#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 3.85 0.00 2.12 0.04 -1.26 -4.96 135.00 134.79 2kjs s PRO 2 Ca 0.00 0.49 0.00 0.00 0.04 0.00 0.00 61.00 61.53 2kjs s PRO 2 Cb 0.00 -3.78 0.00 0.00 0.04 0.00 0.00 34.50 30.76 2kjs s PRO 2 CO 0.00 -0.82 0.00 2.41 0.04 0.00 0.00 177.00 178.63 2kjs n THR 3 N 5.76 0.00 0.07 1.26 -1.04 -1.26 -4.09 114.28 114.98 2kjs n THR 3 Ca 0.05 0.45 -0.03 0.00 -2.04 0.00 0.00 64.05 62.48 2kjs n THR 3 Cb 0.48 -1.40 -0.07 0.00 -1.82 0.00 0.00 70.33 67.52 2kjs n THR 3 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 2kjs h LEU 4 N 0.00 0.00 -1.43 -4.42 3.38 -1.95 -3.23 115.31 107.66 2kjs h LEU 4 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2kjs h LEU 4 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 2kjs h LEU 4 CO 0.00 0.76 0.00 0.44 0.09 0.00 0.00 178.44 179.73 2kjs h ASP 5 N 0.00 0.00 0.20 -0.43 3.32 -1.96 0.59 116.42 118.14 2kjs h ASP 5 Ca -0.07 0.00 -0.35 0.00 0.02 0.00 0.00 57.03 56.63 2kjs h ASP 5 Cb 1.65 0.00 0.02 0.00 0.22 0.00 0.00 39.33 41.21 2kjs h ASP 5 CO 0.09 0.00 -1.69 0.00 -1.72 0.00 0.00 179.24 175.91 2kjs h ALA 6 N 2.09 0.09 -0.00 3.45 0.00 -1.70 -3.33 119.26 119.85 2kjs h ALA 6 Ca 0.00 -1.08 0.00 0.00 0.00 0.00 0.00 54.91 53.83 2kjs h ALA 6 Cb 0.34 0.40 0.00 0.00 0.00 0.00 0.00 17.79 18.53 2kjs h ALA 6 CO 0.00 0.95 -0.32 1.28 0.00 0.00 0.00 179.25 181.16 2kjs n LEU 7 N -3.63 0.55 0.20 0.00 4.77 -1.05 -4.06 117.00 113.77 2kjs n LEU 7 Ca -0.23 0.01 -0.13 0.00 -0.03 0.00 0.00 56.01 55.63 2kjs n LEU 7 Cb 1.08 -0.24 -0.07 0.00 -2.33 0.00 0.00 43.42 41.85 2kjs n LEU 7 CO 0.53 0.12 0.44 0.74 -1.33 0.00 0.00 177.39 177.89 2kjs h THR 8 N 0.36 0.43 -0.69 -5.08 2.02 -0.99 -1.32 112.91 107.63 2kjs h THR 8 Ca 0.00 -0.58 0.06 0.00 0.77 0.00 0.00 66.41 66.66 2kjs h THR 8 Cb 0.48 0.64 -0.05 0.00 -1.74 0.00 0.00 68.15 67.47 2kjs h THR 8 CO 0.00 0.08 0.39 1.55 0.37 0.00 0.00 175.52 177.91 2kjs h PRO 9 N -0.96 0.71 -0.35 6.66 0.13 -1.71 0.40 132.00 136.88 2kjs h PRO 9 Ca -0.06 -0.04 -0.03 0.00 -0.87 0.00 0.00 66.00 65.00 2kjs h PRO 9 Cb 0.55 -0.16 -0.01 0.00 0.13 0.00 0.00 31.00 31.51 2kjs h PRO 9 CO 0.09 0.47 0.10 0.82 -0.23 0.00 0.00 178.00 179.25 2kjs h ILE 10 N 0.73 1.22 -0.43 -3.56 2.04 -1.70 -0.30 117.51 115.50 2kjs h ILE 10 Ca 0.30 -0.72 -0.07 0.00 1.00 0.00 0.00 64.86 65.37 2kjs h ILE 10 Cb 0.16 1.03 -0.02 0.00 -0.74 0.00 0.00 36.82 37.26 2kjs h ILE 10 CO -0.17 0.25 -0.02 -0.26 0.00 0.00 0.00 178.15 177.95 2kjs h PHE 11 N 0.41 0.85 -0.62 1.37 -1.00 -0.78 -1.91 116.94 115.27 2kjs h PHE 11 Ca 0.11 -0.15 -0.00 0.00 2.81 0.00 0.00 57.97 60.73 2kjs h PHE 11 Cb 0.28 -0.22 -0.03 0.00 3.61 0.00 0.00 35.95 39.59 2kjs h PHE 11 CO 0.01 0.85 0.37 -0.09 -1.61 0.00 0.00 178.31 177.84 2kjs h ARG 12 N 0.62 0.85 -0.69 1.51 2.43 -0.07 0.47 114.38 119.49 2kjs h ARG 12 Ca 0.12 -0.08 -0.07 0.00 -0.81 0.00 0.00 59.98 59.14 2kjs h ARG 12 Cb 0.52 -0.18 -0.03 0.00 -0.42 0.00 0.00 29.97 29.86 2kjs h