#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 3.90 -0.00 0.03 0.04 -1.26 -4.91 135.00 132.79 2kjs s PRO 2 Ca 0.00 0.82 -0.00 0.00 0.04 0.00 0.00 61.00 61.86 2kjs s PRO 2 Cb 0.00 -3.82 -0.00 0.00 0.04 0.00 0.00 34.50 30.72 2kjs s PRO 2 CO 0.00 -1.14 -0.01 0.25 0.04 0.00 0.00 177.00 176.14 2kjs n THR 3 N 6.35 0.04 -0.22 1.26 -2.24 -1.26 -4.01 114.28 114.20 2kjs n THR 3 Ca 0.12 0.47 -0.08 0.00 -2.27 0.00 0.00 64.05 62.29 2kjs n THR 3 Cb 0.48 -1.50 0.05 0.00 -2.10 0.00 0.00 70.33 67.25 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 -0.03 1.04 -1.76 3.22 3.38 -1.97 -0.73 115.31 118.47 2kjs h LEU 4 Ca 0.00 -0.27 -0.01 0.00 0.09 0.00 0.00 57.88 57.69 2kjs h LEU 4 Cb 0.03 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.50 2kjs h LEU 4 CO 0.00 1.06 -0.04 0.44 0.09 0.00 0.00 178.44 179.99 2kjs h ASP 5 N 0.99 0.00 0.27 -0.43 3.32 -1.96 0.61 116.42 119.21 2kjs h ASP 5 Ca 0.19 0.00 -0.34 0.00 0.02 0.00 0.00 57.03 56.90 2kjs h ASP 5 Cb 0.50 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.04 2kjs h ASP 5 CO 0.02 0.04 -1.78 0.00 -1.72 0.00 0.00 179.24 175.80 2kjs h ALA 6 N 1.96 0.34 0.00 3.45 0.00 -1.53 -3.36 119.26 120.13 2kjs h ALA 6 Ca -0.00 -1.25 0.00 0.00 0.00 0.00 0.00 54.91 53.66 2kjs h ALA 6 Cb 0.42 0.50 0.00 0.00 0.00 0.00 0.00 17.79 18.71 2kjs h ALA 6 CO 0.01 1.21 -0.57 1.28 0.00 0.00 0.00 179.25 181.18 2kjs n LEU 7 N -3.46 0.58 0.25 0.00 4.77 -0.34 -4.04 117.00 114.76 2kjs n LEU 7 Ca -0.24 0.13 -0.14 0.00 -0.03 0.00 0.00 56.01 55.73 2kjs n LEU 7 Cb 1.06 -0.22 -0.08 0.00 -2.33 0.00 0.00 43.42 41.85 2kjs n LEU 7 CO 0.48 0.03 0.49 0.74 -1.33 0.00 0.00 177.39 177.80 2kjs h THR 8 N 0.00 0.40 -0.99 -5.08 2.02 0.09 -2.25 112.91 107.10 2kjs h THR 8 Ca 0.00 -0.42 0.07 0.00 0.77 0.00 0.00 66.41 66.83 2kjs h THR 8 Cb 0.63 0.55 -0.07 0.00 -1.74 0.00 0.00 68.15 67.52 2kjs h THR 8 CO 0.00 0.06 0.63 1.55 0.37 0.00 0.00 175.52 178.13 2kjs h PRO 9 N -0.95 1.10 -0.39 6.66 0.13 -1.72 -0.92 132.00 135.91 2kjs h PRO 9 Ca -0.07 -0.07 -0.02 0.00 -0.87 0.00 0.00 66.00 64.97 2kjs h PRO 9 Cb 0.60 -0.25 -0.02 0.00 0.13 0.00 0.00 31.00 31.46 2kjs h PRO 9 CO 0.11 0.73 0.15 0.82 -0.23 0.00 0.00 178.00 179.58 2kjs h ILE 10 N 1.13 1.20 -0.67 -3.56 2.04 -1.69 -0.65 117.51 115.31 2kjs h ILE 10 Ca 0.44 -0.62 -0.08 0.00 1.00 0.00 0.00 64.86 65.60 2kjs h ILE 10 Cb 0.21 0.88 -0.03 0.00 -0.74 0.00 0.00 36.82 37.14 2kjs h ILE 10 CO -0.19 0.22 0.10 -0.26 0.00 0.00 0.00 178.15 178.03 2kjs h PHE 11 N 0.48 1.17 0.00 1.37 -1.00 -0.89 0.50 116.94 118.58 2kjs h PHE 11 Ca 0.13 -0.16 0.00 0.00 2.81 0.00 0.00 57.97 60.75 2kjs h PHE 11 Cb 0.20 -0.32 0.00 0.00 3.61 0.00 0.00 35.95 39.44 2kjs h PHE 11 CO 0.00 0.98 0.00 0.00 -1.61 0.00 0.00 178.31 177.68 2kjs h ARG 12 N 1.03 0.00 0.04 1.51 3.08 -0.92 -2.30 114.38 116.82 2kjs h ARG 12 Ca 0.20 0.00 -0.38 0.00 0.07 0.00 0.00 59.98 59.87 2kjs h ARG 12 Cb 0.44 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.44 