#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 3.68 0.00 0.03 0.04 -1.26 -4.91 135.00 132.59 2kjs s PRO 2 Ca 0.00 0.48 0.00 0.00 0.04 0.00 0.00 61.00 61.52 2kjs s PRO 2 Cb 0.00 -3.91 0.00 0.00 0.04 0.00 0.00 34.50 30.63 2kjs s PRO 2 CO 0.00 -1.35 0.00 0.25 0.04 0.00 0.00 177.00 175.94 2kjs n THR 3 N 6.77 0.00 -0.15 1.26 -2.24 -1.26 -4.08 114.28 114.58 2kjs n THR 3 Ca 0.11 0.46 -0.12 0.00 -2.27 0.00 0.00 64.05 62.23 2kjs n THR 3 Cb 0.49 -1.45 -0.01 0.00 -2.10 0.00 0.00 70.33 67.26 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 0.00 0.94 -0.39 3.22 3.38 -1.96 -2.45 115.31 118.05 2kjs h LEU 4 Ca 0.00 -0.40 0.00 0.00 0.09 0.00 0.00 57.88 57.57 2kjs h LEU 4 Cb 0.00 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.49 2kjs h LEU 4 CO 0.00 1.13 0.00 -0.90 0.09 0.00 0.00 178.44 178.76 2kjs n ASP 5 N -4.18 0.30 0.07 -0.43 5.75 -1.26 -1.76 116.55 115.04 2kjs n ASP 5 Ca -0.01 0.59 0.10 0.00 -0.01 0.00 0.00 54.79 55.46 2kjs n ASP 5 Cb 0.44 -0.65 -0.05 0.00 -1.03 0.00 0.00 41.12 39.83 2kjs n ASP 5 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2kjs n ALA 6 N -1.63 2.52 0.92 2.12 0.00 -0.94 -4.07 120.51 119.43 2kjs n ALA 6 Ca 0.02 -0.35 0.10 0.00 0.00 0.00 0.00 53.44 53.21 2kjs n ALA 6 Cb 0.16 -0.99 -0.06 0.00 0.00 0.00 0.00 19.45 18.56 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 -2.60 1.41 0.01 0.00 4.77 -0.75 -4.41 117.00 115.43 2kjs n LEU 7 Ca -0.02 -0.63 -0.18 0.00 -0.03 0.00 0.00 56.01 55.15 2kjs n LEU 7 Cb 0.59 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.57 2kjs n LEU 7 CO 0.42 0.29 0.24 0.74 -1.33 0.00 0.00 177.39 177.76 2kjs h THR 8 N 1.11 1.43 -0.06 -5.08 2.02 -1.49 -2.69 112.91 108.15 2kjs h THR 8 Ca 0.00 -2.09 0.01 0.00 0.77 0.00 0.00 66.41 65.10 2kjs h THR 8 Cb 0.58 2.60 -0.01 0.00 -1.74 0.00 0.00 68.15 69.58 2kjs h THR 8 CO 0.00 0.61 -0.02 -0.65 0.37 0.00 0.00 175.52 175.83 2kjs h PRO 9 N -0.10 -0.01 -0.44 6.66 0.11 -1.77 -1.23 132.00 135.23 2kjs h PRO 9 Ca -0.08 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.98 2kjs h PRO 9 Cb 1.33 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.43 2kjs h PRO 9 CO 0.12 -0.00 0.06 0.82 -0.21 0.00 0.00 178.00 178.79 2kjs h ILE 10 N -0.01 1.25 -0.55 4.15 2.04 -1.78 -2.56 117.51 120.05 2kjs h ILE 10 Ca 0.03 -0.92 0.03 0.00 1.00 0.00 0.00 64.86 65.01 2kjs h ILE 10 Cb 0.05 0.99 -0.04 0.00 -0.74 0.00 0.00 36.82 37.08 2kjs h ILE 10 CO -0.06 0.32 0.32 -0.26 0.00 0.00 0.00 178.15 178.46 2kjs h PHE 11 N 0.59 0.59 -0.59 1.37 -1.00 -1.28 0.34 116.94 116.95 2kjs h PHE 11 Ca 0.13 0.02 -0.01 0.00 2.81 0.00 0.00 57.97 60.93 2kjs h PHE 11 Cb 0.40 -0.18 -0.03 0.00 3.61 0.00 0.00 35.95 39.74 2kjs h PHE 11 CO 0.03 0.32 0.35 0.00 -1.61 0.00 0.00 178.31 177.39 2kjs h ARG 12 N 0.62 0.81 -0.28 1.51 3.08 -1.11 0.12 114.38 119.12 2kjs h ARG 12 Ca 0.23 -0.08 -0.11 0.00 0.07 0.00 0.00 59.98 60.09 2kjs h ARG 12 Cb 0.07 -0.17 -0.00 0.00 0.08 0.00 0.00 