#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kb2 n GLU 2 N 0.00 1.45 -2.30 1.61 0.28 -1.26 -4.99 120.64 115.42 2kb2 n GLU 2 Ca 0.00 0.00 -0.34 0.00 -0.16 0.00 0.00 57.16 56.66 2kb2 n GLU 2 Cb 0.00 0.00 -0.04 0.00 1.43 0.00 0.00 31.44 32.83 2kb2 n GLU 2 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 177.13 177.09 2kb2 s PHE 3 N 1.19 2.16 0.29 -1.84 2.19 -1.26 -4.94 117.98 115.76 2kb2 s PHE 3 Ca 0.00 -0.08 0.11 0.00 0.33 0.00 0.00 56.93 57.29 2kb2 s PHE 3 Cb 0.00 -4.37 -0.05 0.00 -1.31 0.00 0.00 43.02 37.29 2kb2 s PHE 3 CO 0.00 -1.86 -0.14 -1.64 1.83 0.00 0.00 175.22 173.41 2kb2 s MET 4 N 6.01 1.84 0.64 10.12 -1.94 -1.26 -5.13 119.30 129.58 2kb2 s MET 4 Ca 0.58 -1.71 -0.04 0.00 -1.71 0.00 0.00 55.69 52.80 2kb2 s MET 4 Cb -0.04 -1.85 0.04 0.00 2.01 0.00 0.00 34.83 34.99 2kb2 s MET 4 CO -0.04 0.31 0.92 -1.17 -0.01 0.00 0.00 175.02 175.03 2kb2 s LEU 5 N -3.56 3.02 0.08 -0.03 2.96 -0.80 -4.10 118.68 116.25 2kb2 s LEU 5 Ca 0.31 0.36 -0.24 0.00 -0.22 0.00 0.00 54.13 54.34 2kb2 s LEU 5 Cb -0.04 -3.11 0.06 0.00 0.50 0.00 0.00 46.19 43.60 2kb2 s LEU 5 CO 0.16 -1.37 0.57 -0.89 -1.32 0.00 0.00 176.35 173.50 2kb2 s THR 6 N -3.06 0.02 -0.44 3.68 2.01 0.20 0.11 115.64 118.17 2kb2 s THR 6 Ca 0.58 -0.14 0.04 0.00 0.31 0.00 0.00 61.69 62.47 2kb2 s THR 6 Cb -0.11 -1.00 0.12 0.00 0.01 0.00 0.00 72.50 71.52 2kb2 s THR 6 CO 0.43 -0.08 0.18 -0.89 -0.69 0.00 0.00 174.62 173.57 2kb2 s THR 7 N -2.81 2.26 -0.04 -0.82 2.01 0.17 0.14 115.64 116.54 2kb2 s THR 7 Ca -0.03 -2.81 -0.19 0.00 0.31 0.00 0.00 61.69 58.96 2kb2 s THR 7 Cb -0.00 -2.61 -0.05 0.00 0.01 0.00 0.00 72.50 69.85 2kb2 s THR 7 CO -0.05 -0.74 0.53 -0.22 -0.69 0.00 0.00 174.62 173.46 2kb2 s LEU 8 N 0.27 4.38 0.12 4.42 0.20 0.14 -2.19 118.68 126.02 2kb2 s LEU 8 Ca 0.15 1.02 0.07 0.00 0.69 0.00 0.00 54.13 56.06 2kb2 s LEU 8 Cb -0.23 -2.80 -0.04 0.00 -0.43 0.00 0.00 46.19 42.69 2kb2 s LEU 8 CO -0.04 0.10 -0.18 -0.63 -0.29 0.00 0.00 176.35 175.31 2kb2 s ILE 9 N -0.04 1.58 0.26 6.68 1.01 0.57 -0.15 121.20 131.11 2kb2 s ILE 9 Ca 0.28 -1.63 -0.19 0.00 0.00 0.00 0.00 60.65 59.11 2kb2 s ILE 9 Cb -0.17 -1.55 0.02 0.00 0.01 0.00 0.00 42.46 40.77 2kb2 s ILE 9 CO 0.14 -0.21 0.65 -0.72 0.00 0.00 0.00 174.94 174.80 2kb2 s TYR 10 N -1.57 -0.10 -0.12 3.97 -0.85 -0.91 0.88 117.35 118.66 2kb2 s TYR 10 Ca 0.08 -0.31 -0.07 0.00 -0.52 0.00 0.00 57.07 56.25 2kb2 s TYR 10 Cb -0.08 0.57 0.05 0.00 0.38 0.00 0.00 41.96 42.87 2kb2 s TYR 10 CO 0.04 -1.13 0.28 -0.98 -1.52 0.00 0.00 175.55 172.24 2kb2 s ARG 11 N -3.92 0.26 0.00 -3.49 1.70 -0.77 -0.97 118.95 111.76 2kb2 s ARG 11 Ca 0.12 0.55 0.00 0.00 -0.47 0.00 0.00 55.73 55.93 2kb2 s ARG 11 Cb -0.04 -0.06 0.00 0.00 -0.57 0.00 0.00 34.95 34.28 2kb2 s ARG 11 CO 0.05 -0.14 0.00 -1.13 -1.08 0.00 0.00 175.30 173.00 2kb2 n SER 12 N 4.01 1.07 0.00 -2.89 3.41 -0.31 -1.26 113.62 117.65 2kb2 n SER 12 Ca -0.23 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.38 2kb2 n SER 12 Cb 0.54 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.49 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 1.04 -2.83 4.33 6.02 -1.26 -2.21 117.38 122.47 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 -3.14 5.09 3.14 0.35 -3.89 118.33 119.88 2kb2 n VAL 14 Ca 0.00 -0.25 -0.45 0.00 -2.96 0.00 0.00 64.34 60.68 2kb2 n VAL 14 Cb 0.00 0.40 -0.03 0.00 -1.06 0.00 0.00 33.84 33.14 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 -3.52 3.24 0.22 1.45 3.76 -1.22 -4.78 115.29 114.44 2kb2 s HIS 15 Ca 0.14 -1.35 0.23 0.00 -0.15 0.00 0.00 55.06 53.93 2kb2 s HIS 15 Cb -0.01 -4.01 1.27 0.00 1.11 0.00 0.00 32.58 30.93 2kb2 s HIS 15 CO 0.02 -1.25 1.68 -1.00 -0.85 0.00 0.00 174.74 173.34 2kb2 h PRO 16 N 8.73 0.00 0.06 8.40 0.13 -1.93 0.49 132.00 147.88 2kb2 h PRO 16 Ca -0.09 0.00 -0.33 0.00 -0.87 0.00 0.00 66.00 64.71 2kb2 h PRO 16 Cb 1.06 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.16 2kb2 h PRO 16 CO 1.01 0.00 -1.90 -3.47 -0.23 0.00 0.00 178.00 173.41 2kb2 n ASP 17 N -2.45 1.47 -4.66 1.44 -0.08 -1.26 -4.95 116.55 106.06 2kb2 n ASP 17 Ca -0.02 0.28 -0.29 0.00 -1.51 0.00 0.00 54.79 53.26 2kb2 n ASP 17 Cb 0.24 -0.41 0.13 0.00 2.34 0.00 0.00 41.12 43.41 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 -2.57 1.40 0.95 -0.67 1.70 0.16 -5.08 118.95 114.84 2kb2 s ARG 18 Ca -0.14 0.01 -0.14 0.00 -0.47 0.00 0.00 55.73 54.99 2kb2 s ARG 18 Cb 0.07 -1.90 0.21 0.00 -0.57 0.00 0.00 34.95 32.76 2kb2 s ARG 18 CO 0.79 -1.96 1.29 -1.25 -1.08 0.00 0.00 175.30 173.09 2kb2 s PRO 19 N -5.60 0.60 0.97 3.89 0.05 -1.26 -4.90 135.00 128.76 2kb2 s PRO 19 Ca 0.65 -0.62 -0.14 0.00 0.05 0.00 0.00 61.00 60.95 2kb2 s PRO 19 Cb -0.10 -1.91 0.02 0.00 0.05 0.00 0.00 34.50 32.57 2kb2 s PRO 19 CO 0.51 -2.39 0.23 -2.30 0.05 0.00 0.00 177.00 173.10 2kb2 n PRO 20 N -3.69 -0.41 -3.21 0.56 -0.02 -1.26 -4.96 135.00 122.02 2kb2 n PRO 20 Ca 0.16 -0.09 -0.29 0.00 -2.02 0.00 0.00 63.50 61.27 2kb2 n PRO 20 Cb 0.59 -1.75 -0.03 0.00 -0.02 0.00 0.00 33.50 32.29 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 -2.34 4.95 -1.12 -1.45 1.01 -1.26 -4.97 120.40 115.23 2kb2 s VAL 21 Ca 0.55 0.23 -0.07 0.00 0.00 0.00 0.00 61.98 62.69 2kb2 s VAL 21 Cb -0.19 -3.73 -0.03 0.00 0.00 0.00 0.00 36.38 32.43 2kb2 s VAL 21 CO 0.69 -0.36 2.86 0.47 0.00 0.00 0.00 175.10 178.76 2kb2 n ASP 22 N -1.00 7.68 0.00 3.32 8.00 -1.26 -4.72 116.55 128.57 2kb2 n ASP 22 Ca -0.00 -2.82 0.00 0.00 0.71 0.00 0.00 54.79 52.67 2kb2 n ASP 22 Cb 0.54 -1.43 0.00 0.00 -0.02 0.00 0.00 41.12 40.21 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 2.46 0.00 -0.12 0.64 4.77 -1.26 0.16 117.00 123.65 2kb2 n LEU 23 Ca 0.64 0.00 -0.19 0.00 -0.03 0.00 0.00 56.01 56.43 2kb2 n LEU 23 Cb 0.39 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.38 2kb2 n LEU 23 CO 0.62 0.00 -1.27 -0.67 -1.33 0.00 0.00 177.39 174.74 2kb2 n ASP 24 N -0.68 2.06 0.10 -1.43 2.03 -1.26 -4.22 116.55 113.14 2kb2 n ASP 24 Ca 0.00 0.02 0.03 0.00 0.52 0.00 0.00 54.79 55.36 2kb2 n ASP 24 Cb 0.00 -0.48 -0.01 0.00 -0.72 0.00 0.00 41.12 39.91 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 -0.30 0.66 -0.38 -1.67 0.00 -0.37 -2.82 119.26 114.38 2kb2 h ALA 25 Ca -0.54 -0.54 -0.16 0.00 0.00 0.00 0.00 54.91 53.67 2kb2 h ALA 25 Cb 1.69 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.55 2kb2 h ALA 25 CO -0.18 0.65 -0.38 1.25 0.00 0.00 0.00 179.25 180.59 2kb2 h LEU 26 N 0.00 0.98 0.13 0.00 6.46 0.13 -2.84 115.31 120.17 2kb2 h LEU 26 Ca -0.07 -0.45 -0.32 0.00 -0.12 0.00 0.00 57.88 56.93 2kb2 h LEU 26 Cb 1.41 -0.28 -0.01 0.00 -0.73 0.00 0.00 40.66 41.05 2kb2 h LEU 26 CO 0.05 1.24 -1.61 1.62 -0.62 0.00 0.00 178.44 179.13 2kb2 h VAL 27 N 0.76 1.07 0.24 1.05 3.04 -1.73 -3.29 116.25 117.38 2kb2 h VAL 27 Ca 0.06 -2.71 0.01 0.00 -1.01 0.00 0.00 66.70 63.05 2kb2 h VAL 27 Cb 0.97 2.73 -0.04 0.00 -2.01 0.00 0.00 31.29 32.95 2kb2 h VAL 27 CO 0.09 0.82 -0.41 -0.74 -1.01 0.00 0.00 177.57 176.32 2kb2 h HIS 28 N 0.07 -1.15 0.00 3.17 -0.00 -1.52 0.93 115.15 116.65 2kb2 h HIS 28 Ca -0.27 0.02 -0.00 0.00 -0.00 0.00 0.00 60.37 60.11 2kb2 h HIS 28 Cb 2.03 0.47 -0.00 0.00 -0.00 0.00 0.00 27.41 29.92 2kb2 h HIS 28 CO 0.07 -0.53 -0.01 0.00 -0.00 0.00 0.00 177.93 177.45 2kb2 h ARG 29 N -0.73 0.00 0.08 5.26 -0.00 -1.67 -2.54 114.38 114.78 2kb2 h ARG 29 Ca -0.00 0.00 -0.00 0.00 -0.50 0.00 0.00 59.98 59.47 2kb2 h ARG 29 Cb 0.70 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.67 2kb2 h ARG 29 CO -0.17 0.01 -0.04 0.00 0.00 0.00 0.00 179.97 179.78 2kb2 h ALA 30 N 1.99 -0.13 -1.05 0.04 0.00 -1.26 -3.22 119.26 115.63 2kb2 h ALA 30 Ca -0.00 -0.02 0.28 0.00 0.00 0.00 0.00 54.91 55.16 2kb2 h ALA 30 Cb 0.06 0.04 -0.09 0.00 0.00 0.00 0.00 17.79 17.80 2kb2 h ALA 30 CO 0.00 -0.12 0.68 1.03 0.00 0.00 0.00 179.25 180.85 2kb2 h SER 31 N -0.84 0.41 -0.32 0.00 0.87 -0.81 0.43 113.55 113.29 2kb2 h SER 31 Ca -0.01 0.08 -0.03 0.00 -1.23 0.00 0.00 61.79 60.60 2kb2 h SER 31 Cb 0.08 0.02 -0.02 0.00 -0.44 0.00 0.00 62.40 62.04 2kb2 h SER 31 CO 0.02 0.07 0.13 0.77 -0.53 0.00 0.00 176.83 177.29 2kb2 h SER 32 N 0.36 0.50 0.25 6.23 4.64 -1.57 0.34 113.55 124.30 2kb2 h SER 32 Ca 0.60 -0.06 -0.34 0.00 -0.47 0.00 0.00 61.79 61.52 2kb2 h SER 32 Cb 1.58 -0.13 0.00 0.00 -0.31 0.00 0.00 62.40 63.55 2kb2 h SER 32 CO -0.28 0.47 -1.73 0.50 -0.87 0.00 0.00 176.83 174.92 2kb2 h LYS 33 N 0.55 0.34 0.00 4.77 3.64 -0.25 -3.36 116.57 122.25 2kb2 h LYS 33 Ca 0.13 -0.58 -0.07 0.00 -1.27 0.00 0.00 60.65 58.87 2kb2 h LYS 33 Cb 0.15 0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 32.17 2kb2 h LYS 33 CO -0.01 1.24 -0.34 -0.91 -2.27 0.00 0.00 179.45 177.16 2kb2 h ASN 34 N 0.09 0.00 0.35 4.20 4.21 -0.85 -3.07 115.58 120.52 2kb2 h ASN 34 Ca -0.33 0.00 -0.02 0.00 1.21 0.00 0.00 56.30 57.16 2kb2 h ASN 34 Cb 2.07 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 39.28 2kb2 h ASN 34 CO 0.16 0.34 -0.17 -0.07 -1.29 0.00 0.00 177.43 176.40 2kb2 h LEU 35 N 0.00 -0.40 -2.16 1.61 3.38 -0.46 0.36 115.31 117.65 2kb2 h LEU 35 Ca -0.00 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 2kb2 h LEU 35 Cb 1.04 0.10 -0.00 0.00 0.09 0.00 0.00 40.66 41.90 2kb2 h LEU 35 CO 0.04 -0.26 -0.07 1.55 0.09 0.00 0.00 178.44 179.79 2kb2 h PRO 36 N -0.50 0.00 0.00 1.13 0.13 -1.73 -1.50 132.00 129.53 2kb2 h PRO 36 Ca -0.05 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 65.04 2kb2 h PRO 36 Cb 0.36 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.48 2kb2 h PRO 36 CO 0.08 0.07 -0.22 -0.07 -0.23 0.00 0.00 178.00 177.62 2kb2 h LEU 37 N 0.00 0.00 0.00 1.56 4.07 -1.42 -3.46 115.31 116.06 2kb2 h LEU 37 Ca -0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 2kb2 h LEU 37 Cb 0.17 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.91 2kb2 h LEU 37 CO 0.01 0.22 0.00 