2kjs h ARG 12 CO 0.01 0.00 -2.32 0.94 -1.07 0.00 0.00 179.97 177.53 2kjs n GLN 13 N -2.66 0.69 -0.06 0.04 -0.06 -0.27 -2.18 117.38 112.87 2kjs n GLN 13 Ca 0.01 0.19 -0.11 0.00 -2.00 0.00 0.00 57.00 55.09 2kjs n GLN 13 Cb 0.27 -1.58 -0.04 0.00 -4.06 0.00 0.00 30.24 24.82 2kjs n GLN 13 CO 0.00 0.00 0.00 0.28 -0.20 0.00 0.00 177.06 177.14 2kjs h VAL 14 N 0.02 1.19 0.00 1.69 2.07 0.03 -3.38 116.25 117.87 2kjs h VAL 14 Ca -0.53 -0.61 -0.23 0.00 0.82 0.00 0.00 66.70 66.15 2kjs h VAL 14 Cb 1.94 1.20 -0.04 0.00 -1.52 0.00 0.00 31.29 32.88 2kjs h VAL 14 CO -0.03 0.19 -1.84 0.33 0.02 0.00 0.00 177.57 176.24 2kjs n PHE 15 N -4.78 0.00 -3.22 1.57 -0.00 -0.87 -5.07 117.46 105.09 2kjs n PHE 15 Ca -0.04 0.00 -0.08 0.00 -0.00 0.00 0.00 57.45 57.33 2kjs n PHE 15 Cb 0.15 -0.55 0.00 0.00 -0.00 0.00 0.00 39.48 39.08 2kjs n PHE 15 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.76 173.29 2kjs n ASP 16 N -3.19 -7.07 0.00 -2.13 2.03 -0.93 -5.00 116.55 100.26 2kjs n ASP 16 Ca -0.27 -0.20 0.00 0.00 0.52 0.00 0.00 54.79 54.84 2kjs n ASP 16 Cb 0.75 -4.36 0.00 0.00 -0.72 0.00 0.00 41.12 36.79 2kjs n ASP 16 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 2kjs n ASP 17 N -1.70 0.00 0.00 1.67 -0.08 -1.26 -5.04 116.55 110.13 2kjs n ASP 17 Ca -0.06 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.22 2kjs n ASP 17 Cb 0.55 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.01 2kjs n ASP 17 CO 0.00 0.00 0.00 -0.90 0.12 0.00 0.00 177.20 176.42 2kjs n ASP 18 N -0.45 0.00 -2.73 1.67 5.75 -1.26 -5.05 116.55 114.49 2kjs n ASP 18 Ca 0.00 0.00 -0.06 0.00 -0.01 0.00 0.00 54.79 54.72 2kjs n ASP 18 Cb 0.00 0.10 0.04 0.00 -1.03 0.00 0.00 41.12 40.23 2kjs n ASP 18 CO 0.00 0.00 0.00 -0.24 -0.11 0.00 0.00 177.20 176.85 2kjs n SER 19 N -1.65 -2.56 -4.72 -1.12 2.88 -1.26 -5.14 113.62 100.04 2kjs n SER 19 Ca 0.00 -2.67 -0.41 0.00 -1.33 0.00 0.00 58.87 54.45 2kjs n SER 19 Cb 0.00 1.48 -0.04 0.00 -0.75 0.00 0.00 64.21 64.90 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 0.65 4.66 -0.07 2.46 1.01 -1.26 -5.05 121.20 123.59 2kjs s ILE 20 Ca 0.29 2.03 0.05 0.00 0.00 0.00 0.00 60.65 63.02 2kjs s ILE 20 Cb 0.16 -4.31 -0.00 0.00 0.01 0.00 0.00 42.46 38.32 2kjs s ILE 20 CO -0.16 0.26 -0.23 0.54 0.00 0.00 0.00 174.94 175.36 2kjs s VAL 21 N 0.37 1.92 -0.14 2.92 0.11 -1.26 -5.02 120.40 119.30 2kjs s VAL 21 Ca 0.48 -0.96 -0.05 0.00 -2.93 0.00 0.00 61.98 58.51 2kjs s VAL 21 Cb -0.22 -1.64 -0.04 0.00 -1.53 0.00 0.00 36.38 32.95 2kjs s VAL 21 CO 0.29 0.53 0.06 -0.76 -3.33 0.00 0.00 175.10 171.88 2kjs s LEU 22 N 0.13 3.85 0.19 2.54 1.43 -1.26 -5.07 118.68 120.49 2kjs s LEU 22 Ca -0.11 0.18 0.02 0.00 -1.03 0.00 0.00 54.13 53.19 2kjs s LEU 22 Cb -0.15 -1.94 -0.05 0.00 0.03 0.00 0.00 46.19 44.08 2kjs s LEU 22 CO 0.06 0.29 0.02 0.42 0.23 0.00 0.00 176.35 177.36 2kjs s THR 23 N -0.33 0.71 0.25 5.49 -4.23 -1.26 -5.03 115.64 111.24 