29.97 29.95 2kjs h ARG 12 CO -0.12 0.59 -0.25 1.96 -1.07 0.00 0.00 179.97 181.07 2kjs h GLN 13 N 0.80 0.66 -0.32 0.04 1.08 -1.00 1.18 115.11 117.55 2kjs h GLN 13 Ca 0.21 -0.34 -0.03 0.00 -1.45 0.00 0.00 58.65 57.04 2kjs h GLN 13 Cb -0.00 0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 27.42 2kjs h GLN 13 CO -0.04 0.94 0.08 0.28 -0.95 0.00 0.00 178.83 179.15 2kjs h VAL 14 N 0.39 1.22 -0.01 -0.54 2.07 -0.15 -2.88 116.25 116.36 2kjs h VAL 14 Ca 0.05 -0.73 0.00 0.00 0.82 0.00 0.00 66.70 66.84 2kjs h VAL 14 Cb 0.81 1.09 0.00 0.00 -1.52 0.00 0.00 31.29 31.67 2kjs h VAL 14 CO 0.06 0.24 -0.16 0.49 0.02 0.00 0.00 177.57 178.23 2kjs n PHE 15 N -4.65 0.00 -1.55 1.57 3.72 0.38 -4.91 117.46 112.03 2kjs n PHE 15 Ca -0.02 0.00 -0.07 0.00 -0.05 0.00 0.00 57.45 57.31 2kjs n PHE 15 Cb 0.19 -0.05 -0.02 0.00 -0.94 0.00 0.00 39.48 38.66 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 -0.05 -2.08 -4.69 4.37 -0.08 0.40 -4.88 116.55 109.54 2kjs n ASP 16 Ca 0.15 0.22 -0.28 0.00 -1.51 0.00 0.00 54.79 53.36 2kjs n ASP 16 Cb 0.39 -2.07 0.11 0.00 2.34 0.00 0.00 41.12 41.89 2kjs n ASP 16 CO 0.00 0.00 0.00 -1.81 0.12 0.00 0.00 177.20 175.51 2kjs s ASP 17 N -1.71 4.19 0.01 1.67 1.01 -0.99 -4.99 116.67 115.86 2kjs s ASP 17 Ca 0.00 0.54 -0.10 0.00 0.71 0.00 0.00 52.55 53.70 2kjs s ASP 17 Cb 0.00 -0.93 -0.05 0.00 1.01 0.00 0.00 42.92 42.94 2kjs s ASP 17 CO 0.00 -2.07 0.88 -2.24 0.21 0.00 0.00 175.17 171.96 2kjs h ASP 18 N -1.11 -0.30 -0.87 0.27 2.03 -1.90 -3.46 116.42 111.09 2kjs h ASP 18 Ca -0.45 0.01 0.06 0.00 -0.73 0.00 0.00 57.03 55.92 2kjs h ASP 18 Cb 1.30 0.08 -0.21 0.00 -0.83 0.00 0.00 39.33 39.67 2kjs h ASP 18 CO 0.56 -0.17 -0.32 -0.44 -1.03 0.00 0.00 179.24 177.85 2kjs s SER 19 N -3.02 -1.43 -0.06 4.15 0.01 -1.26 -4.99 113.70 107.10 2kjs s SER 19 Ca -0.05 0.13 -0.27 0.00 1.31 0.00 0.00 55.95 57.07 2kjs s SER 19 Cb 0.01 1.90 -0.03 0.00 0.21 0.00 0.00 66.02 68.11 2kjs s SER 19 CO 0.16 -0.26 0.87 -0.63 0.41 0.00 0.00 173.24 173.79 2kjs s ILE 20 N 2.81 4.92 -0.08 1.44 -1.09 -1.26 -5.03 121.20 122.91 2kjs s ILE 20 Ca 0.13 1.79 -0.20 0.00 -2.23 0.00 0.00 60.65 60.14 2kjs s ILE 20 Cb -0.08 -4.20 -0.04 0.00 -1.58 0.00 0.00 42.46 36.55 2kjs s ILE 20 CO -0.25 0.15 0.58 -0.69 -1.23 0.00 0.00 174.94 173.50 2kjs s VAL 21 N 1.22 5.09 -0.12 2.92 1.01 -1.26 -4.92 120.40 124.34 2kjs s VAL 21 Ca 0.45 1.18 -0.03 0.00 0.00 0.00 0.00 61.98 63.57 2kjs s VAL 21 Cb -0.19 -3.92 -0.03 0.00 0.00 0.00 0.00 36.38 32.24 2kjs s VAL 21 CO 0.21 0.32 0.01 -0.76 0.00 0.00 0.00 175.10 174.88 2kjs s LEU 22 N 0.54 3.56 0.22 3.92 1.43 -1.26 -5.07 118.68 122.03 2kjs s LEU 22 Ca 0.31 0.07 0.01 0.00 -1.03 0.00 0.00 54.13 53.49 2kjs s LEU 22 Cb -0.17 -1.84 -0.05 0.00 0.03 0.00 0.00 46.19 44.16 2kjs s LEU 22 CO 0.14 0.29 0.07 0.42 0.23 0.00 0.00 176.35 177.50 2kjs s THR 23 N -0.34 0.53 0.25 5.49 -4.23 -1.26 -5.03 115.64 111.05 2kjs s THR 23 Ca 0.07 -1.99 -0.04 0.00 -1.18 