0.61 -1.08 0.00 0.00 178.44 178.20 2kb2 n GLY 38 N 0.07 0.76 3.77 0.83 0.00 -0.56 -4.93 105.19 105.13 2kb2 n GLY 38 Ca -0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.62 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 -2.20 4.49 0.21 -0.61 1.01 0.12 -4.56 121.20 119.67 2kb2 s ILE 39 Ca 0.00 1.65 0.10 0.00 0.00 0.00 0.00 60.65 62.40 2kb2 s ILE 39 Cb 0.00 -4.12 -0.05 0.00 0.01 0.00 0.00 42.46 38.31 2kb2 s ILE 39 CO 0.00 0.48 -0.19 0.42 0.00 0.00 0.00 174.94 175.66 2kb2 s THR 40 N -0.85 2.07 -3.96 2.92 -4.23 -1.03 -4.12 115.64 106.45 2kb2 s THR 40 Ca 0.36 -2.16 0.00 0.00 -1.18 0.00 0.00 61.69 58.71 2kb2 s THR 40 Cb -0.22 -2.07 0.00 0.00 1.34 0.00 0.00 72.50 71.54 2kb2 s THR 40 CO 0.25 -0.38 0.00 0.61 -0.54 0.00 0.00 174.62 174.55 2kb2 n GLY 41 N -0.16 -1.33 3.35 3.99 0.00 -0.54 0.84 105.19 111.35 2kb2 n GLY 41 Ca -0.09 -1.14 -0.15 0.00 0.00 0.00 0.00 46.02 44.64 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 -3.00 0.03 0.31 -0.61 2.07 -0.67 -3.61 121.20 115.72 2kb2 s ILE 42 Ca 0.00 -0.27 0.09 0.00 -1.41 0.00 0.00 60.65 59.06 2kb2 s ILE 42 Cb 0.00 -0.76 -0.05 0.00 0.13 0.00 0.00 42.46 41.78 2kb2 s ILE 42 CO 0.00 -0.15 -0.01 -0.76 -1.91 0.00 0.00 174.94 172.12 2kb2 s LEU 43 N -1.19 3.03 0.03 8.50 1.43 -0.14 -0.70 118.68 129.64 2kb2 s LEU 43 Ca -0.12 -0.87 -0.05 0.00 -1.03 0.00 0.00 54.13 52.06 2kb2 s LEU 43 Cb -0.03 -1.47 -0.01 0.00 0.03 0.00 0.00 46.19 44.70 2kb2 s LEU 43 CO 0.06 -0.14 0.09 -0.76 0.23 0.00 0.00 176.35 175.83 2kb2 s LEU 44 N -3.69 1.81 -0.14 1.79 1.02 0.18 0.77 118.68 120.42 2kb2 s LEU 44 Ca 0.33 -0.46 -0.09 0.00 0.02 0.00 0.00 54.13 53.94 2kb2 s LEU 44 Cb -0.03 0.54 0.05 0.00 0.02 0.00 0.00 46.19 46.77 2kb2 s LEU 44 CO 0.19 -0.45 0.34 0.12 0.02 0.00 0.00 176.35 176.58 2kb2 s PHE 45 N -2.17 -0.46 -0.14 0.29 5.36 -0.53 -1.82 117.98 118.51 2kb2 s PHE 45 Ca -0.09 1.04 0.01 0.00 -0.96 0.00 0.00 56.93 56.94 2kb2 s PHE 45 Cb -0.04 0.17 0.03 0.00 -0.34 0.00 0.00 43.02 42.83 2kb2 s PHE 45 CO -0.03 -0.27 0.81 0.27 -1.46 0.00 0.00 175.22 174.55 2kb2 n ASN 46 N 3.89 1.67 0.00 6.13 0.23 -1.16 0.13 115.26 126.15 2kb2 n ASN 46 Ca -0.21 -1.58 0.00 0.00 -0.53 0.00 0.00 54.58 52.26 2kb2 n ASN 46 Cb 0.55 -0.02 0.00 0.00 -2.08 0.00 0.00 39.78 38.24 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 -0.17 0.65 0.00 4.83 0.00 -1.26 -4.61 105.19 104.62 2kb2 n GLY 47 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 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 -4.96 117.00 107.19 2kb2 n LEU 48 Ca 0.00 0.00 -0.24 0.00 -0.00 0.00 0.00 56.01 55.77 2kb2 n LEU 48 Cb 0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 43.42 43.33 2kb2 n LEU 48 CO 0.00 0.00 -0.36 -1.10 -0.00 0.00 0.00 177.39 175.93 2kb2 s GLN 49 N -1.00 2.01 -0.24 1.96 -0.21 -1.26 -0.50 119.66 120.43 2kb2 s GLN 49 Ca 0.00 -1.69 0.00 0.00 0.02 0.00 0.00 55.36 53.70 2kb2 s GLN 49 Cb 0.00 -1.93 0.06 0.00 1.00 0.00 0.00 33.01 32.14 2kb2 s GLN 49 CO 0.00 0.24 -0.04 -0.06 -2.12 0.00 0.00 175.29 173.31 2kb2 s PHE 50 N -2.48 2.30 -0.10 0.91 0.08 -0.94 -2.98 117.98 114.77 2kb2 s PHE 50 Ca 0.33 -1.72 -0.10 0.00 0.12 0.00 0.00 56.93 55.55 2kb2 s PHE 50 Cb -0.03 -1.58 -0.05 0.00 -0.57 0.00 0.00 43.02 40.80 2kb2 s PHE 50 CO 0.18 -0.77 0.22 0.12 -0.10 0.00 0.00 175.22 174.87 2kb2 s PHE 51 N 1.43 3.60 -0.04 0.36 5.36 -0.76 -1.16 117.98 126.78 2kb2 s PHE 51 Ca -0.04 0.63 -0.02 0.00 -0.96 0.00 0.00 56.93 56.54 2kb2 s PHE 51 Cb -0.19 -2.09 0.03 0.00 -0.34 0.00 0.00 43.02 40.43 2kb2 s PHE 51 CO -0.07 0.62 0.05 -1.14 -1.46 0.00 0.00 175.22 173.22 2kb2 s GLN 52 N -0.75 -0.03 -0.65 10.12 0.74 -0.15 0.48 119.66 129.43 2kb2 s GLN 52 Ca 0.17 0.33 -0.19 0.00 0.05 0.00 0.00 55.36 55.71 2kb2 s GLN 52 Cb -0.13 -0.49 0.11 0.00 1.10 0.00 0.00 33.01 33.60 2kb2 s GLN 52 CO 0.06 -0.30 0.80 0.08 -0.55 0.00 0.00 175.29 175.38 2kb2 s VAL 53 N 1.94 4.75 -0.07 1.34 1.01 0.13 -2.13 120.40 127.37 2kb2 s VAL 53 Ca 0.02 -0.99 -0.03 0.00 0.00 0.00 0.00 61.98 60.97 2kb2 s VAL 53 Cb -0.12 -4.55 -0.04 0.00 0.00 0.00 0.00 36.38 31.67 2kb2 s VAL 53 CO -0.03 -1.22 0.09 -0.22 0.00 0.00 0.00 175.10 173.72 2kb2 s LEU 54 N 2.84 4.06 0.21 3.92 2.96 0.79 -1.67 118.68 131.78 2kb2 s LEU 54 Ca 0.16 0.29 0.04 0.00 -0.22 0.00 0.00 54.13 54.40 2kb2 s LEU 54 Cb -0.20 -2.12 -0.05 0.00 0.50 0.00 0.00 46.19 44.31 2kb2 s LEU 54 CO 0.05 0.35 -0.04 -1.61 -1.32 0.00 0.00 176.35 173.78 2kb2 s GLU 55 N -1.28 1.28 0.00 1.98 2.02 0.25 0.26 118.70 123.20 2kb2 s GLU 55 Ca 0.18 -1.62 0.00 0.00 0.02 0.00 0.00 54.97 53.55 2kb2 s GLU 55 Cb -0.12 -0.67 0.00 0.00 0.10 0.00 0.00 34.13 33.44 2kb2 s GLU 55 CO 0.08 -0.03 0.00 0.41 0.02 0.00 0.00 175.26 175.74 2kb2 n GLY 56 N -0.37 1.29 3.65 -1.39 0.00 0.36 -2.47 105.19 106.25 2kb2 n GLY 56 Ca -0.07 -2.17 -0.44 0.00 0.00 0.00 0.00 46.02 43.34 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 -1.32 1.59 -0.06 2.61 -2.24 -1.26 0.62 114.28 114.23 2kb2 n THR 57 Ca 0.00 -0.40 0.24 0.00 -2.27 0.00 0.00 64.05 61.62 2kb2 n THR 57 Cb 0.00 -1.32 0.72 0.00 -2.10 0.00 0.00 70.33 67.63 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 2.95 0.00 -0.11 -0.78 4.81 -1.85 0.25 114.58 119.85 2kb2 h GLU 58 Ca -0.44 0.00 -0.17 0.00 -0.13 0.00 0.00 59.36 58.63 2kb2 h GLU 58 Cb 1.30 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.68 2kb2 h GLU 58 CO 0.66 0.00 -0.64 1.05 -0.73 0.00 0.00 179.01 179.36 2kb2 h GLU 59 N 0.00 0.41 0.07 1.92 4.11 -1.92 -2.11 114.58 117.07 2kb2 h GLU 59 Ca 0.32 -0.30 -0.28 0.00 0.07 0.00 0.00 59.36 59.17 2kb2 h GLU 59 Cb 1.39 0.05 0.03 0.00 0.50 0.00 0.00 28.75 30.72 2kb2 h GLU 59 CO -0.00 0.92 -1.16 0.00 0.07 0.00 0.00 179.01 178.83 2kb2 h ALA 60 N 1.01 0.06 -0.27 1.06 0.00 -0.92 -3.09 119.26 117.11 2kb2 h ALA 60 Ca -0.01 -0.74 -0.02 0.00 0.00 0.00 0.00 54.91 54.13 2kb2 h ALA 60 Cb 1.18 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.05 2kb2 h ALA 60 CO 0.11 0.70 0.08 -0.07 0.00 0.00 0.00 179.25 180.07 2kb2 h LEU 61 N 0.32 0.39 0.47 0.00 3.38 -1.16 -0.91 115.31 117.80 2kb2 h LEU 61 Ca -0.16 -0.20 -0.01 0.00 0.09 0.00 0.00 57.88 57.59 2kb2 h LEU 61 Cb 1.82 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 42.45 2kb2 h LEU 61 CO 0.22 0.49 -0.46 -0.08 0.09 0.00 0.00 178.44 178.70 2kb2 h GLU 62 N 0.27 -0.90 -0.21 1.13 4.81 -1.47 0.20 114.58 118.41 2kb2 h GLU 62 Ca 0.09 0.06 0.04 0.00 -0.13 0.00 0.00 59.36 59.42 2kb2 h GLU 62 Cb 0.24 0.20 -0.04 0.00 0.63 0.00 0.00 28.75 29.79 2kb2 h GLU 62 CO -0.00 -0.60 -0.04 0.77 -0.73 0.00 0.00 179.01 178.41 2kb2 h SER 63 N -0.93 -0.17 0.43 1.04 0.02 -1.56 0.13 113.55 112.51 2kb2 h SER 63 Ca -0.05 0.06 -0.02 0.00 -0.84 0.00 0.00 61.79 60.94 2kb2 h SER 63 Cb 0.82 0.12 -0.00 0.00 0.14 0.00 0.00 62.40 63.47 2kb2 h SER 63 CO -0.06 -0.06 -0.28 0.25 -1.14 0.00 0.00 176.83 175.54 2kb2 h LEU 64 N 0.01 -0.73 -1.63 5.07 7.12 -1.02 0.11 115.31 124.25 2kb2 h LEU 64 Ca 0.10 0.04 0.29 0.00 0.13 0.00 0.00 57.88 58.44 2kb2 h LEU 64 Cb 0.14 0.22 -0.07 0.00 -0.53 0.00 0.00 40.66 40.42 2kb2 h LEU 64 CO -0.20 -0.43 0.72 0.15 -0.13 0.00 0.00 178.44 178.55 2kb2 h PHE 65 N -0.68 0.39 0.00 1.25 3.57 -0.55 0.88 116.94 121.80 2kb2 h PHE 65 Ca -0.06 0.01 -0.13 0.00 3.53 0.00 0.00 57.97 61.32 2kb2 h PHE 65 Cb 0.55 -0.11 -0.02 0.00 2.79 0.00 0.00 35.95 39.16 2kb2 h PHE 65 CO -0.04 0.04 -0.64 1.03 -2.23 0.00 0.00 178.31 176.47 2kb2 h SER 66 N 0.23 0.00 0.52 0.41 0.87 -0.12 -2.54 113.55 112.93 2kb2 h SER 66 Ca 0.56 0.00 -0.11 0.00 -1.23 0.00 0.00 61.79 61.01 2kb2 h SER 66 Cb 1.74 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 63.68 2kb2 h SER 66 CO -0.17 0.64 -0.52 -0.33 -0.53 0.00 0.00 176.83 175.91 2kb2 h GLU 67 N 0.00 0.00 0.42 2.24 4.39 0.33 -3.14 114.58 118.83 2kb2 h GLU 67 Ca -0.01 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.67 2kb2 h GLU 67 Cb 1.23 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.88 2kb2 h GLU 67 CO 0.08 0.52 -0.20 0.82 -1.16 0.00 0.00 179.01 179.07 2kb2 h ILE 68 N 0.00 0.57 0.00 3.13 5.03 -0.72 -2.29 117.51 123.23 2kb2 h ILE 68 Ca -0.01 -0.23 0.00 0.00 -0.12 0.00 0.00 64.86 64.50 2kb2 h ILE 68 Cb 0.92 0.69 0.00 0.00 -3.03 0.00 0.00 36.82 35.40 2kb2 h ILE 68 CO 0.07 0.04 0.00 0.00 -0.68 0.00 0.00 178.15 177.58 2kb2 n GLN 69 N -5.28 0.03 -0.45 2.37 3.00 -1.08 -0.39 117.38 115.59 2kb2 n GLN 69 Ca -0.11 0.49 0.08 0.00 -0.01 0.00 0.00 57.00 57.45 2kb2 n GLN 69 Cb 0.27 -1.60 0.27 0.00 0.00 0.00 0.00 30.24 29.18 2kb2 n GLN 69 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.06 177.49 2kb2 n SER 70 N -1.67 3.67 -4.93 1.08 7.64 -0.87 -4.93 113.62 113.61 2kb2 n SER 70 Ca 0.00 -2.28 -0.28 0.00 1.01 0.00 0.00 58.87 57.32 2kb2 n SER 70 Cb 0.04 -0.48 -0.03 0.00 -1.01 0.00 0.00 64.21 62.72 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 -0.84 6.37 -0.03 6.43 1.11 0.48 -5.04 116.67 125.14 2kb2 s ASP 71 Ca 0.39 0.28 0.05 0.00 0.18 0.00 0.00 52.55 53.45 2kb2 s ASP 71 Cb 0.25 -1.96 -0.25 0.00 1.07 0.00 0.00 42.92 42.03 2kb2 s ASP 71 CO 0.20 0.05 0.70 1.55 1.18 0.00 0.00 175.17 178.86 2kb2 h PRO 72 N 2.34 0.11 0.00 8.23 0.13 -1.91 -3.42 132.00 137.48 2kb2 h PRO 72 Ca -0.47 -0.19 0.00 0.00 -0.87 0.00 0.00 66.00 64.47 2kb2 h PRO 72 Cb 1.18 0.07 0.00 0.00 0.13 0.00 0.00 31.00 32.38 2kb2 h PRO 72 CO 0.70 0.82 0.00 -2.13 -0.23 0.00 0.00 178.00 177.17 2kb2 n ARG 73 N -3.25 0.00 0.00 0.86 0.63 -1.26 -4.72 116.66 108.92 2kb2 n ARG 73 Ca -0.18 0.18 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 2kb2 n ARG 73 Cb 1.04 -0.92 0.00 0.00 0.45 0.00 0.00 32.46 33.03 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 -0.60 -0.55 0.14 -0.14 1.44 -1.26 -3.37 115.22 110.88 2kb2 n HIS 74 Ca 0.00 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.71 2kb2 n HIS 74 Cb 0.00 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.11 