2kjs s THR 23 Ca 0.09 -1.99 -0.04 0.00 -1.18 0.00 0.00 61.69 58.57 2kjs s THR 23 Cb -0.12 -2.23 0.15 0.00 1.34 0.00 0.00 72.50 71.64 2kjs s THR 23 CO 0.02 -0.38 1.80 0.03 -0.54 0.00 0.00 174.62 175.54 2kjs h ARG 24 N 2.62 0.95 0.00 3.99 3.08 -1.99 -1.18 114.38 121.85 2kjs h ARG 24 Ca -0.37 -0.19 0.00 0.00 0.07 0.00 0.00 59.98 59.48 2kjs h ARG 24 Cb 1.21 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 31.12 2kjs h ARG 24 CO 0.63 0.83 0.00 -0.85 -1.07 0.00 0.00 179.97 179.51 2kjs n GLU 25 N -4.27 0.47 -1.85 0.04 0.28 -1.26 -4.35 120.64 109.71 2kjs n GLU 25 Ca 0.05 0.03 -0.38 0.00 -0.16 0.00 0.00 57.16 56.70 2kjs n GLU 25 Cb 0.22 -1.50 0.03 0.00 1.43 0.00 0.00 31.44 31.63 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 -2.45 2.21 0.16 3.84 2.01 -0.45 -5.02 115.64 115.95 2kjs s THR 26 Ca 0.28 0.16 -0.13 0.00 0.31 0.00 0.00 61.69 62.31 2kjs s THR 26 Cb 0.18 -3.08 0.01 0.00 0.01 0.00 0.00 72.50 69.62 2kjs s THR 26 CO 0.38 -0.00 0.38 -0.94 -0.69 0.00 0.00 174.62 173.75 2kjs s SER 27 N -1.00 -0.10 0.28 3.53 1.04 -1.26 -4.05 113.70 112.14 2kjs s SER 27 Ca 0.70 -0.61 -0.02 0.00 0.48 0.00 0.00 55.95 56.50 2kjs s SER 27 Cb -0.39 0.48 0.41 0.00 0.10 0.00 0.00 66.02 66.62 2kjs s SER 27 CO 0.46 -0.92 1.93 0.00 0.98 0.00 0.00 173.24 175.69 2kjs h ALA 28 N 2.41 1.40 -0.69 5.32 0.00 -1.95 -1.63 119.26 124.12 2kjs h ALA 28 Ca -0.31 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.48 2kjs h ALA 28 Cb 1.24 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 18.67 2kjs h ALA 28 CO 0.45 0.52 0.16 -0.97 0.00 0.00 0.00 179.25 179.41 2kjs h ASN 29 N 1.17 1.05 -0.43 0.00 -0.73 -1.96 -2.63 115.58 112.05 2kjs h ASN 29 Ca 0.36 -0.23 -0.04 0.00 1.87 0.00 0.00 56.30 58.26 2kjs h ASN 29 Cb -0.02 -0.28 -0.02 0.00 0.27 0.00 0.00 38.32 38.27 2kjs h ASN 29 CO -0.10 1.01 0.14 -0.78 -0.37 0.00 0.00 177.43 177.33 2kjs h ASP 30 N 1.05 0.67 -3.62 1.15 3.58 -1.72 -3.39 116.42 114.15 2kjs h ASP 30 Ca 0.22 -0.10 -0.69 0.00 0.42 0.00 0.00 57.03 56.87 2kjs h ASP 30 Cb 0.38 -0.17 -0.23 0.00 1.72 0.00 0.00 39.33 41.03 2kjs h ASP 30 CO 0.00 0.65 -0.52 -0.63 -2.88 0.00 0.00 179.24 175.87 2kjs s ILE 31 N -5.23 4.75 0.24 2.25 1.01 -0.80 -4.95 121.20 118.47 2kjs s ILE 31 Ca -0.09 -0.60 0.02 0.00 0.00 0.00 0.00 60.65 59.97 2kjs s ILE 31 Cb 0.16 -3.54 -0.01 0.00 0.01 0.00 0.00 42.46 39.08 2kjs s ILE 31 CO 0.78 -0.11 1.60 -0.78 0.00 0.00 0.00 174.94 176.44 2kjs h ASP 32 N 8.43 0.45 0.00 3.58 1.82 -1.76 -2.69 116.42 126.25 2kjs h ASP 32 Ca -0.29 -0.21 0.00 0.00 -0.39 0.00 0.00 57.03 56.14 2kjs h ASP 32 Cb 1.13 -0.13 0.00 0.00 0.68 0.00 0.00 39.33 41.01 2kjs h ASP 32 CO 0.65 0.85 0.00 0.00 -1.61 0.00 0.00 179.24 179.13 2kjs n ALA 33 N -2.49 1.63 -3.12 -0.78 0.00 -1.26 -4.12 120.51 110.37 2kjs n ALA 33 Ca -0.02 -0.02 -0.45 0.00 0.00 0.00 0.00 53.44 52.95 2kjs n ALA 33 Cb 0.54 -1.05 -0.01 0.00 0.00 0.00 0.00 19.45 18.93 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 