ARG 12 CO 0.03 0.61 0.14 0.37 -1.51 0.00 0.00 179.97 179.61 2kjs h GLN 13 N 0.85 1.12 0.19 0.20 5.75 -0.93 1.13 115.11 123.41 2kjs h GLN 13 Ca 0.22 -0.28 -0.01 0.00 -0.15 0.00 0.00 58.65 58.43 2kjs h GLN 13 Cb -0.01 -0.14 0.00 0.00 1.07 0.00 0.00 27.48 28.40 2kjs h GLN 13 CO -0.04 1.00 -0.09 0.28 -2.65 0.00 0.00 178.83 177.33 2kjs h VAL 14 N 1.06 0.40 -0.47 2.39 2.07 -0.95 -3.35 116.25 117.41 2kjs h VAL 14 Ca 0.21 -1.00 -0.10 0.00 0.82 0.00 0.00 66.70 66.63 2kjs h VAL 14 Cb 0.40 0.70 -0.01 0.00 -1.52 0.00 0.00 31.29 30.85 2kjs h VAL 14 CO 0.01 0.11 -0.11 -0.26 0.02 0.00 0.00 177.57 177.35 2kjs h PHE 15 N -1.01 1.01 -6.35 1.57 0.04 -0.13 -3.48 116.94 108.59 2kjs h PHE 15 Ca -0.03 -0.21 -0.33 0.00 2.80 0.00 0.00 57.97 60.20 2kjs h PHE 15 Cb 0.38 -0.25 0.01 0.00 2.20 0.00 0.00 35.95 38.30 2kjs h PHE 15 CO 0.05 0.98 -1.06 -3.47 -0.60 0.00 0.00 178.31 174.21 2kjs n ASP 16 N -4.25 -5.86 -0.49 2.17 -0.08 0.39 -5.00 116.55 103.43 2kjs n ASP 16 Ca 0.00 -0.14 0.00 0.00 -1.51 0.00 0.00 54.79 53.14 2kjs n ASP 16 Cb 0.38 -2.33 0.00 0.00 2.34 0.00 0.00 41.12 41.52 2kjs n ASP 16 CO 0.00 0.00 0.00 -0.67 0.12 0.00 0.00 177.20 176.65 2kjs n ASP 17 N -0.53 0.66 -4.48 1.67 2.03 -1.26 -5.08 116.55 109.56 2kjs n ASP 17 Ca -0.08 -0.37 -0.43 0.00 0.52 0.00 0.00 54.79 54.43 2kjs n ASP 17 Cb 0.65 0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 41.01 2kjs n ASP 17 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 2kjs s ASP 18 N 0.26 6.23 -0.05 1.67 -1.08 -1.26 -4.66 116.67 117.78 2kjs s ASP 18 Ca 0.00 -1.01 -0.02 0.00 -0.52 0.00 0.00 52.55 51.00 2kjs s ASP 18 Cb 0.00 -2.45 0.01 0.00 -1.46 0.00 0.00 42.92 39.02 2kjs s ASP 18 CO 0.00 -1.49 0.05 -1.54 0.52 0.00 0.00 175.17 172.71 2kjs n SER 19 N 7.99 -6.15 -4.69 -0.34 3.41 -1.26 -4.93 113.62 107.66 2kjs n SER 19 Ca 0.02 0.96 -0.35 0.00 -0.26 0.00 0.00 58.87 59.23 2kjs n SER 19 Cb 0.47 -2.43 -0.09 0.00 -0.26 0.00 0.00 64.21 61.89 2kjs n SER 19 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 2kjs s ILE 20 N -0.39 5.23 -0.09 -1.33 1.01 -1.26 -5.09 121.20 119.29 2kjs s ILE 20 Ca -0.05 0.13 0.03 0.00 0.00 0.00 0.00 60.65 60.75 2kjs s ILE 20 Cb 0.00 -3.40 -0.01 0.00 0.01 0.00 0.00 42.46 39.06 2kjs s ILE 20 CO 0.19 0.42 -0.18 0.68 0.00 0.00 0.00 174.94 176.05 2kjs s VAL 21 N 0.56 2.65 -0.05 2.92 -7.23 -1.26 -5.00 120.40 113.00 2kjs s VAL 21 Ca 0.07 -0.83 0.01 0.00 -1.81 0.00 0.00 61.98 59.42 2kjs s VAL 21 Cb -0.12 -2.05 -0.03 0.00 0.56 0.00 0.00 36.38 34.74 2kjs s VAL 21 CO 0.00 0.56 -0.06 -0.76 -0.31 0.00 0.00 175.10 174.53 2kjs s LEU 22 N -0.04 3.23 0.09 1.32 1.43 -1.26 -5.12 118.68 118.33 2kjs s LEU 22 Ca -0.05 -0.03 0.02 0.00 -1.03 0.00 0.00 54.13 53.04 2kjs s LEU 22 Cb -0.14 -1.75 -0.04 0.00 0.03 0.00 0.00 46.19 44.28 2kjs s LEU 22 CO 0.04 0.34 -0.07 0.42 0.23 0.00 0.00 176.35 177.32 2kjs s THR 23 N -0.88 0.68 0.23 5.49 -4.23 -1.26 -5.05 115.64 110.62 2kjs s THR 23 Ca 0.14 -1.83 -0.04 0.00 -1.18 