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 -1.15 -1.40 1.85 -1.26 -4.64 116.66 110.06 2kb2 n ARG 75 Ca 0.00 0.00 -0.16 0.00 -1.00 0.00 0.00 57.85 56.69 2kb2 n ARG 75 Cb 0.00 0.00 -0.14 0.00 -1.05 0.00 0.00 32.46 31.27 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 -3.16 5.61 -4.72 2.89 2.03 -1.26 -4.82 116.55 113.13 2kb2 n ASP 76 Ca 0.00 -2.70 -0.42 0.00 0.52 0.00 0.00 54.79 52.19 2kb2 n ASP 76 Cb 0.00 -1.36 -0.03 0.00 -0.72 0.00 0.00 41.12 39.01 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 0.02 3.36 -0.00 5.18 0.11 -1.25 -3.98 120.40 123.85 2kb2 s VAL 77 Ca 0.65 0.99 -0.00 0.00 -2.93 0.00 0.00 61.98 60.68 2kb2 s VAL 77 Cb 0.34 -3.63 0.01 0.00 -1.53 0.00 0.00 36.38 31.56 2kb2 s VAL 77 CO -0.07 0.08 0.01 0.54 -3.33 0.00 0.00 175.10 172.33 2kb2 s VAL 78 N 1.04 -0.01 -0.27 2.04 0.11 -0.39 -4.92 120.40 118.00 2kb2 s VAL 78 Ca 0.64 0.04 -0.28 0.00 -2.93 0.00 0.00 61.98 59.44 2kb2 s VAL 78 Cb -0.36 -0.02 -0.03 0.00 -1.53 0.00 0.00 36.38 34.43 2kb2 s VAL 78 CO 0.31 0.02 1.96 -0.70 -3.33 0.00 0.00 175.10 173.36 2kb2 s GLU 79 N 0.21 3.29 -0.06 1.54 2.12 -1.26 -1.84 118.70 122.69 2kb2 s GLU 79 Ca -0.02 1.71 -0.04 0.00 0.36 0.00 0.00 54.97 56.98 2kb2 s GLU 79 Cb -0.02 -4.26 -0.27 0.00 0.26 0.00 0.00 34.13 29.83 2kb2 s GLU 79 CO -0.01 -1.91 0.60 -0.07 -0.54 0.00 0.00 175.26 173.33 2kb2 h LEU 80 N 14.09 0.41 -8.38 2.70 4.07 0.17 -3.47 115.31 124.89 2kb2 h LEU 80 Ca -0.37 -0.73 -0.13 0.00 0.08 0.00 0.00 57.88 56.73 2kb2 h LEU 80 Cb 1.20 -0.13 -0.11 0.00 1.08 0.00 0.00 40.66 42.69 2kb2 h LEU 80 CO 1.00 1.63 -0.30 -0.32 -1.08 0.00 0.00 178.44 179.37 2kb2 s MET 81 N -2.58 1.44 0.00 1.13 1.75 0.00 -4.89 119.30 116.15 2kb2 s MET 81 Ca -0.15 -1.41 0.00 0.00 -1.25 0.00 0.00 55.69 52.87 2kb2 s MET 81 Cb 0.07 0.40 0.00 0.00 2.84 0.00 0.00 34.83 38.13 2kb2 s MET 81 CO 0.82 -0.56 0.00 -2.13 -0.65 0.00 0.00 175.02 172.50 2kb2 n ARG 82 N -0.35 0.00 -4.45 4.11 0.63 -1.02 -0.32 116.66 115.26 2kb2 n ARG 82 Ca -0.00 0.00 -0.23 0.00 -0.92 0.00 0.00 57.85 56.70 2kb2 n ARG 82 Cb 0.63 0.00 -0.13 0.00 0.45 0.00 0.00 32.46 33.41 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 2.10 0.83 6.15 2.15 -0.93 -4.88 116.67 122.09 2kb2 s ASP 83 Ca 0.00 -0.52 -0.11 0.00 0.43 0.00 0.00 52.55 52.34 2kb2 s ASP 83 Cb 0.00 -0.15 0.10 0.00 -0.30 0.00 0.00 42.92 42.57 2kb2 s ASP 83 CO 0.00 0.08 1.14 -0.31 -0.17 0.00 0.00 175.17 175.91 2kb2 s TYR 84 N -0.90 2.00 0.38 -5.34 2.02 -1.26 0.45 117.35 114.69 2kb2 s TYR 84 Ca 0.04 1.69 -0.15 0.00 -0.37 0.00 0.00 57.07 58.28 2kb2 s TYR 84 Cb -0.09 -3.28 0.05 0.00 -0.40 0.00 0.00 41.96 38.25 2kb2 s TYR 84 CO 0.02 -2.45 0.76 -1.12 -1.57 0.00 0.00 175.55 171.19 2kb2 s SER 85 N -2.77 0.06 0.00 2.29 0.01 0.12 -4.72 113.70 108.70 2kb2 s SER 85 Ca 0.66 -1.15 0.00 0.00 1.31 0.00 0.00 55.95 56.78 2kb2 s SER 85 Cb -0.22 0.83 0.00 0.00 0.21 0.00 0.00 66.02 66.84 2kb2 s SER 85 CO 0.55 -1.65 0.31 0.00 0.41 0.00 0.00 173.24 172.86 2kb2 n ALA 86 N -0.53 0.63 -3.37 1.44 0.00 -1.26 -1.91 120.51 115.51 2kb2 n ALA 86 Ca -0.07 -0.31 -0.15 0.00 0.00 0.00 0.00 53.44 52.91 2kb2 n ALA 86 Cb 0.60 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.97 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 0.00 -0.44 -0.36 0.00 1.13 -1.26 -4.94 117.35 111.48 2kb2 s TYR 87 Ca 0.00 0.84 -0.22 0.00 -1.41 0.00 0.00 57.07 56.28 2kb2 s TYR 87 Cb 0.00 0.22 0.01 0.00 -1.10 0.00 0.00 41.96 41.09 2kb2 s TYR 87 CO 0.00 -0.43 0.73 1.03 -2.51 0.00 0.00 175.55 174.37 2kb2 s ARG 88 N -0.85 3.73 -0.07 -3.49 0.52 -1.26 -4.96 118.95 112.57 2kb2 s ARG 88 Ca -0.09 0.22 -0.21 0.00 -0.52 0.00 0.00 55.73 55.13 2kb2 s ARG 88 Cb -0.03 -3.81 -0.17 0.00 0.52 0.00 0.00 34.95 31.47 2kb2 s ARG 88 CO 0.05 -0.80 0.80 0.00 0.02 0.00 0.00 175.30 175.36 2kb2 h ARG 89 N 8.46 -0.13 -2.00 3.54 -0.00 -1.98 -3.29 114.38 118.98 2kb2 h ARG 89 Ca -0.25 0.01 -0.04 0.00 -0.50 0.00 0.00 59.98 59.19 2kb2 h ARG 89 Cb 1.10 0.03 -0.02 0.00 0.00 0.00 0.00 29.97 31.08 2kb2 h ARG 89 CO 0.88 0.38 -0.09 1.19 0.00 0.00 0.00 179.97 182.34 2kb2 n PHE 90 N -4.84 0.01 -1.68 3.04 3.72 -1.25 -4.57 117.46 111.88 2kb2 n PHE 90 Ca -0.07 -1.12 -0.45 0.00 -0.05 0.00 0.00 57.45 55.76 2kb2 n PHE 90 Cb 0.28 -0.75 -0.04 0.00 -0.94 0.00 0.00 39.48 38.03 2kb2 n PHE 90 CO 0.00 0.00 0.00 1.58 -0.05 0.00 0.00 176.76 178.29 2kb2 n HIS 91 N 1.73 2.46 0.00 1.38 -0.00 -1.24 -0.96 115.22 118.58 2kb2 n HIS 91 Ca 0.10 -0.05 0.00 0.00 -0.00 0.00 0.00 57.72 57.77 2kb2 n HIS 91 Cb 0.60 -2.68 0.00 0.00 -0.00 0.00 0.00 29.99 27.90 2kb2 n HIS 91 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 2kb2 n GLY 92 N 4.16 3.16 2.81 1.57 0.00 -1.26 -4.98 105.19 110.65 2kb2 n GLY 92 Ca 0.19 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.93 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 -2.82 2.17 0.35 2.61 2.01 -0.14 -4.96 