#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 1.95 0.16 1.61 0.41 -1.26 -5.16 118.70 116.41 2kb2 s GLU 2 Ca 0.00 -2.10 0.11 0.00 -0.41 0.00 0.00 54.97 52.56 2kb2 s GLU 2 Cb 0.00 -1.60 -0.04 0.00 -1.78 0.00 0.00 34.13 30.71 2kb2 s GLU 2 CO 0.00 -0.06 -0.24 0.12 -0.49 0.00 0.00 175.26 174.58 2kb2 s PHE 3 N -2.75 2.24 0.93 1.61 5.36 -1.26 -5.12 117.98 118.98 2kb2 s PHE 3 Ca 0.35 -0.38 -0.11 0.00 -0.96 0.00 0.00 56.93 55.82 2kb2 s PHE 3 Cb 0.10 -1.15 0.09 0.00 -0.34 0.00 0.00 43.02 41.72 2kb2 s PHE 3 CO 0.18 0.41 0.81 -1.33 -1.46 0.00 0.00 175.22 173.83 2kb2 n MET 4 N 0.54 -0.35 -4.71 10.12 2.81 -1.26 -5.01 117.12 119.26 2kb2 n MET 4 Ca -0.15 -0.05 -0.32 0.00 -1.81 0.00 0.00 57.70 55.38 2kb2 n MET 4 Cb 0.55 -2.14 -0.07 0.00 -0.71 0.00 0.00 33.22 30.85 2kb2 n MET 4 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 2kb2 s LEU 5 N -4.01 2.14 0.08 4.03 1.02 -0.72 -4.51 118.68 116.71 2kb2 s LEU 5 Ca 0.63 -1.71 -0.23 0.00 0.02 0.00 0.00 54.13 52.84 2kb2 s LEU 5 Cb -0.23 -0.51 0.06 0.00 0.02 0.00 0.00 46.19 45.53 2kb2 s LEU 5 CO 0.62 -0.94 0.55 -0.89 0.02 0.00 0.00 176.35 175.71 2kb2 s THR 6 N -2.98 0.02 -0.42 5.49 2.01 0.20 -0.04 115.64 119.92 2kb2 s THR 6 Ca 0.07 -0.18 0.02 0.00 0.31 0.00 0.00 61.69 61.92 2kb2 s THR 6 Cb 0.01 -1.01 0.12 0.00 0.01 0.00 0.00 72.50 71.63 2kb2 s THR 6 CO 0.05 -0.10 0.19 -0.89 -0.69 0.00 0.00 174.62 173.18 2kb2 s THR 7 N -2.83 1.73 -0.16 -0.82 2.01 0.28 0.13 115.64 115.99 2kb2 s THR 7 Ca -0.03 -2.52 -0.20 0.00 0.31 0.00 0.00 61.69 59.25 2kb2 s THR 7 Cb -0.00 -2.23 -0.03 0.00 0.01 0.00 0.00 72.50 70.24 2kb2 s THR 7 CO -0.05 -0.79 0.59 -0.22 -0.69 0.00 0.00 174.62 173.46 2kb2 s LEU 8 N 0.49 4.21 0.03 4.42 0.20 0.17 -2.22 118.68 125.97 2kb2 s LEU 8 Ca 0.15 0.87 0.08 0.00 0.69 0.00 0.00 54.13 55.92 2kb2 s LEU 8 Cb -0.23 -2.85 -0.02 0.00 -0.43 0.00 0.00 46.19 42.66 2kb2 s LEU 8 CO -0.05 -0.16 -0.22 -0.63 -0.29 0.00 0.00 176.35 174.99 2kb2 s ILE 9 N 1.36 1.77 0.24 6.68 1.01 -0.12 -0.35 121.20 131.79 2kb2 s ILE 9 Ca 0.29 -1.20 -0.09 0.00 0.00 0.00 0.00 60.65 59.65 2kb2 s ILE 9 Cb -0.16 -1.52 -0.01 0.00 0.01 0.00 0.00 42.46 40.77 2kb2 s ILE 9 CO 0.12 0.28 0.38 -0.72 0.00 0.00 0.00 174.94 175.00 2kb2 s TYR 10 N -0.75 0.61 -0.08 3.97 -0.85 -0.56 0.11 117.35 119.79 2kb2 s TYR 10 Ca 0.08 -0.93 -0.04 0.00 -0.52 0.00 0.00 57.07 55.67 