#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kb2 s GLU 2 N 0.00 4.19 -0.03 1.61 2.02 -1.26 -5.02 118.70 120.21 2kb2 s GLU 2 Ca 0.00 0.30 -0.31 0.00 0.02 0.00 0.00 54.97 54.98 2kb2 s GLU 2 Cb 0.00 -3.54 -0.10 0.00 0.10 0.00 0.00 34.13 30.59 2kb2 s GLU 2 CO 0.00 -0.07 1.98 1.97 0.02 0.00 0.00 175.26 179.15 2kb2 n PHE 3 N 4.56 2.39 -1.02 1.61 -1.74 -1.26 -4.94 117.46 117.06 2kb2 n PHE 3 Ca -0.07 -0.23 -0.32 0.00 -0.56 0.00 0.00 57.45 56.27 2kb2 n PHE 3 Cb 0.51 -2.75 0.13 0.00 1.52 0.00 0.00 39.48 38.89 2kb2 n PHE 3 CO 0.00 0.00 0.00 -1.64 -0.56 0.00 0.00 176.76 174.56 2kb2 s MET 4 N 4.58 1.58 0.80 3.97 -1.94 -1.26 -4.97 119.30 122.05 2kb2 s MET 4 Ca 0.92 1.56 -0.06 0.00 -1.71 0.00 0.00 55.69 56.40 2kb2 s MET 4 Cb -0.51 -1.79 0.15 0.00 2.01 0.00 0.00 34.83 34.69 2kb2 s MET 4 CO 0.45 -2.22 1.10 -1.17 -0.01 0.00 0.00 175.02 173.17 2kb2 s LEU 5 N -6.03 2.89 0.07 -0.03 2.96 0.11 -4.46 118.68 114.19 2kb2 s LEU 5 Ca 0.68 -0.17 -0.23 0.00 -0.22 0.00 0.00 54.13 54.19 2kb2 s LEU 5 Cb -0.24 -2.06 0.06 0.00 0.50 0.00 0.00 46.19 44.45 2kb2 s LEU 5 CO 0.54 -2.16 0.55 -0.89 -1.32 0.00 0.00 176.35 173.06 2kb2 s THR 6 N -3.39 0.02 -0.35 3.68 2.01 0.20 0.09 115.64 117.91 2kb2 s THR 6 Ca 0.69 -0.18 0.02 0.00 0.31 0.00 0.00 61.69 62.53 2kb2 s THR 6 Cb -0.05 -1.00 0.10 0.00 0.01 0.00 0.00 72.50 71.56 2kb2 s THR 6 CO 0.47 -0.10 0.10 -0.89 -0.69 0.00 0.00 174.62 173.51 2kb2 s THR 7 N -2.80 1.58 -0.16 -0.82 2.01 0.19 0.58 115.64 116.22 2kb2 s THR 7 Ca -0.03 -1.99 -0.14 0.00 0.31 0.00 0.00 61.69 59.84 2kb2 s THR 7 Cb -0.00 -2.17 -0.05 0.00 0.01 0.00 0.00 72.50 70.29 2kb2 s THR 7 CO -0.05 -0.67 0.30 -0.22 -0.69 0.00 0.00 174.62 173.29 2kb2 s LEU 8 N 1.11 4.24 0.01 4.42 0.20 0.27 -2.06 118.68 126.87 2kb2 s LEU 8 Ca 0.11 0.51 0.05 0.00 0.69 0.00 0.00 54.13 55.49 2kb2 s LEU 8 Cb -0.19 -2.39 -0.02 0.00 -0.43 0.00 0.00 46.19 43.17 2kb2 s LEU 8 CO -0.15 0.08 -0.15 -0.63 -0.29 0.00 0.00 176.35 175.22 2kb2 s ILE 9 N 0.53 1.16 0.23 6.68 1.01 -0.33 -0.15 121.20 130.33 2kb2 s ILE 9 Ca 0.17 -0.79 -0.04 0.00 0.00 0.00 0.00 60.65 59.99 2kb2 s ILE 9 Cb -0.13 -1.00 -0.03 0.00 0.01 0.00 0.00 42.46 41.31 2kb2 s ILE 9 CO 0.04 0.20 0.26 -0.72 0.00 0.00 0.00 174.94 174.73 2kb2 s TYR 10 N -0.55 0.98 -0.11 3.97 -0.85 -0.75 0.15 117.35 120.20 2kb2 s TYR 10 Ca 0.04 -1.22 -0.05 0.00 -0.52 0.00 0.00 57.07 55.32 2kb2 s TYR 10 Cb -0.07 -0.33 0.05 0.00 0.38 0.00 0.00 41.96 41.99 2kb2 s TYR 10 CO 0.00 -0.79 0.25 -0.98 -1.52 0.00 0.00 175.55 172.50 2kb2 s ARG 11 N -3.98 0.19 0.00 -3.49 1.70 -0.88 -0.99 118.95 111.51 2kb2 s ARG 11 Ca 0.34 0.58 0.00 0.00 -0.47 0.00 0.00 55.73 56.18 2kb2 s ARG 11 Cb 0.04 -0.11 0.00 0.00 -0.57 0.00 0.00 34.95 34.31 2kb2 s ARG 11 CO 0.13 -0.19 0.00 -1.13 -1.08 0.00 0.00 175.30 173.03 2kb2 n SER 12 N 4.51 1.24 0.00 -2.89 3.41 -0.22 -1.57 113.62 118.10 2kb2 n SER 12 Ca -0.21 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.40 2kb2 n SER 12 Cb 0.52 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.47 2kb2 n SER 12 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2kb2 n GLN 13 N 0.00 1.02 -2.62 4.33 6.02 -1.26 -2.35 117.38 122.52 2kb2 n GLN 13 Ca 0.00 0.00 -0.01 0.00 -0.01 0.00 0.00 57.00 56.98 2kb2 n GLN 13 Cb 0.00 0.00 0.01 0.00 1.02 0.00 0.00 30.24 31.27 2kb2 n GLN 13 CO 0.00 0.00 0.00 1.55 -1.01 0.00 0.00 177.06 177.60 2kb2 n VAL 14 N 0.00 0.00 -3.19 5.09 3.14 0.34 -4.11 118.33 119.60 2kb2 n VAL 14 Ca 0.00 -0.27 -0.46 0.00 -2.96 0.00 0.00 64.34 60.65 2kb2 n VAL 14 Cb 0.00 0.38 -0.03 0.00 -1.06 0.00 0.00 33.84 33.12 2kb2 n VAL 14 CO 0.00 0.00 0.00 -1.00 -6.46 0.00 0.00 176.83 169.37 2kb2 s HIS 15 N -4.09 3.32 0.04 1.45 3.76 -1.22 -4.76 115.29 113.79 2kb2 s HIS 15 Ca 0.11 -1.44 0.18 0.00 -0.15 0.00 0.00 55.06 53.76 2kb2 s HIS 15 Cb -0.01 -3.96 0.96 0.00 1.11 0.00 0.00 32.58 30.68 2kb2 s HIS 15 CO 0.03 -1.18 1.48 -1.00 -0.85 0.00 0.00 174.74 173.21 2kb2 h PRO 16 N 8.60 0.00 0.04 8.40 0.13 -1.94 0.85 132.00 148.09 2kb2 h PRO 16 Ca -0.08 0.00 -0.35 0.00 -0.87 0.00 0.00 66.00 64.70 2kb2 h PRO 16 Cb 1.06 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.15 2kb2 h PRO 16 CO 0.97 0.00 -2.04 -3.47 -0.23 0.00 0.00 178.00 173.24 2kb2 n ASP 17 N -2.21 1.35 -4.60 1.44 -0.08 -1.26 -4.96 116.55 106.23 2kb2 n ASP 17 Ca -0.01 0.19 -0.29 0.00 -1.51 0.00 0.00 54.79 53.17 2kb2 n ASP 17 Cb 0.25 -0.23 0.13 0.00 2.34 0.00 0.00 41.12 43.60 2kb2 n ASP 17 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2kb2 s ARG 18 N -2.56 1.35 0.94 -0.67 1.70 0.29 -5.08 118.95 114.93 2kb2 s ARG 18 Ca -0.16 -0.06 -0.15 0.00 -0.47 0.00 0.00 55.73 54.88 2kb2 s ARG 18 Cb 0.07 -1.90 0.19 0.00 -0.57 0.00 0.00 34.95 32.75 2kb2 s ARG 18 CO 0.77 -1.99 1.30 -1.25 -1.08 0.00 0.00 175.30 173.06 2kb2 s PRO 19 N -5.66 0.78 0.97 3.89 0.05 -1.26 -4.89 135.00 128.89 2kb2 s PRO 19 Ca 0.67 -0.38 -0.13 0.00 0.05 0.00 0.00 61.00 61.21 2kb2 s PRO 19 Cb -0.09 -1.87 0.07 0.00 0.05 0.00 0.00 34.50 32.66 2kb2 s PRO 19 CO 0.51 -2.32 0.50 -2.30 