0.00 0.00 61.69 58.78 2kjs s THR 23 Cb -0.11 -1.55 0.09 0.00 1.34 0.00 0.00 72.50 72.27 2kjs s THR 23 CO 0.04 -0.81 1.70 0.03 -0.54 0.00 0.00 174.62 175.04 2kjs h ARG 24 N 3.16 0.85 0.00 3.99 3.08 -1.97 -1.74 114.38 121.75 2kjs h ARG 24 Ca -0.35 -0.26 0.00 0.00 0.07 0.00 0.00 59.98 59.43 2kjs h ARG 24 Cb 1.17 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 31.14 2kjs h ARG 24 CO 0.62 0.88 0.00 -0.85 -1.07 0.00 0.00 179.97 179.55 2kjs n GLU 25 N -4.18 0.17 -1.84 0.04 0.28 -1.26 -4.25 120.64 109.60 2kjs n GLU 25 Ca 0.02 0.16 -0.42 0.00 -0.16 0.00 0.00 57.16 56.76 2kjs n GLU 25 Cb 0.34 -1.50 -0.03 0.00 1.43 0.00 0.00 31.44 31.68 2kjs n GLU 25 CO 0.00 0.00 0.00 0.99 -0.16 0.00 0.00 177.13 177.96 2kjs s THR 26 N -2.47 2.48 -2.43 3.84 2.01 -0.65 -4.88 115.64 113.54 2kjs s THR 26 Ca 0.10 0.27 0.20 0.00 0.31 0.00 0.00 61.69 62.58 2kjs s THR 26 Cb 0.07 -3.17 0.22 0.00 0.01 0.00 0.00 72.50 69.63 2kjs s THR 26 CO 0.14 0.02 1.20 -1.54 -0.69 0.00 0.00 174.62 173.75 2kjs n SER 27 N 4.41 2.86 0.00 3.53 3.41 -1.26 -3.68 113.62 122.88 2kjs n SER 27 Ca 0.15 -1.88 0.00 0.00 -0.26 0.00 0.00 58.87 56.89 2kjs n SER 27 Cb 0.38 -0.06 0.00 0.00 -0.26 0.00 0.00 64.21 64.26 2kjs n SER 27 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2kjs n ALA 28 N 1.18 0.00 0.56 7.33 0.00 -1.26 -4.72 120.51 123.61 2kjs n ALA 28 Ca 0.13 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.69 2kjs n ALA 28 Cb 0.52 0.00 0.45 0.00 0.00 0.00 0.00 19.45 20.43 2kjs n ALA 28 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 2kjs n ASN 29 N 0.66 0.54 0.08 0.00 0.23 -1.26 -2.62 115.26 112.89 2kjs n ASN 29 Ca 0.00 0.59 0.11 0.00 -0.53 0.00 0.00 54.58 54.75 2kjs n ASN 29 Cb 0.00 -0.72 0.44 0.00 -2.08 0.00 0.00 39.78 37.42 2kjs n ASN 29 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 2kjs n ASP 30 N -2.05 0.48 -4.26 0.53 8.00 -1.26 -4.51 116.55 113.47 2kjs n ASP 30 Ca 0.04 0.60 -0.36 0.00 0.71 0.00 0.00 54.79 55.77 2kjs n ASP 30 Cb 0.30 -0.70 -0.13 0.00 -0.02 0.00 0.00 41.12 40.56 2kjs n ASP 30 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2kjs s ILE 31 N -3.17 3.46 0.19 0.53 1.01 -1.08 -4.97 121.20 117.16 2kjs s ILE 31 Ca 0.07 -0.97 -0.06 0.00 0.00 0.00 0.00 60.65 59.69 2kjs s ILE 31 Cb 0.11 -2.83 -0.01 0.00 0.01 0.00 0.00 42.46 39.73 2kjs s ILE 31 CO 0.41 0.05 1.55 -0.78 0.00 0.00 0.00 174.94 176.17 2kjs h ASP 32 N 8.13 0.81 0.00 3.58 3.58 -1.86 -2.86 116.42 127.81 2kjs h ASP 32 Ca -0.29 -0.35 0.00 0.00 0.42 0.00 0.00 57.03 56.81 2kjs h ASP 32 Cb 1.10 -0.23 0.00 0.00 1.72 0.00 0.00 39.33 41.93 2kjs h ASP 32 CO 0.58 1.09 0.00 0.00 -2.88 0.00 0.00 179.24 178.03 2kjs n ALA 33 N -2.52 2.20 -3.09 -0.78 0.00 -1.26 -4.54 120.51 110.51 2kjs n ALA 33 Ca -0.02 0.00 -0.44 0.00 0.00 0.00 0.00 53.44 52.98 2kjs n ALA 33 Cb 0.51 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.96 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 0.51 4.82 -2.89 0.00 -0.00 -1.08 -5.02 117.44 113.79 2kjs n TRP 34 Ca 0.00 -3.53 -0.39 0.00 -0.00 0.00 0.00 57.50 53.58 2kjs n TRP 34 Cb 0.32 -1.90 -0.06 0.00 -0.00 0.00 0.00 31.31 29.68 2kjs n TRP 34 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 177.69 177.18 2kjs s ASP 35 N 1.70 7.45 0.21 5.87 1.01 -1.26 -4.97 116.67 126.68 2kjs s ASP 35 Ca 0.36 1.75 -0.09 0.00 0.71 0.00 0.00 52.55 55.29 2kjs s ASP 35 Cb -0.05 -2.54 0.15 0.00 1.01 0.00 0.00 42.92 41.49 2kjs s ASP 35 CO -0.03 0.15 1.81 0.28 0.21 0.00 0.00 175.17 177.59 2kjs h SER 36 N 4.08 0.99 -0.54 0.27 0.02 -1.99 -1.75 113.55 114.63 2kjs h SER 36 Ca -0.46 -0.12 -0.02 0.00 -0.84 0.00 0.00 61.79 60.35 2kjs h SER 36 Cb 1.20 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 63.46 2kjs h SER 36 CO 0.66 0.84 0.27 0.25 -1.14 0.00 0.00 176.83 177.71 2kjs h LEU 37 N 1.08 0.70 -1.66 5.07 5.85 -2.01 -2.06 115.31 122.27 2kjs h LEU 37 Ca 0.27 -0.12 -0.04 0.00 0.84 0.00 0.00 57.88 58.83 2kjs h LEU 37 Cb 0.09 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 40.94 2kjs h LEU 37 CO -0.04 0.62 -0.20 0.77 -0.34 0.00 0.00 178.44 179.25 2kjs h SER 38 N 0.72 0.00 -0.63 1.25 4.64 -1.89 -2.47 113.55 115.18 2kjs h SER 38 Ca 0.19 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.43 2kjs h SER 38 Cb 0.10 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.16 2kjs h SER 38 CO -0.03 0.20 0.09 -0.74 -0.87 0.00 0.00 176.83 175.48 2kjs h HIS 39 N 0.00 1.11 -0.68 4.77 -0.00 -0.60 -2.23 115.15 117.53 2kjs h HIS 39 Ca -0.00 -0.16 -0.01 0.00 -0.00 0.00 0.00 60.37 60.20 2kjs h HIS 39 Cb 0.40 -0.30 -0.03 0.00 -0.00 0.00 0.00 27.41 27.47 2kjs h HIS 39 CO 0.00 0.95 0.40 0.52 -0.00 0.00 0.00 177.93 179.81 2kjs h MET 40 N 0.96 0.93 -0.82 5.26 2.07 -1.19 -1.67 114.93 120.46 2kjs h MET 40 Ca 0.19 -0.09 -0.04 0.00 -2.07 0.00 0.00 59.70 57.69 2kjs h MET 40 Cb 0.44 -0.19 -0.04 0.00 -1.87 0.00 0.00 31.60 29.94 2kjs h MET 40 CO 0.01 0.67 0.36 -0.91 1.07 0.00 0.00 176.91 178.11 2kjs h ASN 41 N 0.93 1.11 -0.59 1.22 2.35 -1.44 -2.10 115.58 117.06 2kjs h ASN 41 Ca 0.24 -0.16 -0.02 0.00 -0.55 0.00 0.00 56.30 55.82 2kjs h ASN 41 Cb -0.02 -0.29 -0.03 0.00 0.05 0.00 0.00 38.32 38.04 2kjs h ASN 41 CO -0.04 0.96 0.30 0.25 -1.65 0.00 0.00 177.43 177.24 2kjs h LEU 42 N 1.18 0.76 -0.57 1.61 6.46 -0.90 -1.43 115.31 122.42 2kjs h LEU 42 Ca 0.28 -0.12 -0.01 0.00 -0.12 0.00 0.00 57.88 57.91 2kjs h LEU 42 Cb 0.17 -0.19 -0.03 0.00 -0.73 0.00 0.00 40.66 39.88 2kjs h LEU 42 CO -0.03 0.66 0.31 0.40 -0.62 0.00 0.00 178.44 179.16 2kjs h ILE 43 N 0.80 1.19 -0.24 4.05 2.04 -0.98 0.12 117.51 124.49 2kjs h ILE 43 Ca 0.20 -0.49 -0.00 0.00 1.00 0.00 0.00 64.86 65.57 2kjs h ILE 43 Cb 0.09 0.47 -0.01 0.00 -0.74 0.00 0.00 36.82 36.63 2kjs h ILE 43 CO -0.03 0.21 0.13 0.58 0.00 0.00 0.00 178.15 179.04 2kjs h VAL 44 N 0.77 1.11 -0.72 1.67 2.07 -1.10 -0.70 116.25 119.37 2kjs h VAL 44 Ca 0.20 -0.30 -0.04 0.00 0.82 0.00 0.00 66.70 67.38 2kjs h VAL 44 Cb 0.06 0.88 -0.03 0.00 -1.52 