0.00 0.00 61.69 58.55 2kjs s THR 23 Cb -0.12 -2.44 0.13 0.00 1.34 0.00 0.00 72.50 71.41 2kjs s THR 23 CO 0.02 -0.17 1.78 0.03 -0.54 0.00 0.00 174.62 175.74 2kjs h ARG 24 N 2.52 0.92 0.00 3.99 3.08 -2.00 -2.05 114.38 120.83 2kjs h ARG 24 Ca -0.37 -0.21 0.00 0.00 0.07 0.00 0.00 59.98 59.46 2kjs h ARG 24 Cb 1.23 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 31.16 2kjs h ARG 24 CO 0.61 0.84 0.00 -0.85 -1.07 0.00 0.00 179.97 179.50 2kjs n GLU 25 N -4.25 0.38 -1.80 0.04 -0.00 -1.26 -4.66 120.64 109.10 2kjs n GLU 25 Ca 0.04 0.03 -0.41 0.00 -0.00 0.00 0.00 57.16 56.82 2kjs n GLU 25 Cb 0.25 -1.50 -0.01 0.00 -0.00 0.00 0.00 31.44 30.18 2kjs n GLU 25 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.13 178.12 2kjs s THR 26 N -2.56 2.12 0.18 3.84 2.01 -0.77 -4.98 115.64 115.47 2kjs s THR 26 Ca 0.25 0.10 -0.14 0.00 0.31 0.00 0.00 61.69 62.21 2kjs s THR 26 Cb 0.18 -3.06 0.02 0.00 0.01 0.00 0.00 72.50 69.64 2kjs s THR 26 CO 0.41 0.02 0.43 -0.94 -0.69 0.00 0.00 174.62 173.84 2kjs s SER 27 N 0.42 -0.15 0.49 3.53 1.04 -1.26 -4.09 113.70 113.67 2kjs s SER 27 Ca 0.62 -0.61 0.15 0.00 0.48 0.00 0.00 55.95 56.59 2kjs s SER 27 Cb -0.47 0.52 1.17 0.00 0.10 0.00 0.00 66.02 67.34 2kjs s SER 27 CO 0.49 -0.99 2.08 0.00 0.98 0.00 0.00 173.24 175.81 2kjs h ALA 28 N 2.33 2.01 -0.82 5.32 0.00 -1.94 -1.14 119.26 125.01 2kjs h ALA 28 Ca -0.30 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.56 2kjs h ALA 28 Cb 1.25 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.96 2kjs h ALA 28 CO 0.42 -0.06 0.38 -0.91 0.00 0.00 0.00 179.25 179.08 2kjs h ASN 29 N 0.18 1.09 -0.73 0.00 2.35 -1.95 -2.66 115.58 113.87 2kjs h ASN 29 Ca 0.11 -0.15 -0.02 0.00 -0.55 0.00 0.00 56.30 55.70 2kjs h ASN 29 Cb 0.21 -0.28 -0.03 0.00 0.05 0.00 0.00 38.32 38.26 2kjs h ASN 29 CO -0.02 0.94 0.39 0.44 -1.65 0.00 0.00 177.43 177.53 2kjs h ASP 30 N 1.18 0.92 -3.62 5.81 3.32 -1.59 -3.39 116.42 119.05 2kjs h ASP 30 Ca 0.28 -0.10 -0.68 0.00 0.02 0.00 0.00 57.03 56.55 2kjs h ASP 30 Cb 0.15 -0.23 -0.26 0.00 0.22 0.00 0.00 39.33 39.21 2kjs h ASP 30 CO -0.03 0.75 -0.60 -0.63 -1.72 0.00 0.00 179.24 177.01 2kjs s ILE 31 N -5.83 4.08 -0.27 0.35 1.01 -1.00 -4.95 121.20 114.60 2kjs s ILE 31 Ca -0.13 -0.72 0.27 0.00 0.00 0.00 0.00 60.65 60.08 2kjs s ILE 31 Cb 0.15 -3.14 0.35 0.00 0.01 0.00 0.00 42.46 39.82 2kjs s ILE 31 CO 0.80 0.02 1.78 0.44 0.00 0.00 0.00 174.94 177.98 2kjs h ASP 32 N 8.27 0.00 0.00 3.58 3.32 -1.76 -2.94 116.42 126.88 2kjs h ASP 32 Ca -0.30 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.75 2kjs h ASP 32 Cb 1.12 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.67 2kjs h ASP 32 CO 0.61 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 178.13 2kjs n ALA 33 N -2.04 2.20 -3.06 3.45 0.00 -1.26 -4.35 120.51 115.44 2kjs n ALA 33 Ca 0.03 -0.11 -0.45 0.00 0.00 0.00 0.00 53.44 52.91 2kjs n ALA 33 Cb 0.41 -1.28 -0.01 0.00 0.00 0.00 0.00 19.45 18.57 