0.05 0.00 0.00 177.00 173.43 2kb2 n PRO 20 N -3.71 -0.53 -2.99 0.56 -0.02 -1.26 -4.93 135.00 122.12 2kb2 n PRO 20 Ca 0.15 -0.11 -0.31 0.00 -2.02 0.00 0.00 63.50 61.21 2kb2 n PRO 20 Cb 0.60 -1.93 -0.04 0.00 -0.02 0.00 0.00 33.50 32.11 2kb2 n PRO 20 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2kb2 s VAL 21 N -2.42 4.79 -1.17 -1.45 1.01 -1.26 -4.96 120.40 114.94 2kb2 s VAL 21 Ca 0.59 0.64 -0.08 0.00 0.00 0.00 0.00 61.98 63.13 2kb2 s VAL 21 Cb -0.21 -3.70 -0.05 0.00 0.00 0.00 0.00 36.38 32.42 2kb2 s VAL 21 CO 0.66 -0.40 2.91 0.47 0.00 0.00 0.00 175.10 178.74 2kb2 n ASP 22 N -0.99 7.80 0.00 3.32 8.00 -1.26 -4.72 116.55 128.70 2kb2 n ASP 22 Ca 0.02 -2.76 0.00 0.00 0.71 0.00 0.00 54.79 52.76 2kb2 n ASP 22 Cb 0.54 -1.46 0.00 0.00 -0.02 0.00 0.00 41.12 40.18 2kb2 n ASP 22 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2kb2 n LEU 23 N 2.68 0.00 -0.12 0.64 4.77 -1.26 0.15 117.00 123.87 2kb2 n LEU 23 Ca 0.66 0.00 -0.20 0.00 -0.03 0.00 0.00 56.01 56.44 2kb2 n LEU 23 Cb 0.38 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.37 2kb2 n LEU 23 CO 0.64 0.00 -1.27 -0.67 -1.33 0.00 0.00 177.39 174.76 2kb2 n ASP 24 N -0.68 2.04 0.08 -1.43 2.03 -1.26 -4.22 116.55 113.11 2kb2 n ASP 24 Ca 0.00 0.04 0.00 0.00 0.52 0.00 0.00 54.79 55.35 2kb2 n ASP 24 Cb 0.00 -0.49 -0.04 0.00 -0.72 0.00 0.00 41.12 39.87 2kb2 n ASP 24 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2kb2 h ALA 25 N -0.33 0.64 -0.39 -1.67 0.00 -0.52 -2.82 119.26 114.16 2kb2 h ALA 25 Ca -0.55 -0.68 -0.11 0.00 0.00 0.00 0.00 54.91 53.57 2kb2 h ALA 25 Cb 1.69 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.54 2kb2 h ALA 25 CO -0.19 0.82 -0.19 1.25 0.00 0.00 0.00 179.25 180.95 2kb2 h LEU 26 N 0.00 0.85 0.00 0.00 6.46 0.12 -2.86 115.31 119.88 2kb2 h LEU 26 Ca -0.08 -0.40 -0.21 0.00 -0.12 0.00 0.00 57.88 57.07 2kb2 h LEU 26 Cb 1.52 -0.23 -0.03 0.00 -0.73 0.00 0.00 40.66 41.18 2kb2 h LEU 26 CO 0.06 1.06 -1.17 1.62 -0.62 0.00 0.00 178.44 179.40 2kb2 h VAL 27 N 0.63 1.16 0.48 1.05 3.04 -1.73 -3.32 116.25 117.56 2kb2 h VAL 27 Ca 0.09 -2.82 -0.01 0.00 -1.01 0.00 0.00 66.70 62.95 2kb2 h VAL 27 Cb 0.74 2.54 -0.01 0.00 -2.01 0.00 0.00 31.29 32.55 2kb2 h VAL 27 CO 0.06 0.66 -0.38 -0.74 -1.01 0.00 0.00 177.57 176.16 2kb2 h HIS 28 N 0.00 -1.01 -0.00 3.17 6.17 -1.42 0.85 115.15 122.90 2kb2 h HIS 28 Ca -0.11 -0.00 0.00 0.00 0.71 0.00 0.00 60.37 60.97 2kb2 h HIS 28 Cb 1.74 0.38 -0.00 0.00 2.52 0.00 0.00 27.41 32.05 2kb2 h HIS 28 CO 0.00 -0.55 0.01 0.00 0.71 0.00 0.00 177.93 178.10 2kb2 h ARG 29 N -0.85 0.00 0.07 5.26 -0.00 -1.66 -2.42 114.38 114.78 2kb2 h ARG 29 Ca -0.05 0.00 -0.00 0.00 -0.50 0.00 0.00 59.98 59.43 2kb2 h ARG 29 Cb 0.72 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.69 2kb2 h ARG 29 CO -0.00 0.00 -0.03 0.00 0.00 0.00 0.00 179.97 179.94 2kb2 h ALA 30 N 1.99 -0.12 -0.46 0.04 0.00 -1.38 -2.98 119.26 116.34 2kb2 h ALA 30 Ca 0.00 -0.02 0.13 0.00 0.00 0.00 0.00 54.91 55.03 2kb2 h ALA 30 Cb 0.02 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 2kb2 h ALA 30 CO -0.00 -0.12 0.58 1.03 0.00 0.00 0.00 179.25 180.74 2kb2 h SER 31 N -0.67 0.00 0.67 0.00 0.87 -0.77 0.44 113.55 114.10 2kb2 h SER 31 Ca -0.01 0.00 -0.25 0.00 -1.23 0.00 0.00 61.79 60.30 2kb2 h SER 31 Cb 0.07 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.02 2kb2 h SER 31 CO 0.01 0.00 -1.14 -1.28 -0.53 0.00 0.00 176.83 173.89 2kb2 h SER 32 N 0.00 0.34 0.00 6.23 0.87 -1.53 -3.00 113.55 116.47 2kb2 h SER 32 Ca 0.22 -0.35 -0.11 0.00 -1.23 0.00 0.00 61.79 60.32 2kb2 h SER 32 Cb 1.38 -0.11 -0.02 0.00 -0.44 0.00 0.00 62.40 63.22 2kb2 h SER 32 CO -0.00 1.25 -0.62 0.50 -0.53 0.00 0.00 176.83 177.43 2kb2 h LYS 33 N 0.08 0.00 -0.96 2.24 3.64 -0.11 -3.38 116.57 118.08 2kb2 h LYS 33 Ca -0.10 0.00 0.08 0.00 -1.27 0.00 0.00 60.65 59.36 2kb2 h LYS 33 Cb 1.86 0.00 -0.07 0.00 -0.41 0.00 0.00 32.23 33.62 2kb2 h LYS 33 CO 0.18 0.86 0.62 -0.91 -2.27 0.00 0.00 179.45 177.92 2kb2 h ASN 34 N -1.00 0.95 0.09 4.20 4.21 -0.86 -1.56 115.58 121.60 2kb2 h ASN 34 Ca -0.16 0.02 0.01 0.00 1.21 0.00 0.00 56.30 57.38 2kb2 h ASN 34 Cb 1.03 -0.18 -0.04 0.00 -1.12 0.00 0.00 38.32 38.01 2kb2 h ASN 34 CO -0.10 0.59 -0.44 0.25 -1.29 0.00 0.00 177.43 176.44 2kb2 h LEU 35 N 1.06 -1.32 -1.57 1.61 5.85 -1.65 0.26 115.31 119.55 2kb2 h LEU 35 Ca 0.43 0.14 -0.01 0.00 0.84 0.00 0.00 57.88 59.27 2kb2 h LEU 35 Cb 0.26 0.49 -0.00 0.00 0.37 0.00 0.00 40.66 41.77 2kb2 h LEU 35 CO -0.18 -0.45 -0.07 1.55 -0.34 0.00 0.00 178.44 178.95 2kb2 h PRO 36 N -0.61 0.00 0.00 5.25 0.13 -1.71 -2.37 132.00 132.69 2kb2 h PRO 36 Ca -0.00 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 65.04 2kb2 h PRO 36 Cb 0.62 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.74 2kb2 h PRO 36 CO -0.24 0.07 -0.40 -0.07 -0.23 0.00 0.00 178.00 177.13 2kb2 h LEU 37 N 0.00 0.00 0.00 1.56 3.38 -0.20 -3.46 115.31 116.59 2kb2 h LEU 37 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2kb2 h LEU 37 Cb 0.50 