3.68 0.43 0.00 -0.11 -1.01 -5.01 118.94 114.92 2kjs s TRP 34 Ca 0.05 -2.11 -0.14 0.00 1.22 0.00 0.00 56.10 55.11 2kjs s TRP 34 Cb 0.02 -4.09 -0.08 0.00 -1.50 0.00 0.00 33.47 27.82 2kjs s TRP 34 CO 0.04 -1.22 0.85 -0.51 -4.62 0.00 0.00 176.95 171.49 2kjs s ASP 35 N 2.47 6.64 0.20 5.86 1.01 -1.26 -4.97 116.67 126.62 2kjs s ASP 35 Ca 0.33 1.36 -0.10 0.00 0.71 0.00 0.00 52.55 54.85 2kjs s ASP 35 Cb -0.06 -2.41 0.14 0.00 1.01 0.00 0.00 42.92 41.60 2kjs s ASP 35 CO -0.06 -0.43 1.85 0.28 0.21 0.00 0.00 175.17 177.03 2kjs h SER 36 N 1.38 0.87 -0.61 0.27 0.02 -1.96 -2.19 113.55 111.32 2kjs h SER 36 Ca -0.47 -0.05 -0.07 0.00 -0.84 0.00 0.00 61.79 60.36 2kjs h SER 36 Cb 1.18 -0.22 -0.03 0.00 0.14 0.00 0.00 62.40 63.48 2kjs h SER 36 CO 0.63 0.66 0.12 -0.07 -1.14 0.00 0.00 176.83 177.04 2kjs h LEU 37 N 1.00 0.97 -2.93 5.07 3.38 -2.01 -1.88 115.31 118.90 2kjs h LEU 37 Ca 0.26 -0.21 0.00 0.00 0.09 0.00 0.00 57.88 58.03 2kjs h LEU 37 Cb -0.06 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.44 2kjs h LEU 37 CO -0.05 0.95 0.00 -1.28 0.09 0.00 0.00 178.44 178.15 2kjs h SER 38 N 0.96 0.00 -0.41 -0.43 0.87 -1.79 -1.84 113.55 110.91 2kjs h SER 38 Ca 0.20 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.75 2kjs h SER 38 Cb 0.39 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.33 2kjs h SER 38 CO 0.01 0.00 0.24 -0.74 -0.53 0.00 0.00 176.83 175.81 2kjs h HIS 39 N 0.00 0.54 -0.77 2.24 -0.00 -1.08 -0.29 115.15 115.80 2kjs h HIS 39 Ca 0.00 -0.00 -0.05 0.00 -0.00 0.00 0.00 60.37 60.31 2kjs h HIS 39 Cb 0.01 -0.18 -0.03 0.00 -0.00 0.00 0.00 27.41 27.21 2kjs h HIS 39 CO 0.00 0.39 0.27 0.52 -0.00 0.00 0.00 177.93 179.12 2kjs h MET 40 N 0.53 1.17 -0.81 5.26 2.07 -1.46 -1.98 114.93 119.70 2kjs h MET 40 Ca 0.15 -0.23 -0.03 0.00 -2.07 0.00 0.00 59.70 57.51 2kjs h MET 40 Cb 0.01 -0.18 -0.04 0.00 -1.87 0.00 0.00 31.60 29.53 2kjs h MET 40 CO -0.03 0.97 0.37 -0.91 1.07 0.00 0.00 176.91 178.39 2kjs h ASN 41 N 1.13 1.08 -0.67 1.22 2.35 -1.43 -1.26 115.58 118.00 2kjs h ASN 41 Ca 0.25 -0.15 -0.03 0.00 -0.55 0.00 0.00 56.30 55.82 2kjs h ASN 41 Cb 0.26 -0.28 -0.03 0.00 0.05 0.00 0.00 38.32 38.32 2kjs h ASN 41 CO -0.01 0.93 0.28 -0.07 -1.65 0.00 0.00 177.43 176.90 2kjs h LEU 42 N 1.16 0.91 -0.57 1.61 3.38 -0.66 -1.71 115.31 119.44 2kjs h LEU 42 Ca 0.28 -0.16 -0.04 0.00 0.09 0.00 0.00 57.88 58.05 2kjs h LEU 42 Cb 0.14 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 2kjs h LEU 42 CO -0.03 0.82 0.21 0.40 0.09 0.00 0.00 178.44 179.93 2kjs h ILE 43 N 0.94 1.23 -0.29 1.22 1.08 -0.96 0.81 117.51 121.55 2kjs h ILE 43 Ca 0.22 -0.74 0.00 0.00 -0.39 0.00 0.00 64.86 63.96 2kjs h ILE 43 Cb 0.18 0.65 -0.01 0.00 -3.07 0.00 0.00 36.82 34.57 2kjs h ILE 43 CO -0.02 0.28 0.19 0.58 -0.69 0.00 0.00 178.15 178.49 2kjs h VAL 44 N 0.78 1.08 -0.50 1.67 2.07 -0.91 0.47 116.25 120.92 2kjs h VAL 44 Ca 0.19 -0.16 -0.06 0.00 0.82 0.00 0.00 