0.00 0.00 31.29 30.67 2kjs h VAL 44 CO -0.03 0.11 0.29 0.28 0.02 0.00 0.00 177.57 178.24 2kjs h SER 45 N 0.28 0.98 -0.47 0.57 0.02 -1.02 -1.20 113.55 112.71 2kjs h SER 45 Ca 0.09 -0.17 -0.01 0.00 -0.84 0.00 0.00 61.79 60.86 2kjs h SER 45 Cb 0.06 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.33 2kjs h SER 45 CO -0.01 0.88 0.26 0.25 -1.14 0.00 0.00 176.83 177.07 2kjs h LEU 46 N 1.02 0.59 -0.25 5.07 6.46 -0.46 0.29 115.31 128.03 2kjs h LEU 46 Ca 0.24 -0.09 -0.02 0.00 -0.12 0.00 0.00 57.88 57.89 2kjs h LEU 46 Cb 0.20 -0.15 -0.01 0.00 -0.73 0.00 0.00 40.66 39.97 2kjs h LEU 46 CO -0.02 0.51 0.08 -0.33 -0.62 0.00 0.00 178.44 178.06 2kjs h GLU 47 N 0.62 0.40 -0.50 1.25 5.08 -0.89 -2.60 114.58 117.95 2kjs h GLU 47 Ca 0.17 -0.08 -0.05 0.00 -1.00 0.00 0.00 59.36 58.39 2kjs h GLU 47 Cb 0.05 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.22 2kjs h GLU 47 CO -0.03 0.47 0.12 0.28 -1.00 0.00 0.00 179.01 178.85 2kjs h VAL 48 N 0.25 1.24 -0.40 3.13 2.07 -1.02 2.67 116.25 124.18 2kjs h VAL 48 Ca 0.08 -0.85 0.07 0.00 0.82 0.00 0.00 66.70 66.82 2kjs h VAL 48 Cb 0.24 0.85 -0.06 0.00 -1.52 0.00 0.00 31.29 30.79 2kjs h VAL 48 CO -0.00 0.31 0.05 0.45 0.02 0.00 0.00 177.57 178.39 2kjs h HIS 49 N 0.68 0.08 -0.47 1.57 3.86 -0.30 -2.33 115.15 118.24 2kjs h HIS 49 Ca 0.16 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.39 2kjs h HIS 49 Cb 0.34 0.03 0.00 0.00 1.06 0.00 0.00 27.41 28.83 2kjs h HIS 49 CO 0.02 -0.02 0.00 0.66 0.86 0.00 0.00 177.93 179.45 2kjs n TYR 50 N -5.13 0.62 -3.50 2.45 4.02 -0.99 -5.00 117.16 109.63 2kjs n TYR 50 Ca 0.03 -0.43 -0.15 0.00 -0.01 0.00 0.00 57.90 57.34 2kjs n TYR 50 Cb 0.19 -0.01 0.00 0.00 -0.02 0.00 0.00 39.34 39.50 2kjs n TYR 50 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 176.86 177.02 2kjs n LYS 51 N 1.07 -1.45 -4.36 -0.72 3.00 0.85 -5.00 118.16 111.55 2kjs n LYS 51 Ca 0.17 1.05 -0.19 0.00 -0.00 0.00 0.00 58.31 59.34 2kjs n LYS 51 Cb 0.51 -3.70 -0.10 0.00 0.00 0.00 0.00 35.03 31.74 2kjs n LYS 51 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.40 177.82 2kjs s ILE 52 N -3.00 1.74 -0.29 3.15 -1.09 0.16 -4.98 121.20 116.89 2kjs s ILE 52 Ca 0.01 -2.21 -0.01 0.00 -2.23 0.00 0.00 60.65 56.21 2kjs s ILE 52 Cb -0.00 -2.11 0.09 0.00 -1.58 0.00 0.00 42.46 38.86 2kjs s ILE 52 CO 0.84 -0.55 0.08 -0.54 -1.23 0.00 0.00 174.94 173.54 2kjs s LYS 53 N -3.65 0.78 0.05 2.79 -0.14 -1.26 -4.68 119.74 113.62 2kjs s LYS 53 Ca 0.24 -1.01 -0.07 0.00 -1.36 0.00 0.00 55.97 53.77 2kjs s LYS 53 Cb -0.00 -2.07 -0.05 0.00 -1.68 0.00 0.00 37.83 34.03 2kjs s LYS 53 CO 0.08 -0.92 0.32 -0.06 -0.76 0.00 0.00 175.35 174.01 2kjs s PHE 54 N 1.62 3.57 0.35 3.18 0.08 -1.26 -5.09 117.98 120.42 2kjs s PHE 54 Ca 0.08 0.64 -0.05 0.00 0.12 0.00 0.00 56.93 57.71 2kjs s PHE 54 Cb -0.17 -2.05 -0.05 0.00 -0.57 0.00 0.00 43.02 40.18 2kjs s PHE 54 CO -0.22 0.56 0.63 0.00 -0.10 0.00 0.00 175.22 176.10 2kjs s ALA 55 N -1.37 3.55 0.20 5.36 0.00 -1.26 -5.00 121.76 123.23 2kjs s ALA 55 Ca 0.31 -0.53 -0.10 0.00 0.00 0.00 0.00 51.96 51.64 2kjs s ALA 55 Cb -0.13 -2.40 0.12 0.00 0.00 0.00 0.00 23.12 20.71 2kjs s ALA 55 CO 0.18 0.07 1.79 1.25 0.00 0.00 0.00 175.76 179.05 2kjs h LEU 56 N 1.24 0.91 -1.07 0.00 5.85 -1.99 -2.14 115.31 118.11 2kjs h LEU 56 Ca -0.48 -0.12 -0.01 0.00 0.84 0.00 0.00 57.88 58.11 2kjs h LEU 56 Cb 1.20 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 41.95 2kjs h LEU 56 CO 0.64 0.77 0.48 1.23 -0.34 0.00 0.00 178.44 181.22 2kjs h GLY 57 N 0.98 1.20 1.05 3.75 0.00 -1.99 -1.66 103.07 106.39 2kjs h GLY 57 Ca 0.24 -0.51 -0.07 0.00 0.00 0.00 0.00 47.33 46.99 2kjs h GLY 57 CO -0.03 0.49 0.12 0.83 0.00 0.00 0.00 176.54 177.95 2kjs h GLU 58 N 1.13 1.07 -0.75 4.80 5.08 -1.85 -2.82 114.58 121.24 2kjs h GLU 58 Ca 0.29 -0.28 -0.06 0.00 -1.00 0.00 0.00 59.36 58.32 2kjs h GLU 58 Cb -0.02 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.07 2kjs h GLU 58 CO -0.05 0.98 0.23 -0.07 -1.00 0.00 0.00 179.01 179.10 2kjs h LEU 59 N 0.98 1.09 -2.45 1.33 3.38 -0.85 -2.02 115.31 116.77 2kjs h LEU 59 Ca 0.20 -0.21 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 2kjs h LEU 59 Cb 0.42 -0.29 -0.00 0.00 0.09 0.00 0.00 40.66 40.88 2kjs h LEU 59 CO 0.01 1.01 -0.03 1.56 0.09 0.00 0.00 178.44 181.08 2kjs h GLN 60 N 1.11 0.00 -0.00 1.13 4.20 -1.08 0.61 115.11 121.08 2kjs h GLN 60 Ca 0.24 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.95 2kjs h GLN 60 Cb 0.31 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.09 2kjs h GLN 60 CO -0.01 0.03 -0.02 1.63 -0.67 0.00 0.00 178.83 179.79 2kjs n LYS 61 N -3.37 0.64 -3.04 1.46 5.02 -0.76 -4.69 118.16 113.43 2kjs n LYS 61 Ca -0.02 -0.05 -0.43 0.00 -2.02 0.00 0.00 58.31 55.79 2kjs n LYS 61 Cb 0.14 -1.50 -0.06 0.00 -0.02 0.00 0.00 35.03 33.59 2kjs n LYS 61 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2kjs s LEU 62 N -2.39 4.43 0.00 -0.35 1.43 0.21 -4.85 118.68 117.15 2kjs s LEU 62 Ca 0.34 -0.32 0.14 0.00 -1.03 0.00 0.00 54.13 53.25 2kjs s LEU 62 Cb 0.21 -2.79 0.10 0.00 0.03 0.00 0.00 46.19 43.73 2kjs s LEU 62 CO 0.44 -0.88 0.91 0.29 0.23 0.00 0.00 176.35 177.34 2kjs n LYS 63 N 6.53 1.01 -3.68 1.70 4.76 -1.26 -5.00 118.16 122.22 2kjs n LYS 63 Ca -0.00 -1.25 -0.11 0.00 -2.87 0.00 0.00 58.31 54.08 2kjs n LYS 63 Cb 0.48 -1.25 -0.06 0.00 -1.84 0.00 0.00 35.03 32.36 2kjs n LYS 63 CO 0.00 0.00 0.00 1.21 -1.37 0.00 0.00 177.40 177.24 2kjs s ASN 64 N -1.20 -0.19 0.15 4.39 3.84 -1.26 -4.95 114.94 115.72 2kjs s ASN 64 Ca 0.15 -0.27 -0.13 0.00 0.21 0.00 0.00 52.86 52.82 2kjs s ASN 64 Cb 0.11 0.44 0.03 0.00 -0.55 0.00 0.00 41.25 41.28 2kjs s ASN 64 CO 0.19 -0.77 1.68 0.58 -2.79 0.00 0.00 177.10 175.98 2kjs h VAL 65 N 2.63 1.23 -0.91 -5.21 2.07 -1.82 -2.65 116.25 111.59 2kjs h VAL 65 Ca -0.33 -0.77 0.14 0.00 0.82 0.00 0.00 66.70 66.57 2kjs h VAL 65 Cb 1.23 0.78 -0.07 0.00 -1.52 0.00 0.00 31.29 31.71 2kjs h VAL 65 CO 0.47 0.28 0.58 1.23 0.02 