#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kjb n THR 10 N 0.00 0.02 0.00 -0.44 5.66 -1.26 -3.56 114.28 114.70 2kjb n THR 10 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 2kjb n THR 10 Cb 0.00 -0.33 0.00 0.00 -1.55 0.00 0.00 70.33 68.45 2kjb n THR 10 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 175.07 171.35 2kjb n ASP 11 N 0.19 0.00 0.33 1.09 -0.08 -1.26 -4.92 116.55 111.91 2kjb n ASP 11 Ca 0.00 0.00 -0.15 0.00 -1.51 0.00 0.00 54.79 53.13 2kjb n ASP 11 Cb 0.16 0.00 -0.07 0.00 2.34 0.00 0.00 41.12 43.55 2kjb n ASP 11 CO 0.00 0.00 0.00 0.71 0.12 0.00 0.00 177.20 178.03 2kjb h THR 12 N 0.00 0.14 -0.42 5.18 1.35 -2.02 -2.56 112.91 114.59 2kjb h THR 12 Ca 0.00 -0.33 -0.07 0.00 -0.55 0.00 0.00 66.41 65.46 2kjb h THR 12 Cb 0.00 0.19 -0.02 0.00 -1.73 0.00 0.00 68.15 66.60 2kjb h THR 12 CO 0.00 0.02 -0.03 0.25 -0.25 0.00 0.00 175.52 175.51 2kjb h LEU 13 N -1.15 0.66 -1.42 3.87 5.85 -1.95 -2.58 115.31 118.60 2kjb h LEU 13 Ca -0.09 -0.16 0.11 0.00 0.84 0.00 0.00 57.88 58.59 2kjb h LEU 13 Cb 0.70 -0.18 -0.05 0.00 0.37 0.00 0.00 40.66 41.50 2kjb h LEU 13 CO 0.15 0.75 0.51 -0.08 -0.34 0.00 0.00 178.44 179.43 2kjb h GLU 14 N 0.65 0.61 -0.12 1.25 4.81 -1.63 -0.44 114.58 119.71 2kjb h GLU 14 Ca 0.13 -0.04 -0.13 0.00 -0.13 0.00 0.00 59.36 59.19 2kjb h GLU 14 Cb 0.44 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.69 2kjb h GLU 14 CO 0.02 0.40 -0.45 -0.09 -0.73 0.00 0.00 179.01 178.17 2kjb h ARG 15 N 0.63 0.51 0.00 1.92 9.65 -1.05 -2.69 114.38 123.35 2kjb h ARG 15 Ca 0.37 -0.39 -0.02 0.00 -1.10 0.00 0.00 59.98 58.84 2kjb h ARG 15 Cb 0.57 0.07 -0.00 0.00 -1.39 0.00 0.00 29.97 29.22 2kjb h ARG 15 CO -0.14 1.02 -0.08 0.28 2.80 0.00 0.00 179.97 183.84 2kjb h VAL 16 N 0.12 0.43 0.00 0.20 2.07 -1.19 -0.77 116.25 117.11 2kjb h VAL 16 Ca -0.02 -0.44 -0.02 0.00 0.82 0.00 0.00 66.70 67.04 2kjb h VAL 16 Cb 1.08 1.30 -0.00 0.00 -1.52 0.00 0.00 31.29 32.15 2kjb h VAL 16 CO 0.09 0.08 -0.33 0.71 0.02 0.00 0.00 177.57 178.15 2kjb h THR 17 N 0.00 0.16 0.00 2.57 1.35 -1.01 -3.20 112.91 112.78 2kjb h THR 17 Ca -0.00 -1.24 -0.04 0.00 -0.55 0.00 0.00 66.41 64.58 2kjb h THR 17 Cb 0.30 1.98 -0.01 0.00 -1.73 0.00 0.00 68.15 68.69 2kjb h THR 17 CO 0.01 0.09 -0.20 -0.08 -0.25 0.00 0.00 175.52 175.09 2kjb h GLU 18 N 0.00 0.00 0.01 4.72 4.81 -0.80 -2.76 114.58 120.56 2kjb h GLU 18 Ca -0.01 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.22 2kjb h GLU 18 Cb 1.09 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.47 2kjb h GLU 18 CO 0.01 0.20 -0.00 0.82 -0.73 0.00 0.00 179.01 179.31 2kjb h ILE 19 N 0.00 0.00 -0.90 2.32 2.04 -1.51 -2.81 117.51 116.65 2kjb h ILE 19 Ca -0.00 -0.12 0.16 0.00 1.00 0.00 0.00 64.86 65.90 2kjb h ILE 19 Cb 1.07 0.00 -0.07 0.00 -0.74 0.00 0.00 36.82 37.08 2kjb h ILE 19 CO 0.03 0.00 0.58 -0.26 0.00 0.00 0.00 178.15 178.50 2kjb h PHE 20 N -0.13 0.78 0.00 1.37 0.04 -1.71 0.58 116.94 117.87 2kjb h PHE 20 Ca -0.00 0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.79 2kjb h PHE 20 Cb 0.01 -0.24 0.00 0.00 2.20 0.00 0.00 35.95 37.92 2kjb h PHE 20 CO 0.01 0.26 0.00 -0.22 -0.60 0.00 0.00 178.31 177.76 2kjb h LYS 21 N 0.63 0.00 -0.78 1.51 3.64 -1.64 -3.15 116.57 116.78 2kjb