#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 3.45 0.07 1.61 2.12 -1.26 -5.06 118.70 119.63 2kb2 s GLU 2 Ca 0.00 -0.67 -0.08 0.00 0.36 0.00 0.00 54.97 54.58 2kb2 s GLU 2 Cb 0.00 -3.75 -0.00 0.00 0.26 0.00 0.00 34.13 30.64 2kb2 s GLU 2 CO 0.00 -0.44 0.18 0.12 -0.54 0.00 0.00 175.26 174.58 2kb2 s PHE 3 N 1.69 0.15 0.96 5.30 5.36 -1.26 -5.16 117.98 125.02 2kb2 s PHE 3 Ca 0.06 -0.53 -0.11 0.00 -0.96 0.00 0.00 56.93 55.39 2kb2 s PHE 3 Cb -0.17 -0.07 0.17 0.00 -0.34 0.00 0.00 43.02 42.61 2kb2 s PHE 3 CO 0.09 -0.50 1.11 -1.64 -1.46 0.00 0.00 175.22 172.82 2kb2 s MET 4 N -3.50 0.66 0.49 10.12 -1.94 -1.26 -5.04 119.30 118.83 2kb2 s MET 4 Ca 0.02 1.31 0.03 0.00 -1.71 0.00 0.00 55.69 55.35 2kb2 s MET 4 Cb 0.03 -1.70 -0.03 0.00 2.01 0.00 0.00 34.83 35.14 2kb2 s MET 4 CO -0.09 -2.80 0.05 -0.51 -0.01 0.00 0.00 175.02 171.66 2kb2 s LEU 5 N -6.68 2.50 0.08 -0.03 1.02 -0.87 -4.47 118.68 110.24 2kb2 s LEU 5 Ca 0.67 -1.53 -0.23 0.00 0.02 0.00 0.00 54.13 53.06 2kb2 s LEU 5 Cb -0.23 -0.85 0.06 0.00 0.02 0.00 0.00 46.19 45.20 2kb2 s LEU 5 CO 0.59 -0.77 0.56 -0.89 0.02 0.00 0.00 176.35 175.87 2kb2 s THR 6 N -2.82 0.02 -0.41 5.49 2.01 0.13 -0.26 115.64 119.80 2kb2 s THR 6 Ca 0.16 -0.15 0.02 0.00 0.31 0.00 0.00 61.69 62.04 2kb2 s THR 6 Cb 0.03 -1.01 0.12 0.00 0.01 0.00 0.00 72.50 71.65 2kb2 s THR 6 CO 0.09 -0.08 0.17 -0.89 -0.69 0.00 0.00 174.62 173.22 2kb2 s THR 7 N -2.86 1.82 -0.12 -0.82 2.01 0.24 0.11 115.64 116.02 2kb2 s THR 7 Ca -0.03 -2.49 -0.20 0.00 0.31 0.00 0.00 61.69 59.28 2kb2 s THR 7 Cb -0.00 -2.31 -0.04 0.00 0.01 0.00 0.00 72.50 70.16 2kb2 s THR 7 CO -0.05 -0.76 0.56 -0.22 -0.69 0.00 0.00 174.62 173.46 2kb2 s LEU 8 N 0.55 4.27 0.00 4.42 0.20 0.14 -2.13 118.68 126.13 2kb2 s LEU 8 Ca 0.14 0.92 0.05 0.00 0.69 0.00 0.00 54.13 55.94 2kb2 s LEU 8 Cb -0.22 -2.83 -0.01 0.00 -0.43 0.00 0.00 46.19 42.69 2kb2 s LEU 8 CO -0.06 -0.07 -0.16 -0.63 -0.29 0.00 0.00 176.35 175.13 2kb2 s ILE 9 N 0.87 1.27 0.23 6.68 1.01 -0.18 -0.26 121.20 130.81 2kb2 s ILE 9 Ca 0.30 -0.78 -0.06 0.00 0.00 0.00 0.00 60.65 60.11 2kb2 s ILE 9 Cb -0.16 -1.07 -0.02 0.00 0.01 0.00 0.00 42.46 41.21 2kb2 s ILE 9 CO 0.13 0.28 0.30 -0.72 0.00 0.00 0.00 174.94 174.93 2kb2 s TYR 10 N -0.49 0.85 -0.14 3.97 -0.85 -0.75 0.13 117.35 120.07 2kb2 s TYR 10 Ca 0.06 -1.12 -0.09 0.00 -0.52 0.00 0.00 57.07 55.40 2kb2 s TYR 10 Cb -0.07 -0.23 0.05 0.00 0.38 0.00 0.00 41.96 42.10 2kb2 s TYR 10 CO -0.00 -0.83 0.35 -0.98 -1.52 0.00 0.00 175.55 172.57 2kb2 s ARG 11 N -4.00 0.35 0.00 -3.49 1.70 -0.77 -0.72 118.95 112.02 2kb2 s ARG 11 Ca 0.32 0.64 0.00 0.00 -0.47 0.00 0.00 55.73 56.22 2kb2 s ARG 11 Cb 0.03 0.00 0.00 0.00 -0.57 0.00 0.00 34.95 34.42 2kb2 s ARG 11 CO 0.12 -0.13 0.00 -1.13 -1.08 0.00 0.00 175.30 173.08 2kb2 n SER 12 N 3.91 1.12 0.00 -2.89 3.41 -0.12 -0.83 113.62 118.22 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 0.55 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.50 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 1.44 -3.49 4.33 6.02 -1.26 -2.19 117.38 122.24 2kb2 n GLN 13 Ca 0.00 0.00 -0.03 0.00 -0.01 0.00 0.00 57.00 56.96 2kb2 n GLN 13 Cb 0.00 0.00 0.02 0.00 1.02 0.00 0.00 30.24 31.28 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 -3.22 5.09 3.14 0.78 -3.84 118.33 120.29 2kb2 n VAL 14 Ca 0.00 -0.49 -0.46 0.00 -2.96 0.00 0.00 64.34 60.43 2kb2 n VAL 14 Cb 0.00 0.66 -0.04 0.00 -1.06 0.00 0.00 33.84 33.41 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 -2.73 3.34 0.07 1.45 3.76 -1.22 -4.76 115.29 115.20 2kb2 s HIS 15 Ca 0.19 -1.45 0.20 0.00 -0.15 0.00 0.00 55.06 53.85 2kb2 s HIS 15 Cb -0.02 -3.92 1.08 0.00 1.11 0.00 0.00 32.58 30.83 2kb2 s HIS 15 CO 0.05 -1.14 1.56 -1.00 -0.85 0.00 0.00 174.74 173.36 2kb2 h PRO 16 N 8.59 0.00 0.04 8.40 0.13 -1.93 0.98 132.00 148.20 2kb2 h PRO 16 Ca -0.11 0.00 -0.34 0.00 -0.87 0.00 0.00 66.00 64.68 2kb2 h PRO 16 Cb 1.07 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.15 2kb2 h PRO 16 CO 0.97 0.00 -1.99 -3.47 -0.23 0.00 0.00 178.00 173.28 2kb2 n ASP 17 N -2.29 1.23 -4.81 1.44 2.03 -1.26 -4.96 116.55 107.94 2kb2 n ASP 17 Ca -0.01 0.23 -0.29 0.00 0.52 0.00 0.00 54.79 55.23 2kb2 n ASP 17 Cb 0.22 -0.17 0.12 0.00 -0.72 0.00 0.00 41.12 40.58 2kb2 n ASP 17 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 2kb2 s ARG 18 N -2.56 1.38 0.96 -0.67 0.52 0.34 -5.07 118.95 113.84 2kb2 s ARG 18 Ca -0.14 0.29 -0.16 0.00 -0.52 0.00 0.00 55.73 55.20 2kb2 s ARG 18 Cb 0.07 -1.87 0.20 0.00 0.52 0.00 0.00 34.95 33.88 2kb2 s ARG 18 CO 0.78 -2.04 1.32 -1.25 0.02 0.00 0.00 175.30 174.14 2kb2 s PRO 19 N -5.32 0.62 0.97 3.54 0.05 -1.26 -4.91 135.00 128.69 2kb2 s PRO 19 Ca 0.63 -0.43 -0.13 0.00 0.05 0.00 0.00 61.00 61.12 2kb2 s PRO 19 Cb -0.14 -1.85 0.06 0.00 0.05 0.00 0.00 34.50 32.62 2kb2 s PRO 19 CO 0.53 -2.42 0.43 -2.30 0.05 0.00 