0.00 0.00 177.57 180.16 2kjs h GLY 66 N 0.68 1.28 1.30 2.17 0.00 -1.78 0.11 103.07 106.83 2kjs h GLY 66 Ca 0.16 -0.31 -0.04 0.00 0.00 0.00 0.00 47.33 47.14 2kjs h GLY 66 CO -0.01 0.09 0.23 -0.55 0.00 0.00 0.00 176.54 176.31 2kjs h ASP 67 N 0.72 0.81 -0.17 0.19 3.32 -1.82 -1.33 116.42 118.16 2kjs h ASP 67 Ca 0.46 -0.11 -0.00 0.00 0.02 0.00 0.00 57.03 57.40 2kjs h ASP 67 Cb 0.72 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 40.05 2kjs h ASP 67 CO -0.22 0.74 0.10 0.25 -1.72 0.00 0.00 179.24 178.38 2kjs h LEU 68 N 0.87 0.21 -1.20 1.55 6.46 -0.70 -1.11 115.31 121.39 2kjs h LEU 68 Ca 0.21 -0.07 -0.03 0.00 -0.12 0.00 0.00 57.88 57.87 2kjs h LEU 68 Cb 0.18 -0.05 -0.03 0.00 -0.73 0.00 0.00 40.66 40.03 2kjs h LEU 68 CO -0.02 0.21 0.24 0.00 -0.62 0.00 0.00 178.44 178.25 2kjs h ALA 69 N 1.00 1.38 -0.60 1.25 0.00 -1.17 -1.80 119.26 119.31 2kjs h ALA 69 Ca 0.06 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.80 2kjs h ALA 69 Cb 0.05 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.59 2kjs h ALA 69 CO -0.01 0.48 0.22 0.22 0.00 0.00 0.00 179.25 180.16 2kjs h ASP 70 N 0.79 0.81 -0.70 0.00 3.58 -0.71 -2.37 116.42 117.82 2kjs h ASP 70 Ca 0.19 -0.12 -0.03 0.00 0.42 0.00 0.00 57.03 57.49 2kjs h ASP 70 Cb 0.13 -0.21 -0.03 0.00 1.72 0.00 0.00 39.33 40.94 2kjs h ASP 70 CO -0.02 0.74 0.32 0.25 -2.88 0.00 0.00 179.24 177.65 2kjs h LEU 71 N 0.87 0.93 -0.49 2.28 7.12 -0.35 -1.83 115.31 123.85 2kjs h LEU 71 Ca 0.20 -0.15 0.03 0.00 0.13 0.00 0.00 57.88 58.10 2kjs h LEU 71 Cb 0.20 -0.24 -0.04 0.00 -0.53 0.00 0.00 40.66 40.05 2kjs h LEU 71 CO -0.02 0.82 0.26 0.58 -0.13 0.00 0.00 178.44 179.96 2kjs h VAL 72 N 0.98 1.00 -0.43 1.05 2.07 -1.13 0.44 116.25 120.23 2kjs h VAL 72 Ca 0.24 -0.18 -0.02 0.00 0.82 0.00 0.00 66.70 67.56 2kjs h VAL 72 Cb 0.15 0.43 -0.02 0.00 -1.52 0.00 0.00 31.29 30.33 2kjs h VAL 72 CO -0.03 0.10 0.21 -0.78 0.02 0.00 0.00 177.57 177.09 2kjs h ASP 73 N 0.52 0.56 -0.47 0.57 1.82 -1.23 -0.64 116.42 117.56 2kjs h ASP 73 Ca 0.21 -0.12 -0.05 0.00 -0.39 0.00 0.00 57.03 56.67 2kjs h ASP 73 Cb 0.08 -0.14 -0.02 0.00 0.68 0.00 0.00 39.33 39.93 2kjs h ASP 73 CO -0.13 0.53 0.08 0.11 -1.61 0.00 0.00 179.24 178.22 2kjs h LYS 74 N 0.56 0.77 -0.48 0.28 1.57 -0.81 -1.76 116.57 116.69 2kjs h LYS 74 Ca 0.15 -0.20 -0.01 0.00 -1.87 0.00 0.00 60.65 58.72 2kjs h LYS 74 Cb 0.11 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.31 2kjs h LYS 74 CO -0.02 0.78 0.26 -0.22 -0.57 0.00 0.00 179.45 179.68 2kjs h LYS 75 N 0.64 0.67 -0.70 3.15 1.63 0.08 -2.09 116.57 119.95 2kjs h LYS 75 Ca 0.14 -0.08 -0.03 0.00 -0.85 0.00 0.00 60.65 59.83 2kjs h LYS 75 Cb 0.38 -0.13 -0.03 0.00 -0.60 0.00 0.00 32.23 31.85 2kjs h LYS 75 CO 0.01 0.53 0.32 -0.07 -3.45 0.00 0.00 179.45 176.78 2kjs h LEU 76 N 0.63 0.93 -1.35 5.20 3.38 -1.01 -2.31 115.31 120.79 2kjs h LEU 76 Ca 0.17 -0.15 0.01 0.00 0.09 0.00 0.00 57.88 58.00 2kjs h LEU 76 Cb 0.06 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.53 