#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 1.95 -1.57 1.61 2.13 -1.26 -5.04 120.64 118.45 2kb2 n GLU 2 Ca 0.00 -3.69 -0.17 0.00 0.66 0.00 0.00 57.16 53.96 2kb2 n GLU 2 Cb 0.00 -1.60 -0.06 0.00 0.27 0.00 0.00 31.44 30.05 2kb2 n GLU 2 CO 0.00 0.00 0.00 -0.59 -0.41 0.00 0.00 177.13 176.13 2kb2 s PHE 3 N -3.28 1.13 0.26 4.31 -0.71 -1.26 -4.73 117.98 113.71 2kb2 s PHE 3 Ca 0.34 1.93 0.00 0.00 -1.04 0.00 0.00 56.93 58.16 2kb2 s PHE 3 Cb 0.44 -3.46 0.00 0.00 -1.21 0.00 0.00 43.02 38.79 2kb2 s PHE 3 CO -0.04 -1.70 0.00 -1.33 -1.34 0.00 0.00 175.22 170.81 2kb2 n MET 4 N 8.85 -2.16 -4.22 1.99 2.81 -1.26 -4.88 117.12 118.25 2kb2 n MET 4 Ca 0.45 1.45 -0.24 0.00 -1.81 0.00 0.00 57.70 57.55 2kb2 n MET 4 Cb 0.45 -2.64 -0.06 0.00 -0.71 0.00 0.00 33.22 30.25 2kb2 n MET 4 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 2kb2 n LEU 5 N -3.30 0.00 -3.49 4.03 4.32 0.11 -4.55 117.00 114.11 2kb2 n LEU 5 Ca 0.00 -2.83 -0.13 0.00 -0.02 0.00 0.00 56.01 53.03 2kb2 n LEU 5 Cb 0.62 0.80 -0.04 0.00 -1.62 0.00 0.00 43.42 43.19 2kb2 n LEU 5 CO 0.01 -0.43 0.35 -0.89 -1.22 0.00 0.00 177.39 175.21 2kb2 s THR 6 N -2.87 0.01 -0.40 -5.08 2.01 0.59 -0.45 115.64 109.45 2kb2 s THR 6 Ca 0.15 -0.12 0.02 0.00 0.31 0.00 0.00 61.69 62.05 2kb2 s THR 6 Cb 0.01 -1.01 0.12 0.00 0.01 0.00 0.00 72.50 71.62 2kb2 s THR 6 CO 0.10 -0.07 0.17 -0.89 -0.69 0.00 0.00 174.62 173.25 2kb2 s THR 7 N -3.09 1.55 -0.15 -0.82 2.01 0.26 0.15 115.64 115.56 2kb2 s THR 7 Ca -0.02 -2.32 -0.18 0.00 0.31 0.00 0.00 61.69 59.49 2kb2 s THR 7 Cb -0.00 -2.12 -0.04 0.00 0.01 0.00 0.00 72.50 70.35 2kb2 s THR 7 CO -0.07 -0.78 0.47 -0.22 -0.69 0.00 0.00 174.62 173.33 2kb2 s LEU 8 N 0.69 4.23 0.09 4.42 0.20 0.16 -2.13 118.68 126.35 2kb2 s LEU 8 Ca 0.14 0.75 0.08 0.00 0.69 0.00 0.00 54.13 55.79 2kb2 s LEU 8 Cb -0.22 -2.67 -0.03 0.00 -0.43 0.00 0.00 46.19 42.84 2kb2 s LEU 8 CO -0.08 -0.04 -0.22 -0.63 -0.29 0.00 0.00 176.35 175.09 2kb2 s ILE 9 N 0.91 1.79 -0.15 6.68 1.01 -0.12 -0.29 121.20 131.02 2kb2 s ILE 9 Ca 0.25 -1.46 -0.25 0.00 0.00 0.00 0.00 60.65 59.18 2kb2 s ILE 9 Cb -0.15 -1.59 0.06 0.00 0.01 0.00 0.00 42.46 40.79 2kb2 s ILE 9 CO 0.10 0.06 0.63 -0.72 0.00 0.00 0.00 174.94 175.00 2kb2 s TYR 10 N -1.03 -0.64 -0.09 3.97 1.13 -0.48 0.13 117.35 120.35 2kb2 s TYR 10 Ca 0.08 1.37 0.04 0.00 -1.41 0.00 0.00 57.07 57.15 2kb2 s TYR 10 Cb -0.10 0.29 -0.01 0.00 -1.10 0.00 0.00 41.96 41.05 2kb2 s TYR 10 CO 0.04 -0.45 -0.23 -0.98 -2.51 0.00 0.00 175.55 171.41 2kb2 s ARG 11 N -0.41 2.89 0.00 -3.49 1.70 -0.98 -0.33 118.95 118.34 2kb2 s ARG 11 Ca -0.06 -0.87 0.00 0.00 -0.47 0.00 0.00 55.73 54.34 2kb2 s ARG 11 Cb -0.03 -2.28 0.00 0.00 -0.57 0.00 0.00 34.95 32.07 2kb2 s ARG 11 CO 0.05 0.26 0.00 -1.13 -1.08 0.00 0.00 175.30 173.40 2kb2 n SER 12 N 3.29 1.91 0.00 -2.89 3.41 0.02 -1.15 113.62 118.21 2kb2 n SER 12 Ca -0.18 -0.25 0.00 0.00 -0.26 0.00 0.00 58.87 58.17 2kb2 n SER 12 Cb 0.53 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.48 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 -0.01 0.54 -3.14 4.33 6.02 0.15 -1.78 117.38 123.49 2kb2 n GLN 13 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 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 -3.22 5.09 3.14 0.20 -3.63 118.33 119.91 2kb2 n VAL 14 Ca 0.00 -0.20 -0.46 0.00 -2.96 0.00 0.00 64.34 60.73 2kb2 n VAL 14 Cb 0.00 0.42 -0.04 0.00 -1.06 0.00 0.00 33.84 33.16 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 -2.81 3.31 -0.76 1.45 3.76 -1.26 -4.70 115.29 114.28 2kb2 s HIS 15 Ca 0.18 -1.40 0.01 0.00 -0.15 0.00 0.00 55.06 53.69 2kb2 s HIS 15 Cb -0.01 -3.92 0.07 0.00 1.11 0.00 0.00 32.58 29.83 2kb2 s HIS 15 CO 0.01 -1.14 0.95 -0.35 -0.85 0.00 0.00 174.74 173.36 2kb2 n PRO 16 N 5.33 0.01 -0.08 8.40 -0.04 -1.26 -0.79 135.00 146.58 2kb2 n PRO 16 Ca -0.01 0.42 -0.05 0.00 -0.04 0.00 0.00 63.50 63.82 2kb2 n PRO 16 Cb 0.44 -1.62 -0.16 0.00 -0.04 0.00 0.00 33.50 32.11 2kb2 n PRO 16 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 2kb2 n ASP 17 N -1.46 0.01 -4.11 3.54 -0.08 -1.26 -4.99 116.55 108.20 2kb2 n ASP 17 Ca -0.00 0.01 -0.27 0.00 -1.51 0.00 0.00 54.79 53.01 2kb2 n ASP 17 Cb 0.10 1.24 0.18 0.00 2.34 0.00 0.00 41.12 44.98 2kb2 n ASP 17 CO 0.00 0.00 0.00 -2.11 0.12 0.00 0.00 177.20 175.21 2kb2 n ARG 18 N -2.63 -0.91 -2.20 -0.67 1.85 0.03 -5.10 116.66 107.04 2kb2 n ARG 18 Ca -0.25 -2.27 -0.27 0.00 -1.00 0.00 0.00 57.85 54.06 2kb2 n ARG 18 Cb 1.01 -1.14 0.14 0.00 -1.05 0.00 0.00 32.46 31.42 2kb2 n ARG 18 CO 0.00 0.00 0.00 -1.25 -0.01 0.00 0.00 177.63 176.37 2kb2 s PRO 19 N -5.64 1.27 1.09 2.89 0.05 -1.26 -4.95 135.00 128.45 2kb2 s PRO 19 Ca 0.72 -0.62 -0.15 0.00 0.05 0.00 0.00 61.00 61.00 2kb2 s PRO 19 Cb -0.03 -2.07 0.16 0.00 0.05 0.00 0.00 34.50 32.62 2kb2 s PRO 19 CO 0.50 -1.88 0.52 -2.30 0.05 0.00 0.00 177.00 173.89 2kb2 n PRO 20 N -3.30 -1.59 -3.87 0.56 -0.02 -1.26 -4.97 135.00 120.55 2kb2 n PRO 20 Ca 0.14 -0.43 -0.27 0.00 -2.02 0.00 0.00 63.50 60.91 2kb2 n PRO 20 Cb 0.60 -1.95 -0.03 0.00 -0.02 0.00 0.00 33.50 32.10 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 -2.36 5.30 -1.44 -1.45 1.01 -1.26 -5.00 120.40 115.19 2kb2 s VAL 21 Ca 0.61 -0.55 -0.08 0.00 0.00 0.00 0.00 61.98 61.97 2kb2 s VAL 21 Cb -0.19 -3.73 0.00 0.00 0.00 0.00 0.00 36.38 32.47 2kb2 s VAL 21 CO 0.65 -0.09 2.71 -0.90 0.00 0.00 0.00 175.10 177.48 2kb2 n ASP 22 N -0.48 8.36 0.00 3.32 5.75 -1.26 -4.73 116.55 127.51 2kb2 n ASP 22 Ca -0.06 -2.84 0.00 0.00 -0.01 0.00 0.00 54.79 51.88 2kb2 n ASP 22 Cb 0.54 -1.46 0.00 0.00 -1.03 0.00 0.00 41.12 39.16 2kb2 n ASP 22 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 2kb2 n LEU 23 N 2.67 0.00 -0.11 -2.12 4.77 -1.26 0.15 117.00 121.10 2kb2 n LEU 23 Ca 0.70 0.00 -0.19 0.00 -0.03 0.00 0.00 56.01 56.49 2kb2 n LEU 23 Cb 0.25 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.25 2kb2 n LEU 23 CO 0.76 0.00 -1.26 -0.67 -1.33 0.00 0.00 177.39 174.89 2kb2 n ASP 24 N -0.67 2.06 0.06 -1.43 -0.08 -1.26 -4.25 116.55 110.97 2kb2 n ASP 24 Ca 0.00 0.03 -0.03 0.00 -1.51 0.00 0.00 54.79 53.28 2kb2 n ASP 24 Cb 0.00 -0.48 -0.08 0.00 2.34 0.00 0.00 41.12 42.91 2kb2 n ASP 24 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2kb2 h ALA 25 N -0.31 0.60 -0.45 -1.67 0.00 -0.48 -2.78 119.26 114.17 2kb2 h ALA 25 Ca -0.53 -0.90 -0.13 0.00 0.00 0.00 0.00 54.91 53.35 2kb2 h ALA 25 Cb 1.68 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 19.57 2kb2 h ALA 25 CO -0.18 1.08 -0.22 1.25 0.00 0.00 0.00 179.25 181.18 2kb2 h LEU 26 N 0.00 0.96 0.16 0.00 6.46 0.12 -2.88 115.31 120.13 2kb2 h LEU 26 Ca -0.11 -0.40 -0.34 0.00 -0.12 0.00 0.00 57.88 56.91 2kb2 h LEU 26 Cb 1.68 -0.27 0.00 0.00 -0.73 0.00 0.00 40.66 41.34 2kb2 h LEU 26 CO 0.08 1.15 -1.71 1.62 -0.62 0.00 0.00 178.44 178.97 2kb2 h VAL 27 N 0.77 0.97 0.07 1.05 3.04 -1.74 -3.28 116.25 117.13 2kb2 h VAL 27 Ca 0.10 -2.59 0.02 0.00 -1.01 0.00 0.00 66.70 63.23 2kb2 h VAL 27 Cb 0.79 2.74 -0.04 0.00 -2.01 0.00 0.00 31.29 32.77 2kb2 h VAL 27 CO 0.07 0.84 -0.30 -0.74 -1.01 0.00 0.00 177.57 176.42 2kb2 h HIS 28 N 0.09 -0.83 0.00 3.17 2.76 -1.53 0.58 115.15 119.40 2kb2 h HIS 28 Ca -0.32 0.02 -0.01 0.00 -2.20 0.00 0.00 60.37 57.86 2kb2 h HIS 28 Cb 2.07 0.36 -0.00 0.00 1.55 0.00 0.00 27.41 31.39 2kb2 h HIS 28 CO 0.09 -0.40 -0.05 0.00 -1.30 0.00 0.00 177.93 176.27 2kb2 h ARG 29 N -0.50 0.00 0.28 5.26 -0.00 -1.69 -2.61 114.38 115.13 2kb2 h ARG 29 Ca 0.04 0.00 -0.01 0.00 -0.50 0.00 0.00 59.98 59.51 2kb2 h ARG 29 Cb 0.55 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.52 2kb2 h ARG 29 CO -0.21 0.05 -0.14 0.00 0.00 0.00 0.00 179.97 179.67 2kb2 h ALA 30 N 1.95 -0.39 -0.90 0.04 0.00 -1.17 -3.21 119.26 115.59 2kb2 h ALA 30 Ca -0.00 -0.08 0.23 0.00 0.00 0.00 0.00 54.91 55.06 2kb2 h ALA 30 Cb 0.22 0.15 -0.05 0.00 0.00 0.00 0.00 17.79 18.10 2kb2 h ALA 30 CO 0.01 -0.36 0.62 1.03 0.00 0.00 0.00 179.25 180.54 2kb2 h SER 31 N -1.07 0.20 0.09 0.00 0.87 -0.88 0.32 113.55 113.08 2kb2 h SER 31 Ca -0.04 0.02 -0.04 0.00 -1.23 0.00 0.00 61.79 60.50 2kb2 h SER 31 Cb 0.29 -0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 62.23 2kb2 h SER 31 CO 0.06 0.07 -0.14 -1.28 -0.53 0.00 0.00 176.83 175.02 2kb2 h SER 32 N 0.20 0.12 0.11 6.23 0.87 -1.53 0.41 113.55 119.96 2kb2 h SER 32 Ca 0.45 -0.02 -0.27 0.00 -1.23 0.00 0.00 61.79 60.72 2kb2 h SER 32 Cb 1.45 -0.03 -0.00 0.00 -0.44 0.00 0.00 62.40 63.37 2kb2 h SER 32 CO -0.10 0.27 -1.36 0.50 -0.53 0.00 0.00 176.83 175.61 2kb2 h LYS 33 N 0.12 0.23 -0.32 2.24 3.64 -0.40 -3.38 116.57 118.70 2kb2 h LYS 33 Ca 0.02 -0.40 -0.14 0.00 -1.27 0.00 0.00 60.65 58.87 2kb2 h LYS 33 Cb 0.33 0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 32.28 2kb2 h LYS 33 CO 0.02 1.19 -0.36 -0.91 -2.27 0.00 0.00 179.45 177.12 2kb2 h ASN 34 N -0.34 0.78 0.13 4.20 2.35 -1.21 -2.80 115.58 118.69 2kb2 h ASN 34 Ca -0.29 -0.34 0.01 0.00 -0.55 0.00 0.00 56.30 55.13 2kb2 h ASN 34 Cb 1.73 -0.22 -0.04 0.00 0.05 0.00 0.00 38.32 39.84 2kb2 h ASN 34 CO 0.05 1.06 -0.49 0.25 -1.65 0.00 0.00 177.43 176.65 2kb2 h LEU 35 N 0.62 -1.46 -1.53 1.61 5.85 -1.04 0.26 115.31 119.62 2kb2 h LEU 35 Ca 0.06 0.15 -0.05 0.00 0.84 0.00 0.00 57.88 58.88 2kb2 h LEU 35 Cb 0.89 0.54 -0.01 0.00 0.37 0.00 0.00 40.66 42.45 2kb2 h LEU 35 CO 0.08 -0.52 -0.23 1.55 -0.34 0.00 0.00 178.44 178.98 2kb2 h PRO 36 N -0.70 0.00 0.00 5.25 0.13 -1.74 -2.13 132.00 132.80 2kb2 h PRO 36 Ca -0.01 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.10 2kb2 h PRO 36 Cb 0.70 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.83 2kb2 h PRO 36 CO -0.25 0.23 -0.11 -0.07 -0.23 0.00 0.00 178.00 177.56 2kb2 h LEU 37 N 0.00 0.00 0.00 1.56 4.07 -1.06 -3.46 115.31 116.42 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 