0.00 177.00 173.29 2kb2 n PRO 20 N -3.77 -0.46 -3.27 0.56 -0.02 -1.26 -4.97 135.00 121.81 2kb2 n PRO 20 Ca 0.15 -0.09 -0.30 0.00 -2.02 0.00 0.00 63.50 61.24 2kb2 n PRO 20 Cb 0.59 -1.89 -0.04 0.00 -0.02 0.00 0.00 33.50 32.15 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 -2.40 4.94 -1.25 -1.45 1.01 -1.26 -4.97 120.40 115.02 2kb2 s VAL 21 Ca 0.58 0.31 -0.07 0.00 0.00 0.00 0.00 61.98 62.80 2kb2 s VAL 21 Cb -0.20 -3.69 0.00 0.00 0.00 0.00 0.00 36.38 32.49 2kb2 s VAL 21 CO 0.67 -0.27 2.74 0.47 0.00 0.00 0.00 175.10 178.70 2kb2 n ASP 22 N -0.73 7.96 0.00 3.32 9.92 -1.26 -4.72 116.55 131.04 2kb2 n ASP 22 Ca -0.00 -2.88 0.00 0.00 -0.53 0.00 0.00 54.79 51.38 2kb2 n ASP 22 Cb 0.53 -1.43 0.00 0.00 -0.64 0.00 0.00 41.12 39.59 2kb2 n ASP 22 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 2kb2 n LEU 23 N 2.40 0.00 -0.13 0.64 4.77 -1.26 0.15 117.00 123.57 2kb2 n LEU 23 Ca 0.66 0.00 -0.22 0.00 -0.03 0.00 0.00 56.01 56.41 2kb2 n LEU 23 Cb 0.32 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.31 2kb2 n LEU 23 CO 0.67 0.00 -1.34 0.47 -1.33 0.00 0.00 177.39 175.86 2kb2 n ASP 24 N -0.66 1.97 0.06 -1.43 9.92 -1.26 -4.25 116.55 120.89 2kb2 n ASP 24 Ca 0.00 0.10 -0.03 0.00 -0.53 0.00 0.00 54.79 54.34 2kb2 n ASP 24 Cb 0.00 -0.58 -0.07 0.00 -0.64 0.00 0.00 41.12 39.83 2kb2 n ASP 24 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2kb2 h ALA 25 N -0.48 0.62 -0.56 2.24 0.00 -0.50 -2.69 119.26 117.89 2kb2 h ALA 25 Ca -0.60 -0.88 -0.07 0.00 0.00 0.00 0.00 54.91 53.36 2kb2 h ALA 25 Cb 1.70 0.13 -0.02 0.00 0.00 0.00 0.00 17.79 19.60 2kb2 h ALA 25 CO -0.25 1.05 0.06 1.25 0.00 0.00 0.00 179.25 181.36 2kb2 h LEU 26 N 0.00 0.92 0.17 0.00 6.46 0.11 -2.85 115.31 120.12 2kb2 h LEU 26 Ca -0.11 -0.28 -0.35 0.00 -0.12 0.00 0.00 57.88 57.02 2kb2 h LEU 26 Cb 1.66 -0.25 0.01 0.00 -0.73 0.00 0.00 40.66 41.35 2kb2 h LEU 26 CO 0.08 0.97 -1.75 1.62 -0.62 0.00 0.00 178.44 178.73 2kb2 h VAL 27 N 0.84 0.93 -0.09 1.05 3.04 -1.74 -3.34 116.25 116.94 2kb2 h VAL 27 Ca 0.17 -2.53 0.04 0.00 -1.01 0.00 0.00 66.70 63.36 2kb2 h VAL 27 Cb 0.46 2.74 -0.06 0.00 -2.01 0.00 0.00 31.29 32.42 2kb2 h VAL 27 CO 0.02 0.85 -0.46 -0.74 -1.01 0.00 0.00 177.57 176.23 2kb2 h HIS 28 N 0.10 -1.32 -0.05 3.17 6.17 -1.48 0.99 115.15 122.74 2kb2 h HIS 28 Ca -0.34 0.05 0.01 0.00 0.71 0.00 0.00 60.37 60.80 2kb2 h HIS 28 Cb 2.09 0.59 -0.00 0.00 2.52 0.00 0.00 27.41 32.61 2kb2 h HIS 28 CO 0.10 -0.51 0.10 0.00 0.71 0.00 0.00 177.93 178.33 2kb2 h ARG 29 N -0.55 0.00 0.04 5.26 -0.00 -1.69 -2.68 114.38 114.76 2kb2 h ARG 29 Ca 0.06 0.00 -0.00 0.00 -0.50 0.00 0.00 59.98 59.53 2kb2 h ARG 29 Cb 0.66 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.63 2kb2 h ARG 29 CO -0.38 0.00 -0.02 0.00 0.00 0.00 0.00 179.97 179.57 2kb2 h ALA 30 N 1.85 -0.06 -1.00 0.04 0.00 -1.01 -3.23 119.26 115.86 2kb2 h ALA 30 Ca 0.02 -0.01 0.26 0.00 0.00 0.00 0.00 54.91 55.18 2kb2 h ALA 30 Cb 0.22 0.02 -0.07 0.00 0.00 0.00 0.00 17.79 17.97 2kb2 h ALA 30 CO -0.00 -0.05 0.67 1.03 0.00 0.00 0.00 179.25 180.90 2kb2 h SER 31 N -0.98 0.28 0.15 0.00 0.87 -0.94 0.21 113.55 113.13 2kb2 h SER 31 Ca -0.01 0.04 -0.14 0.00 -1.23 0.00 0.00 61.79 60.46 2kb2 h SER 31 Cb 0.04 -0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 61.99 2kb2 h SER 31 CO 0.01 0.08 -0.49 -1.28 -0.53 0.00 0.00 176.83 174.62 2kb2 h SER 32 N 0.26 0.43 0.69 6.23 0.87 -1.61 -1.03 113.55 119.39 2kb2 h SER 32 Ca 0.52 -0.21 -0.26 0.00 -1.23 0.00 0.00 61.79 60.61 2kb2 h SER 32 Cb 1.56 -0.12 -0.04 0.00 -0.44 0.00 0.00 62.40 63.36 2kb2 h SER 32 CO -0.16 0.85 -1.41 0.50 -0.53 0.00 0.00 176.83 176.08 2kb2 h LYS 33 N 0.32 0.03 0.06 2.24 3.11 -0.75 -3.36 116.57 118.21 2kb2 h LYS 33 Ca 0.02 -0.05 -0.24 0.00 -2.81 0.00 0.00 60.65 57.57 2kb2 h LYS 33 Cb 0.97 0.02 -0.01 0.00 -1.00 0.00 0.00 32.23 32.21 2kb2 h LYS 33 CO 0.08 0.77 -1.08 -0.91 -2.81 0.00 0.00 179.45 175.51 2kb2 h ASN 34 N 0.01 0.27 0.39 4.20 4.21 -0.76 -3.19 115.58 120.71 2kb2 h ASN 34 Ca -0.17 -0.27 -0.01 0.00 1.21 0.00 0.00 56.30 57.06 2kb2 h ASN 34 Cb 1.92 -0.09 -0.02 0.00 -1.12 0.00 0.00 38.32 39.01 2kb2 h ASN 34 CO 0.11 1.17 -0.39 0.25 -1.29 0.00 0.00 177.43 177.28 2kb2 h LEU 35 N 0.07 -1.07 -1.79 1.61 5.85 -1.31 0.28 115.31 118.95 2kb2 h LEU 35 Ca -0.08 0.08 -0.02 0.00 0.84 0.00 0.00 57.88 58.70 2kb2 h LEU 35 Cb 1.79 0.35 -0.00 0.00 0.37 0.00 0.00 40.66 43.17 2kb2 h LEU 35 CO 0.17 -0.52 -0.11 1.55 -0.34 0.00 0.00 178.44 179.19 2kb2 h PRO 36 N -0.78 0.00 0.00 5.25 0.13 -1.73 -2.18 132.00 132.69 2kb2 h PRO 36 Ca -0.05 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 65.03 2kb2 h PRO 36 Cb 0.67 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.80 2kb2 h PRO 36 CO -0.05 0.11 -0.22 -0.07 -0.23 0.00 0.00 178.00 177.55 2kb2 h LEU 37 N 0.00 0.00 0.00 1.56 4.07 -1.45 -3.47 115.31 116.03 