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 -2.00 3.55 0.64 0.00 -0.11 -1.11 -4.95 118.94 114.96 2kjs s TRP 34 Ca 0.26 -1.96 -0.05 0.00 1.22 0.00 0.00 56.10 55.56 2kjs s TRP 34 Cb 0.12 -4.15 0.04 0.00 -1.50 0.00 0.00 33.47 27.98 2kjs s TRP 34 CO 0.20 -1.29 0.94 -0.51 -4.62 0.00 0.00 176.95 171.66 2kjs s ASP 35 N 2.74 5.14 0.19 5.86 1.01 -1.26 -4.93 116.67 125.42 2kjs s ASP 35 Ca 0.34 0.46 -0.12 0.00 0.71 0.00 0.00 52.55 53.94 2kjs s ASP 35 Cb -0.06 -1.26 0.11 0.00 1.01 0.00 0.00 42.92 42.72 2kjs s ASP 35 CO -0.06 -1.35 1.83 0.28 0.21 0.00 0.00 175.17 176.09 2kjs h SER 36 N -0.35 0.79 -0.71 0.27 0.02 -1.98 -1.94 113.55 109.65 2kjs h SER 36 Ca -0.44 -0.06 -0.06 0.00 -0.84 0.00 0.00 61.79 60.39 2kjs h SER 36 Cb 1.29 -0.20 -0.03 0.00 0.14 0.00 0.00 62.40 63.60 2kjs h SER 36 CO 0.59 0.61 0.21 -0.07 -1.14 0.00 0.00 176.83 177.03 2kjs h LEU 37 N 0.89 1.06 -0.72 5.07 3.38 -2.00 -2.73 115.31 120.26 2kjs h LEU 37 Ca 0.24 -0.21 0.00 0.00 0.09 0.00 0.00 57.88 58.00 2kjs h LEU 37 Cb -0.03 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.41 2kjs h LEU 37 CO -0.04 0.99 0.46 -1.28 0.09 0.00 0.00 178.44 178.66 2kjs h SER 38 N 1.08 0.84 -1.01 -0.43 0.87 -1.81 -2.15 113.55 110.95 2kjs h SER 38 Ca 0.23 -0.04 0.03 0.00 -1.23 0.00 0.00 61.79 60.78 2kjs h SER 38 Cb 0.32 -0.21 -0.06 0.00 -0.44 0.00 0.00 62.40 62.02 2kjs h SER 38 CO -0.00 0.63 0.66 -0.74 -0.53 0.00 0.00 176.83 176.85 2kjs h HIS 39 N 0.98 1.24 -0.74 2.24 -0.00 -1.08 -1.61 115.15 116.17 2kjs h HIS 39 Ca 0.26 0.03 -0.01 0.00 -0.00 0.00 0.00 60.37 60.65 2kjs h HIS 39 Cb -0.08 -0.42 -0.04 0.00 -0.00 0.00 0.00 27.41 26.88 2kjs h HIS 39 CO -0.02 0.73 0.40 1.98 -0.00 0.00 0.00 177.93 181.03 2kjs h MET 40 N 1.29 1.03 -0.87 5.26 -1.53 -1.13 -2.30 114.93 116.68 2kjs h MET 40 Ca 0.39 -0.11 -0.01 0.00 -3.44 0.00 0.00 59.70 56.53 2kjs h MET 40 Cb -0.04 -0.21 -0.04 0.00 -0.55 0.00 0.00 31.60 30.77 2kjs h MET 40 CO -0.11 0.76 0.51 -0.97 0.14 0.00 0.00 176.91 177.23 2kjs h ASN 41 N 1.04 1.05 -0.69 1.39 -0.73 -0.89 -1.28 115.58 115.48 2kjs h ASN 41 Ca 0.26 -0.08 -0.04 0.00 1.87 0.00 0.00 56.30 58.32 2kjs h ASN 41 Cb 0.03 -0.27 -0.03 0.00 0.27 0.00 0.00 38.32 38.32 2kjs h ASN 41 CO -0.04 0.82 0.29 -0.07 -0.37 0.00 0.00 177.43 178.06 2kjs h LEU 42 N 1.20 0.94 -0.46 0.34 3.38 -1.14 -0.93 115.31 118.63 2kjs h LEU 42 Ca 0.31 -0.16 -0.04 0.00 0.09 0.00 0.00 57.88 58.08 2kjs h LEU 42 Cb -0.03 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.46 2kjs h LEU 42 CO -0.06 0.84 0.13 0.40 0.09 0.00 0.00 178.44 179.84 2kjs h ILE 43 N 0.98 1.23 -0.21 1.22 2.04 -1.06 0.47 117.51 122.17 2kjs h ILE 43 Ca 0.23 -0.78 -0.01 0.00 1.00 0.00 0.00 64.86 65.30 2kjs h ILE 43 Cb 0.18 0.87 -0.01 0.00 -0.74 0.00 0.00 36.82 37.12 2kjs h ILE 43 CO -0.02 0.28 0.09 0.58 0.00 0.00 0.00 178.15 179.08 2kjs h VAL 44 N 0.61 1.16 -0.34 1.67 2.07 -1.00 0.34 116.25 120.75 2kjs h VAL 44 Ca 0.15 -0.46 -0.02 0.00 0.82 