0.52 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.26 2kb2 h LEU 37 CO 0.03 0.11 0.00 0.61 -1.08 0.00 0.00 178.44 178.11 2kb2 n GLY 38 N 0.26 0.69 3.87 0.83 0.00 0.49 -4.96 105.19 106.38 2kb2 n GLY 38 Ca 0.01 0.00 -0.30 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 -2.31 4.75 0.07 -0.61 1.01 0.62 -4.70 121.20 120.04 2kb2 s ILE 39 Ca 0.00 0.70 -0.08 0.00 0.00 0.00 0.00 60.65 61.27 2kb2 s ILE 39 Cb 0.00 -3.75 -0.00 0.00 0.01 0.00 0.00 42.46 38.72 2kb2 s ILE 39 CO 0.00 -0.60 0.17 0.42 0.00 0.00 0.00 174.94 174.93 2kb2 s THR 40 N -2.47 0.14 -4.53 2.92 -4.23 -0.19 -3.99 115.64 103.30 2kb2 s THR 40 Ca 0.52 -1.18 0.00 0.00 -1.18 0.00 0.00 61.69 59.85 2kb2 s THR 40 Cb -0.10 -1.26 0.00 0.00 1.34 0.00 0.00 72.50 72.48 2kb2 s THR 40 CO 0.33 -0.65 0.00 0.61 -0.54 0.00 0.00 174.62 174.37 2kb2 n GLY 41 N 0.12 -0.73 3.30 3.99 0.00 -0.03 0.28 105.19 112.12 2kb2 n GLY 41 Ca -0.16 -1.10 -0.13 0.00 0.00 0.00 0.00 46.02 44.63 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 0.30 -0.61 2.07 -0.34 -3.51 121.20 116.17 2kb2 s ILE 42 Ca 0.00 -0.50 0.11 0.00 -1.41 0.00 0.00 60.65 58.85 2kb2 s ILE 42 Cb 0.00 -0.90 -0.05 0.00 0.13 0.00 0.00 42.46 41.64 2kb2 s ILE 42 CO 0.00 -0.27 -0.10 -0.76 -1.91 0.00 0.00 174.94 171.90 2kb2 s LEU 43 N -1.88 2.82 0.03 8.50 1.43 -0.30 -0.36 118.68 128.93 2kb2 s LEU 43 Ca -0.07 -0.96 -0.04 0.00 -1.03 0.00 0.00 54.13 52.04 2kb2 s LEU 43 Cb -0.01 -1.28 -0.02 0.00 0.03 0.00 0.00 46.19 44.91 2kb2 s LEU 43 CO -0.01 -0.06 0.06 -0.76 0.23 0.00 0.00 176.35 175.81 2kb2 s LEU 44 N -3.60 1.96 -0.14 1.79 1.02 0.19 0.86 118.68 120.75 2kb2 s LEU 44 Ca 0.32 -0.56 -0.09 0.00 0.02 0.00 0.00 54.13 53.82 2kb2 s LEU 44 Cb -0.03 0.45 0.05 0.00 0.02 0.00 0.00 46.19 46.68 2kb2 s LEU 44 CO 0.17 -0.47 0.36 0.12 0.02 0.00 0.00 176.35 176.55 2kb2 s PHE 45 N -2.44 -0.48 0.00 0.29 5.36 -0.62 -1.79 117.98 118.30 2kb2 s PHE 45 Ca -0.07 1.08 0.00 0.00 -0.96 0.00 0.00 56.93 56.99 2kb2 s PHE 45 Cb -0.02 0.18 0.00 0.00 -0.34 0.00 0.00 43.02 42.84 2kb2 s PHE 45 CO -0.04 -0.28 0.78 0.27 -1.46 0.00 0.00 175.22 174.49 2kb2 n ASN 46 N 3.91 1.56 0.00 6.13 0.23 -1.13 0.59 115.26 126.55 2kb2 n ASN 46 Ca -0.21 -1.56 0.00 0.00 -0.53 0.00 0.00 54.58 52.27 2kb2 n ASN 46 Cb 0.55 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.25 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 -0.28 0.67 0.00 4.83 0.00 -1.26 -4.72 105.19 104.43 2kb2 n GLY 47 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -4.40 0.99 -0.00 -1.26 -4.93 117.00 107.40 2kb2 n LEU 48 Ca 0.00 0.00 -0.30 0.00 -0.00 0.00 0.00 56.01 55.71 2kb2 n LEU 48 Cb 0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 43.42 43.29 2kb2 n LEU 48 CO 0.00 0.00 -0.55 -1.10 -0.00 0.00 0.00 177.39 175.74 2kb2 s GLN 49 N -1.00 1.66 -0.38 1.96 -0.21 -1.26 -0.63 119.66 119.79 2kb2 s GLN 49 Ca 0.00 -1.21 -0.05 0.00 0.02 0.00 0.00 55.36 54.12 2kb2 s GLN 49 Cb 0.00 -1.99 0.08 0.00 1.00 0.00 0.00 33.01 32.10 2kb2 s GLN 49 CO 0.00 0.48 0.17 -0.06 -2.12 0.00 0.00 175.29 173.77 2kb2 s PHE 50 N -0.98 3.42 -0.13 0.91 0.08 -0.73 -2.83 117.98 117.72 2kb2 s PHE 50 Ca 0.14 -1.95 -0.19 0.00 0.12 0.00 0.00 56.93 55.04 2kb2 s PHE 50 Cb -0.10 -2.85 -0.04 0.00 -0.57 0.00 0.00 43.02 39.46 2kb2 s PHE 50 CO 0.05 -0.88 0.54 0.12 -0.10 0.00 0.00 175.22 174.95 2kb2 s PHE 51 N 1.27 3.49 -0.17 0.36 5.36 -0.74 -0.80 117.98 126.75 2kb2 s PHE 51 Ca 0.03 0.94 -0.01 0.00 -0.96 0.00 0.00 56.93 56.93 2kb2 s PHE 51 Cb -0.22 -2.64 0.04 0.00 -0.34 0.00 0.00 43.02 39.86 2kb2 s PHE 51 CO -0.01 0.07 -0.04 -1.14 -1.46 0.00 0.00 175.22 172.64 2kb2 s GLN 52 N 0.95 1.37 -0.47 10.12 0.74 0.55 0.58 119.66 133.49 2kb2 s GLN 52 Ca 0.28 -0.52 -0.21 0.00 0.05 0.00 0.00 55.36 54.96 2kb2 s GLN 52 Cb -0.16 -2.02 0.03 0.00 1.10 0.00 0.00 33.01 31.97 2kb2 s GLN 52 CO 0.12 -0.45 0.71 0.08 -0.55 0.00 0.00 175.29 175.19 2kb2 s VAL 53 N 1.65 4.74 -0.09 1.34 1.01 0.51 -1.38 120.40 128.19 2kb2 s VAL 53 Ca 0.00 0.07 -0.00 0.00 0.00 0.00 0.00 61.98 62.05 2kb2 s VAL 53 Cb -0.15 -4.29 -0.03 0.00 0.00 0.00 0.00 36.38 31.90 2kb2 s VAL 53 CO -0.08 -0.74 -0.07 -0.22 0.00 0.00 0.00 175.10 174.00 2kb2 s LEU 54 N 3.02 3.16 -0.18 3.92 2.96 0.60 -1.20 118.68 130.97 2kb2 s LEU 54 Ca 0.23 -0.05 -0.04 0.00 -0.22 0.00 0.00 54.13 54.05 2kb2 s LEU 54 Cb -0.15 -1.70 0.09 0.00 0.50 0.00 0.00 46.19 44.93 2kb2 s LEU 54 CO 0.18 0.32 0.28 -1.83 -1.32 0.00 0.00 176.35 173.98 2kb2 s GLU 55 N -0.55 0.21 0.00 1.98 -1.05 0.14 0.38 118.70 119.81 2kb2 s GLU 55 Ca 0.08 0.55 0.00 0.00 -0.15 0.00 0.00 54.97 55.46 2kb2 s GLU 55 Cb -0.12 -0.46 0.00 0.00 -0.44 0.00 0.00 34.13 33.11 2kb2 s GLU 55 CO 0.02 -0.47 0.00 0.41 0.95 0.00 0.00 175.26 176.17 2kb2 n GLY 56 N 5.35 -1.19 3.63 -3.83 0.00 0.39 -1.02 105.19 108.51 2kb2 n GLY 56 Ca -0.06 -0.80 -0.47 0.00 0.00 0.00 0.00 46.02 44.69 