h LYS 21 Ca 0.47 0.00 0.19 0.00 -1.27 0.00 0.00 60.65 60.03 2kjb h LYS 21 Cb 0.85 0.00 -0.13 0.00 -0.41 0.00 0.00 32.23 32.54 2kjb h LYS 21 CO -0.22 0.00 0.15 0.00 -2.27 0.00 0.00 179.45 177.11 2kjb h ALA 22 N 2.03 1.00 -2.07 5.00 0.00 0.47 -3.41 119.26 122.29 2kjb h ALA 22 Ca 0.00 0.21 -0.41 0.00 0.00 0.00 0.00 54.91 54.71 2kjb h ALA 22 Cb 0.53 0.31 0.21 0.00 0.00 0.00 0.00 17.79 18.83 2kjb h ALA 22 CO 0.00 -0.40 -0.02 -0.51 0.00 0.00 0.00 179.25 178.33 2kjb s LEU 23 N -10.66 -0.04 0.00 0.00 1.02 -1.19 -4.85 118.68 102.96 2kjb s LEU 23 Ca -0.13 1.04 0.00 0.00 0.02 0.00 0.00 54.13 55.06 2kjb s LEU 23 Cb 0.23 -2.72 0.00 0.00 0.02 0.00 0.00 46.19 43.72 2kjb s LEU 23 CO 0.76 -4.66 0.00 0.61 0.02 0.00 0.00 176.35 173.08 2kjb n GLY 24 N 0.64 2.69 3.75 -3.19 0.00 -1.26 -5.09 105.19 102.73 2kjb n GLY 24 Ca 0.09 -0.01 -0.36 0.00 0.00 0.00 0.00 46.02 45.73 2kjb n GLY 24 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2kjb s ASP 25 N 1.64 5.22 0.66 1.61 1.11 -1.26 -4.84 116.67 120.80 2kjb s ASP 25 Ca 0.00 2.41 0.26 0.00 0.18 0.00 0.00 52.55 55.40 2kjb s ASP 25 Cb 0.00 -2.60 1.38 0.00 1.07 0.00 0.00 42.92 42.77 2kjb s ASP 25 CO 0.00 -1.57 1.78 1.88 1.18 0.00 0.00 175.17 178.44 2kjb h TYR 26 N 0.95 0.00 0.00 4.23 -1.99 -2.04 0.75 116.97 118.87 2kjb h TYR 26 Ca -0.50 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.23 2kjb h TYR 26 Cb 1.30 0.00 0.00 0.00 2.00 0.00 0.00 36.73 40.03 2kjb h TYR 26 CO 0.47 0.00 0.00 -0.91 -0.00 0.00 0.00 178.16 177.72 2kjb h ASN 27 N 0.00 0.00 0.00 3.88 4.21 -2.02 -3.37 115.58 118.28 2kjb h ASN 27 Ca 0.03 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.54 2kjb h ASN 27 Cb 0.93 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.13 2kjb h ASN 27 CO -0.00 0.00 0.00 0.54 -1.29 0.00 0.00 177.43 176.68 2kjb n ARG 28 N -3.04 0.00 -0.33 0.81 5.12 0.26 -3.12 116.66 116.37 2kjb n ARG 28 Ca 0.04 0.48 0.22 0.00 -1.93 0.00 0.00 57.85 56.65 2kjb n ARG 28 Cb 0.49 -1.43 0.41 0.00 -1.16 0.00 0.00 32.46 30.77 2kjb n ARG 28 CO 0.00 0.00 0.00 1.51 -1.93 0.00 0.00 177.63 177.21 2kjb n ILE 29 N -1.88 -0.41 0.14 0.55 3.06 -1.26 0.92 119.36 120.48 2kjb n ILE 29 Ca 0.00 2.08 0.03 0.00 -2.50 0.00 0.00 62.75 62.36 2kjb n ILE 29 Cb 0.00 -3.18 0.18 0.00 0.54 0.00 0.00 39.64 37.18 2kjb n ILE 29 CO 0.00 0.00 0.00 0.54 -2.50 0.00 0.00 176.55 174.59 2kjb n ARG 30 N -5.35 0.05 0.00 9.51 1.74 -1.18 0.98 116.66 122.41 2kjb n ARG 30 Ca 0.29 0.47 -0.11 0.00 -0.77 0.00 0.00 57.85 57.73 2kjb n ARG 30 Cb 0.97 -2.12 0.03 0.00 -1.02 0.00 0.00 32.46 30.32 2kjb n ARG 30 CO 0.00 0.00 0.00 0.97 -1.52 0.00 0.00 177.63 177.08 2kjb h ILE 31 N 0.00 1.32 -0.07 0.55 6.09 0.40 -3.20 117.51 122.61 2kjb h ILE 31 Ca 0.00 -1.89 -0.24 0.00 -1.37 0.00 0.00 64.86 61.36 2kjb h ILE 31 Cb 0.93 1.86 0.01 0.00 0.47 0.00 0.00 36.82 40.09 2kjb h ILE 31 CO 0.00 0.59 -0.91 -0.03 -3.07 0.00 0.00 178.15 174.72 2kjb h MET 32 N 0.43 0.72 -0.51 2.19 4.05 0.43 -2.00 114.93 120.24 2kjb h MET 32 Ca -0.01 -0.68 0.10 0.00 -0.28 0.00 0.00 59.70 58.84 2kjb h MET 32 Cb 1.18 0.17 -0.09 0.00 -0.80 0.00 0.00 31.60 32.06 2kjb h MET 32 CO 0.12 1.27 -0.02 1.49 0.23 0.00 0.00 176.91 180.00 2kjb h GLU 33 N 0.45 0.10 0.16 0.39 4.81 -1.56 0.75 