115.64 114.87 2kb2 s THR 93 Ca 0.00 -3.43 0.09 0.00 0.31 0.00 0.00 61.69 58.66 2kb2 s THR 93 Cb 0.00 -2.47 0.32 0.00 0.01 0.00 0.00 72.50 70.36 2kb2 s THR 93 CO 0.00 -0.95 1.87 1.23 -0.69 0.00 0.00 174.62 176.08 2kb2 h GLY 94 N 6.04 1.19 -5.35 4.40 0.00 -1.79 -3.12 103.07 104.45 2kb2 h GLY 94 Ca 0.06 -0.30 0.04 0.00 0.00 0.00 0.00 47.33 47.13 2kb2 h GLY 94 CO 0.61 0.10 0.28 -0.29 0.00 0.00 0.00 176.54 177.25 2kb2 s MET 95 N -5.68 0.59 -0.26 4.80 1.75 -1.24 -1.46 119.30 117.80 2kb2 s MET 95 Ca -0.10 0.82 -0.01 0.00 -1.25 0.00 0.00 55.69 55.15 2kb2 s MET 95 Cb 0.22 0.23 0.14 0.00 2.84 0.00 0.00 34.83 38.25 2kb2 s MET 95 CO 0.79 -0.09 0.35 0.50 -0.65 0.00 0.00 175.02 175.92 2kb2 s ARG 96 N 0.75 0.34 0.87 4.11 3.52 -1.24 -4.49 118.95 122.83 2kb2 s ARG 96 Ca -0.03 0.26 -0.10 0.00 -0.13 0.00 0.00 55.73 55.73 2kb2 s ARG 96 Cb -0.05 -0.54 0.12 0.00 -1.56 0.00 0.00 34.95 32.92 2kb2 s ARG 96 CO -0.09 -0.82 1.13 -1.50 -0.81 0.00 0.00 175.30 173.21 2kb2 s ILE 97 N 2.49 2.41 -0.37 4.11 -1.16 -1.25 -0.97 121.20 126.45 2kb2 s ILE 97 Ca 0.11 0.13 0.00 0.00 -0.51 0.00 0.00 60.65 60.38 2kb2 s ILE 97 Cb -0.14 -2.28 0.13 0.00 0.61 0.00 0.00 42.46 40.77 2kb2 s ILE 97 CO -0.23 -0.17 0.20 -0.22 -2.81 0.00 0.00 174.94 171.71 2kb2 s LEU 98 N -6.41 1.65 -0.95 8.50 2.96 0.23 -4.74 118.68 119.92 2kb2 s LEU 98 Ca 0.65 -2.16 -0.25 0.00 -0.22 0.00 0.00 54.13 52.14 2kb2 s LEU 98 Cb -0.21 -0.66 -0.14 0.00 0.50 0.00 0.00 46.19 45.68 2kb2 s LEU 98 CO 0.57 -0.32 2.17 -0.62 -1.32 0.00 0.00 176.35 176.83 2kb2 s ASP 99 N 1.02 4.13 0.67 3.68 2.15 -1.26 -1.45 116.67 125.60 2kb2 s ASP 99 Ca 0.16 -0.62 0.39 0.00 0.43 0.00 0.00 52.55 52.90 2kb2 s ASP 99 Cb -0.22 -2.57 2.10 0.00 -0.30 0.00 0.00 42.92 41.93 2kb2 s ASP 99 CO -0.06 -3.84 2.19 -0.07 -0.17 0.00 0.00 175.17 173.22 2kb2 h LEU 100 N 21.00 0.00 -1.99 -1.34 3.38 0.79 0.23 115.31 137.38 2kb2 h LEU 100 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 2kb2 h LEU 100 Cb 0.99 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.74 2kb2 h LEU 100 CO 1.08 0.00 0.09 0.03 0.09 0.00 0.00 178.44 179.72 2kb2 h ARG 101 N 0.00 0.00 0.02 1.13 3.08 -1.81 -2.03 114.38 114.78 2kb2 h ARG 101 Ca 0.00 0.00 -0.36 0.00 0.07 0.00 0.00 59.98 59.70 2kb2 h ARG 101 Cb 0.28 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.28 2kb2 h ARG 101 CO -0.00 0.00 -2.00 1.28 -1.07 0.00 0.00 179.97 178.18 2kb2 n LEU 102 N -2.60 2.22 0.00 3.04 4.77 0.79 -5.01 117.00 120.21 2kb2 n LEU 102 Ca -0.02 0.26 0.00 0.00 -0.03 0.00 0.00 56.01 56.23 2kb2 n LEU 102 Cb 0.13 -0.94 0.00 0.00 -2.33 0.00 0.00 43.42 40.28 2kb2 n LEU 102 CO 0.13 0.59 0.00 0.49 -1.33 0.00 0.00 177.39 177.27 2kb2 n PHE 103 N -4.00 0.00 -2.65 -1.77 3.72 -0.76 -5.06 117.46 106.94 2kb2 n PHE 103 Ca -0.41 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 56.99 2kb2 n PHE 103 Cb 0.87 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.41 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 0.49 -1.08 0.28 -1.26 -4.82 120.64 114.26 2kb2 n GLU 104 Ca 0.00 0.00 -0.20 0.00 -0.16 0.00 0.00 57.16 56.80 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 0.00 0.05 0.00 3.84 2.02 -1.94 0.20 112.91 117.08 2kb2 h THR 105 Ca 0.00 -0.04 -0.13 0.00 0.77 0.00 0.00 66.41 67.01 2kb2 h THR 105 Cb 0.00 0.05 -0.02 0.00 -1.74 0.00 0.00 68.15 66.44 2kb2 h THR 105 CO 0.00 0.00 -0.63 0.44 0.37 0.00 0.00 175.52 175.70 2kb2 h ASP 106 N -1.29 0.00 0.48 4.18 5.19 -1.98 -2.88 116.42 120.12 2kb2 h ASP 106 Ca -0.13 0.00 -0.02 0.00 -0.62 0.00 0.00 57.03 56.26 2kb2 h ASP 106 Cb 0.96 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.48 2kb2 h ASP 106 CO 0.21 0.63 -0.23 1.23 -3.12 0.00 0.00 179.24 177.96 2kb2 h GLY 107 N 3.05 -0.67 0.60 2.75 0.00 -1.92 0.58 103.07 107.45 2kb2 h GLY 107 Ca -0.01 0.25 0.08 0.00 0.00 0.00 0.00 47.33 47.65 2kb2 h GLY 107 CO 0.08 -0.24 0.49 0.00 0.00 0.00 0.00 176.54 176.87 2kb2 h ALA 108 N -0.74 1.17 -0.58 3.60 0.00 -0.70 0.87 119.26 122.88 2kb2 h ALA 108 Ca -0.07 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 2kb2 h ALA 108 Cb 0.59 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 2kb2 h ALA 108 CO 0.11 0.16 0.22 -0.07 0.00 0.00 0.00 179.25 179.67 2kb2 h LEU 109 N 0.85 0.77 -2.23 0.00 3.38 -1.49 0.13 115.31 116.71 2kb2 h LEU 109 Ca 0.39 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 58.25 2kb2 h LEU 109 Cb 0.29 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 40.84 2kb2 h LEU 109 CO -0.22 0.70 -0.05 -0.33 0.09 0.00 0.00 178.44 178.63 2kb2 h GLU 110 N 0.83 0.00 0.39 1.13 4.39 0.15 -2.48 114.58 118.99 2kb2 h GLU 110 Ca 0.20 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.88 2kb2 h GLU 110 Cb 0.18 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.83 2kb2 h GLU 110 CO -0.02 0.05 -0.19 0.93 -1.16 0.00 0.00 179.01 178.62 2kb2 h GLU 111 N 0.00 -0.50 -1.22 2.33 4.39 0.01 0.24 114.58 