66.70 67.49 2kjs h VAL 44 Cb 0.23 0.67 -0.02 0.00 -1.52 0.00 0.00 31.29 30.65 2kjs h VAL 44 CO -0.01 0.08 0.06 0.77 0.02 0.00 0.00 177.57 178.49 2kjs h SER 45 N 0.39 0.81 -0.64 0.57 4.64 -1.11 -2.43 113.55 115.77 2kjs h SER 45 Ca 0.11 -0.27 -0.06 0.00 -0.47 0.00 0.00 61.79 61.09 2kjs h SER 45 Cb -0.03 -0.22 -0.03 0.00 -0.31 0.00 0.00 62.40 61.81 2kjs h SER 45 CO -0.02 0.88 0.16 -0.07 -0.87 0.00 0.00 176.83 176.91 2kjs h LEU 46 N 0.71 0.97 -0.01 5.97 3.38 -0.52 0.29 115.31 126.11 2kjs h LEU 46 Ca 0.15 -0.23 0.01 0.00 0.09 0.00 0.00 57.88 57.90 2kjs h LEU 46 Cb 0.43 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.90 2kjs h LEU 46 CO 0.01 0.95 -0.07 -0.08 0.09 0.00 0.00 178.44 179.34 2kjs h GLU 47 N 0.95 -0.12 -0.35 1.13 4.57 0.12 0.19 114.58 121.06 2kjs h GLU 47 Ca 0.20 0.01 -0.06 0.00 -1.18 0.00 0.00 59.36 58.33 2kjs h GLU 47 Cb 0.35 0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 28.96 2kjs h GLU 47 CO 0.00 -0.08 -0.03 0.28 -1.18 0.00 0.00 179.01 178.00 2kjs h VAL 48 N -0.13 1.27 -0.17 0.32 2.07 -1.34 1.91 116.25 120.18 2kjs h VAL 48 Ca 0.03 -1.04 0.00 0.00 0.82 0.00 0.00 66.70 66.52 2kjs h VAL 48 Cb 0.17 1.24 -0.01 0.00 -1.52 0.00 0.00 31.29 31.17 2kjs h VAL 48 CO -0.08 0.34 0.11 0.45 0.02 0.00 0.00 177.57 178.41 2kjs h HIS 49 N 0.44 0.21 0.00 1.57 3.86 -0.71 -2.89 115.15 117.63 2kjs h HIS 49 Ca 0.10 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.31 2kjs h HIS 49 Cb 0.50 -0.07 0.00 0.00 1.06 0.00 0.00 27.41 28.90 2kjs h HIS 49 CO 0.04 0.14 -0.76 1.88 0.86 0.00 0.00 177.93 180.09 2kjs h TYR 50 N 0.23 0.00 -5.76 2.45 0.05 -0.62 -3.49 116.97 109.83 2kjs h TYR 50 Ca 0.06 0.00 -0.33 0.00 0.05 0.00 0.00 58.73 58.51 2kjs h TYR 50 Cb -0.02 0.00 0.15 0.00 1.01 0.00 0.00 36.73 37.87 2kjs h TYR 50 CO -0.06 0.00 -0.86 1.17 -1.05 0.00 0.00 178.16 177.35 2kjs n LYS 51 N -2.34 -3.06 -1.08 4.88 4.81 0.64 -5.01 118.16 117.01 2kjs n LYS 51 Ca 0.02 0.73 0.00 0.00 -0.87 0.00 0.00 58.31 58.19 2kjs n LYS 51 Cb 0.48 -5.34 0.00 0.00 0.02 0.00 0.00 35.03 30.20 2kjs n LYS 51 CO 0.00 0.00 0.00 0.44 1.17 0.00 0.00 177.40 179.01 2kjs n ILE 52 N -3.75 0.00 -4.25 3.15 -5.35 -1.00 -5.03 119.36 103.13 2kjs n ILE 52 Ca -0.14 0.00 -0.21 0.00 -0.27 0.00 0.00 62.75 62.13 2kjs n ILE 52 Cb 0.63 0.00 -0.16 0.00 -1.74 0.00 0.00 39.64 38.37 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 -0.63 1.02 -0.03 6.28 2.20 -1.26 -4.86 119.74 122.47 2kjs s LYS 53 Ca 0.00 -0.17 -0.03 0.00 -0.36 0.00 0.00 55.97 55.41 2kjs s LYS 53 Cb 0.00 -0.96 -0.04 0.00 -1.51 0.00 0.00 37.83 35.32 2kjs s LYS 53 CO 0.00 -0.06 0.15 -0.06 -0.36 0.00 0.00 175.35 175.03 2kjs s PHE 54 N 0.86 3.50 -0.05 4.03 0.08 -1.26 -5.11 117.98 120.04 2kjs s PHE 54 Ca -0.12 0.35 0.02 0.00 0.12 0.00 0.00 56.93 57.30 2kjs s PHE 54 Cb -0.15 -1.83 -0.03 0.00 -0.57 0.00 0.00 43.02 40.45 2kjs s PHE 54 CO 0.01 0.64 -0.08 0.00 -0.10 0.00 0.00 175.22 175.69 2kjs s ALA 55 N -1.25 