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 0.41 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.15 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 0.65 0.65 3.86 0.83 0.00 -0.05 -4.96 105.19 106.17 2kb2 n GLY 38 Ca 0.02 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.17 4.70 0.09 -0.61 1.01 0.78 -4.57 121.20 120.43 2kb2 s ILE 39 Ca 0.00 0.86 -0.12 0.00 0.00 0.00 0.00 60.65 61.39 2kb2 s ILE 39 Cb 0.00 -3.68 0.01 0.00 0.01 0.00 0.00 42.46 38.81 2kb2 s ILE 39 CO 0.00 -0.41 0.28 0.42 0.00 0.00 0.00 174.94 175.23 2kb2 s THR 40 N -2.26 0.11 -4.91 2.92 -4.23 -0.97 -3.99 115.64 102.31 2kb2 s THR 40 Ca 0.54 -0.87 0.00 0.00 -1.18 0.00 0.00 61.69 60.18 2kb2 s THR 40 Cb -0.10 -1.19 0.00 0.00 1.34 0.00 0.00 72.50 72.55 2kb2 s THR 40 CO 0.25 -0.48 0.00 0.61 -0.54 0.00 0.00 174.62 174.46 2kb2 n GLY 41 N 0.03 -0.56 3.30 3.99 0.00 0.19 0.78 105.19 112.93 2kb2 n GLY 41 Ca -0.16 -1.12 -0.12 0.00 0.00 0.00 0.00 46.02 44.62 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 0.06 0.33 -0.61 2.07 -0.52 -3.56 121.20 115.98 2kb2 s ILE 42 Ca 0.00 -0.54 0.10 0.00 -1.41 0.00 0.00 60.65 58.80 2kb2 s ILE 42 Cb 0.00 -0.97 -0.06 0.00 0.13 0.00 0.00 42.46 41.56 2kb2 s ILE 42 CO 0.00 -0.30 -0.04 -0.76 -1.91 0.00 0.00 174.94 171.93 2kb2 s LEU 43 N -2.10 2.88 0.02 8.50 1.43 -0.48 -0.46 118.68 128.48 2kb2 s LEU 43 Ca -0.04 -1.03 -0.04 0.00 -1.03 0.00 0.00 54.13 51.99 2kb2 s LEU 43 Cb -0.01 -1.25 -0.01 0.00 0.03 0.00 0.00 46.19 44.95 2kb2 s LEU 43 CO -0.04 -0.18 0.06 -0.76 0.23 0.00 0.00 176.35 175.67 2kb2 s LEU 44 N -3.66 1.90 -0.14 1.79 1.02 0.18 0.51 118.68 120.28 2kb2 s LEU 44 Ca 0.33 -0.42 -0.09 0.00 0.02 0.00 0.00 54.13 53.98 2kb2 s LEU 44 Cb -0.00 0.42 0.05 0.00 0.02 0.00 0.00 46.19 46.68 2kb2 s LEU 44 CO 0.18 -0.38 0.33 0.12 0.02 0.00 0.00 176.35 176.62 2kb2 s PHE 45 N -1.77 -0.45 -0.04 0.29 5.36 -0.49 -1.99 117.98 118.90 2kb2 s PHE 45 Ca -0.12 1.01 0.05 0.00 -0.96 0.00 0.00 56.93 56.91 2kb2 s PHE 45 Cb -0.07 0.16 0.08 0.00 -0.34 0.00 0.00 43.02 42.85 2kb2 s PHE 45 CO -0.01 -0.26 1.01 0.27 -1.46 0.00 0.00 175.22 174.77 2kb2 n ASN 46 N 3.87 1.94 0.00 6.13 0.23 -1.14 0.11 115.26 126.40 2kb2 n ASN 46 Ca -0.21 -2.25 0.00 0.00 -0.53 0.00 0.00 54.58 51.59 2kb2 n ASN 46 Cb 0.55 -0.13 0.00 0.00 -2.08 0.00 0.00 39.78 38.13 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 -0.72 0.59 0.00 4.83 0.00 -1.26 -4.74 105.19 103.89 2kb2 n GLY 47 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 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 -4.51 0.99 -0.00 -1.26 -4.94 117.00 107.28 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 -0.10 0.00 -0.00 0.00 0.00 43.42 43.32 2kb2 n LEU 48 CO 0.00 0.00 -0.44 -1.10 -0.00 0.00 0.00 177.39 175.85 2kb2 s GLN 49 N -1.00 1.78 -0.23 1.96 -0.21 -1.26 -0.15 119.66 120.54 2kb2 s GLN 49 Ca 0.00 -1.78 0.01 0.00 0.02 0.00 0.00 55.36 53.60 2kb2 s GLN 49 Cb 0.00 -1.79 0.06 0.00 1.00 0.00 0.00 33.01 32.28 2kb2 s GLN 49 CO 0.00 0.28 -0.05 -0.06 -2.12 0.00 0.00 175.29 173.33 2kb2 s PHE 50 N -2.52 2.38 -0.20 0.91 0.08 -0.93 -2.88 117.98 114.82 2kb2 s PHE 50 Ca 0.31 -1.75 -0.09 0.00 0.12 0.00 0.00 56.93 55.52 2kb2 s PHE 50 Cb -0.03 -1.57 -0.05 0.00 -0.57 0.00 0.00 43.02 40.80 2kb2 s PHE 50 CO 0.16 -0.77 0.11 0.12 -0.10 0.00 0.00 175.22 174.73 2kb2 s PHE 51 N 1.40 3.32 -0.09 0.36 5.36 -0.84 -0.94 117.98 126.54 2kb2 s PHE 51 Ca -0.06 0.19 0.00 0.00 -0.96 0.00 0.00 56.93 56.11 2kb2 s PHE 51 Cb -0.19 -2.15 0.02 0.00 -0.34 0.00 0.00 43.02 40.37 2kb2 s PHE 51 CO -0.06 0.18 -0.09 -1.14 -1.46 0.00 0.00 175.22 172.66 2kb2 s GLN 52 N 0.50 1.52 -0.58 10.12 0.74 0.11 0.48 119.66 132.54 2kb2 s GLN 52 Ca 0.06 -0.28 -0.19 0.00 0.05 0.00 0.00 55.36 54.99 2kb2 s GLN 52 Cb -0.12 -1.48 0.09 0.00 1.10 0.00 0.00 33.01 32.60 2kb2 s GLN 52 CO -0.00 -0.17 0.72 0.08 -0.55 0.00 0.00 175.29 175.37 2kb2 s VAL 53 N 1.36 4.76 -0.07 1.34 1.01 0.39 -1.81 120.40 127.39 2kb2 s VAL 53 Ca -0.02 -0.79 -0.01 0.00 0.00 0.00 0.00 61.98 61.16 2kb2 s VAL 53 Cb -0.14 -4.48 -0.03 0.00 0.00 0.00 0.00 36.38 31.74 2kb2 s VAL 53 CO -0.04 -1.10 0.00 -0.22 0.00 0.00 0.00 175.10 173.74 2kb2 s LEU 54 N 2.86 3.58 0.23 3.92 2.96 0.64 -1.43 118.68 131.43 2kb2 s LEU 54 Ca 0.14 0.11 0.04 0.00 -0.22 0.00 0.00 54.13 54.20 2kb2 s LEU 54 Cb -0.22 -1.87 -0.05 0.00 0.50 0.00 0.00 46.19 44.54 2kb2 s LEU 54 CO 0.08 0.36 -0.00 -1.61 -1.32 0.00 0.00 176.35 173.85 2kb2 s GLU 55 N -1.05 1.34 0.00 1.98 2.02 0.23 0.25 118.70 123.48 2kb2 s GLU 55 Ca 0.15 -1.68 0.00 0.00 0.02 0.00 0.00 54.97 53.46 2kb2 s GLU 55 Cb -0.11 -0.62 0.00 0.00 0.10 0.00 0.00 34.13 33.50 2kb2 s GLU 55 CO 0.04 -0.10 0.00 0.41 0.02 0.00 0.00 175.26 175.64 2kb2 n GLY 56 N -0.42 0.88 3.72 -1.39 0.00 0.29 -2.28 105.19 105.99 2kb2 n GLY 56 Ca -0.05 -2.23 -0.42 0.00 0.00 0.00 0.00 46.02 43.32 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 -0.97 1.80 -0.20 2.61 -2.24 -1.26 0.20 114.28 114.21 2kb2 n THR 57 Ca 0.00 -0.45 0.20 0.00 -2.27 0.00 0.00 64.05 61.53 2kb2 n THR 57 Cb 0.00 -1.73 0.55 0.00 -2.10 0.00 0.00 70.33 67.06 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 3.06 0.31 -0.44 -0.78 4.81 -1.85 0.24 114.58 119.93 2kb2 h GLU 58 Ca -0.47 -0.02 -0.04 0.00 -0.13 0.00 0.00 59.36 58.69 2kb2 h GLU 58 Cb 1.26 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 30.55 2kb2 h GLU 58 CO 0.66 0.21 0.08 1.05 -0.73 0.00 0.00 179.01 180.28 2kb2 h GLU 59 N 0.32 0.66 0.22 1.92 4.11 -1.98 -0.67 114.58 119.18 2kb2 h GLU 59 Ca 0.43 -0.13 -0.32 0.00 0.07 0.00 0.00 59.36 59.41 2kb2 h GLU 59 Cb 1.18 -0.10 0.03 0.00 0.50 0.00 0.00 28.75 30.36 2kb2 h GLU 59 CO -0.13 0.62 -1.43 0.00 0.07 0.00 0.00 179.01 178.14 2kb2 h ALA 60 N 1.45 -0.09 -0.47 1.06 0.00 -0.96 -3.19 119.26 117.06 2kb2 h ALA 60 Ca 0.14 -0.88 -0.04 0.00 0.00 0.00 0.00 54.91 54.14 2kb2 h ALA 60 Cb 0.28 0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 2kb2 h ALA 60 CO 0.00 0.78 0.13 -0.07 0.00 0.00 0.00 179.25 180.09 2kb2 h LEU 61 N 0.13 0.71 0.81 0.00 3.38 -0.83 -0.42 115.31 119.09 2kb2 h LEU 61 Ca -0.23 -0.22 -0.04 0.00 0.09 0.00 0.00 57.88 57.48 2kb2 h LEU 61 Cb 2.12 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 42.69 2kb2 h LEU 61 CO 0.26 0.74 -0.45 -0.08 0.09 0.00 0.00 178.44 179.00 2kb2 h GLU 62 N 0.63 -1.13 -0.51 1.13 4.57 -1.24 0.16 114.58 118.19 2kb2 h GLU 62 Ca 0.15 0.08 0.06 0.00 -1.18 0.00 0.00 59.36 58.47 2kb2 h GLU 62 Cb 0.30 0.26 -0.05 0.00 -0.16 0.00 0.00 28.75 29.10 2kb2 h GLU 62 CO -0.00 -0.75 0.22 0.77 -1.18 0.00 0.00 179.01 178.07 2kb2 h SER 63 N -1.17 0.28 0.58 1.04 0.02 -1.56 0.11 113.55 112.84 2kb2 h SER 63 Ca -0.11 0.05 -0.03 0.00 -0.84 0.00 0.00 61.79 60.86 2kb2 h SER 63 Cb 0.93 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.48 2kb2 h SER 63 CO 0.14 0.19 -0.28 0.25 -1.14 0.00 0.00 176.83 175.99 2kb2 h LEU 64 N 0.43 -0.66 -1.93 5.07 7.12 -0.97 0.35 115.31 124.73 2kb2 h LEU 64 Ca 0.24 0.02 0.28 0.00 0.13 0.00 0.00 57.88 58.55 2kb2 h LEU 64 Cb 0.21 0.17 -0.04 0.00 -0.53 0.00 0.00 40.66 40.47 2kb2 h LEU 64 CO -0.21 -0.46 0.74 0.15 -0.13 0.00 0.00 178.44 178.54 2kb2 h PHE 65 N -0.80 0.00 0.00 1.25 3.57 -0.60 1.01 116.94 121.38 2kb2 h PHE 65 Ca -0.08 0.00 -0.18 0.00 3.53 0.00 0.00 57.97 61.24 2kb2 h PHE 65 Cb 0.59 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.31 2kb2 h PHE 65 CO 0.09 0.00 -0.86 0.77 -2.23 0.00 0.00 178.31 176.08 2kb2 h SER 66 N 0.00 0.03 0.56 0.41 0.02 -0.22 -2.80 113.55 111.55 2kb2 h SER 66 Ca 0.45 -0.02 -0.10 0.00 -0.84 0.00 0.00 61.79 61.28 2kb2 h SER 66 Cb 1.94 -0.01 -0.01 0.00 0.14 0.00 0.00 62.40 64.45 2kb2 h SER 66 CO -0.00 0.87 -0.49 -0.33 -1.14 0.00 0.00 176.83 175.74 2kb2 h GLU 67 N 0.01 0.00 0.74 3.45 4.39 0.32 -3.07 114.58 120.43 2kb2 h GLU 67 Ca -0.01 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.65 2kb2 h GLU 67 Cb 1.51 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 30.17 2kb2 h GLU 67 CO 0.11 0.49 -0.36 0.82 -1.16 0.00 0.00 179.01 178.92 2kb2 h ILE 68 N 0.00 0.09 0.00 3.13 5.03 -0.95 -2.74 117.51 122.07 2kb2 h ILE 68 Ca -0.00 -0.23 0.00 0.00 -0.12 0.00 0.00 64.86 64.50 2kb2 h ILE 68 Cb 0.90 0.12 0.00 0.00 -3.03 0.00 0.00 36.82 34.81 2kb2 h ILE 68 CO 0.06 0.01 0.00 0.00 -0.68 0.00 0.00 178.15 177.55 2kb2 n GLN 69 N -5.45 0.02 -0.36 2.37 6.02 -1.07 0.07 117.38 118.98 2kb2 n GLN 69 Ca -0.13 0.52 0.07 0.00 -0.01 0.00 0.00 57.00 57.46 2kb2 n GLN 69 Cb 0.40 -1.58 0.24 0.00 1.02 0.00 0.00 30.24 30.32 2kb2 n GLN 69 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 2kb2 n SER 70 N -1.63 3.16 -4.89 1.08 2.88 -1.03 -4.91 113.62 108.28 2kb2 n SER 70 Ca -0.00 -2.17 -0.34 0.00 -1.33 0.00 0.00 58.87 55.03 2kb2 n SER 70 Cb 0.01 -0.42 -0.05 0.00 -0.75 0.00 0.00 64.21 63.00 2kb2 n SER 70 CO 0.00 0.00 0.00 -1.81 -1.23 0.00 0.00 175.04 172.00 2kb2 s ASP 71 N -0.88 6.49 0.16 -3.46 1.01 0.11 -5.02 116.67 115.07 2kb2 s ASP 71 Ca 0.35 0.55 0.15 0.00 0.71 0.00 0.00 52.55 54.31 2kb2 s ASP 71 Cb 0.21 -2.08 -0.06 0.00 1.01 0.00 0.00 42.92 42.00 2kb2 s ASP 71 CO 0.20 0.25 1.12 1.55 0.21 0.00 0.00 175.17 178.51 2kb2 h PRO 72 N 3.95 0.00 0.00 8.23 0.13 -1.91 -3.41 132.00 139.00 2kb2 h PRO 72 Ca -0.50 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 2kb2 h PRO 72 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 2kb2 h PRO 72 CO 0.66 0.44 0.00 -2.13 -0.23 0.00 0.00 178.00 176.74 2kb2 n ARG 73 N -3.07 0.00 0.00 0.86 0.63 -1.26 -4.75 116.66 109.07 2kb2 n ARG 73 Ca -0.04 0.15 0.00 0.00 -0.92 0.00 0.00 57.85 57.04 2kb2 n ARG 73 Cb 0.81 -1.02 0.00 0.00 0.45 0.00 0.00 32.46 32.70 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 -0.69 -0.52 0.15 -0.14 1.44 -1.26 -3.42 115.22 110.77 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 -1.31 -1.40 1.85 -1.26 -4.67 116.66 109.87 2kb2 n ARG 75 Ca 0.00 0.00 -0.22 0.00 -1.00 0.00 0.00 57.85 56.63 2kb2 n ARG 75 Cb 0.00 0.00 -0.10 0.00 -1.05 0.00 0.00 32.46 31.31 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 -3.10 6.05 -4.70 2.89 -0.08 -1.26 -4.84 116.55 111.51 2kb2 n ASP 76 Ca 0.00 -2.91 -0.42 0.00 -1.51 0.00 0.00 54.79 49.95 2kb2 n ASP 76 Cb 0.00 -1.31 -0.03 0.00 2.34 0.00 0.00 41.12 42.12 2kb2 n ASP 76 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 2kb2 s VAL 77 N -0.90 3.27 -0.02 5.18 0.11 -1.25 -4.07 120.40 122.71 2kb2 s VAL 77 Ca 0.62 0.80 0.02 0.00 -2.93 0.00 0.00 61.98 60.49 2kb2 s VAL 77 Cb 0.35 -3.51 0.00 0.00 -1.53 0.00 0.00 36.38 31.69 2kb2 s VAL 77 CO -0.13 0.03 -0.08 0.54 -3.33 0.00 0.00 175.10 172.13 2kb2 s VAL 78 N 1.89 0.66 -0.29 2.04 0.11 -0.01 -4.92 120.40 119.89 2kb2 s VAL 78 Ca 0.68 -0.30 -0.28 0.00 -2.93 0.00 0.00 61.98 59.14 2kb2 s VAL 78 Cb -0.37 -0.59 -0.03 0.00 -1.53 0.00 0.00 36.38 33.86 2kb2 s VAL 78 CO 0.30 0.21 1.85 -0.70 -3.33 0.00 0.00 175.10 173.43 2kb2 s GLU 79 N 0.17 3.38 -0.06 1.54 2.12 -1.26 -1.85 118.70 122.74 2kb2 s GLU 79 Ca -0.02 1.59 -0.03 0.00 0.36 0.00 0.00 54.97 56.87 2kb2 s GLU 79 Cb -0.07 -4.21 -0.27 0.00 0.26 0.00 0.00 34.13 29.84 2kb2 s GLU 79 CO 0.00 -1.81 0.61 -0.07 -0.54 0.00 0.00 175.26 173.46 2kb2 h LEU 80 N 13.59 0.37 -8.31 2.70 4.07 0.72 -3.48 115.31 124.97 2kb2 h LEU 80 Ca -0.35 -0.66 -0.10 0.00 0.08 0.00 0.00 57.88 56.84 2kb2 h LEU 80 Cb 1.18 -0.12 -0.09 0.00 1.08 0.00 0.00 40.66 42.71 2kb2 h LEU 80 CO 1.01 1.58 -0.18 -0.32 -1.08 0.00 0.00 178.44 179.45 2kb2 s MET 81 N -2.59 1.57 0.00 1.13 1.75 0.12 -4.89 119.30 116.38 2kb2 s MET 81 Ca -0.14 -1.36 0.00 0.00 -1.25 0.00 0.00 55.69 52.94 2kb2 s MET 81 Cb 0.07 0.45 0.00 0.00 2.84 0.00 0.00 34.83 38.18 2kb2 s MET 81 CO 0.82 -0.64 0.00 -2.13 -0.65 0.00 0.00 175.02 172.42 2kb2 n ARG 82 N -0.39 0.00 -4.48 4.11 0.63 -0.91 -1.02 116.66 114.60 2kb2 n ARG 82 Ca -0.01 0.00 -0.21 0.00 -0.92 0.00 0.00 57.85 56.71 2kb2 n ARG 82 Cb 0.62 0.00 -0.14 0.00 0.45 0.00 0.00 32.46 33.39 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 1.78 0.86 6.15 2.15 -0.98 -4.85 116.67 121.78 2kb2 s ASP 83 Ca 0.00 -0.41 -0.11 0.00 0.43 0.00 0.00 52.55 52.46 2kb2 s ASP 83 Cb 0.00 -0.14 0.11 0.00 -0.30 0.00 0.00 42.92 42.59 2kb2 s ASP 83 CO 0.00 0.09 1.17 -0.31 -0.17 0.00 0.00 175.17 175.95 2kb2 s TYR 84 N -0.69 1.77 0.35 -5.34 2.02 -1.26 0.81 117.35 115.01 2kb2 s TYR 84 Ca 0.04 1.73 -0.08 0.00 -0.37 0.00 0.00 57.07 58.38 2kb2 s TYR 84 Cb -0.07 -3.38 0.02 0.00 -0.40 0.00 0.00 41.96 38.13 2kb2 s TYR 84 CO 0.01 -2.74 0.59 -1.12 -1.57 0.00 0.00 175.55 170.72 2kb2 s SER 85 N -2.51 0.49 0.00 2.29 0.01 0.63 -4.72 113.70 109.89 2kb2 s SER 85 Ca 0.69 -1.30 0.00 0.00 1.31 0.00 0.00 55.95 56.65 2kb2 s SER 85 Cb -0.25 0.73 0.00 0.00 0.21 0.00 0.00 66.02 66.71 2kb2 s SER 85 CO 0.55 -1.43 0.45 0.00 0.41 0.00 0.00 173.24 173.22 2kb2 n ALA 86 N -0.54 1.16 -3.80 1.44 0.00 -1.26 -2.05 120.51 115.46 2kb2 n ALA 86 Ca -0.03 -0.45 -0.06 0.00 0.00 0.00 0.00 53.44 52.89 2kb2 n ALA 86 Cb 0.61 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 20.04 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 -0.20 -0.20 -0.11 0.00 1.13 -1.26 -4.97 117.35 111.74 2kb2 s TYR 87 Ca 0.00 -0.20 -0.01 0.00 -1.41 0.00 0.00 57.07 55.45 2kb2 s TYR 87 Cb 0.00 0.68 -0.02 0.00 -1.10 0.00 0.00 41.96 41.52 2kb2 s TYR 87 CO 0.00 -1.10 -0.09 1.03 -2.51 0.00 0.00 175.55 172.88 2kb2 s ARG 88 N -3.74 3.20 -0.17 -3.49 0.52 -1.26 -4.96 118.95 109.06 2kb2 s ARG 88 Ca 0.11 -0.60 -0.19 0.00 -0.52 0.00 0.00 55.73 54.53 2kb2 s ARG 88 Cb -0.04 -2.68 -0.16 0.00 0.52 0.00 0.00 34.95 32.59 2kb2 s ARG 88 CO 0.04 0.39 0.24 0.00 0.02 0.00 0.00 175.30 175.99 2kb2 h ARG 89 N 6.15 0.00 -1.67 3.54 -0.00 -1.98 -3.36 114.38 117.05 2kb2 h ARG 89 Ca -0.36 0.00 -0.24 0.00 -0.50 0.00 0.00 59.98 58.88 2kb2 h ARG 89 Cb 1.19 0.00 -0.10 0.00 0.00 0.00 0.00 29.97 31.06 2kb2 h ARG 89 CO 0.56 0.72 0.29 1.19 0.00 0.00 0.00 179.97 182.73 2kb2 n PHE 90 N -4.54 1.10 0.15 3.04 3.01 -1.26 -3.75 117.46 115.22 2kb2 n PHE 90 Ca -0.20 -1.70 0.18 0.00 1.01 0.00 0.00 57.45 56.74 2kb2 n PHE 90 Cb 0.50 -0.85 0.78 0.00 -0.01 0.00 0.00 39.48 39.90 2kb2 n PHE 90 CO 0.00 0.00 0.00 1.12 1.01 0.00 0.00 176.76 178.89 2kb2 h HIS 91 N 1.39 0.00 -0.46 1.38 2.07 -1.94 0.24 115.15 117.83 2kb2 h HIS 91 Ca 0.21 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.73 2kb2 h HIS 91 Cb 0.94 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.92 2kb2 h HIS 91 CO 0.67 0.00 0.00 0.41 -3.07 0.00 0.00 177.93 175.94 2kb2 n GLY 92 N -1.47 1.22 3.14 6.13 0.00 -1.26 -4.71 105.19 108.24 2kb2 n GLY 92 Ca 0.04 -0.52 0.03 0.00 0.00 0.00 0.00 46.02 45.57 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 -1.39 -0.98 0.25 