0.00 0.00 66.70 67.18 2kjs h VAL 44 Cb 0.29 1.07 -0.02 0.00 -1.52 0.00 0.00 31.29 31.12 2kjs h VAL 44 CO -0.00 0.15 0.13 0.77 0.02 0.00 0.00 177.57 178.64 2kjs h SER 45 N 0.20 0.48 -0.57 0.57 4.64 -1.07 -1.14 113.55 116.65 2kjs h SER 45 Ca 0.07 -0.17 -0.07 0.00 -0.47 0.00 0.00 61.79 61.15 2kjs h SER 45 Cb 0.16 -0.12 -0.02 0.00 -0.31 0.00 0.00 62.40 62.10 2kjs h SER 45 CO -0.01 0.52 0.10 -0.07 -0.87 0.00 0.00 176.83 176.50 2kjs h LEU 46 N 0.41 0.90 0.14 5.97 3.38 -0.78 0.15 115.31 125.48 2kjs h LEU 46 Ca 0.11 -0.26 -0.01 0.00 0.09 0.00 0.00 57.88 57.82 2kjs h LEU 46 Cb 0.19 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.71 2kjs h LEU 46 CO -0.01 0.93 -0.07 -0.08 0.09 0.00 0.00 178.44 179.30 2kjs h GLU 47 N 0.84 -0.18 -0.37 1.13 4.81 -0.15 0.38 114.58 121.04 2kjs h GLU 47 Ca 0.17 0.01 -0.04 0.00 -0.13 0.00 0.00 59.36 59.38 2kjs h GLU 47 Cb 0.40 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.81 2kjs h GLU 47 CO 0.01 -0.09 0.08 0.28 -0.73 0.00 0.00 179.01 178.56 2kjs h VAL 48 N -0.23 1.23 -0.29 0.32 2.07 -1.14 1.61 116.25 119.82 2kjs h VAL 48 Ca -0.02 -0.79 -0.01 0.00 0.82 0.00 0.00 66.70 66.70 2kjs h VAL 48 Cb 0.18 1.04 -0.01 0.00 -1.52 0.00 0.00 31.29 30.98 2kjs h VAL 48 CO 0.03 0.27 0.13 -0.74 0.02 0.00 0.00 177.57 177.28 2kjs h HIS 49 N 0.45 0.43 -0.39 1.57 -0.00 -0.56 -2.78 115.15 113.87 2kjs h HIS 49 Ca 0.11 -0.03 0.00 0.00 -0.00 0.00 0.00 60.37 60.46 2kjs h HIS 49 Cb 0.32 -0.13 0.00 0.00 -0.00 0.00 0.00 27.41 27.60 2kjs h HIS 49 CO 0.02 0.40 0.00 0.66 -0.00 0.00 0.00 177.93 179.01 2kjs n TYR 50 N -4.77 0.50 -3.00 5.26 4.01 0.13 -4.99 117.16 114.31 2kjs n TYR 50 Ca -0.02 -0.25 -0.18 0.00 -0.16 0.00 0.00 57.90 57.29 2kjs n TYR 50 Cb 0.11 0.00 0.01 0.00 -0.31 0.00 0.00 39.34 39.15 2kjs n TYR 50 CO 0.00 0.00 0.00 0.36 -0.46 0.00 0.00 176.86 176.76 2kjs n LYS 51 N 1.09 -1.01 -2.66 -0.72 2.85 0.55 -4.93 118.16 113.32 2kjs n LYS 51 Ca 0.18 0.59 -0.06 0.00 -1.05 0.00 0.00 58.31 57.98 2kjs n LYS 51 Cb 0.50 -1.27 -0.02 0.00 -0.65 0.00 0.00 35.03 33.58 2kjs n LYS 51 CO 0.00 0.00 0.00 0.44 -0.05 0.00 0.00 177.40 177.79 2kjs n ILE 52 N -1.17 0.00 -4.44 0.58 -5.35 -0.99 -5.03 119.36 102.96 2kjs n ILE 52 Ca -0.14 -0.75 -0.25 0.00 -0.27 0.00 0.00 62.75 61.34 2kjs n ILE 52 Cb 0.42 0.38 -0.17 0.00 -1.74 0.00 0.00 39.64 38.53 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 -2.41 1.69 -0.08 6.28 2.47 -1.26 -4.89 119.74 121.54 2kjs s LYS 53 Ca 0.12 -0.39 -0.05 0.00 -1.56 0.00 0.00 55.97 54.10 2kjs s LYS 53 Cb 0.01 -1.47 -0.04 0.00 -1.46 0.00 0.00 37.83 34.87 2kjs s LYS 53 CO 0.09 -0.04 0.13 -0.06 0.16 0.00 0.00 175.35 175.63 2kjs s PHE 54 N 0.89 3.51 0.09 4.03 0.08 -1.26 -5.10 117.98 120.22 2kjs s PHE 54 Ca -0.10 0.43 0.01 0.00 0.12 0.00 0.00 56.93 57.38 2kjs s PHE 54 Cb -0.15 -1.88 -0.04 0.00 -0.57 0.00 0.00 43.02 40.38 2kjs s PHE 54 CO 0.01 0.67 0.23 0.00 -0.10 0.00 0.00 175.22 176.04 2kjs s ALA 55 N -1.10 3.99 