114.58 119.68 2kjb h GLU 33 Ca -0.09 -0.01 -0.29 0.00 -0.13 0.00 0.00 59.36 58.84 2kjb h GLU 33 Cb 1.55 -0.02 0.03 0.00 0.63 0.00 0.00 28.75 30.94 2kjb h GLU 33 CO 0.18 0.06 -1.23 1.25 -0.73 0.00 0.00 179.01 178.54 2kjb h LEU 34 N 0.10 0.81 -1.58 1.64 5.85 -1.62 -3.27 115.31 117.24 2kjb h LEU 34 Ca 0.26 -0.87 -0.04 0.00 0.84 0.00 0.00 57.88 58.07 2kjb h LEU 34 Cb 0.39 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.16 2kjb h LEU 34 CO -0.44 1.60 -0.21 0.25 -0.34 0.00 0.00 178.44 179.30 2kjb h LEU 35 N 0.14 0.00 -1.16 2.25 5.85 -0.93 -1.85 115.31 119.61 2kjb h LEU 35 Ca -0.20 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.52 2kjb h LEU 35 Cb 1.93 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.96 2kjb h LEU 35 CO 0.23 0.21 0.00 0.77 -0.34 0.00 0.00 178.44 179.31 2kjb h SER 36 N 0.00 0.00 0.07 1.25 4.64 0.47 -3.12 113.55 116.85 2kjb h SER 36 Ca -0.00 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 61.12 2kjb h SER 36 Cb 0.50 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.58 2kjb h SER 36 CO 0.03 0.00 -1.00 0.58 -0.87 0.00 0.00 176.83 175.57 2kjb h VAL 37 N 0.00 1.23 0.00 0.95 2.07 -1.44 -3.51 116.25 115.55 2kjb h VAL 37 Ca 0.00 -2.36 0.00 0.00 0.82 0.00 0.00 66.70 65.16 2kjb h VAL 37 Cb 0.44 2.81 0.00 0.00 -1.52 0.00 0.00 31.29 33.03 2kjb h VAL 37 CO 0.00 0.60 0.00 -1.20 0.02 0.00 0.00 177.57 176.99 2kjb n SER 38 N -4.21 0.67 -4.11 0.57 7.64 -1.18 -5.16 113.62 107.84 2kjb n SER 38 Ca -0.22 0.00 -0.08 0.00 1.01 0.00 0.00 58.87 59.58 2kjb n SER 38 Cb 0.75 0.00 -0.10 0.00 -1.01 0.00 0.00 64.21 63.85 2kjb n SER 38 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 2kjb s GLU 39 N 2.64 0.67 0.34 1.43 8.01 -1.26 -4.50 118.70 126.03 2kjb s GLU 39 Ca 0.00 -1.23 -0.16 0.00 0.01 0.00 0.00 54.97 53.59 2kjb s GLU 39 Cb 0.00 0.07 0.06 0.00 -4.31 0.00 0.00 34.13 29.95 2kjb s GLU 39 CO 0.00 -0.08 0.82 0.00 0.01 0.00 0.00 175.26 176.01 2kjb n ALA 40 N 0.13 -1.92 -1.38 5.21 0.00 -1.26 -5.16 120.51 116.13 2kjb n ALA 40 Ca -0.14 -1.17 -0.29 0.00 0.00 0.00 0.00 53.44 51.84 2kjb n ALA 40 Cb 0.61 0.88 0.17 0.00 0.00 0.00 0.00 19.45 21.11 2kjb n ALA 40 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2kjb s SER 41 N -3.08 2.76 0.06 0.00 0.15 -1.26 -4.79 113.70 107.53 2kjb s SER 41 Ca 0.17 0.91 -0.19 0.00 0.70 0.00 0.00 55.95 57.54 2kjb s SER 41 Cb -0.04 -1.41 -0.12 0.00 -1.71 0.00 0.00 66.02 62.73 2kjb s SER 41 CO 0.10 -3.01 1.38 0.58 1.20 0.00 0.00 173.24 173.49 2kjb h VAL 42 N -1.82 1.33 -0.08 4.45 2.07 -2.01 -3.24 116.25 116.95 2kjb h VAL 42 Ca -0.50 -1.29 -0.04 0.00 0.82 0.00 0.00 66.70 65.69 2kjb h VAL 42 Cb 1.32 1.75 -0.00 0.00 -1.52 0.00 0.00 31.29 32.84 2kjb h VAL 42 CO 0.54 0.39 -0.09 1.23 0.02 0.00 0.00 177.57 179.66 2kjb h GLY 43 N 0.11 0.22 -0.65 2.17 0.00 -2.00 -3.00 103.07 99.93 2kjb h GLY 43 Ca 0.03 -0.23 0.33 0.00 0.00 0.00 0.00 47.33 47.47 2kjb h GLY 43 CO 0.04 0.21 1.00 0.45 0.00 0.00 0.00 176.54 178.24 2kjb h HIS 44 N -0.24 0.00 0.20 5.60 -0.00 -1.95 1.00 115.15 119.76 2kjb h HIS 44 Ca 0.01 0.00 -0.33 0.00 -0.00 0.00 0.00 60.37 60.05 2kjb h HIS 44 Cb 0.62 0.00 0.02 0.00 -0.00 0.00 0.00 27.41 28.05 2kjb h HIS 44 CO 0.10 0.00 -1.51 0.82 -0.00 0.00 0.00 