29 2kjs h ASP 67 Cb 0.08 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 39.31 2kjs h ASP 67 CO -0.14 0.94 0.33 0.25 -1.72 0.00 0.00 179.24 178.90 2kjs h LEU 68 N 1.19 0.96 -1.06 1.55 5.85 -0.94 -2.36 115.31 120.50 2kjs h LEU 68 Ca 0.28 -0.14 0.01 0.00 0.84 0.00 0.00 57.88 58.87 2kjs h LEU 68 Cb 0.15 -0.25 -0.05 0.00 0.37 0.00 0.00 40.66 40.88 2kjs h LEU 68 CO -0.03 0.84 0.64 0.00 -0.34 0.00 0.00 178.44 179.54 2kjs h ALA 69 N 1.16 1.32 -0.34 1.25 0.00 -0.95 -1.56 119.26 120.14 2kjs h ALA 69 Ca 0.25 -0.07 -0.06 0.00 0.00 0.00 0.00 54.91 55.03 2kjs h ALA 69 Cb 0.14 -0.39 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 2kjs h ALA 69 CO -0.03 0.63 -0.06 -0.44 0.00 0.00 0.00 179.25 179.36 2kjs h ASP 70 N 1.30 0.54 -0.67 0.00 3.32 -1.06 -2.68 116.42 117.17 2kjs h ASP 70 Ca 0.35 -0.12 -0.01 0.00 0.02 0.00 0.00 57.03 57.27 2kjs h ASP 70 Cb -0.15 -0.14 -0.03 0.00 0.22 0.00 0.00 39.33 39.23 2kjs h ASP 70 CO -0.08 0.65 0.37 0.25 -1.72 0.00 0.00 179.24 178.71 2kjs h LEU 71 N 0.53 0.83 -0.35 1.55 5.85 -0.79 0.74 115.31 123.67 2kjs h LEU 71 Ca 0.10 -0.09 -0.01 0.00 0.84 0.00 0.00 57.88 58.73 2kjs h LEU 71 Cb 0.43 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.23 2kjs h LEU 71 CO 0.02 0.68 0.19 0.58 -0.34 0.00 0.00 178.44 179.57 2kjs h VAL 72 N 0.91 1.14 -0.71 1.05 2.07 -1.16 0.04 116.25 119.60 2kjs h VAL 72 Ca 0.24 -0.38 -0.06 0.00 0.82 0.00 0.00 66.70 67.32 2kjs h VAL 72 Cb 0.03 0.75 -0.03 0.00 -1.52 0.00 0.00 31.29 30.52 2kjs h VAL 72 CO -0.04 0.15 0.21 -0.78 0.02 0.00 0.00 177.57 177.13 2kjs h ASP 73 N 0.44 1.04 -0.36 0.57 3.58 -1.23 -0.53 116.42 119.94 2kjs h ASP 73 Ca 0.12 -0.22 -0.01 0.00 0.42 0.00 0.00 57.03 57.35 2kjs h ASP 73 Cb 0.07 -0.27 -0.02 0.00 1.72 0.00 0.00 39.33 40.83 2kjs h ASP 73 CO -0.02 0.98 0.19 0.50 -2.88 0.00 0.00 179.24 178.01 2kjs h LYS 74 N 1.05 0.50 -0.32 0.28 3.64 -0.51 0.39 116.57 121.61 2kjs h LYS 74 Ca 0.23 -0.06 -0.03 0.00 -1.27 0.00 0.00 60.65 59.52 2kjs h LYS 74 Cb 0.32 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.03 2kjs h LYS 74 CO -0.00 0.43 0.09 0.87 -2.27 0.00 0.00 179.45 178.57 2kjs h LYS 75 N 0.45 0.50 -0.67 1.90 1.79 -0.78 -2.63 116.57 117.13 2kjs h LYS 75 Ca 0.13 -0.11 -0.07 0.00 -2.18 0.00 0.00 60.65 58.42 2kjs h LYS 75 Cb 0.08 -0.07 -0.03 0.00 -1.58 0.00 0.00 32.23 30.63 2kjs h LYS 75 CO -0.02 0.55 0.16 -0.07 -1.08 0.00 0.00 179.45 178.99 2kjs h LEU 76 N 0.36 1.01 -0.31 2.94 3.38 -0.90 -1.99 115.31 119.80 2kjs h LEU 76 Ca 0.10 -0.23 0.06 0.00 0.09 0.00 0.00 57.88 57.90 2kjs h LEU 76 Cb 0.26 -0.27 -0.06 0.00 0.09 0.00 0.00 40.66 40.68 2kjs h LEU 76 CO -0.00 0.98 -0.06 0.00 0.09 0.00 0.00 178.44 179.45 2kjs h ALA 77 N 1.07 0.23 -0.49 1.53 0.00 -0.04 0.11 119.26 121.66 2kjs h ALA 