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.25 2kb2 h LEU 37 CO 0.01 0.40 0.00 0.61 0.09 0.00 0.00 178.44 179.55 2kb2 n GLY 38 N 0.00 0.63 3.85 0.83 0.00 0.44 -4.93 105.19 106.01 2kb2 n GLY 38 Ca -0.01 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.69 2kb2 n GLY 38 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2kb2 s ILE 39 N -2.00 4.67 -0.11 -0.61 1.01 0.61 -4.49 121.20 120.28 2kb2 s ILE 39 Ca 0.00 0.94 -0.09 0.00 0.00 0.00 0.00 60.65 61.51 2kb2 s ILE 39 Cb 0.00 -3.64 0.03 0.00 0.01 0.00 0.00 42.46 38.86 2kb2 s ILE 39 CO 0.00 -0.29 0.28 -0.89 0.00 0.00 0.00 174.94 174.04 2kb2 s THR 40 N -2.12 -0.01 -0.32 2.92 2.01 -0.43 -3.94 115.64 113.75 2kb2 s THR 40 Ca 0.55 0.04 0.00 0.00 0.31 0.00 0.00 61.69 62.58 2kb2 s THR 40 Cb -0.10 -0.41 0.00 0.00 0.01 0.00 0.00 72.50 72.00 2kb2 s THR 40 CO 0.21 0.02 0.00 0.61 -0.69 0.00 0.00 174.62 174.76 2kb2 n GLY 41 N 3.31 -0.58 3.30 4.40 0.00 -0.24 0.42 105.19 115.80 2kb2 n GLY 41 Ca -0.16 -0.59 -0.13 0.00 0.00 0.00 0.00 46.02 45.13 2kb2 n GLY 41 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2kb2 s ILE 42 N -3.11 0.05 0.32 -0.61 2.07 -0.57 -3.17 121.20 116.19 2kb2 s ILE 42 Ca 0.00 -0.44 0.09 0.00 -1.41 0.00 0.00 60.65 58.90 2kb2 s ILE 42 Cb 0.00 -0.82 -0.05 0.00 0.13 0.00 0.00 42.46 41.72 2kb2 s ILE 42 CO 0.00 -0.24 0.02 -0.76 -1.91 0.00 0.00 174.94 172.05 2kb2 s LEU 43 N -1.64 3.08 0.03 8.50 1.43 -0.37 -0.45 118.68 129.26 2kb2 s LEU 43 Ca -0.09 -0.85 -0.03 0.00 -1.03 0.00 0.00 54.13 52.12 2kb2 s LEU 43 Cb -0.02 -1.52 -0.02 0.00 0.03 0.00 0.00 46.19 44.66 2kb2 s LEU 43 CO 0.02 -0.17 0.03 -0.76 0.23 0.00 0.00 176.35 175.70 2kb2 s LEU 44 N -3.72 2.06 -0.14 1.79 1.02 0.13 0.36 118.68 120.18 2kb2 s LEU 44 Ca 0.34 -0.57 -0.10 0.00 0.02 0.00 0.00 54.13 53.83 2kb2 s LEU 44 Cb -0.03 0.35 0.05 0.00 0.02 0.00 0.00 46.19 46.58 2kb2 s LEU 44 CO 0.20 -0.43 0.35 0.12 0.02 0.00 0.00 176.35 176.61 2kb2 s PHE 45 N -2.28 -0.46 -0.09 0.29 5.36 -0.76 -2.07 117.98 117.97 2kb2 s PHE 45 Ca -0.08 1.04 0.13 0.00 -0.96 0.00 0.00 56.93 57.06 2kb2 s PHE 45 Cb -0.04 0.17 0.20 0.00 -0.34 0.00 0.00 43.02 43.01 2kb2 s PHE 45 CO -0.04 -0.25 1.08 0.27 -1.46 0.00 0.00 175.22 174.83 2kb2 n ASN 46 N 3.67 1.91 0.00 6.13 0.23 -1.17 0.14 115.26 126.17 2kb2 n ASN 46 Ca -0.19 -2.70 0.00 0.00 -0.53 0.00 0.00 54.58 51.16 2kb2 n ASN 46 Cb 0.56 -0.32 0.00 0.00 -2.08 0.00 0.00 39.78 37.94 2kb2 n ASN 46 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2kb2 n GLY 47 N -1.05 0.74 0.00 4.83 0.00 -1.26 -4.75 105.19 103.71 2kb2 n GLY 47 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 2kb2 n GLY 47 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2kb2 n LEU 48 N 0.00 0.00 -4.59 0.99 -0.00 -1.26 -4.99 117.00 107.15 2kb2 n LEU 48 Ca 0.00 0.00 -0.27 0.00 -0.00 0.00 0.00 56.01 55.74 2kb2 n LEU 48 Cb 0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 43.42 43.31 2kb2 n LEU 48 CO 0.00 0.00 -0.33 -1.10 -0.00 0.00 0.00 177.39 175.96 2kb2 s GLN 49 N -1.00 1.91 -0.20 1.96 -0.21 -1.26 -0.50 119.66 120.36 2kb2 s GLN 49 Ca 0.00 -2.01 -0.00 0.00 0.02 0.00 0.00 55.36 53.37 2kb2 s GLN 49 Cb 0.00 -1.69 0.05 0.00 1.00 0.00 0.00 33.01 32.37 2kb2 s GLN 49 CO 0.00 0.04 -0.05 -0.06 -2.12 0.00 0.00 175.29 173.10 2kb2 s PHE 50 N -2.65 1.93 -0.27 0.91 0.08 -0.99 -3.03 117.98 113.96 2kb2 s PHE 50 Ca 0.34 -1.35 -0.09 0.00 0.12 0.00 0.00 56.93 55.95 2kb2 s PHE 50 Cb 0.06 -1.40 -0.04 0.00 -0.57 0.00 0.00 43.02 41.07 2kb2 s PHE 50 CO 0.18 -0.69 0.14 0.12 -0.10 0.00 0.00 175.22 174.87 2kb2 s PHE 51 N 1.56 3.16 -0.13 0.36 5.36 -0.88 -1.05 117.98 126.35 2kb2 s PHE 51 Ca -0.02 -0.12 0.02 0.00 -0.96 0.00 0.00 56.93 55.85 2kb2 s PHE 51 Cb -0.17 -2.32 0.01 0.00 -0.34 0.00 0.00 43.02 40.20 2kb2 s PHE 51 CO -0.07 -0.25 -0.18 -1.14 -1.46 0.00 0.00 175.22 172.12 2kb2 s GLN 52 N 1.70 2.63 -0.44 10.12 0.74 -0.16 0.17 119.66 134.42 2kb2 s GLN 52 Ca 0.07 -0.71 -0.17 0.00 0.05 0.00 0.00 55.36 54.60 2kb2 s GLN 52 Cb -0.16 -2.20 0.03 0.00 1.10 0.00 0.00 33.01 31.79 2kb2 s GLN 52 CO 0.08 -0.07 0.46 0.08 -0.55 0.00 0.00 175.29 175.29 2kb2 s VAL 53 N 0.99 5.07 -0.08 1.34 1.01 0.41 -1.81 120.40 127.33 2kb2 s VAL 53 Ca -0.05 -0.44 -0.00 0.00 0.00 0.00 0.00 61.98 61.49 2kb2 s VAL 53 Cb -0.15 -4.09 -0.03 0.00 0.00 0.00 0.00 36.38 32.12 2kb2 s VAL 53 CO -0.04 -0.49 -0.04 -0.22 0.00 0.00 0.00 175.10 174.31 2kb2 s LEU 54 N 2.16 3.34 0.11 3.92 2.96 0.78 -1.51 118.68 130.45 2kb2 s LEU 54 Ca 0.12 0.04 0.07 0.00 -0.22 0.00 0.00 54.13 54.14 2kb2 s LEU 54 Cb -0.18 -1.75 -0.04 0.00 0.50 0.00 0.00 46.19 44.73 2kb2 s LEU 54 CO 0.13 0.36 -0.16 -1.61 -1.32 0.00 0.00 176.35 173.75 2kb2 s GLU 55 N -0.80 1.05 0.00 1.98 0.41 0.17 -0.57 118.70 120.94 2kb2 s GLU 55 Ca 0.12 -1.19 0.00 0.00 -0.41 0.00 0.00 54.97 53.49 2kb2 s GLU 55 Cb -0.11 -1.07 0.00 0.00 -1.78 0.00 0.00 34.13 31.17 2kb2 s GLU 55 CO 0.02 0.23 0.00 0.41 -0.49 0.00 0.00 175.26 175.42 2kb2 n GLY 56 N 0.77 1.66 3.70 -1.39 0.00 0.20 -1.31 105.19 108.81 2kb2 n GLY 56 Ca -0.17 -1.98 -0.43 0.00 0.00 0.00 0.00 46.02 43.45 2kb2 n GLY 56 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2kb2 n THR 57 N -1.75 1.91 -0.00 2.61 -2.24 -1.26 0.61 114.28 114.15 2kb2 n THR 57 Ca 0.00 -0.48 0.23 0.00 -2.27 0.00 0.00 64.05 61.53 2kb2 n THR 57 Cb 0.00 -1.58 0.72 0.00 -2.10 0.00 0.00 70.33 67.37 2kb2 n THR 57 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 2kb2 h GLU 58 N 2.72 0.00 -0.20 -0.78 4.81 -1.84 0.20 114.58 119.48 2kb2 h GLU 58 Ca -0.46 0.00 -0.15 0.00 -0.13 0.00 0.00 59.36 58.62 2kb2 h GLU 58 Cb 1.28 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.65 2kb2 h GLU 58 CO 0.64 0.00 -0.50 1.05 -0.73 0.00 0.00 179.01 179.47 2kb2 h GLU 59 N 0.00 0.55 0.08 1.92 4.11 -1.95 -2.12 114.58 117.18 2kb2 h GLU 59 Ca 0.27 -0.32 -0.26 0.00 0.07 0.00 0.00 59.36 59.12 2kb2 h GLU 59 Cb 1.27 0.03 0.02 0.00 0.50 0.00 0.00 28.75 30.57 2kb2 h GLU 59 CO -0.00 0.92 -1.06 0.00 0.07 0.00 0.00 179.01 178.94 2kb2 h ALA 60 N 1.02 0.02 -0.83 1.06 0.00 -1.00 -3.05 119.26 116.47 2kb2 h ALA 60 Ca 0.02 -0.72 -0.02 0.00 0.00 0.00 0.00 54.91 54.19 2kb2 h ALA 60 Cb 1.03 0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.87 2kb2 h ALA 60 CO 0.09 0.60 0.42 -0.07 0.00 0.00 0.00 179.25 180.30 2kb2 h LEU 61 N 0.18 1.06 0.82 0.00 3.38 -1.25 0.16 115.31 119.65 2kb2 h LEU 61 Ca -0.16 -0.11 -0.04 0.00 0.09 0.00 0.00 57.88 57.66 2kb2 h LEU 61 Cb 1.75 -0.27 0.01 0.00 0.09 0.00 0.00 40.66 42.24 2kb2 h LEU 61 CO 0.21 0.87 -0.39 -0.08 0.09 0.00 0.00 178.44 179.14 2kb2 h GLU 62 N 1.17 -1.06 -0.62 1.13 4.22 -1.44 0.98 114.58 118.96 2kb2 h GLU 62 Ca 0.29 0.07 0.03 0.00 0.08 0.00 0.00 59.36 59.83 2kb2 h GLU 62 Cb 0.07 0.24 -0.04 0.00 0.50 0.00 0.00 28.75 29.52 2kb2 h GLU 62 CO -0.04 -0.69 0.38 0.77 -2.18 0.00 0.00 179.01 177.24 2kb2 h SER 63 N -1.23 0.61 0.53 1.04 0.02 -1.49 -0.11 113.55 112.92 2kb2 h SER 63 Ca -0.11 0.01 -0.03 0.00 -0.84 0.00 0.00 61.79 60.82 2kb2 h SER 63 Cb 0.85 -0.12 0.01 0.00 0.14 0.00 0.00 62.40 63.27 2kb2 h SER 63 CO 0.18 0.42 -0.25 0.25 -1.14 0.00 0.00 176.83 176.29 2kb2 h LEU 64 N 0.74 -0.60 -1.92 5.07 7.12 -0.96 -0.54 115.31 124.22 2kb2 h LEU 64 Ca 0.26 0.02 0.35 0.00 0.13 0.00 0.00 57.88 58.63 2kb2 h LEU 64 Cb 0.05 0.15 -0.05 0.00 -0.53 0.00 0.00 40.66 40.28 2kb2 h LEU 64 CO -0.11 -0.40 0.85 0.15 -0.13 0.00 0.00 178.44 178.80 2kb2 h PHE 65 N -0.76 0.08 -0.01 1.25 3.57 -0.76 1.11 116.94 121.41 2kb2 h PHE 65 Ca -0.07 0.00 -0.16 0.00 3.53 0.00 0.00 57.97 61.27 2kb2 h PHE 65 Cb 0.54 -0.02 -0.02 0.00 2.79 0.00 0.00 35.95 39.24 2kb2 h PHE 65 CO 0.09 0.00 -0.75 1.03 -2.23 0.00 0.00 178.31 176.45 2kb2 h SER 66 N 0.04 0.10 0.62 0.41 0.87 -0.58 -2.71 113.55 112.30 2kb2 h SER 66 Ca 0.58 -0.07 -0.10 0.00 -1.23 0.00 0.00 61.79 60.97 2kb2 h SER 66 Cb 2.25 -0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 64.16 2kb2 h SER 66 CO -0.04 0.81 -0.47 -0.33 -0.53 0.00 0.00 176.83 176.26 2kb2 h GLU 67 N 0.05 0.00 0.36 2.24 4.39 0.28 -3.10 114.58 118.80 2kb2 h GLU 67 Ca -0.02 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.67 2kb2 h GLU 67 Cb 1.32 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.97 2kb2 h GLU 67 CO 0.10 0.47 -0.17 0.82 -1.16 0.00 0.00 179.01 179.08 2kb2 h ILE 68 N 0.00 0.61 0.00 3.13 5.03 -0.91 -2.86 117.51 122.50 2kb2 h ILE 68 Ca -0.00 -0.52 0.00 0.00 -0.12 0.00 0.00 64.86 64.21 2kb2 h ILE 68 Cb 0.91 0.85 0.00 0.00 -3.03 0.00 0.00 36.82 35.56 2kb2 h ILE 68 CO 0.06 0.09 0.00 0.00 -0.68 0.00 0.00 178.15 177.63 2kb2 n GLN 69 N -5.17 0.02 -0.45 2.37 6.02 -1.05 -0.43 117.38 118.68 2kb2 n GLN 69 Ca -0.10 0.44 0.10 0.00 -0.01 0.00 0.00 57.00 57.42 2kb2 n GLN 69 Cb 0.27 -1.55 0.31 0.00 1.02 0.00 0.00 30.24 30.29 2kb2 n GLN 69 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.06 176.48 2kb2 n SER 70 N -1.58 3.95 -4.85 1.08 7.64 -1.08 -4.94 113.62 113.84 2kb2 n SER 70 Ca 0.01 -2.20 -0.36 0.00 1.01 0.00 0.00 58.87 57.33 2kb2 n SER 70 Cb 0.06 -0.50 -0.06 0.00 -1.01 0.00 0.00 64.21 62.71 2kb2 n SER 70 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 2kb2 s ASP 71 N -0.93 6.77 -0.10 6.43 1.01 0.42 -4.99 116.67 125.28 2kb2 s ASP 71 Ca 0.45 0.97 0.08 0.00 0.71 0.00 0.00 52.55 54.77 2kb2 s ASP 71 Cb 0.26 -2.25 0.41 0.00 1.01 0.00 0.00 42.92 42.36 2kb2 s ASP 71 CO 0.26 0.17 1.17 -0.81 0.21 0.00 0.00 175.17 176.17 2kb2 n PRO 72 N 1.04 2.86 -0.00 8.23 -0.04 -1.26 -4.42 135.00 141.40 2kb2 n PRO 72 Ca -0.08 -1.60 -0.00 0.00 -0.04 0.00 0.00 63.50 61.78 2kb2 n PRO 72 Cb 0.52 -1.81 -0.00 0.00 -0.04 0.00 0.00 33.50 32.17 2kb2 n PRO 72 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 2kb2 n ARG 73 N 0.37 0.02 0.00 0.54 0.63 -1.26 -4.99 116.66 111.97 2kb2 n ARG 73 Ca 0.14 0.08 0.00 0.00 -0.92 0.00 0.00 57.85 57.15 2kb2 n ARG 73 Cb 0.68 -0.61 0.00 0.00 0.45 0.00 0.00 32.46 32.98 2kb2 n ARG 73 CO 0.00 0.00 0.00 -2.39 -2.51 0.00 0.00 177.63 172.73 2kb2 n HIS 74 N -2.52 -0.05 0.19 -0.14 1.44 -1.26 -3.45 115.22 109.43 2kb2 n HIS 74 Ca -0.01 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.70 