177.93 177.33 2kjb h ILE 45 N 0.00 1.22 0.26 2.45 2.04 -1.55 -3.07 117.51 118.87 2kjb h ILE 45 Ca 0.55 -2.74 -0.01 0.00 1.00 0.00 0.00 64.86 63.66 2kjb h ILE 45 Cb 2.54 2.92 0.00 0.00 -0.74 0.00 0.00 36.82 41.55 2kjb h ILE 45 CO -0.01 0.84 -0.13 -1.28 0.00 0.00 0.00 178.15 177.58 2kjb h SER 46 N 0.11 -0.30 0.34 1.72 0.87 0.11 -2.06 113.55 114.34 2kjb h SER 46 Ca -0.25 -0.23 -0.02 0.00 -1.23 0.00 0.00 61.79 60.06 2kjb h SER 46 Cb 2.10 0.08 0.00 0.00 -0.44 0.00 0.00 62.40 64.14 2kjb h SER 46 CO 0.23 0.17 -0.16 -0.74 -0.53 0.00 0.00 176.83 175.80 2kjb h HIS 47 N -0.89 -0.42 0.11 2.24 -0.00 -1.24 0.39 115.15 115.34 2kjb h HIS 47 Ca -0.04 -0.01 -0.01 0.00 -0.00 0.00 0.00 60.37 60.32 2kjb h HIS 47 Cb 0.51 0.14 0.00 0.00 -0.00 0.00 0.00 27.41 28.06 2kjb h HIS 47 CO 0.05 -0.23 -0.05 0.37 -0.00 0.00 0.00 177.93 178.07 2kjb h GLN 48 N -0.51 -0.14 0.00 5.26 4.15 -1.68 -3.05 115.11 119.15 2kjb h GLN 48 Ca -0.05 0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.38 2kjb h GLN 48 Cb 0.38 0.03 0.00 0.00 0.21 0.00 0.00 27.48 28.10 2kjb h GLN 48 CO 0.08 -0.09 0.07 -0.11 -1.93 0.00 0.00 178.83 176.85 2kjb n LEU 49 N -2.57 0.00 -3.00 -2.39 0.00 -0.78 -4.79 117.00 103.47 2kjb n LEU 49 Ca -0.02 0.23 -0.05 0.00 0.00 0.00 0.00 56.01 56.17 2kjb n LEU 49 Cb 0.06 -0.23 0.02 0.00 0.00 0.00 0.00 43.42 43.27 2kjb n LEU 49 CO 0.04 -0.23 0.22 -3.20 0.00 0.00 0.00 177.39 174.23 2kjb n ASN 50 N -1.18 -7.00 -4.01 1.96 5.15 -0.70 -5.01 115.26 104.47 2kjb n ASN 50 Ca 0.00 -0.27 -0.09 0.00 -0.60 0.00 0.00 54.58 53.62 2kjb n ASN 50 Cb 0.07 -4.94 -0.11 0.00 -0.53 0.00 0.00 39.78 34.27 2kjb n ASN 50 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 2kjb s LEU 51 N -4.31 2.28 -0.35 1.20 1.43 0.13 -5.03 118.68 114.03 2kjb s LEU 51 Ca 0.15 -0.59 -0.29 0.00 -1.03 0.00 0.00 54.13 52.37 2kjb s LEU 51 Cb -0.02 0.07 0.01 0.00 0.03 0.00 0.00 46.19 46.29 2kjb s LEU 51 CO 0.69 -0.33 1.21 -0.44 0.23 0.00 0.00 176.35 177.71 2kjb s SER 52 N -1.72 6.72 0.00 2.29 0.01 -1.26 -4.39 113.70 115.34 2kjb s SER 52 Ca -0.11 0.99 0.00 0.00 1.31 0.00 0.00 55.95 58.14 2kjb s SER 52 Cb -0.07 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.62 2kjb s SER 52 CO -0.02 -1.08 0.66 0.00 0.41 0.00 0.00 173.24 173.21 2kjb n GLN 53 N 7.34 0.00 0.07 12.44 0.00 -1.26 -0.51 117.38 135.46 2kjb n GLN 53 Ca 0.14 0.21 -0.19 0.00 0.00 0.00 0.00 57.00 57.15 2kjb n GLN 53 Cb 0.47 -1.55 -0.10 0.00 0.00 0.00 0.00 30.24 29.06 2kjb n GLN 53 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.06 177.83 2kjb h SER 54 N 0.00 0.76 0.64 2.61 0.02 -2.03 -3.29 113.55 112.27 2kjb h SER 54 Ca 0.00 -0.66 -0.27 0.00 -0.84 0.00 0.00 61.79 60.02 2kjb h SER 54 Cb 0.11 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.40 2kjb h SER 54 CO 0.00 1.47 -1.33 0.78 -1.14 0.00 0.00 176.83 176.61 2kjb h ASN 55 N 0.28 0.27 -0.03 3.07 4.21 -1.20 -3.36 115.58 118.81 2kjb h ASN 55 Ca -0.14 -0.33 0.00 0.00 1.21 0.00 0.00 56.30 57.04 2kjb h ASN 55 Cb 1.78 -0.09 -0.01 0.00 -1.12 0.00 0.00 38.32 38.88 2kjb h ASN 55 CO 0.21 1.27 -0.06 0.58 -1.29 0.00 0.00 177.43 178.14 2kjb h VAL 56 N 0.05 0.00 -1.01 2.81 2.07 -1.57 1.49 116.25 120.08 2kjb h VAL 56 Ca -0.16 0.00 0.37 0.00 0.82 0.00 0.00 