2.96 0.20 5.36 0.00 -1.26 -5.02 121.76 122.74 2kjs s ALA 55 Ca 0.24 -0.92 -0.10 0.00 0.00 0.00 0.00 51.96 51.18 2kjs s ALA 55 Cb -0.12 -1.18 0.13 0.00 0.00 0.00 0.00 23.12 21.94 2kjs s ALA 55 CO 0.15 0.58 1.78 -0.07 0.00 0.00 0.00 175.76 178.20 2kjs h LEU 56 N 5.12 0.97 -0.92 0.00 3.38 -1.99 -2.02 115.31 119.85 2kjs h LEU 56 Ca -0.48 -0.15 0.11 0.00 0.09 0.00 0.00 57.88 57.45 2kjs h LEU 56 Cb 1.17 -0.25 -0.08 0.00 0.09 0.00 0.00 40.66 41.59 2kjs h LEU 56 CO 0.52 0.85 0.55 1.23 0.09 0.00 0.00 178.44 181.68 2kjs h GLY 57 N 1.02 1.47 0.71 0.83 0.00 -1.98 0.38 103.07 105.51 2kjs h GLY 57 Ca 0.25 -0.37 -0.06 0.00 0.00 0.00 0.00 47.33 47.14 2kjs h GLY 57 CO -0.03 0.14 -0.17 0.83 0.00 0.00 0.00 176.54 177.31 2kjs h GLU 58 N 0.89 0.33 -0.65 4.80 5.08 -1.89 -3.17 114.58 119.98 2kjs h GLU 58 Ca 0.45 -0.19 -0.03 0.00 -1.00 0.00 0.00 59.36 58.58 2kjs h GLU 58 Cb 0.43 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.67 2kjs h GLU 58 CO -0.26 0.77 0.27 -0.07 -1.00 0.00 0.00 179.01 178.72 2kjs h LEU 59 N -0.08 0.88 -0.25 1.33 3.38 -0.75 -1.43 115.31 118.40 2kjs h LEU 59 Ca 0.01 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 57.82 2kjs h LEU 59 Cb 0.73 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.25 2kjs h LEU 59 CO 0.04 0.80 0.00 0.00 0.09 0.00 0.00 178.44 179.37 2kjs n GLN 60 N -4.43 0.03 0.00 1.13 6.02 0.13 -0.55 117.38 119.71 2kjs n GLN 60 Ca 0.04 0.48 0.10 0.00 -0.01 0.00 0.00 57.00 57.62 2kjs n GLN 60 Cb 0.16 -1.59 -0.08 0.00 1.02 0.00 0.00 30.24 29.75 2kjs n GLN 60 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 2kjs n LYS 61 N -1.64 0.13 -2.89 -1.09 5.02 -0.55 -4.93 118.16 112.21 2kjs n LYS 61 Ca 0.00 -0.03 -0.40 0.00 -2.02 0.00 0.00 58.31 55.87 2kjs n LYS 61 Cb 0.04 -1.51 -0.06 0.00 -0.02 0.00 0.00 35.03 33.48 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 -3.32 4.59 0.00 -0.35 1.02 0.29 -4.92 118.68 115.99 2kjs s LEU 62 Ca 0.05 1.74 0.00 0.00 0.02 0.00 0.00 54.13 55.94 2kjs s LEU 62 Cb 0.16 -3.41 0.00 0.00 0.02 0.00 0.00 46.19 42.95 2kjs s LEU 62 CO 0.86 0.16 0.51 2.29 0.02 0.00 0.00 176.35 180.19 2kjs n LYS 63 N 1.76 0.00 -3.65 1.70 2.85 -1.26 -5.02 118.16 114.53 2kjs n LYS 63 Ca -0.04 -0.45 -0.15 0.00 -1.05 0.00 0.00 58.31 56.62 2kjs n LYS 63 Cb 0.48 -0.33 -0.07 0.00 -0.65 0.00 0.00 35.03 34.46 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 -0.24 -0.39 0.15 -5.58 3.84 -1.26 -5.01 114.94 106.45 2kjs s ASN 64 Ca 0.00 0.35 -0.14 0.00 0.21 0.00 0.00 52.86 53.28 2kjs s ASN 64 Cb 0.00 0.41 0.04 0.00 -0.55 0.00 0.00 41.25 41.15 2kjs s ASN 64 CO 0.00 -0.53 1.69 0.58 -2.79 0.00 0.00 177.10 176.05 2kjs h VAL 65 N 3.44 1.22 -1.00 -5.21 2.07 -1.85 -2.66 116.25 112.26 2kjs h VAL 65 Ca -0.29 -0.72 0.08 0.00 0.82 0.00 0.00 66.70 66.60 2kjs h VAL 65 Cb 1.16 0.74 -0.07 0.00 -1.52 0.00 0.00 31.29 31.61 2kjs h VAL 65 CO 0.40 0.27 0.64 1.23 0.02 0.00 0.00 177.57 180.13 2kjs h GLY 66 N 0.68 