2kb2 n HIS 74 Cb 0.02 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.13 2kb2 n HIS 74 CO 0.00 0.00 0.00 2.89 -2.81 0.00 0.00 176.34 176.42 2kb2 n ARG 75 N 0.00 0.00 -1.29 -1.40 1.85 -1.26 -4.65 116.66 109.92 2kb2 n ARG 75 Ca 0.00 0.00 -0.23 0.00 -1.00 0.00 0.00 57.85 56.62 2kb2 n ARG 75 Cb 0.00 0.00 -0.04 0.00 -1.05 0.00 0.00 32.46 31.37 2kb2 n ARG 75 CO 0.00 0.00 0.00 -3.47 -0.01 0.00 0.00 177.63 174.15 2kb2 n ASP 76 N -3.34 6.37 -4.63 2.89 2.03 -1.26 -4.86 116.55 113.75 2kb2 n ASP 76 Ca 0.00 -3.11 -0.43 0.00 0.52 0.00 0.00 54.79 51.78 2kb2 n ASP 76 Cb 0.00 -1.20 -0.02 0.00 -0.72 0.00 0.00 41.12 39.18 2kb2 n ASP 76 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 2kb2 s VAL 77 N -1.99 3.78 -0.01 5.18 0.11 -1.25 -3.93 120.40 122.29 2kb2 s VAL 77 Ca 0.52 0.88 0.06 0.00 -2.93 0.00 0.00 61.98 60.51 2kb2 s VAL 77 Cb 0.34 -3.79 -0.02 0.00 -1.53 0.00 0.00 36.38 31.39 2kb2 s VAL 77 CO -0.15 -0.32 -0.20 0.54 -3.33 0.00 0.00 175.10 171.64 2kb2 s VAL 78 N 5.02 1.60 -0.32 2.04 0.11 -0.61 -4.92 120.40 123.33 2kb2 s VAL 78 Ca 0.69 -0.90 -0.28 0.00 -2.93 0.00 0.00 61.98 58.55 2kb2 s VAL 78 Cb -0.23 -1.34 -0.02 0.00 -1.53 0.00 0.00 36.38 33.25 2kb2 s VAL 78 CO 0.28 0.43 1.85 -0.70 -3.33 0.00 0.00 175.10 173.63 2kb2 s GLU 79 N -0.55 3.30 0.01 1.54 2.12 -1.26 -2.06 118.70 121.80 2kb2 s GLU 79 Ca 0.08 1.49 0.04 0.00 0.36 0.00 0.00 54.97 56.94 2kb2 s GLU 79 Cb -0.08 -4.22 -0.24 0.00 0.26 0.00 0.00 34.13 29.84 2kb2 s GLU 79 CO -0.01 -1.90 0.89 -0.07 -0.54 0.00 0.00 175.26 173.63 2kb2 h LEU 80 N 13.91 0.17 -8.17 2.70 4.07 0.10 -3.48 115.31 124.62 2kb2 h LEU 80 Ca -0.34 -0.26 -0.06 0.00 0.08 0.00 0.00 57.88 57.30 2kb2 h LEU 80 Cb 1.18 -0.06 -0.10 0.00 1.08 0.00 0.00 40.66 42.77 2kb2 h LEU 80 CO 1.03 1.22 -0.12 -0.32 -1.08 0.00 0.00 178.44 179.16 2kb2 s MET 81 N -2.63 1.49 0.00 1.13 1.75 0.11 -4.89 119.30 116.26 2kb2 s MET 81 Ca -0.06 -1.20 0.00 0.00 -1.25 0.00 0.00 55.69 53.18 2kb2 s MET 81 Cb 0.08 0.47 0.00 0.00 2.84 0.00 0.00 34.83 38.22 2kb2 s MET 81 CO 0.83 -0.62 0.00 -2.13 -0.65 0.00 0.00 175.02 172.46 2kb2 n ARG 82 N -0.36 0.00 -4.19 4.11 0.63 -1.03 -1.19 116.66 114.63 2kb2 n ARG 82 Ca -0.03 0.00 -0.16 0.00 -0.92 0.00 0.00 57.85 56.74 2kb2 n ARG 82 Cb 0.62 0.00 -0.13 0.00 0.45 0.00 0.00 32.46 33.40 2kb2 n ARG 82 CO 0.00 0.00 0.00 0.34 -2.51 0.00 0.00 177.63 175.46 2kb2 s ASP 83 N 0.00 1.12 0.96 6.15 -1.08 -0.87 -4.90 116.67 118.04 2kb2 s ASP 83 Ca 0.00 -0.41 -0.11 0.00 -0.52 0.00 0.00 52.55 51.51 2kb2 s ASP 83 Cb 0.00 -0.04 0.17 0.00 -1.46 0.00 0.00 42.92 41.59 2kb2 s ASP 83 CO 0.00 -0.05 1.11 -0.31 0.52 0.00 0.00 175.17 176.43 2kb2 s TYR 84 N -0.89 1.72 0.25 -5.34 2.02 -1.26 0.57 117.35 114.42 2kb2 s TYR 84 Ca -0.03 1.57 -0.21 0.00 -0.37 0.00 0.00 57.07 58.03 2kb2 s TYR 84 Cb -0.07 -3.23 0.04 0.00 -0.40 0.00 0.00 41.96 38.29 2kb2 s TYR 84 CO 0.01 -2.93 0.82 -1.12 -1.57 0.00 0.00 175.55 170.76 2kb2 s SER 85 N -2.79 -0.18 0.00 2.29 0.01 0.11 -4.67 113.70 108.48 2kb2 s SER 85 Ca 0.66 -0.64 0.00 0.00 1.31 0.00 0.00 55.95 57.28 2kb2 s SER 85 Cb -0.22 0.66 0.00 0.00 0.21 0.00 0.00 66.02 66.67 2kb2 s SER 85 CO 0.59 -1.25 0.42 0.00 0.41 0.00 0.00 173.24 173.42 2kb2 n ALA 86 N -0.49 1.04 -3.35 1.44 0.00 -1.26 -0.71 120.51 117.19 2kb2 n ALA 86 Ca -0.05 -0.42 -0.14 0.00 0.00 0.00 0.00 53.44 52.83 2kb2 n ALA 86 Cb 0.60 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.96 2kb2 n ALA 86 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.50 179.02 2kb2 s TYR 87 N -0.16 -0.45 -0.43 0.00 1.13 -1.26 -4.93 117.35 111.24 2kb2 s TYR 87 Ca 0.00 1.01 -0.27 0.00 -1.41 0.00 0.00 57.07 56.40 2kb2 s TYR 87 Cb 0.00 0.18 0.02 0.00 -1.10 0.00 0.00 41.96 41.06 2kb2 s TYR 87 CO 0.00 -0.31 1.02 1.03 -2.51 0.00 0.00 175.55 174.78 2kb2 s ARG 88 N -0.25 3.72 0.46 -3.49 0.52 -1.26 -4.90 118.95 113.75 2kb2 s ARG 88 Ca -0.04 0.49 0.17 0.00 -0.52 0.00 0.00 55.73 55.82 2kb2 s ARG 88 Cb -0.03 -3.88 1.09 0.00 0.52 0.00 0.00 34.95 32.65 2kb2 s ARG 88 CO 0.02 -1.20 2.01 0.00 0.02 0.00 0.00 175.30 176.15 2kb2 h ARG 89 N 8.92 0.00 -4.88 3.54 -0.00 -1.93 -3.39 114.38 116.64 2kb2 h ARG 89 Ca -0.23 0.00 -0.67 0.00 -0.50 0.00 0.00 59.98 58.58 2kb2 h ARG 89 Cb 1.07 0.00 -0.29 0.00 0.00 0.00 0.00 29.97 30.75 2kb2 h ARG 89 CO 1.06 0.17 -0.69 -0.06 0.00 0.00 0.00 179.97 180.45 2kb2 s PHE 90 N -4.55 3.08 -0.19 3.04 0.40 -1.26 -2.64 117.98 115.87 2kb2 s PHE 90 Ca -0.04 -1.20 -0.05 0.00 -0.60 0.00 0.00 56.93 55.05 2kb2 s PHE 90 Cb 0.15 -2.15 -0.02 0.00 0.51 0.00 0.00 43.02 41.51 2kb2 s PHE 90 CO 0.68 -0.63 -0.01 -1.58 0.70 0.00 0.00 175.22 174.37 2kb2 s HIS 91 N 1.43 3.03 0.00 0.36 2.46 -1.26 -4.44 115.29 116.86 2kb2 s HIS 91 Ca 0.02 -0.43 0.00 0.00 0.47 0.00 0.00 55.06 55.13 2kb2 s HIS 91 Cb -0.16 -2.04 0.00 0.00 -0.13 0.00 0.00 32.58 30.24 2kb2 s HIS 91 CO -0.01 -0.19 0.00 0.41 -2.47 0.00 0.00 174.74 172.48 2kb2 n GLY 92 N 4.03 1.47 2.95 1.59 0.00 -1.26 -4.64 105.19 109.33 2kb2 n GLY 92 Ca -0.17 