66.70 67.73 2kjb h VAL 56 Cb 1.94 0.00 -0.16 0.00 -1.52 0.00 0.00 31.29 31.55 2kjb h VAL 56 CO 0.16 0.00 0.56 0.77 0.02 0.00 0.00 177.57 179.08 2kjb h SER 57 N -0.05 0.43 0.64 0.57 4.64 -1.74 1.97 113.55 120.02 2kjb h SER 57 Ca 0.01 0.22 -0.18 0.00 -0.47 0.00 0.00 61.79 61.37 2kjb h SER 57 Cb 0.06 0.20 -0.02 0.00 -0.31 0.00 0.00 62.40 62.33 2kjb h SER 57 CO -0.05 -0.27 -0.81 -0.74 -0.87 0.00 0.00 176.83 174.09 2kjb h HIS 58 N 0.18 0.17 0.46 4.77 6.17 -1.23 -3.09 115.15 122.57 2kjb h HIS 58 Ca 0.79 -0.09 -0.02 0.00 0.71 0.00 0.00 60.37 61.76 2kjb h HIS 58 Cb 1.95 -0.02 0.00 0.00 2.52 0.00 0.00 27.41 31.86 2kjb h HIS 58 CO -0.01 0.87 -0.22 0.37 0.71 0.00 0.00 177.93 179.65 2kjb h GLN 59 N 0.07 -0.59 -0.75 5.26 4.15 1.41 -2.96 115.11 121.71 2kjb h GLN 59 Ca -0.03 0.04 0.15 0.00 0.77 0.00 0.00 58.65 59.59 2kjb h GLN 59 Cb 1.41 0.13 -0.10 0.00 0.21 0.00 0.00 27.48 29.13 2kjb h GLN 59 CO 0.12 -0.39 0.24 -0.07 -1.93 0.00 0.00 178.83 176.79 2kjb h LEU 60 N -0.70 0.14 -0.18 -2.39 3.38 -1.33 -2.52 115.31 111.72 2kjb h LEU 60 Ca -0.06 0.13 0.02 0.00 0.09 0.00 0.00 57.88 58.06 2kjb h LEU 60 Cb 0.47 0.15 -0.04 0.00 0.09 0.00 0.00 40.66 41.32 2kjb h LEU 60 CO 0.10 0.02 -0.30 0.50 0.09 0.00 0.00 178.44 178.85 2kjb h LYS 61 N 0.35 -0.24 -0.06 1.13 3.64 -1.54 0.16 116.57 120.00 2kjb h LYS 61 Ca 0.42 0.02 0.01 0.00 -1.27 0.00 0.00 60.65 59.82 2kjb h LYS 61 Cb 0.69 0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.55 2kjb h LYS 61 CO -0.46 -0.16 -0.04 1.25 -2.27 0.00 0.00 179.45 177.77 2kjb h LEU 62 N -0.25 -0.14 -0.84 5.20 5.85 -1.27 0.85 115.31 124.71 2kjb h LEU 62 Ca 0.03 0.02 0.21 0.00 0.84 0.00 0.00 57.88 58.98 2kjb h LEU 62 Cb 0.34 0.06 -0.13 0.00 0.37 0.00 0.00 40.66 41.30 2kjb h LEU 62 CO -0.30 -0.02 0.23 -0.07 -0.34 0.00 0.00 178.44 177.94 2kjb h LEU 63 N -0.00 0.03 -0.70 2.25 4.07 -1.46 0.25 115.31 119.74 2kjb h LEU 63 Ca 0.01 0.18 -0.04 0.00 0.08 0.00 0.00 57.88 58.11 2kjb h LEU 63 Cb 0.03 0.24 -0.03 0.00 1.08 0.00 0.00 40.66 41.98 2kjb h LEU 63 CO -0.06 -0.11 0.27 0.50 -1.08 0.00 0.00 178.44 177.97 2kjb h LYS 64 N 0.24 1.04 0.00 1.13 3.64 0.20 -1.73 116.57 121.10 2kjb h LYS 64 Ca 0.51 -0.19 -0.02 0.00 -1.27 0.00 0.00 60.65 59.68 2kjb h LYS 64 Cb 0.98 -0.17 -0.00 0.00 -0.41 0.00 0.00 32.23 32.63 2kjb h LYS 64 CO -0.61 0.87 -0.07 0.66 -2.27 0.00 0.00 179.45 178.03 2kjb h SER 65 N 0.99 0.00 0.45 4.20 4.64 0.38 -1.31 113.55 122.91 2kjb h SER 65 Ca 0.23 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.55 2kjb h SER 65 Cb 0.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.31 2kjb h SER 65 CO -0.02 0.07 -0.02 0.52 -0.87 0.00 0.00 176.83 176.51 2kjb n VAL 66 N -3.27 0.00 -1.11 0.95 0.31 -0.08 -4.88 118.33 110.25 2kjb n VAL 66 Ca -0.01 -0.01 -0.04 0.00 -0.01 0.00 0.00 64.34 64.27 2kjb n VAL 66 Cb 0.28 -0.41 -0.02 0.00 -0.91 0.00 0.00 33.84 32.78 2kjb n VAL 66 CO 0.00 0.00 0.00 1.57 -1.32 0.00 0.00 176.83 177.08 2kjb n HIS 67 N -1.18 0.00 0.00 3.52 -0.00 -0.49 -4.95 115.22 112.12 2kjb n HIS 67 Ca 0.16 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.34 2kjb n HIS 67 Cb 0.23 -1.07 0.00 0.00 -0.12 0.00 0.00 29.99 29.03 2kjb n HIS 67 CO 0.00 0.00 0.00 -0.11 0.46 0.00 0.00 176.34 176.69 2kjb