1.55 1.27 2.17 0.00 -1.84 -0.72 103.07 106.18 2kjs h GLY 66 Ca 0.17 -0.46 -0.04 0.00 0.00 0.00 0.00 47.33 47.00 2kjs h GLY 66 CO -0.01 0.28 0.22 -1.80 0.00 0.00 0.00 176.54 175.22 2kjs h ASP 67 N 1.11 0.86 -0.66 0.19 1.82 -1.87 -2.28 116.42 115.58 2kjs h ASP 67 Ca 0.45 -0.13 -0.03 0.00 -0.39 0.00 0.00 57.03 56.94 2kjs h ASP 67 Cb 0.28 -0.22 -0.03 0.00 0.68 0.00 0.00 39.33 40.04 2kjs h ASP 67 CO -0.20 0.79 0.31 0.25 -1.61 0.00 0.00 179.24 178.78 2kjs h LEU 68 N 0.91 0.87 -0.72 2.28 6.46 -0.86 -0.98 115.31 123.27 2kjs h LEU 68 Ca 0.21 -0.14 -0.03 0.00 -0.12 0.00 0.00 57.88 57.80 2kjs h LEU 68 Cb 0.23 -0.22 -0.03 0.00 -0.73 0.00 0.00 40.66 39.90 2kjs h LEU 68 CO -0.01 0.76 0.33 0.00 -0.62 0.00 0.00 178.44 178.90 2kjs h ALA 69 N 1.14 0.92 -0.40 1.25 0.00 -1.00 -2.29 119.26 118.88 2kjs h ALA 69 Ca 0.23 -0.16 -0.07 0.00 0.00 0.00 0.00 54.91 54.91 2kjs h ALA 69 Cb 0.13 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 2kjs h ALA 69 CO -0.03 0.50 -0.06 0.22 0.00 0.00 0.00 179.25 179.89 2kjs h ASP 70 N 1.01 0.64 -0.59 0.00 1.82 -1.07 -2.59 116.42 115.63 2kjs h ASP 70 Ca 0.24 -0.16 -0.01 0.00 -0.39 0.00 0.00 57.03 56.71 2kjs h ASP 70 Cb 0.14 -0.17 -0.03 0.00 0.68 0.00 0.00 39.33 39.95 2kjs h ASP 70 CO -0.03 0.75 0.34 0.25 -1.61 0.00 0.00 179.24 178.95 2kjs h LEU 71 N 0.62 0.73 -0.36 2.28 5.85 -0.65 0.86 115.31 124.63 2kjs h LEU 71 Ca 0.12 -0.08 -0.01 0.00 0.84 0.00 0.00 57.88 58.75 2kjs h LEU 71 Cb 0.48 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.31 2kjs h LEU 71 CO 0.02 0.59 0.19 0.58 -0.34 0.00 0.00 178.44 179.49 2kjs h VAL 72 N 0.80 1.15 -0.62 1.05 2.07 -1.17 -1.74 116.25 117.78 2kjs h VAL 72 Ca 0.21 -0.39 -0.05 0.00 0.82 0.00 0.00 66.70 67.29 2kjs h VAL 72 Cb 0.01 0.75 -0.03 0.00 -1.52 0.00 0.00 31.29 30.50 2kjs h VAL 72 CO -0.04 0.15 0.19 0.44 0.02 0.00 0.00 177.57 178.33 2kjs h ASP 73 N 0.46 0.88 -0.25 0.57 3.32 -1.15 -1.32 116.42 118.92 2kjs h ASP 73 Ca 0.13 -0.15 -0.00 0.00 0.02 0.00 0.00 57.03 57.03 2kjs h ASP 73 Cb 0.07 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.38 2kjs h ASP 73 CO -0.02 0.83 0.16 0.50 -1.72 0.00 0.00 179.24 178.99 2kjs h LYS 74 N 0.91 0.34 -0.53 3.56 3.64 -0.41 0.21 116.57 124.30 2kjs h LYS 74 Ca 0.20 -0.03 -0.05 0.00 -1.27 0.00 0.00 60.65 59.51 2kjs h LYS 74 Cb 0.27 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.00 2kjs h LYS 74 CO -0.01 0.26 0.14 0.87 -2.27 0.00 0.00 179.45 178.44 2kjs h LYS 75 N 0.32 0.83 -0.65 1.90 1.57 -1.09 -1.97 116.57 117.48 2kjs h LYS 75 Ca 0.09 -0.19 -0.04 0.00 -1.87 0.00 0.00 60.65 58.64 2kjs h LYS 75 Cb 0.00 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.17 2kjs h LYS 75 CO -0.02 0.78 0.23 -0.07 -0.57 0.00 0.00 179.45 179.81 2kjs h LEU 76 N 0.73 0.92 -0.71 2.94 3.38 -0.97 -1.84 115.31 119.76 2kjs h LEU 76 Ca 0.17 -0.19 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 2kjs h LEU 76 Cb 0.31 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.79 