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.55 2kb2 n GLY 92 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2kb2 s THR 93 N -3.69 2.70 0.32 2.61 2.01 -1.26 -4.94 115.64 113.39 2kb2 s THR 93 Ca 0.00 -3.52 0.00 0.00 0.31 0.00 0.00 61.69 58.49 2kb2 s THR 93 Cb 0.00 -2.85 0.24 0.00 0.01 0.00 0.00 72.50 69.90 2kb2 s THR 93 CO 0.00 -0.85 1.96 1.23 -0.69 0.00 0.00 174.62 176.27 2kb2 h GLY 94 N 6.28 0.97 -5.80 4.40 0.00 -1.82 -2.45 103.07 104.65 2kb2 h GLY 94 Ca -0.03 -0.40 0.13 0.00 0.00 0.00 0.00 47.33 47.02 2kb2 h GLY 94 CO 0.70 0.39 0.63 -0.29 0.00 0.00 0.00 176.54 177.97 2kb2 s MET 95 N -5.67 0.28 -0.27 4.80 1.75 -1.19 -1.08 119.30 117.92 2kb2 s MET 95 Ca -0.10 0.36 0.00 0.00 -1.25 0.00 0.00 55.69 54.70 2kb2 s MET 95 Cb 0.17 0.12 0.16 0.00 2.84 0.00 0.00 34.83 38.12 2kb2 s MET 95 CO 0.78 -0.04 0.43 1.03 -0.65 0.00 0.00 175.02 176.57 2kb2 s ARG 96 N 0.37 0.41 0.92 4.11 0.52 -1.22 -4.50 118.95 119.56 2kb2 s ARG 96 Ca 0.02 0.42 -0.10 0.00 -0.52 0.00 0.00 55.73 55.55 2kb2 s ARG 96 Cb -0.05 -0.24 0.15 0.00 0.52 0.00 0.00 34.95 35.33 2kb2 s ARG 96 CO -0.11 -0.83 1.14 -1.50 0.02 0.00 0.00 175.30 174.02 2kb2 s ILE 97 N 2.60 2.05 -0.36 1.52 -1.16 -1.26 -1.23 121.20 123.36 2kb2 s ILE 97 Ca 0.12 0.02 0.00 0.00 -0.51 0.00 0.00 60.65 60.28 2kb2 s ILE 97 Cb -0.14 -2.04 0.14 0.00 0.61 0.00 0.00 42.46 41.03 2kb2 s ILE 97 CO -0.23 -0.02 0.21 -0.22 -2.81 0.00 0.00 174.94 171.87 2kb2 s LEU 98 N -6.63 1.25 -0.85 8.50 2.96 0.16 -4.73 118.68 119.34 2kb2 s LEU 98 Ca 0.67 -2.20 -0.26 0.00 -0.22 0.00 0.00 54.13 52.12 2kb2 s LEU 98 Cb -0.23 -0.50 -0.12 0.00 0.50 0.00 0.00 46.19 45.84 2kb2 s LEU 98 CO 0.58 -0.31 2.25 -0.62 -1.32 0.00 0.00 176.35 176.93 2kb2 s ASP 99 N 1.02 4.23 0.63 3.68 2.15 -1.26 -1.83 116.67 125.28 2kb2 s ASP 99 Ca 0.17 -0.26 0.34 0.00 0.43 0.00 0.00 52.55 53.24 2kb2 s ASP 99 Cb -0.23 -2.56 1.95 0.00 -0.30 0.00 0.00 42.92 41.78 2kb2 s ASP 99 CO -0.01 -3.61 2.20 -0.07 -0.17 0.00 0.00 175.17 173.51 2kb2 h LEU 100 N 21.15 0.00 -1.75 -1.34 3.38 -0.65 0.18 115.31 136.28 2kb2 h LEU 100 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 2kb2 h LEU 100 Cb 1.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.75 2kb2 h LEU 100 CO 1.07 0.00 0.13 0.03 0.09 0.00 0.00 178.44 179.76 2kb2 h ARG 101 N 0.00 0.00 0.07 1.13 2.47 -1.85 -1.00 114.38 115.20 2kb2 h ARG 101 Ca 0.03 0.00 -0.33 0.00 -1.26 0.00 0.00 59.98 58.41 2kb2 h ARG 101 Cb 0.26 0.00 -0.03 0.00 -1.65 0.00 0.00 29.97 28.54 2kb2 h ARG 101 CO -0.00 0.00 -1.85 1.28 0.56 0.00 0.00 179.97 179.96 2kb2 n LEU 102 N -2.50 2.38 0.00 3.04 4.77 0.63 -5.00 117.00 120.31 2kb2 n LEU 102 Ca -0.02 0.25 0.00 0.00 -0.03 0.00 0.00 56.01 56.22 2kb2 n LEU 102 Cb 0.17 -1.03 0.00 0.00 -2.33 0.00 0.00 43.42 40.23 2kb2 n LEU 102 CO 0.12 0.66 0.00 0.49 -1.33 0.00 0.00 177.39 177.33 2kb2 n PHE 103 N -3.82 0.00 -2.80 -1.77 3.72 -0.38 -5.06 117.46 107.36 2kb2 n PHE 103 Ca -0.35 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.05 2kb2 n PHE 103 Cb 0.92 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.46 2kb2 n PHE 103 CO 0.00 0.00 0.00 -0.85 -0.05 0.00 0.00 176.76 175.86 2kb2 n GLU 104 N 0.00 0.00 0.44 -1.08 0.28 -1.26 -4.83 120.64 114.19 2kb2 n GLU 104 Ca 0.00 0.00 -0.18 0.00 -0.16 0.00 0.00 57.16 56.82 2kb2 n GLU 104 Cb 0.00 0.00 -0.09 0.00 1.43 0.00 0.00 31.44 32.78 2kb2 n GLU 104 CO 0.00 0.00 0.00 1.15 -0.16 0.00 0.00 177.13 178.12 2kb2 h THR 105 N 0.05 0.06 0.00 3.84 2.02 -1.93 0.17 112.91 117.11 2kb2 h THR 105 Ca 0.00 -0.14 -0.08 0.00 0.77 0.00 0.00 66.41 66.96 2kb2 h THR 105 Cb 0.00 0.07 -0.01 0.00 -1.74 0.00 0.00 68.15 66.47 2kb2 h THR 105 CO 0.00 0.00 -0.36 -0.78 0.37 0.00 0.00 175.52 174.75 2kb2 h ASP 106 N -1.26 0.00 0.19 4.18 3.58 -1.98 -2.93 116.42 118.19 2kb2 h ASP 106 Ca -0.12 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.33 2kb2 h ASP 106 Cb 0.87 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.92 2kb2 h ASP 106 CO 0.19 0.36 -0.09 1.23 -2.88 0.00 0.00 179.24 178.05 2kb2 h GLY 107 N 3.03 -0.26 -0.17 -0.78 0.00 -1.92 -2.33 103.07 100.63 2kb2 h GLY 107 Ca -0.00 0.10 0.22 0.00 0.00 0.00 0.00 47.33 47.64 2kb2 h GLY 107 CO 0.05 -0.10 0.40 0.00 0.00 0.00 0.00 176.54 176.89 2kb2 h ALA 108 N -1.72 1.43 -0.87 3.60 0.00 -0.78 0.39 119.26 121.30 2kb2 h ALA 108 Ca -0.03 0.16 0.04 0.00 0.00 0.00 0.00 54.91 55.08 2kb2 h ALA 108 Cb 0.19 0.14 -0.05 0.00 0.00 0.00 0.00 17.79 18.07 2kb2 h ALA 108 CO 0.04 -0.33 0.56 -0.07 0.00 0.00 0.00 179.25 179.45 2kb2 h LEU 109 N 0.41 0.92 -0.89 0.00 3.38 -1.59 -1.28 115.31 116.27 2kb2 h LEU 109 Ca 0.55 -0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.50 2kb2 h LEU 109 Cb 1.04 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 41.54 2kb2 h LEU 109 CO -0.52 0.63 0.45 -0.33 0.09 0.00 0.00 178.44 178.76 2kb2 h GLU 110 N 1.07 1.25 -0.16 1.13 5.08 0.33 -2.85 114.58 120.43 2kb2 h GLU 110 Ca 0.35 -0.17 0.04 0.00 -1.00 0.00 0.00 59.36 58.58 2kb2 h GLU 110 Cb 0.03 -0.23 -0.07 0.00 0.50 0.00 0.00 28.75 28.98 