77 Ca 0.21 0.11 -0.08 0.00 0.00 0.00 0.00 54.91 55.15 2kjs h ALA 77 Cb 0.37 0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 2kjs h ALA 77 CO 0.00 -0.45 -0.03 0.00 0.00 0.00 0.00 179.25 178.77 2kjs h ARG 78 N 0.02 0.83 -0.78 0.00 3.08 -1.34 -2.45 114.38 113.74 2kjs h ARG 78 Ca 0.15 -0.25 -0.02 0.00 0.07 0.00 0.00 59.98 59.93 2kjs h ARG 78 Cb 0.22 -0.09 -0.04 0.00 0.08 0.00 0.00 29.97 30.15 2kjs h ARG 78 CO -0.30 0.86 0.40 -0.22 -1.07 0.00 0.00 179.97 179.64 2kjs h LYS 79 N 0.77 1.10 -0.62 0.04 3.64 -0.51 0.66 116.57 121.64 2kjs h LYS 79 Ca 0.14 -0.14 -0.04 0.00 -1.27 0.00 0.00 60.65 59.34 2kjs h LYS 79 Cb 0.51 -0.21 -0.03 0.00 -0.41 0.00 0.00 32.23 32.10 2kjs h LYS 79 CO 0.03 0.83 0.25 -0.07 -2.27 0.00 0.00 179.45 178.21 2kjs h LEU 80 N 1.08 0.86 -5.27 5.20 3.38 -0.55 -3.41 115.31 116.59 2kjs h LEU 80 Ca 0.27 -0.17 -0.03 0.00 0.09 0.00 0.00 57.88 58.04 2kjs h LEU 80 Cb 0.07 -0.22 -0.17 0.00 0.09 0.00 0.00 40.66 40.43 2kjs h LEU 80 CO -0.04 0.79 -0.30 -1.83 0.09 0.00 0.00 178.44 177.15 2kjs s GLU 81 N -5.55 0.59 0.57 1.13 -1.05 -0.95 -5.00 118.70 108.44 2kjs s GLU 81 Ca -0.13 -0.44 0.29 0.00 -0.15 0.00 0.00 54.97 54.54 2kjs s GLU 81 Cb 0.13 0.01 1.70 0.00 -0.44 0.00 0.00 34.13 35.53 2kjs s GLU 81 CO 0.80 -0.78 2.20 1.12 0.95 0.00 0.00 175.26 179.54 2kjs h HIS 82 N 5.33 0.00 -4.16 4.83 2.07 0.13 -3.43 115.15 119.92 2kjs h HIS 82 Ca 0.02 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.54 2kjs h HIS 82 Cb 1.17 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.15 2kjs h HIS 82 CO 0.02 0.04 -0.93 1.58 -3.07 0.00 0.00 177.93 175.57 2kjs n HIS 83 N -3.78 -4.64 -3.98 6.12 -0.00 -1.26 -5.01 115.22 102.66 2kjs n HIS 83 Ca -0.03 2.42 -0.09 0.00 -0.00 0.00 0.00 57.72 60.03 2kjs n HIS 83 Cb 0.13 -3.55 -0.05 0.00 -0.00 0.00 0.00 29.99 26.53 2kjs n HIS 83 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2kjs s HIS 84 N -2.19 0.29 -1.07 1.57 2.46 -1.26 -5.02 115.29 110.06 2kjs s HIS 84 Ca 0.00 -0.66 0.25 0.00 0.47 0.00 0.00 55.06 55.12 2kjs s HIS 84 Cb 0.00 0.27 1.09 0.00 -0.13 0.00 0.00 32.58 33.80 2kjs s HIS 84 CO 0.00 -1.03 1.80 0.72 -2.47 0.00 0.00 174.74 173.76 2kjs n HIS 85 N -0.39 0.00 0.00 3.88 8.25 -1.26 -4.96 115.22 120.73 2kjs n HIS 85 Ca -0.02 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.44 2kjs n HIS 85 Cb 0.61 -0.46 0.00 0.00 1.12 0.00 0.00 29.99 31.26 2kjs n HIS 85 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2kjs n HIS 86 N -1.46 0.00 -0.15 4.41 -0.00 -1.26 -5.37 115.22 111.39 2kjs n HIS 86 Ca 0.07 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.25 2kjs n HIS 86 Cb 0.27 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.14 2kjs n HIS 86 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52