n LEU 68 N -0.43 1.85 -4.89 0.27 0.00 -1.00 -4.96 117.00 107.84 2kjb n LEU 68 Ca -0.04 0.12 -0.29 0.00 0.00 0.00 0.00 56.01 55.80 2kjb n LEU 68 Cb 0.18 -0.14 0.02 0.00 0.00 0.00 0.00 43.42 43.49 2kjb n LEU 68 CO 0.06 -0.14 0.64 0.68 0.00 0.00 0.00 177.39 178.63 2kjb s VAL 69 N -0.27 4.16 0.37 1.96 -7.23 -1.24 -4.91 120.40 113.24 2kjb s VAL 69 Ca 0.00 0.45 0.04 0.00 -1.81 0.00 0.00 61.98 60.67 2kjb s VAL 69 Cb 0.00 -3.67 -0.03 0.00 0.56 0.00 0.00 36.38 33.25 2kjb s VAL 69 CO 0.00 -0.80 0.17 -0.54 -0.31 0.00 0.00 175.10 173.62 2kjb s LYS 70 N -5.11 1.83 -0.30 4.82 1.02 -1.21 -4.44 119.74 116.35 2kjb s LYS 70 Ca 0.54 -2.09 -0.11 0.00 0.02 0.00 0.00 55.97 54.33 2kjb s LYS 70 Cb -0.11 -0.30 0.13 0.00 -0.52 0.00 0.00 37.83 37.03 2kjb s LYS 70 CO 0.50 -0.51 0.69 0.00 -0.92 0.00 0.00 175.35 175.10 2kjb s ALA 71 N -3.34 -2.08 0.42 5.17 0.00 -1.26 -2.11 121.76 118.56 2kjb s ALA 71 Ca 0.30 2.33 -0.08 0.00 0.00 0.00 0.00 51.96 54.51 2kjb s ALA 71 Cb 0.03 -1.76 -0.05 0.00 0.00 0.00 0.00 23.12 21.34 2kjb s ALA 71 CO 0.18 -0.86 0.75 0.21 0.00 0.00 0.00 175.76 176.05 2kjb s LYS 72 N 2.69 3.67 -0.20 0.00 2.20 -1.21 -4.91 119.74 121.98 2kjb s LYS 72 Ca -0.06 0.32 0.00 0.00 -0.36 0.00 0.00 55.97 55.87 2kjb s LYS 72 Cb -0.11 -2.41 0.02 0.00 -1.51 0.00 0.00 37.83 33.82 2kjb s LYS 72 CO -0.19 -0.07 -0.16 1.03 -0.36 0.00 0.00 175.35 175.59 2kjb s ARG 73 N -4.15 2.95 -0.49 4.03 0.52 -1.26 -2.61 118.95 117.93 2kjb s ARG 73 Ca 0.49 -0.87 0.06 0.00 -0.52 0.00 0.00 55.73 54.89 2kjb s ARG 73 Cb -0.10 -2.68 0.22 0.00 0.52 0.00 0.00 34.95 32.91 2kjb s ARG 73 CO 0.36 -0.26 0.85 0.94 0.02 0.00 0.00 175.30 177.22 2kjb n GLN 74 N 4.62 0.65 0.00 3.54 -0.06 -1.26 -5.06 117.38 119.82 2kjb n GLN 74 Ca -0.20 -1.78 0.00 0.00 -2.00 0.00 0.00 57.00 53.03 2kjb n GLN 74 Cb 0.49 -1.38 0.00 0.00 -4.06 0.00 0.00 30.24 25.29 2kjb n GLN 74 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 2kjb n GLY 75 N 2.13 1.32 5.47 1.69 0.00 -1.26 -4.96 105.19 109.58 2kjb n GLY 75 Ca 0.12 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.67 2kjb n GLY 75 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2kjb n GLN 76 N 0.00 0.00 0.00 1.61 3.00 -1.26 -4.49 117.38 116.24 2kjb n GLN 76 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 2kjb n GLN 76 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.24 2kjb n GLN 76 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.06 177.49 2kjb n SER 77 N 1.80 -0.67 -4.18 1.08 7.64 -1.26 -5.10 113.62 112.93 2kjb n SER 77 Ca 0.00 -0.40 -0.25 0.00 1.01 0.00 0.00 58.87 59.23 2kjb n SER 77 Cb 0.00 0.00 -0.09 0.00 -1.01 0.00 0.00 64.21 63.11 2kjb n SER 77 CO 0.00 0.00 0.00 -0.04 -3.01 0.00 0.00 175.04 171.99 2kjb s MET 78 N -2.22 1.87 -0.24 1.43 1.00 -1.26 -4.11 119.30 115.76 2kjb s MET 78 Ca 0.00 -2.12 -0.03 0.00 0.00 0.00 0.00 55.69 53.53 2kjb s MET 78 Cb 0.00 -0.64 0.10 0.00 0.00 0.00 0.00 34.83 34.29 2kjb s MET 78 CO 0.00 -0.43 0.18 0.42 0.00 0.00 0.00 175.02 175.19 2kjb s ILE 79 N -3.24 -0.21 0.47 2.53 1.01 -1.07 -4.82 121.20 115.86 2kjb s ILE 79 Ca 0.26 -0.39 -0.23 0.00 0.00 0.00 0.00 60.65 60.29 2kjb s ILE 79 Cb 0.04 -0.81 -0.07 0.00 0.01 0.00 0.00 42.46 41.63 2kjb s ILE 79 CO 0.15 -0.43 1.22 -0.31 0.00 0.00 0.00 174.94 175.56 2kjb s TYR 80 N 2.23 2.74 -0.12 3.97 1.51 -1.26 -3.35 117.35 123.07 2kjb s TYR 80 Ca 0.07 1.49 -0.29 0.00 -1.01 0.00 0.00 57.07 57.33 2kjb s TYR 80 Cb -0.15 -3.49 0.07 0.00 -0.11 0.00 0.00 41.96 38.28 2kjb s TYR 80 CO -0.23 -1.85 0.72 -1.54 -1.11 0.00 0.00 175.55 171.54 2kjb s SER 81 N -1.22 -0.66 -0.76 2.29 1.04 -0.90 -4.87 113.70 108.62 2kjb s SER 81 Ca 0.65 0.90 -0.20 0.00 0.48 0.00 0.00 55.95 57.77 2kjb s SER 81 Cb -0.32 0.78 0.10 0.00 0.10 0.00 0.00 66.02 66.68 2kjb s SER 81 CO 0.39 -0.49 1.00 -0.22 0.98 0.00 0.00 173.24 174.90 2kjb s LEU 82 N -0.73 4.81 0.02 2.42 1.98 -1.26 -3.33 118.68 122.59 2kjb s LEU 82 Ca -0.07 -1.49 -0.21 0.00 -2.89 0.00 0.00 54.13 49.46 2kjb s LEU 82 Cb -0.01 -2.39 -0.12 0.00 0.66 0.00 0.00 46.19 44.32 2kjb s LEU 82 CO 0.07 -1.24 1.15 -0.78 -1.89 0.00 0.00 176.35 173.66 2kjb h ASP 83 N 9.21 -0.66 -0.24 3.68 3.58 -1.92 -3.41 116.42 126.66 2kjb h ASP 83 Ca -0.10 0.02 -0.52 0.00 0.42 0.00 0.00 57.03 56.85 2kjb h ASP 83 Cb 1.05 0.17 -0.07 0.00 1.72 0.00 0.00 39.33 42.20 2kjb h ASP 83 CO 1.14 -0.41 1.71 0.47 -2.88 0.00 0.00 179.24 179.27 2kjb n ASP 84 N -4.40 0.63 0.00 2.28 9.92 -1.26 -4.71 116.55 119.01 2kjb n ASP 84 Ca -0.10 0.13 0.14 0.00 -0.53 0.00 0.00 54.79 54.43 2kjb n ASP 84 Cb 0.31 -1.01 0.83 0.00 -0.64 0.00 0.00 41.12 40.60 2kjb n ASP 84 CO 0.00 0.00 0.00 2.30 0.13 0.00 0.00 177.20 179.63 2kjb n ILE 85 N 7.50 0.00 -0.00 0.53 -5.35 -1.26 -3.29 119.36 117.48 2kjb n ILE 85 Ca 0.61 0.00 -0.15 0.00 -0.27 0.00 0.00 62.75 62.94 2kjb n ILE 85 Cb 0.10 -0.56 -0.03 0.00 -1.74 0.00 0.00 39.64 37.40 2kjb n ILE 85 CO 0.00 0.00 0.00 -0.74 -1.76 0.00 0.00 176.55 174.05 2kjb h HIS 86 N 0.00 0.91 -0.13 4.28 2.76 -1.97 -3.20 115.15 117.80 2kjb h HIS 86 Ca 0.00 -0.39 -0.15 0.00 -2.20 0.00 0.00 60.37 57.62 2kjb h HIS 86 Cb 0.00 -0.14 -0.01 0.00 1.55 0.00 0.00 27.41 28.81 2kjb h HIS 86 CO 0.00 1.20 -0.57 0.28 -1.30 0.00 0.00 177.93 177.54 2kjb h VAL 87 N 0.46 1.35 -0.54 5.26 2.07 -1.95 -1.38 116.25 121.53 2kjb h VAL 87 Ca -0.04 -1.87 0.09 0.00 0.82 0.00 0.00 66.70 65.70 2kjb h VAL 87 Cb 1.36 1.88 -0.07 0.00 -1.52 0.00 0.00 31.29 32.93 2kjb h VAL 87 CO 0.15 0.57 0.14 0.00 0.02 0.00 0.00 177.57 178.45 2kjb h ALA 88 N 1.07 0.64 0.00 1.67 0.00 -1.70 0.64 119.26 121.58 2kjb h ALA 88 Ca 0.00 0.10 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 2kjb h ALA 88 Cb 1.10 0.11 -0.00 0.00 0.00 0.00 0.00 17.79 19.00 2kjb h ALA 88 CO 0.10 -0.27 -0.03 1.15 0.00 0.00 0.00 179.25 180.20 2kjb h THR 89 N 0.29 0.11 -1.15 0.00 2.02 -1.58 -3.06 112.91 109.55 2kjb h THR 89 Ca 0.27 -1.09 0.35 0.00 0.77 0.00 0.00 66.41 66.71 2kjb h THR 89 Cb 0.35 0.21 -0.12 0.00 -1.74 0.00 0.00 68.15 66.86 2kjb h THR 89 CO -0.32 0.04 0.72 -0.03 0.37 0.00 0.00 175.52 176.30 2kjb h MET 90 N -1.00 0.24 -0.02 6.66 -1.53 -1.25 0.98 114.93 119.02 2kjb h MET 90 Ca -0.00 -0.01 -0.18 0.00 -3.44 0.00 0.00 59.70 56.06 2kjb h MET 90 Cb 0.09 -0.05 -0.01 0.00 -0.55 0.00 0.00 31.60 31.07 2kjb h MET 90 CO -0.00 0.16 -0.79 1.25 0.14 0.00 0.00 176.91 177.67 2kjb h LEU 91 N 0.25 0.25 0.68 3.39 5.85 -0.99 -3.05 115.31 121.69 2kjb h LEU 91 Ca 0.72 -0.18 -0.03 0.00 0.84 0.00 0.00 57.88 59.22 2kjb