2.61 2.01 0.84 -5.04 115.64 113.94 2kb2 s THR 93 Ca 0.33 -0.01 -0.06 0.00 0.31 0.00 0.00 61.69 62.26 2kb2 s THR 93 Cb 0.17 -1.00 0.25 0.00 0.01 0.00 0.00 72.50 71.93 2kb2 s THR 93 CO 0.23 -0.01 1.91 1.23 -0.69 0.00 0.00 174.62 177.29 2kb2 h GLY 94 N 8.01 1.38 -5.02 4.40 0.00 -1.82 -3.22 103.07 106.80 2kb2 h GLY 94 Ca -0.07 -0.49 -0.02 0.00 0.00 0.00 0.00 47.33 46.75 2kb2 h GLY 94 CO 0.18 0.46 0.11 -0.29 0.00 0.00 0.00 176.54 177.00 2kb2 s MET 95 N -6.10 0.79 -0.28 4.80 1.75 -1.24 -0.63 119.30 118.39 2kb2 s MET 95 Ca -0.13 1.05 0.01 0.00 -1.25 0.00 0.00 55.69 55.37 2kb2 s MET 95 Cb 0.18 0.33 0.16 0.00 2.84 0.00 0.00 34.83 38.34 2kb2 s MET 95 CO 0.81 -0.11 0.45 0.50 -0.65 0.00 0.00 175.02 176.02 2kb2 s ARG 96 N 0.72 0.44 0.89 4.11 3.00 -1.23 -4.55 118.95 122.32 2kb2 s ARG 96 Ca -0.03 0.44 -0.10 0.00 -1.00 0.00 0.00 55.73 55.04 2kb2 s ARG 96 Cb -0.05 -0.16 0.13 0.00 0.00 0.00 0.00 34.95 34.87 2kb2 s ARG 96 CO -0.05 -0.86 1.14 -1.50 0.00 0.00 0.00 175.30 174.03 2kb2 s ILE 97 N 2.63 2.31 -0.38 4.11 -1.16 -1.26 -1.38 121.20 126.07 2kb2 s ILE 97 Ca 0.12 0.10 0.01 0.00 -0.51 0.00 0.00 60.65 60.37 2kb2 s ILE 97 Cb -0.13 -2.21 0.13 0.00 0.61 0.00 0.00 42.46 40.85 2kb2 s ILE 97 CO -0.24 -0.13 0.21 -0.22 -2.81 0.00 0.00 174.94 171.75 2kb2 s LEU 98 N -6.48 1.77 -0.93 8.50 2.96 0.18 -4.74 118.68 119.94 2kb2 s LEU 98 Ca 0.66 -2.27 -0.25 0.00 -0.22 0.00 0.00 54.13 52.05 2kb2 s LEU 98 Cb -0.22 -0.70 -0.12 0.00 0.50 0.00 0.00 46.19 45.66 2kb2 s LEU 98 CO 0.58 -0.31 2.15 -0.62 -1.32 0.00 0.00 176.35 176.83 2kb2 s ASP 99 N 0.88 4.32 0.64 3.68 2.15 -1.26 -1.40 116.67 125.69 2kb2 s ASP 99 Ca 0.17 -0.60 0.34 0.00 0.43 0.00 0.00 52.55 52.89 2kb2 s ASP 99 Cb -0.23 -2.57 1.87 0.00 -0.30 0.00 0.00 42.92 41.69 2kb2 s ASP 99 CO -0.03 -3.61 2.10 -0.07 -0.17 0.00 0.00 175.17 173.38 2kb2 h LEU 100 N 20.50 0.00 -1.44 -1.34 3.38 0.39 0.22 115.31 137.03 2kb2 h LEU 100 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 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 1.10 0.00 0.11 0.03 0.09 0.00 0.00 178.44 179.77 2kb2 h ARG 101 N 0.00 0.00 0.03 1.13 2.47 -1.84 -1.45 114.38 114.72 2kb2 h ARG 101 Ca 0.03 0.00 -0.36 0.00 -1.26 0.00 0.00 59.98 58.39 2kb2 h ARG 101 Cb 0.45 0.00 -0.05 0.00 -1.65 0.00 0.00 29.97 28.73 2kb2 h ARG 101 CO -0.00 0.00 -2.01 1.28 0.56 0.00 0.00 179.97 179.80 2kb2 n LEU 102 N -2.30 2.29 0.00 3.04 4.77 0.78 -5.01 117.00 120.56 2kb2 n LEU 102 Ca -0.01 0.24 0.00 0.00 -0.03 0.00 0.00 56.01 56.21 2kb2 n LEU 102 Cb 0.14 -0.96 0.00 0.00 -2.33 0.00 0.00 43.42 40.28 2kb2 n LEU 102 CO 0.10 0.62 0.00 0.49 -1.33 0.00 0.00 177.39 177.27 2kb2 n PHE 103 N -3.93 0.00 -2.48 -1.77 3.01 -0.55 -5.07 117.46 106.67 2kb2 n PHE 103 Ca -0.41 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.05 2kb2 n PHE 103 Cb 0.89 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.36 2kb2 n PHE 103 CO 0.00 0.00 0.00 -0.85 1.01 0.00 0.00 176.76 176.92 2kb2 n GLU 104 N 0.00 0.00 0.47 -1.08 0.28 -1.26 -4.85 120.64 114.20 2kb2 n GLU 104 Ca 0.00 0.00 -0.19 0.00 -0.16 0.00 0.00 57.16 56.81 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 0.08 0.00 3.84 2.02 -1.94 0.16 112.91 117.07 2kb2 h THR 105 Ca 0.00 -0.06 -0.11 0.00 0.77 0.00 0.00 66.41 67.00 2kb2 h THR 105 Cb 0.00 0.09 -0.02 0.00 -1.74 0.00 0.00 68.15 66.48 2kb2 h THR 105 CO 0.00 0.00 -0.55 -0.78 0.37 0.00 0.00 175.52 174.57 2kb2 h ASP 106 N -1.25 0.00 -0.06 4.18 1.82 -1.98 -2.67 116.42 116.47 2kb2 h ASP 106 Ca -0.12 0.00 -0.03 0.00 -0.39 0.00 0.00 57.03 56.49 2kb2 h ASP 106 Cb 0.92 0.00 -0.00 0.00 0.68 0.00 0.00 39.33 40.93 2kb2 h ASP 106 CO 0.20 0.55 -0.09 1.23 -1.61 0.00 0.00 179.24 179.51 2kb2 h GLY 107 N 2.94 0.18 0.72 -0.78 0.00 -1.92 -2.23 103.07 101.97 2kb2 h GLY 107 Ca -0.01 -0.20 -0.01 0.00 0.00 0.00 0.00 47.33 47.11 2kb2 h GLY 107 CO 0.07 0.18 -0.00 0.00 0.00 0.00 0.00 176.54 176.79 2kb2 h ALA 108 N 0.50 0.08 -0.58 3.60 0.00 -0.75 -2.17 119.26 119.94 2kb2 h ALA 108 Ca 0.00 -0.18 0.10 0.00 0.00 0.00 0.00 54.91 54.84 2kb2 h ALA 108 Cb 0.65 -0.02 -0.08 0.00 0.00 0.00 0.00 17.79 18.34 2kb2 h ALA 108 CO 0.02 -0.24 0.17 1.25 0.00 0.00 0.00 179.25 180.45 2kb2 h LEU 109 N -0.20 0.10 -1.56 0.00 5.85 -1.57 0.18 115.31 118.12 2kb2 h LEU 109 Ca 0.02 0.09 0.06 0.00 0.84 0.00 0.00 57.88 58.89 2kb2 h LEU 109 Cb 0.35 0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.45 2kb2 h LEU 109 CO 0.00 0.07 0.38 -0.33 -0.34 0.00 0.00 178.44 178.22 2kb2 h GLU 110 N 0.32 0.53 0.45 1.25 4.39 -1.28 -2.38 114.58 117.86 2kb2 h GLU 110 Ca 0.30 -0.03 -0.01 0.00 0.34 0.00 0.00 59.36 59.96 2kb2 h GLU 110 Cb 0.40 -0.12 -0.02 0.00 -0.10 0.00 0.00 28.75 28.92 2kb2 h GLU 110 CO -0.34 0.35 -0.39 0.93 -1.16 0.00 0.00 179.01 178.39 2kb2 h GLU 111 N 0.54 -0.81 -0.69 2.33 4.39 0.02 0.14 114.58 120.50 2kb2 h GLU 111 Ca 0.25 0.06 0.14 0.00 