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 0.43 0.73 -0.25 2.61 -2.24 -1.26 -0.30 114.28 114.00 2kb2 n THR 57 Ca 0.00 -0.18 0.26 0.00 -2.27 0.00 0.00 64.05 61.85 2kb2 n THR 57 Cb 0.00 -1.18 0.62 0.00 -2.10 0.00 0.00 70.33 67.67 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 4.12 0.19 -0.15 -0.78 4.81 -1.86 0.37 114.58 121.28 2kb2 h GLU 58 Ca -0.45 -0.01 -0.11 0.00 -0.13 0.00 0.00 59.36 58.67 2kb2 h GLU 58 Cb 1.30 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 30.63 2kb2 h GLU 58 CO 0.75 0.13 -0.37 1.05 -0.73 0.00 0.00 179.01 179.84 2kb2 h GLU 59 N 0.20 0.32 0.14 1.92 4.11 -1.98 -2.44 114.58 116.84 2kb2 h GLU 59 Ca 0.50 -0.14 -0.30 0.00 0.07 0.00 0.00 59.36 59.49 2kb2 h GLU 59 Cb 1.60 -0.01 0.02 0.00 0.50 0.00 0.00 28.75 30.87 2kb2 h GLU 59 CO -0.12 0.65 -1.27 0.00 0.07 0.00 0.00 179.01 178.35 2kb2 h ALA 60 N 1.34 0.02 -0.43 1.06 0.00 -0.67 -3.12 119.26 117.47 2kb2 h ALA 60 Ca 0.03 -0.81 -0.02 0.00 0.00 0.00 0.00 54.91 54.12 2kb2 h ALA 60 Cb 0.78 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.64 2kb2 h ALA 60 CO 0.06 0.76 0.21 -0.07 0.00 0.00 0.00 179.25 180.21 2kb2 h LEU 61 N 0.20 0.56 0.64 0.00 3.38 -1.10 -0.09 115.31 118.90 2kb2 h LEU 61 Ca -0.18 -0.13 -0.02 0.00 0.09 0.00 0.00 57.88 57.64 2kb2 h LEU 61 Cb 1.95 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 42.55 2kb2 h LEU 61 CO 0.23 0.53 -0.41 -0.08 0.09 0.00 0.00 178.44 178.80 2kb2 h GLU 62 N 0.55 -0.96 -0.12 1.13 4.81 -1.53 0.16 114.58 118.61 2kb2 h GLU 62 Ca 0.15 0.07 0.04 0.00 -0.13 0.00 0.00 59.36 59.48 2kb2 h GLU 62 Cb 0.12 0.22 -0.04 0.00 0.63 0.00 0.00 28.75 29.67 2kb2 h GLU 62 CO -0.02 -0.64 -0.15 1.03 -0.73 0.00 0.00 179.01 178.51 2kb2 h SER 63 N -0.99 -0.45 0.60 1.04 0.87 -1.50 0.18 113.55 113.30 2kb2 h SER 63 Ca -0.08 0.08 -0.02 0.00 -1.23 0.00 0.00 61.79 60.54 2kb2 h SER 63 Cb 0.81 0.22 -0.01 0.00 -0.44 0.00 0.00 62.40 62.98 2kb2 h SER 63 CO 0.07 -0.19 -0.42 0.25 -0.53 0.00 0.00 176.83 176.01 2kb2 h LEU 64 N -0.18 -1.08 -1.60 2.23 7.12 -0.95 -0.35 115.31 120.50 2kb2 h LEU 64 Ca 0.09 0.07 0.27 0.00 0.13 0.00 0.00 57.88 58.44 2kb2 h LEU 64 Cb 0.31 0.33 -0.07 0.00 -0.53 0.00 0.00 40.66 40.70 2kb2 h LEU 64 CO -0.23 -0.61 0.69 0.15 -0.13 0.00 0.00 178.44 178.30 2kb2 h PHE 65 N -0.97 0.42 -0.01 1.25 3.57 -0.59 0.85 116.94 121.46 2kb2 h PHE 65 Ca -0.08 0.01 -0.12 0.00 3.53 0.00 0.00 57.97 61.31 2kb2 h PHE 65 Cb 0.79 -0.12 -0.02 0.00 2.79 0.00 0.00 35.95 39.39 2kb2 h PHE 65 CO -0.11 0.05 -0.57 0.77 -2.23 0.00 0.00 178.31 176.22 2kb2 h SER 66 N 0.26 0.04 0.61 0.41 0.02 0.15 -2.46 113.55 112.57 2kb2 h SER 66 Ca 0.54 -0.02 -0.10 0.00 -0.84 0.00 0.00 61.79 61.37 2kb2 h SER 66 Cb 1.62 -0.01 -0.01 0.00 0.14 0.00 0.00 62.40 64.14 2kb2 h SER 66 CO -0.18 0.60 -0.46 -0.33 -1.14 0.00 0.00 176.83 175.32 2kb2 h GLU 67 N 0.03 0.00 0.12 3.45 4.39 0.24 -2.84 114.58 119.96 2kb2 h GLU 67 Ca -0.01 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.69 2kb2 h GLU 67 Cb 1.02 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.67 2kb2 h GLU 67 CO 0.08 0.46 -0.06 0.82 -1.16 0.00 0.00 179.01 179.15 2kb2 h ILE 68 N 0.00 1.04 0.00 3.13 5.03 -0.80 -2.74 117.51 123.18 2kb2 h ILE 68 Ca -0.00 -0.70 0.00 0.00 -0.12 0.00 0.00 64.86 64.03 2kb2 h ILE 68 Cb 0.89 1.48 0.00 0.00 -3.03 0.00 0.00 36.82 36.17 2kb2 h ILE 68 CO 0.06 0.17 0.00 0.00 -0.68 0.00 0.00 178.15 177.70 2kb2 n GLN 69 N -5.01 0.02 -0.09 2.37 6.02 -1.04 -1.50 117.38 118.14 2kb2 n GLN 69 Ca -0.09 0.24 0.12 0.00 -0.01 0.00 0.00 57.00 57.26 2kb2 n GLN 69 Cb 0.21 -1.53 0.26 0.00 1.02 0.00 0.00 30.24 30.20 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 -1.57 2.70 -4.83 1.08 7.64 -1.08 -4.94 113.62 112.64 2kb2 n SER 70 Ca 0.04 -1.87 -0.33 0.00 1.01 0.00 0.00 58.87 57.71 2kb2 n SER 70 Cb 0.19 -0.12 -0.06 0.00 -1.01 0.00 0.00 64.21 63.21 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 -1.71 6.91 0.11 6.43 1.01 -0.56 -4.99 116.67 123.87 2kb2 s ASP 71 Ca 0.34 1.49 0.24 0.00 0.71 0.00 0.00 52.55 55.34 2kb2 s ASP 71 Cb 0.21 -2.46 0.37 0.00 1.01 0.00 0.00 42.92 42.05 2kb2 s ASP 71 CO 0.30 -0.22 1.34 -0.81 0.21 0.00 0.00 175.17 175.99 2kb2 n PRO 72 N -0.27 0.27 0.00 8.23 -0.04 -1.26 -4.63 135.00 137.30 2kb2 n PRO 72 Ca 0.04 0.08 0.00 0.00 -0.04 0.00 0.00 63.50 63.58 2kb2 n PRO 72 Cb 0.53 -1.67 0.00 0.00 -0.04 0.00 0.00 33.50 32.32 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 -2.06 0.00 -0.48 0.54 0.63 -1.26 -4.93 116.66 109.11 2kb2 n ARG 73 Ca 0.03 0.00 -0.22 0.00 -0.92 0.00 0.00 57.85 56.74 2kb2 n ARG 73 Cb 0.43 -0.28 0.20 0.00 0.45 0.00 0.00 32.46 33.26 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 -0.09 -3.50 -3.37 -0.14 1.44 -1.26 -4.28 115.22 104.01 2kb2 n HIS 74 Ca 0.00 -0.67 -0.03 0.00 -2.01 0.00 0.00 57.72 55.01 2kb2 n HIS 74 Cb 0.00 -0.88 0.00 0.00 0.12 0.00 0.00 29.99 29.23 