2kjs h LEU 76 CO -0.00 0.86 0.43 0.00 0.09 0.00 0.00 178.44 179.81 2kjs h ALA 77 N 1.09 0.91 -0.42 1.53 0.00 -0.38 0.16 119.26 122.15 2kjs h ALA 77 Ca 0.21 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 2kjs h ALA 77 Cb 0.25 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 2kjs h ALA 77 CO -0.01 0.39 0.21 0.00 0.00 0.00 0.00 179.25 179.83 2kjs h ARG 78 N 0.97 0.59 -0.43 0.00 3.08 -1.05 0.18 114.38 117.74 2kjs h ARG 78 Ca 0.26 -0.08 -0.05 0.00 0.07 0.00 0.00 59.98 60.17 2kjs h ARG 78 Cb -0.02 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 29.90 2kjs h ARG 78 CO -0.05 0.50 0.07 0.87 -1.07 0.00 0.00 179.97 180.29 2kjs h LYS 79 N 0.53 0.70 -0.55 0.04 1.57 -0.97 0.17 116.57 118.07 2kjs h LYS 79 Ca 0.14 -0.19 -0.04 0.00 -1.87 0.00 0.00 60.65 58.70 2kjs h LYS 79 Cb 0.10 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.30 2kjs h LYS 79 CO -0.02 0.74 0.21 -0.07 -0.57 0.00 0.00 179.45 179.73 2kjs h LEU 80 N 0.56 0.77 -0.79 2.94 3.38 -0.47 -2.68 115.31 119.02 2kjs h LEU 80 Ca 0.13 -0.18 -0.13 0.00 0.09 0.00 0.00 57.88 57.79 2kjs h LEU 80 Cb 0.38 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 2kjs h LEU 80 CO 0.01 0.74 -0.48 -0.33 0.09 0.00 0.00 178.44 178.47 2kjs h GLU 81 N 0.75 0.30 0.00 1.13 5.08 -0.50 -3.46 114.58 117.88 2kjs h GLU 81 Ca 0.18 -0.17 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 2kjs h GLU 81 Cb 0.22 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.48 2kjs h GLU 81 CO -0.01 0.72 0.00 1.58 -1.00 0.00 0.00 179.01 180.30 2kjs n HIS 82 N -3.97 0.00 -2.67 4.33 -0.00 0.59 -4.69 115.22 108.81 2kjs n HIS 82 Ca -0.02 0.00 -0.36 0.00 -0.00 0.00 0.00 57.72 57.34 2kjs n HIS 82 Cb 0.53 0.00 -0.05 0.00 -0.00 0.00 0.00 29.99 30.47 2kjs n HIS 82 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2kjs s HIS 83 N 0.00 3.38 -0.43 1.57 3.76 -1.26 -4.96 115.29 117.36 2kjs s HIS 83 Ca 0.00 1.67 0.05 0.00 -0.15 0.00 0.00 55.06 56.63 2kjs s HIS 83 Cb 0.00 -3.01 0.18 0.00 1.11 0.00 0.00 32.58 30.86 2kjs s HIS 83 CO 0.00 -0.29 0.42 1.58 -0.85 0.00 0.00 174.74 175.59 2kjs n HIS 84 N -0.05 -1.38 -0.15 1.40 -0.00 -1.26 -4.97 115.22 108.81 2kjs n HIS 84 Ca 0.05 -3.01 -0.08 0.00 0.46 0.00 0.00 57.72 55.14 2kjs n HIS 84 Cb 0.51 0.43 0.07 0.00 -0.12 0.00 0.00 29.99 30.87 2kjs n HIS 84 CO 0.00 0.00 0.00 0.45 0.46 0.00 0.00 176.34 177.25 2kjs h HIS 85 N 5.41 1.03 -5.97 1.57 3.86 -1.98 -3.48 115.15 115.58 2kjs h HIS 85 Ca 0.22 -0.20 -0.09 0.00 -1.16 0.00 0.00 60.37 59.14 2kjs h HIS 85 Cb 0.94 -0.26 0.00 0.00 1.06 0.00 0.00 27.41 29.15 2kjs h HIS 85 CO 0.24 0.97 -0.98 1.58 0.86 0.00 0.00 177.93 180.59 2kjs n HIS 86 N -4.15 -2.08 1.91 2.45 -0.00 -1.26 -5.35 115.22 106.74 2kjs n HIS 86 Ca 0.02 0.89 0.15 0.00 0.46 0.00 0.00 57.72 59.24 2kjs n HIS 86 Cb 0.38 -2.33 0.91 0.00 -0.12 0.00 0.00 29.99 28.83 2kjs n HIS 86 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52