0.18 5.36 0.00 -1.26 -5.02 121.76 123.92 2kjs s ALA 55 Ca 0.18 -0.88 -0.12 0.00 0.00 0.00 0.00 51.96 51.14 2kjs s ALA 55 Cb -0.12 -1.83 0.08 0.00 0.00 0.00 0.00 23.12 21.26 2kjs s ALA 55 CO 0.08 0.75 1.77 1.25 0.00 0.00 0.00 175.76 179.61 2kjs h LEU 56 N 2.82 0.78 -0.89 0.00 5.85 -1.99 -1.44 115.31 120.44 2kjs h LEU 56 Ca -0.46 -0.12 -0.04 0.00 0.84 0.00 0.00 57.88 58.10 2kjs h LEU 56 Cb 1.17 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 41.96 2kjs h LEU 56 CO 0.74 0.68 0.36 1.23 -0.34 0.00 0.00 178.44 181.11 2kjs h GLY 57 N 0.82 1.25 1.14 3.75 0.00 -1.98 -1.98 103.07 106.07 2kjs h GLY 57 Ca 0.21 -0.64 -0.12 0.00 0.00 0.00 0.00 47.33 46.78 2kjs h GLY 57 CO -0.03 0.60 -0.16 0.83 0.00 0.00 0.00 176.54 177.78 2kjs h GLU 58 N 1.15 0.99 -0.70 4.80 3.07 -1.90 -1.61 114.58 120.38 2kjs h GLU 58 Ca 0.27 -0.39 -0.04 0.00 -0.50 0.00 0.00 59.36 58.71 2kjs h GLU 58 Cb 0.15 -0.05 -0.03 0.00 -0.84 0.00 0.00 28.75 27.98 2kjs h GLU 58 CO -0.03 1.07 0.29 -0.07 -1.40 0.00 0.00 179.01 178.87 2kjs h LEU 59 N 0.87 0.96 -0.03 1.33 3.38 -0.93 -1.68 115.31 119.21 2kjs h LEU 59 Ca 0.12 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 57.93 2kjs h LEU 59 Cb 0.73 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.23 2kjs h LEU 59 CO 0.06 0.86 0.00 0.00 0.09 0.00 0.00 178.44 179.45 2kjs n GLN 60 N -4.38 0.05 0.00 1.13 1.13 -0.78 -2.68 117.38 111.86 2kjs n GLN 60 Ca 0.06 0.10 0.13 0.00 -1.94 0.00 0.00 57.00 55.34 2kjs n GLN 60 Cb 0.17 -1.57 0.39 0.00 0.11 0.00 0.00 30.24 29.34 2kjs n GLN 60 CO 0.00 0.00 0.00 1.17 -1.44 0.00 0.00 177.06 176.79 2kjs n LYS 61 N -1.67 0.55 0.00 -1.09 4.81 -0.62 -4.45 118.16 115.70 2kjs n LYS 61 Ca 0.06 -0.30 0.00 0.00 -0.87 0.00 0.00 58.31 57.20 2kjs n LYS 61 Cb 0.32 -1.49 0.00 0.00 0.02 0.00 0.00 35.03 33.88 2kjs n LYS 61 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 2kjs n LEU 62 N -0.96 0.82 0.00 3.14 4.77 -1.08 -4.76 117.00 118.92 2kjs n LEU 62 Ca 0.10 0.34 0.00 0.00 -0.03 0.00 0.00 56.01 56.42 2kjs n LEU 62 Cb 0.33 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.42 2kjs n LEU 62 CO 0.28 0.00 0.00 0.29 -1.33 0.00 0.00 177.39 176.63 2kjs n LYS 63 N -0.47 -1.27 -3.66 3.23 5.02 -1.26 -4.78 118.16 114.96 2kjs n LYS 63 Ca 0.00 0.23 -0.14 0.00 -2.02 0.00 0.00 58.31 56.37 2kjs n LYS 63 Cb 0.00 -3.98 -0.08 0.00 -0.02 0.00 0.00 35.03 30.95 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 -1.42 -0.56 0.15 4.39 3.84 -1.26 -4.99 114.94 115.09 2kjs s ASN 64 Ca 0.00 0.96 -0.14 0.00 0.21 0.00 0.00 52.86 53.89 2kjs s ASN 64 Cb 0.00 0.97 0.03 0.00 -0.55 0.00 0.00 41.25 41.70 2kjs s ASN 64 CO 0.00 -0.30 1.68 0.58 -2.79 0.00 0.00 177.10 176.27 2kjs h VAL 65 N 3.99 1.23 -0.62 -5.21 2.07 -1.88 -2.61 116.25 113.22 2kjs h VAL 65 Ca -0.28 -0.76 0.01 0.00 0.82 0.00 0.00 66.70 66.49 2kjs h VAL 65 Cb 1.17 0.78 -0.03 0.00 -1.52 0.00 0.00 31.29 31.69 2kjs h VAL 65 CO 0.21 0.28 0.41 1.23 0.02 0.00 0.00 