0.34 0.00 0.00 59.36 60.14 2kb2 h GLU 111 Cb 0.28 0.18 -0.13 0.00 -0.10 0.00 0.00 28.75 28.98 2kb2 h GLU 111 CO -0.07 -0.54 -0.17 0.82 -1.16 0.00 0.00 179.01 177.89 2kb2 h ILE 112 N -0.84 0.31 -0.33 3.13 5.03 -1.07 -1.25 117.51 122.49 2kb2 h ILE 112 Ca -0.04 -0.00 -0.02 0.00 -0.12 0.00 0.00 64.86 64.68 2kb2 h ILE 112 Cb 0.73 0.31 -0.01 0.00 -3.03 0.00 0.00 36.82 34.82 2kb2 h ILE 112 CO -0.03 0.00 0.13 -0.07 -0.68 0.00 0.00 178.15 177.50 2kb2 h LEU 113 N 0.00 0.45 -1.93 1.44 4.07 -1.21 -1.54 115.31 116.59 2kb2 h LEU 113 Ca 0.33 -0.16 0.05 0.00 0.08 0.00 0.00 57.88 58.18 2kb2 h LEU 113 Cb 0.51 -0.12 -0.01 0.00 1.08 0.00 0.00 40.66 42.12 2kb2 h LEU 113 CO -0.71 0.49 0.17 0.08 -1.08 0.00 0.00 178.44 177.39 2kb2 h ARG 114 N 0.38 0.08 -0.03 1.13 0.11 0.46 -2.50 114.38 114.01 2kb2 h ARG 114 Ca 0.11 -0.00 -0.00 0.00 0.10 0.00 0.00 59.98 60.18 2kb2 h ARG 114 Cb 0.18 -0.02 -0.00 0.00 1.11 0.00 0.00 29.97 31.24 2kb2 h ARG 114 CO -0.01 0.05 -0.04 1.97 0.10 0.00 0.00 179.97 182.05 2kb2 n PHE 115 N -4.48 0.12 -4.20 4.08 1.16 -0.94 -5.02 117.46 108.17 2kb2 n PHE 115 Ca 0.02 -1.03 -0.12 0.00 -1.87 0.00 0.00 57.45 54.45 2kb2 n PHE 115 Cb 0.26 -0.18 -0.10 0.00 -1.61 0.00 0.00 39.48 37.85 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 -2.80 1.28 -0.65 5.98 0.01 -0.59 -4.85 113.70 112.09 2kb2 s SER 116 Ca 0.34 -1.04 0.05 0.00 1.31 0.00 0.00 55.95 56.61 2kb2 s SER 116 Cb 0.29 0.08 0.19 0.00 0.21 0.00 0.00 66.02 66.79 2kb2 s SER 116 CO 0.03 -0.46 0.53 0.35 0.41 0.00 0.00 173.24 174.10 2kb2 n THR 117 N -0.11 1.37 -1.31 1.44 -2.24 -1.25 -4.78 114.28 107.41 2kb2 n THR 117 Ca -0.11 -4.75 -0.39 0.00 -2.27 0.00 0.00 64.05 56.54 2kb2 n THR 117 Cb 0.61 -2.10 -0.03 0.00 -2.10 0.00 0.00 70.33 66.72 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 1.79 2.43 0.89 4.78 -1.74 -1.26 -4.66 117.46 119.70 2kb2 n PHE 118 Ca 0.23 -3.05 0.00 0.00 -0.56 0.00 0.00 57.45 54.07 2kb2 n PHE 118 Cb 0.39 -2.47 0.00 0.00 1.52 0.00 0.00 39.48 38.91 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 3.61 1.53 2.15 4.97 0.00 -1.26 -4.86 105.19 111.32 2kb2 n GLY 119 Ca 0.77 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.58 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 0.28 0.00 0.27 1.61 0.24 -1.26 -4.97 118.33 114.49 2kb2 n VAL 120 Ca 0.00 0.00 -0.11 0.00 -2.04 0.00 0.00 64.34 62.19 2kb2 n VAL 120 Cb 0.32 -0.66 -0.05 0.00 -1.47 0.00 0.00 33.84 31.97 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 -3.12 0.00 -2.10 3.34 2.02 -2.03 -3.45 112.91 107.57 2kb2 h THR 121 Ca -0.27 -0.43 -0.24 0.00 0.77 0.00 0.00 66.41 66.24 2kb2 h THR 121 Cb 0.90 0.00 -0.32 0.00 -1.74 0.00 0.00 68.15 66.99 2kb2 h THR 121 CO 0.16 0.00 -0.56 -1.61 0.37 0.00 0.00 175.52 173.88 2kb2 s GLU 122 N -3.94 0.31 0.00 6.66 2.02 -1.26 -5.00 118.70 117.49 2kb2 s GLU 122 Ca -0.11 0.23 0.07 0.00 0.02 0.00 0.00 54.97 55.18 2kb2 s GLU 122 Cb 0.01 -0.69 0.34 0.00 0.10 0.00 0.00 34.13 33.88 2kb2 s GLU 122 CO 0.32 -0.79 1.19 -0.35 0.02 0.00 0.00 175.26 175.65 2kb2 n PRO 123 N 5.34 0.04 0.00 0.39 -0.04 -1.26 -3.35 135.00 136.12 2kb2 n PRO 123 Ca -0.03 0.32 0.00 0.00 -0.04 0.00 0.00 63.50 63.75 2kb2 n PRO 123 Cb 0.49 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.45 2kb2 n PRO 123 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 2kb2 n VAL 124 N -1.42 0.00 0.87 0.52 0.31 -1.26 -2.94 118.33 114.41 2kb2 n VAL 124 Ca 0.02 1.30 0.08 0.00 -0.01 0.00 0.00 64.34 65.74 2kb2 n VAL 124 Cb 0.08 -2.27 0.45 0.00 -0.91 0.00 0.00 33.84 31.19 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 -1.45 0.00 -4.49 4.52 0.23 -1.23 -4.78 115.26 108.06 2kb2 n ASN 125 Ca 0.00 -0.10 -0.47 0.00 -0.53 0.00 0.00 54.58 53.47 2kb2 n ASN 125 Cb 0.00 -0.21 -0.06 0.00 -2.08 0.00 0.00 39.78 37.43 2kb2 n ASN 125 CO 0.00 0.00 0.00 -0.67 -0.93 0.00 0.00 177.26 175.66 2kb2 n ASP 126 N -1.21 2.33 -0.23 0.53 2.03 -1.15 -4.81 116.55 114.03 2kb2 n ASP 126 Ca 0.09 0.27 0.10 0.00 0.52 0.00 0.00 54.79 55.78 2kb2 n ASP 126 Cb 0.12 -1.34 0.38 0.00 -0.72 0.00 0.00 41.12 39.55 2kb2 n ASP 126 CO 0.00 0.00 0.00 0.03 -1.92 0.00 0.00 177.20 175.31 2kb2 h ARG 127 N 13.65 0.67 -0.55 -0.67 3.08 -1.89 -0.72 114.38 127.96 2kb2 h ARG 127 Ca -0.29 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 59.71 2kb2 h ARG 127 Cb 1.30 -0.15 -0.03 0.00 0.08 0.00 0.00 29.97 31.17 2kb2 h ARG 127 CO 1.03 0.45 0.31 1.98 -1.07 0.00 0.00 179.97 182.67 2kb2 h MET 128 N 0.69 0.77 0.00 0.04 1.85 -1.95 -2.04 114.93 114.30 2kb2 h MET 128 Ca 0.40 -0.09 -0.07 0.00 -0.61 0.00 0.00 59.70 59.32 2kb2 h MET 128 Cb 0.58 -0.15 -0.01 0.00 0.43 0.00 0.00 31.60 32.44 2kb2 h MET 128 CO -0.16 0.59 -0.35 0.35 -0.40 0.00 0.00 176.91 176.94 2kb2 h PHE 129 N 0.75 0.00 -0.41 1.39 3.57 -1.47 -0.06 116.94 120.70 2kb2 h PHE 129 Ca 0.20 0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.71 