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 -4.39 0.22 -2.86 -1.40 1.85 -1.25 -4.79 116.66 104.05 2kb2 n ARG 75 Ca 0.11 -0.57 -0.15 0.00 -1.00 0.00 0.00 57.85 56.24 2kb2 n ARG 75 Cb 0.44 0.64 -0.03 0.00 -1.05 0.00 0.00 32.46 32.46 2kb2 n ARG 75 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 2kb2 n ASP 76 N -1.46 -1.06 -4.73 2.89 8.00 -1.26 0.32 116.55 119.25 2kb2 n ASP 76 Ca -0.01 -0.22 -0.42 0.00 0.71 0.00 0.00 54.79 54.85 2kb2 n ASP 76 Cb 0.14 -0.98 -0.03 0.00 -0.02 0.00 0.00 41.12 40.23 2kb2 n ASP 76 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2kb2 s VAL 77 N -2.08 2.45 -0.06 2.53 0.11 -1.26 -4.47 120.40 117.61 2kb2 s VAL 77 Ca 0.29 0.34 -0.00 0.00 -2.93 0.00 0.00 61.98 59.68 2kb2 s VAL 77 Cb -0.17 -3.22 0.02 0.00 -1.53 0.00 0.00 36.38 31.49 2kb2 s VAL 77 CO 0.36 0.04 -0.03 -0.69 -3.33 0.00 0.00 175.10 171.45 2kb2 s VAL 78 N 0.78 0.51 -0.31 2.04 1.01 -0.30 -4.94 120.40 119.19 2kb2 s VAL 78 Ca 0.68 -0.02 -0.32 0.00 0.00 0.00 0.00 61.98 62.32 2kb2 s VAL 78 Cb -0.45 -0.60 -0.09 0.00 0.00 0.00 0.00 36.38 35.25 2kb2 s VAL 78 CO 0.36 0.26 2.22 1.21 0.00 0.00 0.00 175.10 179.15 2kb2 n GLU 79 N 4.66 1.43 0.03 2.72 2.13 -1.26 -2.31 120.64 128.05 2kb2 n GLU 79 Ca -0.15 0.37 -0.12 0.00 0.66 0.00 0.00 57.16 57.92 2kb2 n GLU 79 Cb 0.50 -2.82 -0.14 0.00 0.27 0.00 0.00 31.44 29.26 2kb2 n GLU 79 CO 0.00 0.00 0.00 -0.07 -0.41 0.00 0.00 177.13 176.65 2kb2 h LEU 80 N 13.83 0.17 -8.20 4.31 3.38 0.78 -3.48 115.31 126.11 2kb2 h LEU 80 Ca -0.32 -0.26 -0.07 0.00 0.09 0.00 0.00 57.88 57.32 2kb2 h LEU 80 Cb 1.29 -0.06 -0.07 0.00 0.09 0.00 0.00 40.66 41.91 2kb2 h LEU 80 CO 1.00 1.22 0.00 -0.32 0.09 0.00 0.00 178.44 180.43 2kb2 s MET 81 N -2.63 1.78 0.00 1.13 1.75 0.71 -4.89 119.30 117.15 2kb2 s MET 81 Ca -0.06 -1.33 0.00 0.00 -1.25 0.00 0.00 55.69 53.06 2kb2 s MET 81 Cb 0.08 0.52 0.00 0.00 2.84 0.00 0.00 34.83 38.27 2kb2 s MET 81 CO 0.83 -0.77 0.00 -2.13 -0.65 0.00 0.00 175.02 172.30 2kb2 n ARG 82 N -0.45 0.00 -4.33 4.11 0.63 -1.03 -0.94 116.66 114.64 2kb2 n ARG 82 Ca -0.03 0.00 -0.26 0.00 -0.92 0.00 0.00 57.85 56.65 2kb2 n ARG 82 Cb 0.61 0.00 -0.13 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 2.78 0.59 6.15 -1.08 -0.90 -4.88 116.67 119.33 2kb2 s ASP 83 Ca 0.00 -0.70 -0.18 0.00 -0.52 0.00 0.00 52.55 51.14 2kb2 s ASP 83 Cb 0.00 -0.17 -0.04 0.00 -1.46 0.00 0.00 42.92 41.26 2kb2 s ASP 83 CO 0.00 0.10 1.18 -0.31 0.52 0.00 0.00 175.17 176.65 2kb2 s TYR 84 N -1.12 2.48 0.31 -5.34 2.02 -1.26 0.92 117.35 115.35 2kb2 s TYR 84 Ca 0.09 1.53 -0.09 0.00 -0.37 0.00 0.00 57.07 58.23 2kb2 s TYR 84 Cb -0.10 -3.40 0.01 0.00 -0.40 0.00 0.00 41.96 38.07 2kb2 s TYR 84 CO 0.05 -1.99 0.52 -1.12 -1.57 0.00 0.00 175.55 171.43 2kb2 s SER 85 N -1.75 0.34 0.00 2.29 0.01 0.40 -4.74 113.70 110.25 2kb2 s SER 85 Ca 0.75 -1.20 0.00 0.00 1.31 0.00 0.00 55.95 56.81 2kb2 s SER 85 Cb -0.27 0.65 0.00 0.00 0.21 0.00 0.00 66.02 66.61 2kb2 s SER 85 CO 0.32 -1.28 0.42 0.00 0.41 0.00 0.00 173.24 173.11 2kb2 n ALA 86 N -0.48 0.91 -2.99 1.44 0.00 -1.26 -0.71 120.51 117.41 2kb2 n ALA 86 Ca -0.01 -0.42 -0.11 0.00 0.00 0.00 0.00 53.44 52.90 2kb2 n ALA 86 Cb 0.61 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 20.01 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 -0.11 -0.16 -0.32 0.00 1.13 -1.26 -4.92 117.35 111.72 2kb2 s TYR 87 Ca 0.00 -0.05 -0.07 0.00 -1.41 0.00 0.00 57.07 55.53 2kb2 s TYR 87 Cb 0.00 0.17 0.02 0.00 -1.10 0.00 0.00 41.96 41.05 2kb2 s TYR 87 CO 0.00 -0.60 0.10 1.03 -2.51 0.00 0.00 175.55 173.57 2kb2 s ARG 88 N -3.16 2.94 0.29 -3.49 0.52 -1.26 -4.96 118.95 109.83 2kb2 s ARG 88 Ca -0.01 -0.97 -0.00 0.00 -0.52 0.00 0.00 55.73 54.23 2kb2 s ARG 88 Cb 0.01 -3.44 0.44 0.00 0.52 0.00 0.00 34.95 32.48 2kb2 s ARG 88 CO -0.07 -0.53 1.84 0.00 0.02 0.00 0.00 175.30 176.56 2kb2 h ARG 89 N 8.26 0.78 -1.50 3.54 -0.00 -1.95 -2.95 114.38 120.56 2kb2 h ARG 89 Ca -0.28 -0.15 -0.68 0.00 -0.50 0.00 0.00 59.98 58.36 2kb2 h ARG 89 Cb 1.11 -0.12 -0.33 0.00 0.00 0.00 0.00 29.97 30.63 2kb2 h ARG 89 CO 0.61 0.71 0.38 1.19 0.00 0.00 0.00 179.97 182.86 2kb2 n PHE 90 N -4.28 3.11 0.17 3.04 3.72 -1.26 -4.66 117.46 117.30 2kb2 n PHE 90 Ca 0.04 -2.66 0.10 0.00 -0.05 0.00 0.00 57.45 54.88 2kb2 n PHE 90 Cb 0.22 -0.89 0.54 0.00 -0.94 0.00 0.00 39.48 38.40 2kb2 n PHE 90 CO 0.00 0.00 0.00 -2.39 -0.05 0.00 0.00 176.76 174.32 2kb2 n HIS 91 N -0.64 0.67 0.03 1.38 1.44 -1.12 -0.57 115.22 116.42 2kb2 n HIS 91 Ca 0.51 0.35 0.10 0.00 -2.01 0.00 0.00 57.72 56.68 2kb2 n HIS 91 Cb 0.52 -1.00 -0.10 0.00 0.12 0.00 0.00 29.99 29.53 2kb2 n HIS 91 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 2kb2 n GLY 92 N -1.29 -1.19 2.76 -1.39 0.00 -1.26 -4.85 105.19 97.97 2kb2 n GLY 92 Ca -0.01 -0.38 -0.26 0.00 0.00 0.00 0.00 46.02 45.36 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 -3.40 0.51 0.34 2.61 2.01 