177.57 179.72 2kjs h GLY 66 N 0.67 0.86 1.25 2.17 0.00 -1.85 -1.47 103.07 104.69 2kjs h GLY 66 Ca 0.16 -0.32 -0.04 0.00 0.00 0.00 0.00 47.33 47.13 2kjs h GLY 66 CO -0.01 0.31 0.22 -0.55 0.00 0.00 0.00 176.54 176.51 2kjs h ASP 67 N 0.82 0.88 -0.37 0.19 3.32 -1.78 -0.13 116.42 119.35 2kjs h ASP 67 Ca 0.23 -0.14 -0.01 0.00 0.02 0.00 0.00 57.03 57.13 2kjs h ASP 67 Cb -0.07 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.23 2kjs h ASP 67 CO -0.05 0.82 0.20 0.25 -1.72 0.00 0.00 179.24 178.73 2kjs h LEU 68 N 0.93 0.46 -0.66 1.55 5.85 -1.03 0.30 115.31 122.71 2kjs h LEU 68 Ca 0.21 -0.09 -0.10 0.00 0.84 0.00 0.00 57.88 58.73 2kjs h LEU 68 Cb 0.24 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.13 2kjs h LEU 68 CO -0.01 0.43 -0.09 0.00 -0.34 0.00 0.00 178.44 178.42 2kjs h ALA 69 N 1.06 0.86 -0.67 1.25 0.00 -1.16 -2.69 119.26 117.91 2kjs h ALA 69 Ca 0.13 -0.33 -0.05 0.00 0.00 0.00 0.00 54.91 54.66 2kjs h ALA 69 Cb 0.07 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 2kjs h ALA 69 CO -0.02 0.65 0.23 -0.44 0.00 0.00 0.00 179.25 179.67 2kjs h ASP 70 N 0.85 0.94 -0.75 0.00 3.32 -0.69 -2.48 116.42 117.61 2kjs h ASP 70 Ca 0.14 -0.15 -0.02 0.00 0.02 0.00 0.00 57.03 57.02 2kjs h ASP 70 Cb 0.63 -0.24 -0.04 0.00 0.22 0.00 0.00 39.33 39.90 2kjs h ASP 70 CO 0.04 0.86 0.40 0.25 -1.72 0.00 0.00 179.24 179.07 2kjs h LEU 71 N 0.98 0.95 -0.56 1.55 5.85 -0.68 -1.82 115.31 121.59 2kjs h LEU 71 Ca 0.22 -0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.84 2kjs h LEU 71 Cb 0.25 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.01 2kjs h LEU 71 CO -0.01 0.78 0.35 0.58 -0.34 0.00 0.00 178.44 179.80 2kjs h VAL 72 N 1.04 1.15 -0.74 1.05 2.07 -1.14 -1.94 116.25 117.75 2kjs h VAL 72 Ca 0.26 -0.31 -0.03 0.00 0.82 0.00 0.00 66.70 67.44 2kjs h VAL 72 Cb 0.05 0.36 -0.03 0.00 -1.52 0.00 0.00 31.29 30.15 2kjs h VAL 72 CO -0.04 0.15 0.36 0.44 0.02 0.00 0.00 177.57 178.50 2kjs h ASP 73 N 0.75 0.96 -0.51 0.57 3.32 -1.10 -1.46 116.42 118.94 2kjs h ASP 73 Ca 0.20 -0.11 -0.02 0.00 0.02 0.00 0.00 57.03 57.13 2kjs h ASP 73 Cb -0.06 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.23 2kjs h ASP 73 CO -0.04 0.81 0.25 0.11 -1.72 0.00 0.00 179.24 178.65 2kjs h LYS 74 N 1.05 0.74 -0.52 3.56 1.79 -0.78 0.53 116.57 122.94 2kjs h LYS 74 Ca 0.26 -0.11 -0.05 0.00 -2.18 0.00 0.00 60.65 58.57 2kjs h LYS 74 Cb 0.10 -0.13 -0.02 0.00 -1.58 0.00 0.00 32.23 30.60 2kjs h LYS 74 CO -0.03 0.61 0.13 0.87 -1.08 0.00 0.00 179.45 179.95 2kjs h LYS 75 N 0.68 0.82 -0.63 3.15 1.57 -1.01 -2.20 116.57 118.95 2kjs h LYS 75 Ca 0.18 -0.19 -0.04 0.00 -1.87 0.00 0.00 60.65 58.72 2kjs h LYS 75 Cb 0.11 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.28 2kjs h LYS 75 CO -0.02 0.78 0.24 -0.07 -0.57 0.00 0.00 179.45 179.81 2kjs h LEU 76 N 0.71 0.89 -0.64 2.94 3.38 -0.99 -1.73 115.31 119.87 2kjs h LEU 76 Ca 0.16 -0.18 0.01 0.00 0.09 0.00 0.00 57.88 57.96 2kjs h LEU 