2kb2 h PHE 129 Cb 0.04 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 38.75 2kb2 h PHE 129 CO -0.01 0.35 0.25 0.00 -2.23 0.00 0.00 178.31 176.67 2kb2 h ARG 130 N 0.00 0.49 -0.02 1.11 2.47 -0.51 0.54 114.38 118.46 2kb2 h ARG 130 Ca -0.00 -0.03 -0.02 0.00 -1.26 0.00 0.00 59.98 58.67 2kb2 h ARG 130 Cb 0.68 -0.11 0.00 0.00 -1.65 0.00 0.00 29.97 28.89 2kb2 h ARG 130 CO 0.05 0.32 -0.05 -0.07 0.56 0.00 0.00 179.97 180.78 2kb2 h LEU 131 N 0.50 0.07 -0.41 3.04 3.38 -1.23 -2.05 115.31 118.62 2kb2 h LEU 131 Ca 0.16 -0.62 0.08 0.00 0.09 0.00 0.00 57.88 57.59 2kb2 h LEU 131 Cb -0.00 -0.02 -0.09 0.00 0.09 0.00 0.00 40.66 40.64 2kb2 h LEU 131 CO -0.07 0.68 -0.33 0.25 0.09 0.00 0.00 178.44 179.06 2kb2 h LEU 132 N -0.53 -1.11 -0.93 1.67 5.85 -0.86 0.15 115.31 119.55 2kb2 h LEU 132 Ca -0.00 0.20 -0.01 0.00 0.84 0.00 0.00 57.88 58.90 2kb2 h LEU 132 Cb 0.68 0.52 -0.00 0.00 0.37 0.00 0.00 40.66 42.22 2kb2 h LEU 132 CO 0.01 -0.32 -0.05 0.77 -0.34 0.00 0.00 178.44 178.51 2kb2 h SER 133 N -0.25 0.00 0.75 1.25 4.64 -0.98 -1.78 113.55 117.17 2kb2 h SER 133 Ca 0.18 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 61.34 2kb2 h SER 133 Cb 0.54 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.61 2kb2 h SER 133 CO -0.55 0.05 -0.74 0.00 -0.87 0.00 0.00 176.83 174.71 2kb2 h ALA 134 N 1.95 0.77 0.05 5.18 0.00 -0.14 0.19 119.26 127.26 2kb2 h ALA 134 Ca -0.00 -0.68 -0.27 0.00 0.00 0.00 0.00 54.91 53.96 2kb2 h ALA 134 Cb 0.72 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.37 2kb2 h ALA 134 CO 0.01 0.93 -1.39 0.35 0.00 0.00 0.00 179.25 179.15 2kb2 h PHE 135 N 0.00 0.17 -0.10 0.00 3.57 -0.61 0.25 116.94 120.21 2kb2 h PHE 135 Ca -0.01 -0.13 -0.14 0.00 3.53 0.00 0.00 57.97 61.22 2kb2 h PHE 135 Cb 1.32 -0.01 -0.01 0.00 2.79 0.00 0.00 35.95 40.04 2kb2 h PHE 135 CO 0.00 1.15 -0.57 0.82 -2.23 0.00 0.00 178.31 177.48 2kb2 h ILE 136 N 0.03 1.36 0.00 1.41 5.03 -1.26 0.10 117.51 124.18 2kb2 h ILE 136 Ca -0.17 -1.88 -0.03 0.00 -0.12 0.00 0.00 64.86 62.66 2kb2 h ILE 136 Cb 1.93 1.90 -0.00 0.00 -3.03 0.00 0.00 36.82 37.62 2kb2 h ILE 136 CO 0.13 0.56 -0.48 0.00 -0.68 0.00 0.00 178.15 177.68 2kb2 h ALA 137 N 1.16 0.03 0.00 1.87 0.00 -0.67 -3.32 119.26 118.33 2kb2 h ALA 137 Ca 0.00 -0.49 -0.23 0.00 0.00 0.00 0.00 54.91 54.19 2kb2 h ALA 137 Cb 1.07 0.42 -0.04 0.00 0.00 0.00 0.00 17.79 19.23 2kb2 h ALA 137 CO 0.09 0.41 -1.92 -3.47 0.00 0.00 0.00 179.25 174.37 2kb2 n ASP 138 N -4.63 0.39 0.32 0.00 2.03 0.82 -4.18 116.55 111.31 2kb2 n ASP 138 Ca -0.09 0.18 0.19 0.00 0.52 0.00 0.00 54.79 55.58 2kb2 n ASP 138 Cb 0.27 0.76 0.99 0.00 -0.72 0.00 0.00 41.12 42.42 2kb2 n ASP 138 CO 0.00 0.00 0.00 1.23 -1.92 0.00 0.00 177.20 176.51 2kb2 h GLY 139 N 3.84 0.00 2.00 0.27 0.00 -0.16 0.61 103.07 109.64 2kb2 h GLY 139 Ca -0.30 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 46.90 2kb2 h GLY 139 CO 0.04 0.00 -0.64 -1.33 0.00 0.00 0.00 176.54 174.61 2kb2 h GLY 140 N 0.00 0.00 -5.90 4.60 0.00 -1.71 -3.46 103.07 96.60 2kb2 h GLY 140 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2kb2 h GLY 140 CO 0.00 0.00 -1.00 0.54 0.00 0.00 0.00 176.54 176.08 2kb2 n ARG 141 N -3.33 -1.52 -0.84 4.80 5.12 0.20 -4.93 116.66 116.16 2kb2 n ARG 141 Ca 0.01 1.55 -0.30 0.00 -1.93 0.00 0.00 57.85 57.19 2kb2 n ARG 141 Cb 0.76 -2.67 0.18 0.00 -1.16 0.00 0.00 32.46 29.57 2kb2 n ARG 141 CO 0.00 0.00 0.00 1.52 -1.93 0.00 0.00 177.63 177.22 2kb2 s TYR 142 N -1.23 1.80 -0.83 -1.55 1.13 -1.26 -4.96 117.35 110.44 2kb2 s TYR 142 Ca -0.00 1.40 -0.13 0.00 -1.41 0.00 0.00 57.07 56.93 2kb2 s TYR 142 Cb 0.00 -3.19 0.22 0.00 -1.10 0.00 0.00 41.96 37.89 2kb2 s TYR 142 CO 0.30 -2.98 0.77 0.00 -2.51 0.00 0.00 175.55 171.13 2kb2 n LEU 144 N 3.87 -1.16 0.00 0.00 7.99 -1.26 -4.98 117.00 121.46 2kb2 n LEU 144 Ca 0.14 2.16 -0.22 0.00 -0.01 0.00 0.00 56.01 58.09 2kb2 n LEU 144 Cb 0.46 -2.84 0.13 0.00 -0.11 0.00 0.00 43.42 41.06 2kb2 n LEU 144 CO 0.34 -1.05 0.58 -0.81 -1.51 0.00 0.00 177.39 174.94 2kb2 n PRO 145 N -3.09 -0.38 -1.74 3.23 -0.04 -1.26 -5.03 135.00 126.68 2kb2 n PRO 145 Ca -0.03 -2.18 -0.42 0.00 -0.04 0.00 0.00 63.50 60.83 2kb2 n PRO 145 Cb 0.45 -0.78 -0.01 0.00 -0.04 0.00 0.00 33.50 33.12 2kb2 n PRO 145 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 2kb2 n GLU 146 N -2.88 2.46 -2.92 0.54 0.28 -1.26 -4.94 120.64 111.91 2kb2 n GLU 146 Ca 0.14 0.86 -0.42 0.00 -0.16 0.00 0.00 57.16 57.59 2kb2 n GLU 146 Cb 0.51 -2.55 -0.05 0.00 1.43 0.00 0.00 31.44 30.78 2kb2 n GLU 146 CO 0.00 0.00 0.00 -1.25 -0.16 0.00 0.00 177.13 175.72 2kb2 s PRO 147 N -1.69 3.76 0.00 3.44 0.04 -1.26 -5.31 135.00 133.98 2kb2 s PRO 147 Ca 0.56 0.36 0.10 0.00 0.04 0.00 0.00 61.00 62.06 2kb2 s PRO 147 Cb -0.52 -3.81 0.59 0.00 0.04 0.00 0.00 34.50 30.80 2kb2 s PRO 147 CO 0.60 -0.88 1.03 1.47 0.04 0.00 0.00 177.00 179.26