0.26 -5.01 115.64 112.96 2kb2 s THR 93 Ca -0.05 -0.28 0.06 0.00 0.31 0.00 0.00 61.69 61.73 2kb2 s THR 93 Cb 0.12 -0.84 0.14 0.00 0.01 0.00 0.00 72.50 71.92 2kb2 s THR 93 CO 0.86 0.02 1.86 1.23 -0.69 0.00 0.00 174.62 177.89 2kb2 h GLY 94 N 8.27 0.43 -5.28 4.40 0.00 -1.81 -3.22 103.07 105.85 2kb2 h GLY 94 Ca -0.19 -0.28 0.03 0.00 0.00 0.00 0.00 47.33 46.90 2kb2 h GLY 94 CO 0.31 0.26 0.28 -0.29 0.00 0.00 0.00 176.54 177.10 2kb2 s MET 95 N -4.76 0.63 -0.27 4.80 1.75 -1.23 -0.85 119.30 119.35 2kb2 s MET 95 Ca -0.06 0.82 0.00 0.00 -1.25 0.00 0.00 55.69 55.20 2kb2 s MET 95 Cb 0.15 0.27 0.16 0.00 2.84 0.00 0.00 34.83 38.25 2kb2 s MET 95 CO 0.76 -0.09 0.45 0.50 -0.65 0.00 0.00 175.02 175.99 2kb2 s ARG 96 N 0.59 0.43 0.89 4.11 3.52 -1.23 -4.55 118.95 122.72 2kb2 s ARG 96 Ca -0.01 0.46 -0.10 0.00 -0.13 0.00 0.00 55.73 55.95 2kb2 s ARG 96 Cb -0.05 -0.17 0.13 0.00 -1.56 0.00 0.00 34.95 33.30 2kb2 s ARG 96 CO -0.07 -0.83 1.14 -1.50 -0.81 0.00 0.00 175.30 173.24 2kb2 s ILE 97 N 2.63 2.25 -0.38 4.11 -1.16 -1.26 -1.15 121.20 126.25 2kb2 s ILE 97 Ca 0.13 0.08 0.01 0.00 -0.51 0.00 0.00 60.65 60.35 2kb2 s ILE 97 Cb -0.14 -2.17 0.14 0.00 0.61 0.00 0.00 42.46 40.90 2kb2 s ILE 97 CO -0.23 -0.11 0.22 -0.22 -2.81 0.00 0.00 174.94 171.79 2kb2 s LEU 98 N -6.51 1.52 -0.91 8.50 2.96 0.25 -4.73 118.68 119.76 2kb2 s LEU 98 Ca 0.66 -2.29 -0.25 0.00 -0.22 0.00 0.00 54.13 52.02 2kb2 s LEU 98 Cb -0.22 -0.60 -0.13 0.00 0.50 0.00 0.00 46.19 45.74 2kb2 s LEU 98 CO 0.58 -0.30 2.20 -0.62 -1.32 0.00 0.00 176.35 176.88 2kb2 s ASP 99 N 0.88 4.21 0.61 3.68 -1.08 -1.26 -1.59 116.67 122.13 2kb2 s ASP 99 Ca 0.18 -0.48 0.32 0.00 -0.52 0.00 0.00 52.55 52.05 2kb2 s ASP 99 Cb -0.23 -2.56 1.79 0.00 -1.46 0.00 0.00 42.92 40.45 2kb2 s ASP 99 CO -0.00 -3.70 2.12 -0.07 0.52 0.00 0.00 175.17 174.04 2kb2 h LEU 100 N 20.94 0.00 -1.44 -1.34 3.38 -0.21 0.17 115.31 136.81 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 1.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.75 2kb2 h LEU 100 CO 1.08 0.00 0.14 0.03 0.09 0.00 0.00 178.44 179.78 2kb2 h ARG 101 N 0.00 0.00 0.05 1.13 3.08 -1.84 -0.73 114.38 116.08 2kb2 h ARG 101 Ca 0.06 0.00 -0.34 0.00 0.07 0.00 0.00 59.98 59.77 2kb2 h ARG 101 Cb 0.43 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.44 2kb2 h ARG 101 CO -0.00 0.00 -1.89 1.28 -1.07 0.00 0.00 179.97 178.29 2kb2 n LEU 102 N -2.33 2.36 0.00 3.04 4.77 0.60 -5.00 117.00 120.44 2kb2 n LEU 102 Ca -0.01 0.25 0.00 0.00 -0.03 0.00 0.00 56.01 56.21 2kb2 n LEU 102 Cb 0.18 -1.01 0.00 0.00 -2.33 0.00 0.00 43.42 40.26 2kb2 n LEU 102 CO 0.10 0.65 0.00 0.49 -1.33 0.00 0.00 177.39 177.30 2kb2 n PHE 103 N -3.84 0.00 -2.56 -1.77 3.72 -0.28 -5.06 117.46 107.67 2kb2 n PHE 103 Ca -0.36 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.04 2kb2 n PHE 103 Cb 0.91 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.45 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 0.47 -1.08 0.28 -1.26 -4.84 120.64 114.22 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 0.03 0.00 3.84 2.02 -1.93 0.14 112.91 117.01 2kb2 h THR 105 Ca 0.00 -0.09 -0.10 0.00 0.77 0.00 0.00 66.41 66.99 2kb2 h THR 105 Cb 0.00 0.04 -0.01 0.00 -1.74 0.00 0.00 68.15 66.43 2kb2 h THR 105 CO 0.00 0.00 -0.46 -0.78 0.37 0.00 0.00 175.52 174.65 2kb2 h ASP 106 N -1.30 0.00 -0.02 4.18 1.82 -1.98 -2.45 116.42 116.67 2kb2 h ASP 106 Ca -0.12 0.00 -0.01 0.00 -0.39 0.00 0.00 57.03 56.51 2kb2 h ASP 106 Cb 0.93 0.00 -0.00 0.00 0.68 0.00 0.00 39.33 40.94 2kb2 h ASP 106 CO 0.20 0.46 -0.02 1.23 -1.61 0.00 0.00 179.24 179.51 2kb2 h GLY 107 N 3.38 0.05 0.63 -0.78 0.00 -1.92 -1.82 103.07 102.61 2kb2 h GLY 107 Ca -0.00 -0.06 -0.00 0.00 0.00 0.00 0.00 47.33 47.27 2kb2 h GLY 107 CO 0.06 0.05 -0.04 0.00 0.00 0.00 0.00 176.54 176.61 2kb2 h ALA 108 N 0.53 -0.13 -0.69 3.60 0.00 -0.79 -2.20 119.26 119.58 2kb2 h ALA 108 Ca 0.00 -0.19 0.15 0.00 0.00 0.00 0.00 54.91 54.88 2kb2 h ALA 108 Cb 0.51 0.05 -0.11 0.00 0.00 0.00 0.00 17.79 18.24 2kb2 h ALA 108 CO 0.01 -0.39 0.09 1.25 0.00 0.00 0.00 179.25 180.21 2kb2 h LEU 109 N -0.50 -0.14 -0.82 0.00 5.85 -1.53 0.24 115.31 118.42 2kb2 h LEU 109 Ca -0.01 0.15 0.05 0.00 0.84 0.00 0.00 57.88 58.91 2kb2 h LEU 109 Cb 0.41 0.24 -0.06 0.00 0.37 0.00 0.00 40.66 41.63 2kb2 h LEU 109 CO 0.02 -0.08 0.51 -0.33 -0.34 0.00 0.00 178.44 178.22 2kb2 h GLU 110 N 0.19 0.92 -0.41 1.25 4.39 -1.24 -2.45 114.58 117.23 2kb2 h GLU 110 Ca 0.38 -0.06 0.06 0.00 0.34 0.00 0.00 59.36 60.09 2kb2 h GLU 110 Cb 0.63 -0.21 -0.09 0.00 -0.10 0.00 0.00 28.75 28.99 2kb2 h GLU 110 CO -0.53 0.61 -0.47 0.93 -1.16 0.00 0.00 179.01 178.39 2kb2 h GLU 111 N 0.95 -0.33 -0.38 2.33 4.39 0.13 0.74 114.58 122.40 2kb2 h GLU 111 Ca 0.35 0.02 0.06 0.00 0.34 0.00 0.00 59.36 60.13 2kb2 h GLU 111 Cb 0.12 0.08 -0.08 0.00 -0.10 0.00 0.00 28.75 28.77 2kb2 h GLU 111 CO -0.16 -0.22 -0.51 0.82 -1.16 0.00 0.00 179.01 177.78 2kb2 h ILE 112 N -0.35 0.04 -0.70 3.13 5.03 -1.11 -0.47 117.51 123.09 2kb2 h ILE 112 Ca 0.12 0.00 0.15 0.00 -0.12 0.00 0.00 64.86 65.01 2kb2 h ILE 112 Cb 0.59 0.04 -0.13 0.00 -3.03 0.00 0.00 36.82 34.30 2kb2 h ILE 112 CO -0.58 0.00 -0.07 -0.07 -0.68 0.00 0.00 178.15 176.75 2kb2 h LEU 113 N -0.40 -0.45 -1.21 1.44 -0.00 -0.98 1.16 115.31 114.87 2kb2 h LEU 113 Ca 0.09 0.19 0.25 0.00 -0.00 0.00 0.00 57.88 58.42 2kb2 h LEU 113 Cb 0.60 0.36 -0.10 0.00 -0.00 0.00 0.00 40.66 41.52 2kb2 h LEU 113 CO -0.57 -0.19 0.64 0.03 -0.00 0.00 0.00 178.44 178.35 2kb2 h ARG 114 N 0.06 0.48 0.00 1.13 3.08 0.80 -1.56 114.38 118.37 2kb2 h ARG 114 Ca 0.36 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.38 2kb2 h ARG 114 Cb 0.60 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.54 2kb2 h ARG 114 CO -0.66 0.31 -0.04 1.97 -1.07 0.00 0.00 179.97 180.49 2kb2 n PHE 115 N -4.72 0.00 -0.03 3.04 1.16 0.13 -4.77 117.46 112.26 2kb2 n PHE 115 Ca 0.26 -0.71 -0.07 0.00 -1.87 0.00 0.00 57.45 55.06 2kb2 n PHE 115 Cb 0.80 -0.10 -0.03 0.00 -1.61 0.00 0.00 39.48 38.55 2kb2 n PHE 115 CO 0.00 0.00 0.00 0.45 -1.87 0.00 0.00 176.76 175.34 2kb2 n SER 116 N -0.95 1.35 -3.31 5.98 2.88 0.38 -4.79 113.62 115.16 2kb2 n SER 116 Ca 0.09 0.05 -0.17 0.00 -1.33 0.00 0.00 58.87 57.51 2kb2 n SER 116 Cb 0.51 -0.17 0.01 0.00 -0.75 0.00 0.00 64.21 63.81 2kb2 n SER 116 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 2kb2 n THR 117 N -3.13 -7.19 -1.43 2.46 -2.24 -0.66 -4.61 114.28 97.48 2kb2 n THR 117 Ca -0.13 0.14 -0.50 0.00 -2.27 0.00 0.00 64.05 61.29 2kb2 n THR 117 Cb 0.60 -5.20 -0.08 0.00 -2.10 0.00 0.00 70.33 63.55 2kb2 n THR 117 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 2kb2 n PHE 118 N -1.35 1.44 0.42 4.78 3.01 -1.26 -4.78 117.46 119.71 2kb2 n PHE 118 Ca -0.08 0.35 0.11 0.00 1.01 0.00 0.00 57.45 58.84 2kb2 n PHE 118 Cb 0.58 -2.49 0.26 0.00 -0.01 0.00 0.00 39.48 37.82 2kb2 n PHE 118 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2kb2 n GLY 119 N 6.65 1.50 3.55 1.37 0.00 -1.26 -4.96 105.19 112.05 2kb2 n GLY 119 Ca 0.45 -0.67 -0.30 0.00 0.00 0.00 0.00 46.02 45.50 2kb2 n GLY 119 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2kb2 s VAL 120 N -1.48 1.53 -0.00 1.61 -7.23 -1.26 -5.00 120.40 108.57 2kb2 s VAL 120 Ca 0.38 0.00 -0.08 0.00 -1.81 0.00 0.00 61.98 60.47 2kb2 s VAL 120 Cb 0.22 -2.44 -0.04 0.00 0.56 0.00 0.00 36.38 34.68 2kb2 s VAL 120 CO 0.30 0.00 0.73 0.74 -0.31 0.00 0.00 175.10 176.56 2kb2 h THR 121 N -2.73 0.00 -3.48 5.32 2.02 -2.02 -3.46 112.91 108.57 2kb2 h THR 121 Ca -0.44 -0.14 -0.35 0.00 0.77 0.00 0.00 66.41 66.25 2kb2 h THR 121 Cb 1.30 0.00 -0.34 0.00 -1.74 0.00 0.00 68.15 67.36 2kb2 h THR 121 CO 0.32 0.00 -0.75 -1.61 0.37 0.00 0.00 175.52 173.85 2kb2 s GLU 122 N -2.93 0.33 0.54 6.66 0.41 -1.26 -5.03 118.70 117.42 2kb2 s GLU 122 Ca -0.04 0.08 0.31 0.00 -0.41 0.00 0.00 54.97 54.90 2kb2 s GLU 122 Cb 0.00 -0.52 1.50 0.00 -1.78 0.00 0.00 34.13 33.33 2kb2 s GLU 122 CO 0.13 -0.15 2.06 -1.35 -0.49 0.00 0.00 175.26 175.46 2kb2 h PRO 123 N 7.34 0.00 -0.44 0.39 0.11 -1.95 -2.58 132.00 134.86 2kb2 h PRO 123 Ca -0.40 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 65.58 2kb2 h PRO 123 Cb 1.13 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.23 2kb2 h PRO 123 CO 0.45 0.09 -0.22 -0.39 -0.21 0.00 0.00 178.00 177.72 2kb2 h VAL 124 N 0.00 1.27 -0.02 3.15 -1.51 -1.99 -3.04 116.25 114.12 2kb2 h VAL 124 Ca -0.00 -1.36 0.00 0.00 -1.23 0.00 0.00 66.70 64.11 2kb2 h VAL 124 Cb 0.39 1.17 0.00 0.00 -2.13 0.00 0.00 31.29 30.72 2kb2 h VAL 124 CO 0.01 0.46 -0.16 -0.46 -1.23 0.00 0.00 177.57 176.20 2kb2 n ASN 125 N -4.11 2.06 -4.61 4.19 0.23 -1.09 -4.89 115.26 107.05 2kb2 n ASN 125 Ca 0.00 -1.57 -0.43 0.00 -0.53 0.00 0.00 54.58 52.05 2kb2 n ASN 125 Cb 0.45 0.14 -0.03 0.00 -2.08 0.00 0.00 39.78 38.26 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 -2.20 5.97 0.54 0.53 2.15 -0.99 -4.85 116.67 117.81 2kb2 s ASP 126 Ca 0.28 1.42 0.30 0.00 0.43 0.00 0.00 52.55 54.98 2kb2 s ASP 126 Cb 0.20 -2.53 1.46 0.00 -0.30 0.00 0.00 42.92 41.75 2kb2 s ASP 126 CO 0.41 -1.63 1.92 0.03 -0.17 0.00 0.00 175.17 175.73 2kb2 h ARG 127 N 12.56 0.00 -0.02 4.34 2.47 -1.90 -1.01 114.38 130.82 2kb2 h ARG 127 Ca -0.34 0.00 -0.03 0.00 -1.26 0.00 0.00 59.98 58.35 2kb2 h ARG 127 Cb 1.17 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.49 2kb2 h ARG 127 CO 1.02 0.00 -0.09 1.98 0.56 0.00 0.00 179.97 183.44 2kb2 h MET 128 N 0.00 0.09 0.00 0.04 1.85 -1.94 -3.17 114.93 111.80 2kb2 h MET 128 Ca 0.37 -0.08 -0.01 0.00 -0.61 0.00 0.00 59.70 59.38 2kb2 h MET 128 Cb 1.51 0.02 -0.00 0.00 0.43 0.00 0.00 31.60 33.56 2kb2 h MET 128 CO -0.00 0.75 -0.02 0.35 -0.40 0.00 0.00 176.91 177.58 2kb2 h PHE 129 N -0.55 0.00 -0.28 1.39 3.57 -1.49 0.20 116.94 119.78 2kb2 h