h LEU 91 Cb 1.99 -0.08 0.01 0.00 0.37 0.00 0.00 40.66 42.95 2kjb h LEU 91 CO -0.41 0.94 -0.33 0.50 -0.34 0.00 0.00 178.44 178.80 2kjb h LYS 92 N 0.13 -0.89 -0.70 1.25 3.64 0.11 -2.00 116.57 118.11 2kjb h LYS 92 Ca -0.03 0.06 0.20 0.00 -1.27 0.00 0.00 60.65 59.61 2kjb h LYS 92 Cb 1.38 0.20 -0.03 0.00 -0.41 0.00 0.00 32.23 33.37 2kjb h LYS 92 CO 0.12 -0.59 0.59 -0.56 -2.27 0.00 0.00 179.45 176.74 2kjb h GLN 93 N -1.23 0.00 -0.08 1.90 3.07 -1.35 0.37 115.11 117.80 2kjb h GLN 93 Ca -0.09 0.00 -0.07 0.00 0.09 0.00 0.00 58.65 58.57 2kjb h GLN 93 Cb 0.70 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.27 2kjb h GLN 93 CO 0.15 0.00 -0.24 0.00 0.09 0.00 0.00 178.83 178.83 2kjb h ALA 94 N 1.48 0.14 0.00 0.06 0.00 -1.40 -3.05 119.26 116.48 2kjb h ALA 94 Ca 0.33 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.84 2kjb h ALA 94 Cb 1.51 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.28 2kjb h ALA 94 CO -0.00 0.13 0.00 -0.89 0.00 0.00 0.00 179.25 178.48 2kjb n ILE 95 N -4.50 0.03 0.09 0.00 5.41 0.25 -3.30 119.36 117.35 2kjb n ILE 95 Ca -0.08 0.01 -0.21 0.00 1.00 0.00 0.00 62.75 63.47 2kjb n ILE 95 Cb 0.45 -0.52 -0.12 0.00 -0.71 0.00 0.00 39.64 38.74 2kjb n ILE 95 CO 0.00 0.00 0.00 -0.74 0.00 0.00 0.00 176.55 175.81 2kjb h HIS 96 N 0.00 0.92 0.00 1.39 2.76 -0.29 -3.12 115.15 116.81 2kjb h HIS 96 Ca 0.00 -0.58 0.00 0.00 -2.20 0.00 0.00 60.37 57.59 2kjb h HIS 96 Cb 0.35 -0.07 0.00 0.00 1.55 0.00 0.00 27.41 29.24 2kjb h HIS 96 CO 0.00 1.43 0.00 1.58 -1.30 0.00 0.00 177.93 179.64 2kjb n HIS 97 N -3.75 0.00 -0.86 5.26 -0.00 -1.18 -4.00 115.22 110.69 2kjb n HIS 97 Ca -0.13 0.00 -0.09 0.00 -0.00 0.00 0.00 57.72 57.50 2kjb n HIS 97 Cb 0.98 -0.00 -0.10 0.00 -0.00 0.00 0.00 29.99 30.87 2kjb n HIS 97 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2kjb n ALA 98 N -0.50 5.58 -1.00 1.57 0.00 -1.18 -4.88 120.51 120.10 2kjb n ALA 98 Ca 0.00 -1.31 0.00 0.00 0.00 0.00 0.00 53.44 52.13 2kjb n ALA 98 Cb 0.00 -1.85 0.00 0.00 0.00 0.00 0.00 19.45 17.60 2kjb n ALA 98 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2kjb n ASN 99 N 2.01 -0.19 -2.69 0.00 3.02 -1.26 -5.07 115.26 111.08 2kjb n ASN 99 Ca 0.29 -0.43 -0.06 0.00 -0.03 0.00 0.00 54.58 54.35 2kjb n ASN 99 Cb 0.75 0.00 0.10 0.00 -0.61 0.00 0.00 39.78 40.02 2kjb n ASN 99 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2kjb n HIS 100 N -1.23 -1.45 -0.73 3.10 1.44 -1.26 -5.17 115.22 109.92 2kjb n HIS 100 Ca 0.00 -1.30 0.00 0.00 -2.01 0.00 0.00 57.72 54.41 2kjb n HIS 100 Cb 0.00 1.36 0.00 0.00 0.12 0.00 0.00 29.99 31.47 2kjb n HIS 100 CO 0.00 0.00 0.00 -0.35 -2.81 0.00 0.00 176.34 173.18 2kjb n PRO 101 N 0.52 -0.13 -1.67 -1.40 -0.04 -1.26 -4.88 135.00 126.14 2kjb n PRO 101 Ca -0.01 0.00 -0.39 0.00 -0.04 0.00 0.00 63.50 63.07 2kjb n PRO 101 Cb 0.73 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 34.16 2kjb n PRO 101 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 2kjb s LYS 102 N -2.60 2.50 0.00 0.54 3.01 -1.26 -5.33 119.74 116.60 2kjb s LYS 102 Ca 0.00 1.45 0.10 0.00 -1.01 0.00 0.00 55.97 56.51 2kjb s LYS 102 Cb 0.00 -4.48 0.61 0.00 -1.01 0.00 0.00 37.83 32.95 2kjb s LYS 102 CO 0.00 -2.83 1.05 -0.85 0.51 0.00 0.00 175.35 173.23