2kjs h LEU 76 CO -0.03 0.82 0.44 0.00 0.09 0.00 0.00 178.44 179.77 2kjs h ALA 77 N 1.15 1.54 -0.58 1.53 0.00 -0.99 -1.64 119.26 120.27 2kjs h ALA 77 Ca 0.24 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 55.03 2kjs h ALA 77 Cb 0.15 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 2kjs h ALA 77 CO -0.03 0.41 0.07 0.00 0.00 0.00 0.00 179.25 179.71 2kjs h ARG 78 N 0.89 0.95 -0.35 0.00 3.08 -0.84 -0.51 114.38 117.59 2kjs h ARG 78 Ca 0.25 -0.24 0.00 0.00 0.07 0.00 0.00 59.98 60.06 2kjs h ARG 78 Cb -0.07 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 29.85 2kjs h ARG 78 CO -0.06 0.89 0.23 0.87 -1.07 0.00 0.00 179.97 180.84 2kjs h LYS 79 N 0.89 0.47 0.00 0.04 1.57 -0.94 -1.76 116.57 116.84 2kjs h LYS 79 Ca 0.18 -0.03 -0.08 0.00 -1.87 0.00 0.00 60.65 58.85 2kjs h LYS 79 Cb 0.42 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.61 2kjs h LYS 79 CO 0.01 0.31 -0.40 -0.07 -0.57 0.00 0.00 179.45 178.73 2kjs h LEU 80 N 0.48 0.00 -1.22 2.94 4.07 -1.31 -2.83 115.31 117.44 2kjs h LEU 80 Ca 0.13 0.00 -0.07 0.00 0.08 0.00 0.00 57.88 58.02 2kjs h LEU 80 Cb -0.06 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 41.67 2kjs h LEU 80 CO -0.03 0.40 -0.17 -0.08 -1.08 0.00 0.00 178.44 177.48 2kjs h GLU 81 N 0.00 0.33 0.00 1.13 4.81 -0.26 -1.94 114.58 118.66 2kjs h GLU 81 Ca -0.00 -0.09 0.00 0.00 -0.13 0.00 0.00 59.36 59.13 2kjs h GLU 81 Cb 0.88 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.22 2kjs h GLU 81 CO 0.05 0.50 -0.36 0.72 -0.73 0.00 0.00 179.01 179.19 2kjs n HIS 82 N -4.21 0.14 -0.15 0.92 8.25 -0.80 -3.94 115.22 115.42 2kjs n HIS 82 Ca -0.00 0.04 -0.08 0.00 -0.26 0.00 0.00 57.72 57.42 2kjs n HIS 82 Cb 0.32 -0.42 0.01 0.00 1.12 0.00 0.00 29.99 31.02 2kjs n HIS 82 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 2kjs h HIS 83 N 0.00 0.59 -0.59 4.41 -0.00 -1.11 -3.47 115.15 114.97 2kjs h HIS 83 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.37 2kjs h HIS 83 Cb 0.55 -0.20 0.00 0.00 -0.00 0.00 0.00 27.41 27.77 2kjs h HIS 83 CO 0.00 0.40 0.00 0.72 -0.00 0.00 0.00 177.93 179.05 2kjs n HIS 84 N -4.74 -0.81 -3.83 5.26 8.25 -1.25 -4.93 115.22 113.17 2kjs n HIS 84 Ca 0.01 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.38 2kjs n HIS 84 Cb 0.04 0.10 -0.05 0.00 1.12 0.00 0.00 29.99 31.20 2kjs n HIS 84 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 2kjs s HIS 85 N 0.00 0.10 0.20 4.41 2.46 -1.26 -5.05 115.29 116.15 2kjs s HIS 85 Ca 0.00 -0.46 -0.11 0.00 0.47 0.00 0.00 55.06 54.96 2kjs s HIS 85 Cb 0.00 0.17 0.16 0.00 -0.13 0.00 0.00 32.58 32.78 2kjs s HIS 85 CO 0.00 -0.80 1.84 0.45 -2.47 0.00 0.00 174.74 173.77 2kjs h HIS 86 N 2.39 0.76 0.00 3.88 3.86 -2.04 -3.56 115.15 120.43 2kjs h HIS 86 Ca -0.31 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 58.92 2kjs h HIS 86 Cb 1.24 -0.25 0.00 0.00 1.06 0.00 0.00 27.41 29.46 2kjs h HIS 86 CO 0.37 0.44 0.00 1.58 0.86 0.00 0.00 177.93 181.18