2kb2 h GLU 110 CO -0.13 0.93 -0.51 0.93 -1.00 0.00 0.00 179.01 179.24 2kb2 h GLU 111 N 1.24 -0.52 -0.45 2.33 3.07 -0.32 0.25 114.58 120.18 2kb2 h GLU 111 Ca 0.31 0.04 0.06 0.00 -0.50 0.00 0.00 59.36 59.26 2kb2 h GLU 111 Cb 0.08 0.12 -0.09 0.00 -0.84 0.00 0.00 28.75 28.02 2kb2 h GLU 111 CO -0.04 -0.35 -0.52 0.82 -1.40 0.00 0.00 179.01 177.52 2kb2 h ILE 112 N -0.54 0.03 -0.99 3.13 5.03 -1.29 0.20 117.51 123.08 2kb2 h ILE 112 Ca 0.05 0.00 0.14 0.00 -0.12 0.00 0.00 64.86 64.93 2kb2 h ILE 112 Cb 0.66 0.03 -0.09 0.00 -3.03 0.00 0.00 36.82 34.39 2kb2 h ILE 112 CO -0.45 0.00 0.62 -0.07 -0.68 0.00 0.00 178.15 177.57 2kb2 h LEU 113 N -0.35 0.87 -1.32 1.44 4.07 -1.18 0.28 115.31 119.13 2kb2 h LEU 113 Ca 0.10 0.06 0.09 0.00 0.08 0.00 0.00 57.88 58.21 2kb2 h LEU 113 Cb 0.59 -0.11 -0.05 0.00 1.08 0.00 0.00 40.66 42.16 2kb2 h LEU 113 CO -0.62 0.43 0.52 0.03 -1.08 0.00 0.00 178.44 177.73 2kb2 h ARG 114 N 0.92 0.75 -0.07 1.13 2.47 0.16 -2.61 114.38 117.13 2kb2 h ARG 114 Ca 0.51 -0.05 0.00 0.00 -1.26 0.00 0.00 59.98 59.19 2kb2 h ARG 114 Cb 0.58 -0.17 0.00 0.00 -1.65 0.00 0.00 29.97 28.73 2kb2 h ARG 114 CO -0.30 0.50 0.00 1.97 0.56 0.00 0.00 179.97 182.70 2kb2 n PHE 115 N -4.50 0.16 -4.33 3.04 1.16 -0.67 -5.00 117.46 107.31 2kb2 n PHE 115 Ca 0.13 -0.71 -0.25 0.00 -1.87 0.00 0.00 57.45 54.75 2kb2 n PHE 115 Cb 0.30 -0.11 -0.12 0.00 -1.61 0.00 0.00 39.48 37.94 2kb2 n PHE 115 CO 0.00 0.00 0.00 -1.12 -1.87 0.00 0.00 176.76 173.77 2kb2 s SER 116 N -1.75 2.84 -0.39 5.98 0.01 0.91 -4.69 113.70 116.61 2kb2 s SER 116 Ca 0.18 -0.75 0.06 0.00 1.31 0.00 0.00 55.95 56.75 2kb2 s SER 116 Cb 0.15 -0.17 0.43 0.00 0.21 0.00 0.00 66.02 66.64 2kb2 s SER 116 CO 0.04 0.08 1.13 0.35 0.41 0.00 0.00 173.24 175.25 2kb2 n THR 117 N 0.82 2.38 0.00 1.44 -2.24 -1.26 -4.69 114.28 110.73 2kb2 n THR 117 Ca -0.17 -4.67 0.00 0.00 -2.27 0.00 0.00 64.05 56.93 2kb2 n THR 117 Cb 0.54 -1.17 0.00 0.00 -2.10 0.00 0.00 70.33 67.60 2kb2 n THR 117 CO 0.00 0.00 0.00 2.22 -0.57 0.00 0.00 175.07 176.72 2kb2 n PHE 118 N -0.54 0.00 -2.38 4.78 -1.74 -1.08 -4.70 117.46 111.79 2kb2 n PHE 118 Ca 0.40 0.00 -0.02 0.00 -0.56 0.00 0.00 57.45 57.27 2kb2 n PHE 118 Cb 0.76 -0.41 -0.00 0.00 1.52 0.00 0.00 39.48 41.34 2kb2 n PHE 118 CO 0.00 0.00 0.00 0.41 -0.56 0.00 0.00 176.76 176.61 2kb2 n GLY 119 N -1.00 -0.44 0.00 4.97 0.00 -1.26 -4.88 105.19 102.58 2kb2 n GLY 119 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2kb2 n GLY 119 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2kb2 n VAL 120 N -2.30 0.00 0.00 1.61 0.24 -1.26 -5.00 118.33 111.63 2kb2 n VAL 120 Ca 0.01 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.31 2kb2 n VAL 120 Cb 0.44 -1.99 0.00 0.00 -1.47 0.00 0.00 33.84 30.82 2kb2 n VAL 120 CO 0.00 0.00 0.00 0.41 -2.14 0.00 0.00 176.83 175.10 2kb2 n THR 121 N -1.19 0.00 -3.60 3.34 -1.04 -1.26 -4.77 114.28 105.76 2kb2 n THR 121 Ca 0.00 1.28 -0.10 0.00 -2.04 0.00 0.00 64.05 63.19 2kb2 n THR 121 Cb 0.00 -2.05 -0.10 0.00 -1.82 0.00 0.00 70.33 66.36 2kb2 n THR 121 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 2kb2 s GLU 122 N -2.13 0.28 0.50 -2.82 0.41 -1.26 -5.03 118.70 108.65 2kb2 s GLU 122 Ca 0.00 0.85 0.21 0.00 -0.41 0.00 0.00 54.97 55.62 2kb2 s GLU 122 Cb 0.00 0.06 1.27 0.00 -1.78 0.00 0.00 34.13 33.68 2kb2 s GLU 122 CO 0.00 -0.34 2.01 -1.00 -0.49 0.00 0.00 175.26 175.44 2kb2 h PRO 123 N 8.21 0.12 -0.48 0.39 0.13 -1.95 -0.51 132.00 137.91 2kb2 h PRO 123 Ca -0.16 -0.01 -0.06 0.00 -0.87 0.00 0.00 66.00 64.91 2kb2 h PRO 123 Cb 1.12 -0.03 -0.02 0.00 0.13 0.00 0.00 31.00 32.20 2kb2 h PRO 123 CO 0.16 0.08 0.07 -0.39 -0.23 0.00 0.00 178.00 177.68 2kb2 h VAL 124 N 0.12 1.23 -0.02 1.56 -1.51 -1.97 -1.74 116.25 113.92 2kb2 h VAL 124 Ca 0.23 -0.86 0.00 0.00 -1.23 0.00 0.00 66.70 64.84 2kb2 h VAL 124 Cb 0.75 0.78 0.00 0.00 -2.13 0.00 0.00 31.29 30.70 2kb2 h VAL 124 CO -0.03 0.31 0.00 0.59 -1.23 0.00 0.00 177.57 177.21 2kb2 n ASN 125 N -4.26 1.13 -4.59 4.19 3.02 -0.24 -4.80 115.26 109.71 2kb2 n ASN 125 Ca 0.03 -1.39 -0.42 0.00 -0.03 0.00 0.00 54.58 52.76 2kb2 n ASN 125 Cb 0.25 -0.01 -0.04 0.00 -0.61 0.00 0.00 39.78 39.37 2kb2 n ASN 125 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2kb2 s ASP 126 N -1.97 6.61 0.44 6.41 2.15 -0.66 -4.92 116.67 124.74 2kb2 s ASP 126 Ca 0.40 0.46 0.20 0.00 0.43 0.00 0.00 52.55 54.04 2kb2 s ASP 126 Cb 0.21 -2.43 1.16 0.00 -0.30 0.00 0.00 42.92 41.55 2kb2 s ASP 126 CO 0.34 -0.81 1.87 0.03 -0.17 0.00 0.00 175.17 176.43 2kb2 h ARG 127 N 8.50 0.32 -0.16 4.34 2.47 -1.87 -0.38 114.38 127.60 2kb2 h ARG 127 Ca -0.24 -0.02 -0.01 0.00 -1.26 0.00 0.00 59.98 58.45 2kb2 h ARG 127 Cb 1.09 -0.07 -0.01 0.00 -1.65 0.00 0.00 29.97 29.33 2kb2 h ARG 127 CO 0.95 0.21 0.07 1.98 0.56 0.00 0.00 179.97 183.74 2kb2 h MET 128 N 0.33 0.23 0.00 0.04 1.85 -1.91 -2.53 114.93 112.94 2kb2 h MET 128 Ca 0.45 -0.04 -0.02 0.00 -0.61 0.00 0.00 59.70 59.49 2kb2 h MET 128 Cb 1.25 -0.04 -0.00 0.00 0.43 0.00 0.00 31.60 33.23 2kb2 h MET 128 CO -0.15 