119.82 2kb2 h GLU 111 Ca -0.00 0.03 0.35 0.00 0.34 0.00 0.00 59.36 60.08 2kb2 h GLU 111 Cb 0.23 0.11 -0.07 0.00 -0.10 0.00 0.00 28.75 28.92 2kb2 h GLU 111 CO 0.01 -0.30 0.85 0.82 -1.16 0.00 0.00 179.01 179.22 2kb2 h ILE 112 N -1.12 0.37 0.12 3.13 5.03 -1.20 0.48 117.51 124.33 2kb2 h ILE 112 Ca -0.05 -0.04 -0.29 0.00 -0.12 0.00 0.00 64.86 64.35 2kb2 h ILE 112 Cb 0.43 0.24 -0.00 0.00 -3.03 0.00 0.00 36.82 34.46 2kb2 h ILE 112 CO 0.09 0.02 -1.42 -0.07 -0.68 0.00 0.00 178.15 176.09 2kb2 h LEU 113 N 0.12 0.41 -0.98 1.44 4.07 -1.42 0.29 115.31 119.24 2kb2 h LEU 113 Ca 0.63 -0.51 0.24 0.00 0.08 0.00 0.00 57.88 58.32 2kb2 h LEU 113 Cb 2.20 -0.13 -0.12 0.00 1.08 0.00 0.00 40.66 43.69 2kb2 h LEU 113 CO -0.14 1.41 0.56 0.08 -1.08 0.00 0.00 178.44 179.27 2kb2 h ARG 114 N 0.07 0.54 0.00 1.13 0.11 0.35 0.78 114.38 117.36 2kb2 h ARG 114 Ca -0.20 -0.03 0.00 0.00 0.10 0.00 0.00 59.98 59.85 2kb2 h ARG 114 Cb 2.00 -0.12 0.00 0.00 1.11 0.00 0.00 29.97 32.96 2kb2 h ARG 114 CO 0.18 0.36 -1.25 1.97 0.10 0.00 0.00 179.97 181.33 2kb2 n PHE 115 N -4.91 0.00 0.00 4.08 1.16 -1.07 -5.01 117.46 111.71 2kb2 n PHE 115 Ca 0.26 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.84 2kb2 n PHE 115 Cb 0.72 -0.13 0.00 0.00 -1.61 0.00 0.00 39.48 38.46 2kb2 n PHE 115 CO 0.00 0.00 0.00 -1.13 -1.87 0.00 0.00 176.76 173.76 2kb2 n SER 116 N -1.69 0.00 0.00 5.98 3.41 0.27 -4.81 113.62 116.78 2kb2 n SER 116 Ca 0.02 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.63 2kb2 n SER 116 Cb 0.39 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.34 2kb2 n SER 116 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 2kb2 n THR 117 N 0.00 0.00 -1.61 6.66 -2.24 -1.26 -4.66 114.28 111.17 2kb2 n THR 117 Ca 0.00 0.00 -0.35 0.00 -2.27 0.00 0.00 64.05 61.43 2kb2 n THR 117 Cb 0.00 -0.46 0.06 0.00 -2.10 0.00 0.00 70.33 67.83 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 -2.43 3.13 0.73 4.78 -1.74 -1.26 -3.93 117.46 116.73 2kb2 n PHE 118 Ca 0.00 -2.77 0.00 0.00 -0.56 0.00 0.00 57.45 54.12 2kb2 n PHE 118 Cb 0.21 -1.20 0.00 0.00 1.52 0.00 0.00 39.48 40.01 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 -0.78 1.50 1.51 4.97 0.00 -1.26 -4.85 105.19 106.28 2kb2 n GLY 119 Ca 0.57 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.46 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 0.65 0.00 0.16 1.61 0.24 -1.26 -4.93 118.33 114.80 2kb2 n VAL 120 Ca 0.00 -0.10 -0.16 0.00 -2.04 0.00 0.00 64.34 62.04 2kb2 n VAL 120 Cb 0.37 -0.75 -0.08 0.00 -1.47 0.00 0.00 33.84 31.91 2kb2 n VAL 120 CO 0.00 0.00 0.00 0.74 -2.14 0.00 0.00 176.83 175.43 2kb2 h THR 121 N -2.43 0.11 -1.75 3.34 2.02 -2.03 -3.45 112.91 108.73 2kb2 h THR 121 Ca -0.18 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.04 2kb2 h THR 121 Cb 0.59 0.11 -0.24 0.00 -1.74 0.00 0.00 68.15 66.87 2kb2 h THR 121 CO 0.11 0.00 0.27 -1.83 0.37 0.00 0.00 175.52 174.45 2kb2 s GLU 122 N -5.89 0.58 0.18 6.66 -1.05 -1.26 -5.02 118.70 112.90 2kb2 s GLU 122 Ca -0.17 0.84 0.15 0.00 -0.15 0.00 0.00 54.97 55.64 2kb2 s GLU 122 Cb 0.06 0.21 0.74 0.00 -0.44 0.00 0.00 34.13 34.70 2kb2 s GLU 122 CO 0.62 -0.09 1.45 -2.30 0.95 0.00 0.00 175.26 175.89 2kb2 n PRO 123 N 3.17 0.09 0.00 -4.83 -0.02 -1.26 -3.12 135.00 129.03 2kb2 n PRO 123 Ca -0.16 0.52 0.00 0.00 -2.02 0.00 0.00 63.50 61.84 2kb2 n PRO 123 Cb 0.57 -1.76 0.00 0.00 -0.02 0.00 0.00 33.50 32.29 2kb2 n PRO 123 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 2kb2 n VAL 124 N -1.95 0.00 0.96 -1.45 0.31 -1.26 -3.32 118.33 111.62 2kb2 n VAL 124 Ca 0.00 1.03 0.00 0.00 -0.01 0.00 0.00 64.34 65.36 2kb2 n VAL 124 Cb 0.07 -2.02 0.02 0.00 -0.91 0.00 0.00 33.84 31.00 2kb2 n VAL 124 CO 0.00 0.00 0.00 -0.46 -1.32 0.00 0.00 176.83 175.05 2kb2 n ASN 125 N -0.59 1.17 -4.56 4.52 0.23 -1.24 -4.81 115.26 109.97 2kb2 n ASN 125 Ca 0.00 -2.04 -0.39 0.00 -0.53 0.00 0.00 54.58 51.62 2kb2 n ASN 125 Cb 0.00 -0.48 -0.03 0.00 -2.08 0.00 0.00 39.78 37.19 2kb2 n ASN 125 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 2kb2 s ASP 126 N -0.08 5.31 0.31 0.53 2.15 -1.18 -4.85 116.67 118.85 2kb2 s ASP 126 Ca 0.03 0.62 0.06 0.00 0.43 0.00 0.00 52.55 53.69 2kb2 s ASP 126 Cb 0.02 -2.53 0.83 0.00 -0.30 0.00 0.00 42.92 40.95 2kb2 s ASP 126 CO 0.01 -2.29 1.66 -0.09 -0.17 0.00 0.00 175.17 174.29 2kb2 h ARG 127 N 15.04 0.29 -0.16 4.34 9.65 -1.91 0.10 114.38 141.72 2kb2 h ARG 127 Ca -0.27 -0.02 -0.02 0.00 -1.10 0.00 0.00 59.98 58.57 2kb2 h ARG 127 Cb 1.18 -0.06 -0.01 0.00 -1.39 0.00 0.00 29.97 29.68 2kb2 h ARG 127 CO 1.17 0.19 0.01 1.98 2.80 0.00 0.00 179.97 186.12 2kb2 h MET 128 N 0.29 0.29 -0.11 0.20 1.85 -1.95 -2.69 114.93 112.81 2kb2 h MET 128 Ca 0.61 -0.09 0.03 0.00 -0.61 0.00 0.00 59.70 59.65 2kb2 h MET 128 Cb 1.27 -0.03 -0.00 0.00 0.43 0.00 0.00 31.60 33.27 2kb2 h MET 128 CO -0.61 0.49 0.12 0.35 -0.40 0.00 0.00 176.91 176.86 2kb2 h PHE 