76 Cb 0.32 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.81 2kjs h LEU 76 CO 0.00 0.83 0.42 0.00 0.09 0.00 0.00 178.44 179.78 2kjs h ALA 77 N 1.09 0.81 -0.54 1.53 0.00 -0.70 0.71 119.26 122.16 2kjs h ALA 77 Ca 0.21 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.04 2kjs h ALA 77 Cb 0.23 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 2kjs h ALA 77 CO -0.01 0.25 0.22 -0.09 0.00 0.00 0.00 179.25 179.61 2kjs h ARG 78 N 0.87 0.81 -0.63 0.00 2.43 -1.15 -1.89 114.38 114.82 2kjs h ARG 78 Ca 0.23 -0.15 -0.06 0.00 -0.81 0.00 0.00 59.98 59.20 2kjs h ARG 78 Cb -0.09 -0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 29.30 2kjs h ARG 78 CO -0.05 0.71 0.17 -0.22 -1.51 0.00 0.00 179.97 179.07 2kjs h LYS 79 N 0.74 1.00 -0.66 0.20 3.64 -0.87 0.45 116.57 121.06 2kjs h LYS 79 Ca 0.18 -0.23 -0.03 0.00 -1.27 0.00 0.00 60.65 59.30 2kjs h LYS 79 Cb 0.20 -0.14 -0.03 0.00 -0.41 0.00 0.00 32.23 31.86 2kjs h LYS 79 CO -0.01 0.90 0.30 -0.07 -2.27 0.00 0.00 179.45 178.29 2kjs h LEU 80 N 0.92 0.88 -5.00 5.20 3.38 -0.64 -3.41 115.31 116.64 2kjs h LEU 80 Ca 0.20 -0.15 -0.06 0.00 0.09 0.00 0.00 57.88 57.96 2kjs h LEU 80 Cb 0.34 -0.23 -0.15 0.00 0.09 0.00 0.00 40.66 40.71 2kjs h LEU 80 CO -0.00 0.79 -0.26 -1.84 0.09 0.00 0.00 178.44 177.22 2kjs n GLU 81 N -4.44 0.28 -1.55 1.13 0.28 -0.73 -5.08 120.64 110.53 2kjs n GLU 81 Ca 0.05 -1.24 -0.14 0.00 -0.16 0.00 0.00 57.16 55.67 2kjs n GLU 81 Cb 0.15 -0.50 -0.09 0.00 1.43 0.00 0.00 31.44 32.43 2kjs n GLU 81 CO 0.00 0.00 0.00 1.58 -0.16 0.00 0.00 177.13 178.55 2kjs n HIS 82 N 2.60 0.99 -2.68 -1.84 -0.00 0.16 -4.35 115.22 110.09 2kjs n HIS 82 Ca 0.13 -0.06 -0.05 0.00 0.46 0.00 0.00 57.72 58.21 2kjs n HIS 82 Cb 0.62 -2.43 0.06 0.00 -0.12 0.00 0.00 29.99 28.12 2kjs n HIS 82 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38 2kjs n HIS 83 N 17.90 -1.13 -3.67 1.57 -0.00 -1.26 -5.09 115.22 123.53 2kjs n HIS 83 Ca 0.46 -1.15 -0.15 0.00 -0.00 0.00 0.00 57.72 56.88 2kjs n HIS 83 Cb 0.42 1.32 -0.08 0.00 -0.00 0.00 0.00 29.99 31.66 2kjs n HIS 83 CO 0.00 0.00 0.00 -3.38 -0.00 0.00 0.00 176.34 172.96 2kjs s HIS 84 N 0.10 -0.37 0.00 1.57 -0.00 -1.26 -5.13 115.29 110.19 2kjs s HIS 84 Ca 0.14 0.62 0.00 0.00 -0.00 0.00 0.00 55.06 55.82 2kjs s HIS 84 Cb 0.22 0.22 0.00 0.00 -0.00 0.00 0.00 32.58 33.02 2kjs s HIS 84 CO -0.08 -0.47 0.00 0.72 -0.00 0.00 0.00 174.74 174.91 2kjs n HIS 85 N 1.17 -0.86 -4.27 0.38 8.25 -1.26 -4.81 115.22 113.82 2kjs n HIS 85 Ca -0.20 0.00 -0.18 0.00 -0.26 0.00 0.00 57.72 57.08 2kjs n HIS 85 Cb 0.56 0.04 -0.15 0.00 1.12 0.00 0.00 29.99 31.56 2kjs n HIS 85 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 2kjs s HIS 86 N 0.00 0.67 0.00 4.41 3.76 -1.26 -5.22 115.29 117.64 2kjs s HIS 86 Ca 0.00 -0.13 0.00 0.00 -0.15 0.00 0.00 55.06 54.78 2kjs s HIS 86 Cb 0.00 -0.44 0.00 0.00 1.11 0.00 0.00 32.58 33.25 2kjs s HIS 86 CO 0.00 -0.02 0.00 0.72 -0.85 0.00 0.00 174.74 174.59