0.30 -0.09 0.35 -0.40 0.00 0.00 176.91 176.92 2kb2 h PHE 129 N 0.11 0.00 -0.72 1.39 3.57 -1.31 0.40 116.94 120.37 2kb2 h PHE 129 Ca 0.05 0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.60 2kb2 h PHE 129 Cb 0.15 0.00 -0.05 0.00 2.79 0.00 0.00 35.95 38.84 2kb2 h PHE 129 CO -0.02 0.09 0.44 0.00 -2.23 0.00 0.00 178.31 176.59 2kb2 h ARG 130 N 0.00 0.80 0.02 1.11 2.47 -0.95 -0.04 114.38 117.78 2kb2 h ARG 130 Ca -0.00 -0.05 -0.04 0.00 -1.26 0.00 0.00 59.98 58.63 2kb2 h ARG 130 Cb 0.18 -0.18 0.00 0.00 -1.65 0.00 0.00 29.97 28.32 2kb2 h ARG 130 CO 0.01 0.53 -0.16 -0.07 0.56 0.00 0.00 179.97 180.84 2kb2 h LEU 131 N 0.82 0.10 -0.48 3.04 3.38 -1.34 -3.07 115.31 117.77 2kb2 h LEU 131 Ca 0.31 -0.95 0.06 0.00 0.09 0.00 0.00 57.88 57.39 2kb2 h LEU 131 Cb 0.11 -0.03 -0.09 0.00 0.09 0.00 0.00 40.66 40.74 2kb2 h LEU 131 CO -0.15 1.04 -0.51 0.25 0.09 0.00 0.00 178.44 179.16 2kb2 h LEU 132 N -0.82 -1.72 -1.53 1.67 5.85 -0.76 0.19 115.31 118.18 2kb2 h LEU 132 Ca -0.03 0.24 -0.01 0.00 0.84 0.00 0.00 57.88 58.93 2kb2 h LEU 132 Cb 1.09 0.73 -0.00 0.00 0.37 0.00 0.00 40.66 42.84 2kb2 h LEU 132 CO 0.03 -0.38 -0.05 -1.28 -0.34 0.00 0.00 178.44 176.42 2kb2 h SER 133 N -0.33 0.00 0.53 1.25 0.87 -1.17 -0.50 113.55 114.20 2kb2 h SER 133 Ca 0.11 0.00 -0.17 0.00 -1.23 0.00 0.00 61.79 60.51 2kb2 h SER 133 Cb 0.58 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.53 2kb2 h SER 133 CO -0.63 0.05 -0.73 0.00 -0.53 0.00 0.00 176.83 174.99 2kb2 h ALA 134 N 1.95 0.72 0.17 6.23 0.00 -0.65 0.21 119.26 127.88 2kb2 h ALA 134 Ca -0.00 -0.64 -0.31 0.00 0.00 0.00 0.00 54.91 53.96 2kb2 h ALA 134 Cb 0.51 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.22 2kb2 h ALA 134 CO 0.01 0.84 -1.46 0.35 0.00 0.00 0.00 179.25 178.98 2kb2 h PHE 135 N 0.11 0.64 -0.26 0.00 3.57 -0.42 0.19 116.94 120.78 2kb2 h PHE 135 Ca -0.02 -0.47 -0.07 0.00 3.53 0.00 0.00 57.97 60.94 2kb2 h PHE 135 Cb 1.29 -0.03 -0.01 0.00 2.79 0.00 0.00 35.95 39.99 2kb2 h PHE 135 CO 0.02 1.44 -0.16 0.82 -2.23 0.00 0.00 178.31 178.20 2kb2 h ILE 136 N 0.10 1.23 0.00 1.41 5.03 -1.06 0.21 117.51 124.43 2kb2 h ILE 136 Ca -0.23 -1.04 -0.03 0.00 -0.12 0.00 0.00 64.86 63.44 2kb2 h ILE 136 Cb 2.06 1.21 -0.00 0.00 -3.03 0.00 0.00 36.82 37.05 2kb2 h ILE 136 CO 0.21 0.33 -0.45 0.00 -0.68 0.00 0.00 178.15 177.56 2kb2 h ALA 137 N 1.43 0.03 0.03 1.87 0.00 -0.62 -3.31 119.26 118.69 2kb2 h ALA 137 Ca 0.07 -0.47 -0.37 0.00 0.00 0.00 0.00 54.91 54.15 2kb2 h ALA 137 Cb 0.51 0.39 -0.06 0.00 0.00 0.00 0.00 17.79 18.63 2kb2 h ALA 137 CO 0.03 0.38 -2.26 -0.25 0.00 0.00 0.00 179.25 177.16 2kb2 n ASP 138 N -4.63 1.41 -4.22 0.00 9.92 0.62 -4.96 116.55 114.68 2kb2 n ASP 138 Ca -0.09 0.04 -0.31 0.00 -0.53 0.00 0.00 54.79 53.90 2kb2 n ASP 138 Cb 0.26 -0.14 -0.07 0.00 -0.64 0.00 0.00 41.12 40.54 2kb2 n ASP 138 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2kb2 n GLY 139 N 1.99 -0.21 0.00 0.44 0.00 0.75 -4.66 105.19 103.50 2kb2 n GLY 139 Ca -0.36 0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.81 2kb2 n GLY 139 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2kb2 n GLY 140 N -2.15 2.91 2.77 -0.02 0.00 -1.26 -4.93 105.19 102.52 2kb2 n GLY 140 Ca -0.24 -1.01 -0.17 0.00 0.00 0.00 0.00 46.02 44.60 2kb2 n GLY 140 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2kb2 s ARG 141 N -4.04 0.28 1.22 1.61 1.81 -1.26 -5.15 118.95 113.42 2kb2 s ARG 141 Ca 0.00 0.05 -0.14 0.00 -1.72 0.00 0.00 55.73 53.92 2kb2 s ARG 141 Cb 0.00 -0.83 0.31 0.00 -0.45 0.00 0.00 34.95 33.99 2kb2 s ARG 141 CO 0.00 -0.86 1.00 1.52 -0.68 0.00 0.00 175.30 176.29 2kb2 s TYR 142 N 2.37 1.07 0.10 -0.53 -0.85 -1.26 -4.94 117.35 113.31 2kb2 s TYR 142 Ca 0.09 1.10 -0.31 0.00 -0.52 0.00 0.00 57.07 57.43 2kb2 s TYR 142 Cb -0.15 -3.05 -0.13 0.00 0.38 0.00 0.00 41.96 39.02 2kb2 s TYR 142 CO -0.24 -4.16 1.61 0.00 -1.52 0.00 0.00 175.55 171.24 2kb2 n LEU 144 N -5.46 0.83 -4.75 0.00 7.99 -1.26 -4.96 117.00 109.38 2kb2 n LEU 144 Ca -0.09 1.05 -0.29 0.00 -0.01 0.00 0.00 56.01 56.67 2kb2 n LEU 144 Cb 0.36 -1.19 0.18 0.00 -0.11 0.00 0.00 43.42 42.66 2kb2 n LEU 144 CO 0.27 -2.17 0.72 -2.16 -1.51 0.00 0.00 177.39 172.54 2kb2 s PRO 145 N -1.55 0.33 -0.42 3.23 0.04 -1.26 -5.06 135.00 130.30 2kb2 s PRO 145 Ca 0.62 0.07 0.06 0.00 0.04 0.00 0.00 61.00 61.79 2kb2 s PRO 145 Cb -0.68 -1.77 0.22 0.00 0.04 0.00 0.00 34.50 32.31 2kb2 s PRO 145 CO 0.58 -2.70 0.53 -1.91 0.04 0.00 0.00 177.00 173.55 2kb2 n GLU 146 N -4.07 0.53 -2.55 4.56 2.13 -1.26 -5.08 120.64 114.89 2kb2 n GLU 146 Ca 0.10 -2.87 -0.41 0.00 0.66 0.00 0.00 57.16 54.64 2kb2 n GLU 146 Cb 0.59 -1.43 -0.03 0.00 0.27 0.00 0.00 31.44 30.85 2kb2 n GLU 146 CO 0.00 0.00 0.00 -1.25 -0.41 0.00 0.00 177.13 175.47 2kb2 s PRO 147 N -0.29 3.48 0.00 5.31 0.05 -1.26 -5.28 135.00 137.01 2kb2 s PRO 147 Ca 0.33 -0.90 0.00 0.00 0.05 0.00 0.00 61.00 60.49 2kb2 s PRO 147 Cb 0.12 -5.07 0.00 0.00 0.05 0.00 0.00 34.50 29.60 2kb2 s PRO 147 CO -0.15 -2.20 0.03 -0.11 0.05 0.00 0.00 177.00 174.61