129 N 0.04 0.00 -0.67 1.39 3.57 -1.18 -0.61 116.94 119.48 2kb2 h PHE 129 Ca 0.05 0.00 0.07 0.00 3.53 0.00 0.00 57.97 61.62 2kb2 h PHE 129 Cb 0.36 0.00 -0.06 0.00 2.79 0.00 0.00 35.95 39.04 2kb2 h PHE 129 CO 0.03 0.00 0.35 0.00 -2.23 0.00 0.00 178.31 176.46 2kb2 h ARG 130 N 0.00 0.61 0.04 1.11 2.47 -0.83 -0.21 114.38 117.57 2kb2 h ARG 130 Ca 0.05 -0.04 -0.11 0.00 -1.26 0.00 0.00 59.98 58.63 2kb2 h ARG 130 Cb 0.30 -0.14 -0.00 0.00 -1.65 0.00 0.00 29.97 28.48 2kb2 h ARG 130 CO -0.00 0.41 -0.53 -0.07 0.56 0.00 0.00 179.97 180.33 2kb2 h LEU 131 N 0.63 0.14 -0.50 3.04 -0.00 -1.30 -3.17 115.31 114.15 2kb2 h LEU 131 Ca 0.31 -0.89 0.06 0.00 -0.00 0.00 0.00 57.88 57.36 2kb2 h LEU 131 Cb 0.26 -0.04 -0.09 0.00 -0.00 0.00 0.00 40.66 40.79 2kb2 h LEU 131 CO -0.22 1.23 -0.54 0.25 -0.00 0.00 0.00 178.44 179.16 2kb2 h LEU 132 N -0.79 -1.84 -1.45 1.67 5.85 -1.00 0.14 115.31 117.89 2kb2 h LEU 132 Ca -0.12 0.25 -0.01 0.00 0.84 0.00 0.00 57.88 58.84 2kb2 h LEU 132 Cb 1.27 0.77 -0.00 0.00 0.37 0.00 0.00 40.66 43.06 2kb2 h LEU 132 CO 0.00 -0.37 -0.07 0.77 -0.34 0.00 0.00 178.44 178.43 2kb2 h SER 133 N -0.33 0.00 0.59 1.25 4.64 -1.22 -1.68 113.55 116.80 2kb2 h SER 133 Ca 0.10 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 61.26 2kb2 h SER 133 Cb 0.57 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.64 2kb2 h SER 133 CO -0.65 0.07 -0.71 0.00 -0.87 0.00 0.00 176.83 174.67 2kb2 h ALA 134 N 1.93 0.79 0.13 5.18 0.00 -0.79 0.15 119.26 126.65 2kb2 h ALA 134 Ca -0.00 -0.63 -0.29 0.00 0.00 0.00 0.00 54.91 53.99 2kb2 h ALA 134 Cb 0.54 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.24 2kb2 h ALA 134 CO 0.01 0.84 -1.35 0.35 0.00 0.00 0.00 179.25 179.10 2kb2 h PHE 135 N 0.07 0.51 -0.16 0.00 3.57 -0.54 0.13 116.94 120.52 2kb2 h PHE 135 Ca -0.01 -0.38 -0.12 0.00 3.53 0.00 0.00 57.97 60.99 2kb2 h PHE 135 Cb 1.25 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 39.96 2kb2 h PHE 135 CO 0.01 1.33 -0.42 0.82 -2.23 0.00 0.00 178.31 177.82 2kb2 h ILE 136 N 0.08 1.31 0.00 1.41 5.03 -1.26 0.23 117.51 124.31 2kb2 h ILE 136 Ca -0.18 -1.57 -0.08 0.00 -0.12 0.00 0.00 64.86 62.92 2kb2 h ILE 136 Cb 2.00 1.65 -0.01 0.00 -3.03 0.00 0.00 36.82 37.43 2kb2 h ILE 136 CO 0.20 0.48 -0.50 0.00 -0.68 0.00 0.00 178.15 177.64 2kb2 h ALA 137 N 1.25 0.09 0.00 1.87 0.00 -0.75 -3.31 119.26 118.41 2kb2 h ALA 137 Ca 0.03 -0.65 -0.37 0.00 0.00 0.00 0.00 54.91 53.91 2kb2 h ALA 137 Cb 0.87 0.33 -0.07 0.00 0.00 0.00 0.00 17.79 18.93 2kb2 h ALA 137 CO 0.07 0.32 -2.40 -3.47 0.00 0.00 0.00 179.25 173.77 2kb2 n ASP 138 N -4.58 2.09 -3.38 0.00 2.03 0.41 -4.97 116.55 108.14 2kb2 n ASP 138 Ca -0.15 -0.12 -0.20 0.00 0.52 0.00 0.00 54.79 54.84 2kb2 n ASP 138 Cb 0.43 -0.40 -0.03 0.00 -0.72 0.00 0.00 41.12 40.40 2kb2 n ASP 138 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2kb2 n GLY 139 N 2.30 -0.46 3.27 0.27 0.00 0.82 -2.59 105.19 108.80 2kb2 n GLY 139 Ca -0.44 0.04 -0.27 0.00 0.00 0.00 0.00 46.02 45.36 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 -0.83 -0.45 2.67 -0.02 0.00 -1.26 -4.88 105.19 100.42 2kb2 n GLY 140 Ca 0.04 1.17 -0.29 0.00 0.00 0.00 0.00 46.02 46.94 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 -2.60 0.54 0.44 1.61 1.81 -1.07 -4.99 118.95 114.68 2kb2 s ARG 141 Ca 0.32 -0.88 -0.23 0.00 -1.72 0.00 0.00 55.73 53.21 2kb2 s ARG 141 Cb -0.05 -1.72 -0.10 0.00 -0.45 0.00 0.00 34.95 32.63 2kb2 s ARG 141 CO 0.84 -0.99 0.93 2.48 -0.68 0.00 0.00 175.30 177.88 2kb2 n TYR 142 N 4.99 0.88 -1.75 -0.53 4.11 -1.26 -4.84 117.16 118.75 2kb2 n TYR 142 Ca -0.03 0.55 -0.42 0.00 -0.00 0.00 0.00 57.90 58.00 2kb2 n TYR 142 Cb 0.42 -2.18 -0.03 0.00 -0.00 0.00 0.00 39.34 37.55 2kb2 n TYR 142 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 2kb2 n LEU 144 N 6.48 3.16 -4.76 0.00 7.99 -1.26 -4.93 117.00 123.68 2kb2 n LEU 144 Ca 0.18 1.18 -0.38 0.00 -0.01 0.00 0.00 56.01 56.97 2kb2 n LEU 144 Cb 0.40 -1.43 0.00 0.00 -0.11 0.00 0.00 43.42 42.28 2kb2 n LEU 144 CO 0.66 -0.78 0.92 -2.16 -1.51 0.00 0.00 177.39 174.52 2kb2 s PRO 145 N -1.86 3.71 -0.45 3.23 0.04 -1.26 -4.19 135.00 134.22 2kb2 s PRO 145 Ca 0.57 2.05 -0.22 0.00 0.04 0.00 0.00 61.00 63.44 2kb2 s PRO 145 Cb -0.59 -2.53 0.03 0.00 0.04 0.00 0.00 34.50 31.46 2kb2 s PRO 145 CO 0.61 -0.68 0.62 -1.91 0.04 0.00 0.00 177.00 175.68 2kb2 n GLU 146 N -0.34 -2.23 -0.04 4.56 2.13 -1.26 -5.03 120.64 118.43 2kb2 n GLU 146 Ca 0.06 1.91 0.00 0.00 0.66 0.00 0.00 57.16 59.79 2kb2 n GLU 146 Cb 0.45 -4.63 0.00 0.00 0.27 0.00 0.00 31.44 27.54 2kb2 n GLU 146 CO 0.00 0.00 0.00 -0.35 -0.41 0.00 0.00 177.13 176.37 2kb2 n PRO 147 N -0.32 0.99 0.00 5.31 -0.04 -1.26 -5.28 135.00 134.41 2kb2 n PRO 147 Ca 0.06 0.00 0.01 0.00 -0.04 0.00 0.00 63.50 63.52 2kb2 n PRO 147 Cb 0.53 0.00 0.04 0.00 -0.04 0.00 0.00 33.50 34.03 2kb2 n PRO 147 CO 0.00 0.00 0.00 1.47 -0.04 0.00 0.00 175.50 176.93