PHE 129 Ca -0.01 0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.53 2kb2 h PHE 129 Cb 0.77 0.00 -0.04 0.00 2.79 0.00 0.00 35.95 39.48 2kb2 h PHE 129 CO 0.16 0.02 0.05 0.00 -2.23 0.00 0.00 178.31 176.32 2kb2 h ARG 130 N 0.00 0.15 0.08 1.11 2.47 -1.30 -0.15 114.38 116.74 2kb2 h ARG 130 Ca -0.00 -0.01 -0.12 0.00 -1.26 0.00 0.00 59.98 58.59 2kb2 h ARG 130 Cb 0.06 -0.03 0.01 0.00 -1.65 0.00 0.00 29.97 28.36 2kb2 h ARG 130 CO 0.00 0.10 -0.52 -0.07 0.56 0.00 0.00 179.97 180.05 2kb2 h LEU 131 N 0.16 0.31 -0.37 3.04 3.38 -1.42 -2.94 115.31 117.46 2kb2 h LEU 131 Ca 0.13 -0.94 0.05 0.00 0.09 0.00 0.00 57.88 57.21 2kb2 h LEU 131 Cb 0.14 -0.10 -0.08 0.00 0.09 0.00 0.00 40.66 40.70 2kb2 h LEU 131 CO -0.17 1.23 -0.53 0.25 0.09 0.00 0.00 178.44 179.31 2kb2 h LEU 132 N -0.55 -1.76 -1.23 1.67 5.85 -0.54 0.23 115.31 118.98 2kb2 h LEU 132 Ca -0.09 0.23 -0.01 0.00 0.84 0.00 0.00 57.88 58.86 2kb2 h LEU 132 Cb 1.38 0.72 -0.00 0.00 0.37 0.00 0.00 40.66 43.14 2kb2 h LEU 132 CO 0.10 -0.41 -0.04 0.77 -0.34 0.00 0.00 178.44 178.51 2kb2 h SER 133 N -0.41 0.00 0.72 1.25 4.64 -1.18 -1.48 113.55 117.09 2kb2 h SER 133 Ca 0.08 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 61.25 2kb2 h SER 133 Cb 0.61 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.68 2kb2 h SER 133 CO -0.57 0.04 -0.72 0.00 -0.87 0.00 0.00 176.83 174.71 2kb2 h ALA 134 N 1.96 0.81 0.05 5.18 0.00 -0.75 0.21 119.26 126.72 2kb2 h ALA 134 Ca -0.00 -0.65 -0.27 0.00 0.00 0.00 0.00 54.91 53.98 2kb2 h ALA 134 Cb 0.61 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.26 2kb2 h ALA 134 CO 0.01 0.90 -1.42 0.35 0.00 0.00 0.00 179.25 179.09 2kb2 h PHE 135 N 0.00 0.19 -0.10 0.00 3.57 -0.32 0.22 116.94 120.50 2kb2 h PHE 135 Ca -0.01 -0.14 -0.14 0.00 3.53 0.00 0.00 57.97 61.22 2kb2 h PHE 135 Cb 1.27 -0.01 -0.01 0.00 2.79 0.00 0.00 35.95 39.99 2kb2 h PHE 135 CO 0.00 1.16 -0.55 0.82 -2.23 0.00 0.00 178.31 177.52 2kb2 h ILE 136 N 0.03 1.36 0.00 1.41 5.03 -1.20 0.13 117.51 124.27 2kb2 h ILE 136 Ca -0.18 -1.84 -0.03 0.00 -0.12 0.00 0.00 64.86 62.68 2kb2 h ILE 136 Cb 1.94 1.89 -0.00 0.00 -3.03 0.00 0.00 36.82 37.62 2kb2 h ILE 136 CO 0.13 0.55 -0.48 0.00 -0.68 0.00 0.00 178.15 177.67 2kb2 h ALA 137 N 1.21 0.03 0.00 1.87 0.00 -0.63 -3.31 119.26 118.43 2kb2 h ALA 137 Ca 0.00 -0.49 -0.16 0.00 0.00 0.00 0.00 54.91 54.26 2kb2 h ALA 137 Cb 1.03 0.42 -0.03 0.00 0.00 0.00 0.00 17.79 19.21 2kb2 h ALA 137 CO 0.09 0.41 -2.11 -0.25 0.00 0.00 0.00 179.25 177.38 2kb2 n ASP 138 N -4.63 0.06 0.19 0.00 8.00 0.70 -4.29 116.55 116.58 2kb2 n ASP 138 Ca -0.09 0.03 0.18 0.00 0.71 0.00 0.00 54.79 55.61 2kb2 n ASP 138 Cb 0.27 1.46 0.82 0.00 -0.02 0.00 0.00 41.12 43.65 2kb2 n ASP 138 CO 0.00 0.00 0.00 1.23 -0.39 0.00 0.00 177.20 178.04 2kb2 h GLY 139 N 3.98 0.00 -6.56 0.44 0.00 0.05 -3.13 103.07 97.86 2kb2 h GLY 139 Ca -0.24 0.00 -0.60 0.00 0.00 0.00 0.00 47.33 46.49 2kb2 h GLY 139 CO 0.02 0.00 -0.73 0.61 0.00 0.00 0.00 176.54 176.43 2kb2 n GLY 140 N -1.41 3.69 3.24 4.60 0.00 -1.13 -4.83 105.19 109.35 2kb2 n GLY 140 Ca 0.02 -2.24 -0.42 0.00 0.00 0.00 0.00 46.02 43.38 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 -1.39 3.54 0.56 1.61 1.81 -1.19 -4.86 118.95 119.03 2kb2 s ARG 141 Ca 0.32 -2.92 0.37 0.00 -1.72 0.00 0.00 55.73 51.78 2kb2 s ARG 141 Cb 0.05 -4.23 1.85 0.00 -0.45 0.00 0.00 34.95 32.17 2kb2 s ARG 141 CO -0.13 -1.25 2.13 0.10 -0.68 0.00 0.00 175.30 175.47 2kb2 h TYR 142 N 6.86 0.00 0.00 -0.53 -0.00 -1.95 -3.46 116.97 117.89 2kb2 h TYR 142 Ca 0.12 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.85 2kb2 h TYR 142 Cb 0.92 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 37.65 2kb2 h TYR 142 CO 0.82 0.00 0.00 0.00 -0.00 0.00 0.00 178.16 178.98 2kb2 s LEU 144 N 0.00 2.99 0.51 0.00 2.01 -1.26 -5.11 118.68 117.82 2kb2 s LEU 144 Ca 0.00 -0.11 -0.20 0.00 0.01 0.00 0.00 54.13 53.83 2kb2 s LEU 144 Cb 0.00 -1.64 -0.07 0.00 0.01 0.00 0.00 46.19 44.49 2kb2 s LEU 144 CO 0.00 0.33 1.10 -2.16 1.01 0.00 0.00 176.35 176.63 2kb2 s PRO 145 N -0.63 3.59 -0.24 1.29 0.04 -1.26 -5.00 135.00 132.77 2kb2 s PRO 145 Ca 0.09 1.55 -0.26 0.00 0.04 0.00 0.00 61.00 62.43 2kb2 s PRO 145 Cb -0.11 -2.12 -0.00 0.00 0.04 0.00 0.00 34.50 32.31 2kb2 s PRO 145 CO 0.01 -0.64 0.89 -1.21 0.04 0.00 0.00 177.00 176.09 2kb2 s GLU 146 N -3.14 4.19 0.00 4.56 8.01 -1.26 -4.92 118.70 126.14 2kb2 s GLU 146 Ca 0.69 1.04 0.16 0.00 0.01 0.00 0.00 54.97 56.87 2kb2 s GLU 146 Cb -0.22 -3.65 0.93 0.00 -4.31 0.00 0.00 34.13 26.88 2kb2 s GLU 146 CO 0.26 -0.57 1.61 -0.35 0.01 0.00 0.00 175.26 176.22 2kb2 n PRO 147 N 6.12 1.05 0.00 0.39 -0.04 -1.26 -5.32 135.00 135.94 2kb2 n PRO 147 Ca 0.07 -0.07 0.13 0.00 -0.04 0.00 0.00 63.50 63.59 2kb2 n PRO 147 Cb 0.47 -1.26 0.21 0.00 -0.04 0.00 0.00 33.50 32.89 2kb2 n PRO 147 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35