2kb2 s TYR 10 Cb -0.09 -0.02 0.04 0.00 0.38 0.00 0.00 41.96 42.27 2kb2 s TYR 10 CO 0.01 -0.90 0.18 -0.98 -1.52 0.00 0.00 175.55 172.34 2kb2 s ARG 11 N -4.02 0.12 0.00 -3.49 1.70 -0.61 -0.58 118.95 112.07 2kb2 s ARG 11 Ca 0.27 0.45 0.00 0.00 -0.47 0.00 0.00 55.73 55.98 2kb2 s ARG 11 Cb 0.01 -0.17 0.00 0.00 -0.57 0.00 0.00 34.95 34.22 2kb2 s ARG 11 CO 0.10 -0.19 0.00 -1.13 -1.08 0.00 0.00 175.30 173.01 2kb2 n SER 12 N 4.40 1.64 0.00 -2.89 3.41 0.37 -0.71 113.62 119.84 2kb2 n SER 12 Ca -0.23 -0.12 0.00 0.00 -0.26 0.00 0.00 58.87 58.26 2kb2 n SER 12 Cb 0.52 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.47 2kb2 n SER 12 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2kb2 n GLN 13 N -0.02 0.32 -3.17 4.33 6.02 0.16 -2.05 117.38 122.98 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 -3.35 5.09 3.14 0.37 -3.41 118.33 120.17 2kb2 n VAL 14 Ca 0.00 -0.25 -0.46 0.00 -2.96 0.00 0.00 64.34 60.67 2kb2 n VAL 14 Cb 0.00 0.46 -0.04 0.00 -1.06 0.00 0.00 33.84 33.20 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 -2.93 3.57 -0.46 1.45 3.76 -1.26 -4.70 115.29 114.72 2kb2 s HIS 15 Ca 0.18 -1.79 0.11 0.00 -0.15 0.00 0.00 55.06 53.40 2kb2 s HIS 15 Cb -0.01 -3.78 0.58 0.00 1.11 0.00 0.00 32.58 30.48 2kb2 s HIS 15 CO 0.02 -0.99 1.28 -0.35 -0.85 0.00 0.00 174.74 173.85 2kb2 n PRO 16 N 4.40 0.07 -0.07 8.40 -0.04 -1.26 -0.90 135.00 145.60 2kb2 n PRO 16 Ca 0.04 0.54 -0.09 0.00 -0.04 0.00 0.00 63.50 63.95 2kb2 n PRO 16 Cb 0.44 -1.81 -0.15 0.00 -0.04 0.00 0.00 33.50 31.94 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 -1.86 0.23 -3.93 3.54 -0.08 -1.26 -4.98 116.55 108.21 2kb2 n ASP 17 Ca -0.01 0.11 -0.26 0.00 -1.51 0.00 0.00 54.79 53.13 2kb2 n ASP 17 Cb 0.09 0.76 0.17 0.00 2.34 0.00 0.00 41.12 44.48 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 -2.81 -0.89 -2.32 -0.67 1.85 -0.08 -5.10 116.66 106.64 2kb2 n ARG 18 Ca -0.27 -2.08 -0.26 0.00 -1.00 0.00 0.00 57.85 54.24 2kb2 n ARG 18 Cb 1.10 -1.09 0.13 0.00 -1.05 0.00 0.00 32.46 31.56 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 -5.48 1.33 1.03 2.89 0.05 -1.26 -4.94 135.00 128.62 2kb2 s PRO 19 Ca 0.67 -0.80 -0.14 0.00 0.05 0.00 0.00 61.00 60.78 2kb2 s PRO 19 Cb -0.02 -2.14 0.10 0.00 0.05 0.00 0.00 34.50 32.48 2kb2 s PRO 19 CO 0.47 -1.79 0.42 -2.30 0.05 0.00 0.00 177.00 173.85 2kb2 n PRO 20 N -3.18 -0.96 -3.52 0.56 -0.02 -1.26 -4.95 135.00 121.66 2kb2 n PRO 20 Ca 0.15 -0.25 -0.27 0.00 -2.02 0.00 0.00 63.50 61.11 2kb2 n PRO 20 Cb 0.60 -1.90 -0.03 0.00 -0.02 0.00 0.00 33.50 32.16 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 -2.37 5.13 -1.22 -1.45 1.01 -1.26 -4.99 120.40 115.25 2kb2 s VAL 21 Ca 0.59 -0.28 -0.06 0.00 0.00 0.00 0.00 61.98 62.22 2kb2 s VAL 21 Cb -0.19 -3.77 0.06 0.00 0.00 0.00 0.00 36.38 32.48 2kb2 s VAL 21 CO 0.66 -0.31 2.60 0.47 0.00 0.00 0.00 175.10 178.51 2kb2 n ASP 22 N -1.03 7.88 0.00 3.32 9.92 -1.26 -4.75 116.55 130.63 2kb2 n ASP 22 Ca -0.04 -3.02 0.00 0.00 -0.53 0.00 0.00 54.79 51.20 2kb2 n ASP 22 Cb 0.54 -1.38 0.00 0.00 -0.64 0.00 0.00 41.12 39.64 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 1.99 0.00 -0.12 0.64 4.77 -1.26 0.15 117.00 123.18 2kb2 n LEU 23 Ca 0.63 0.00 -0.19 0.00 -0.03 0.00 0.00 56.01 56.42 2kb2 n LEU 23 Cb 0.31 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.30 2kb2 n LEU 23 CO 0.65 0.00 -1.27 -0.67 -1.33 0.00 0.00 177.39 174.77 2kb2 n ASP 24 N -0.69 2.07 0.06 -1.43 -0.08 -1.26 -4.23 116.55 110.99 2kb2 n ASP 24 Ca 0.00 0.01 -0.03 0.00 -1.51 0.00 0.00 54.79 53.27 2kb2 n ASP 24 Cb 0.00 -0.47 -0.07 0.00 2.34 0.00 0.00 41.12 42.92 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 -0.28 0.61 -0.51 -1.67 0.00 -0.51 -2.64 119.26 114.25 2kb2 h ALA 25 Ca -0.54 -0.86 -0.10 0.00 0.00 0.00 0.00 54.91 53.40 2kb2 h ALA 25 Cb 1.70 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 19.58 2kb2 h ALA 25 CO -0.17 1.04 -0.08 1.25 0.00 0.00 0.00 179.25 181.29 2kb2 h LEU 26 N 0.00 0.96 0.16 0.00 6.46 0.11 -2.87 115.31 120.12 2kb2 h LEU 26 Ca -0.10 -0.34 -0.34 0.00 -0.12 0.00 0.00 57.88 56.98 2kb2 h LEU 26 Cb 1.65 -0.26 0.00 0.00 -0.73 0.00 0.00 40.66 41.32 2kb2 h LEU 26 CO 0.08 1.08 -1.72 1.62 -0.62 0.00 0.00 178.44 178.88 2kb2 h VAL 27 N 0.83 0.96 -0.12 1.05 3.04 -1.74 -3.35 116.25 116.91 2kb2 h VAL 27 Ca 0.14 -2.58 0.04 0.00 -1.01 0.00 0.00 66.70 63.29 2kb2 h VAL 27 Cb 0.63 2.73 -0.07 0.00 -2.01 0.00 0.00 31.29 32.57 2kb2 h VAL 27 CO 0.04 0.84 -0.42 -0.74 -1.01 0.00 0.00 177.57 176.28 2kb2 h HIS 28 N 0.09 -1.21 -0.35 3.17 -0.00 -1.47 0.17 115.15 115.55 2kb2 h HIS 28 Ca -0.32 0.05 0.10 0.00 -0.00 0.00 0.00 60.37 60.20 2kb2 h HIS 28 Cb 2.07 0.55 -0.01 0.00 -0.00 0.00 0.00 27.41 30.01 2kb2 h HIS 28 CO 0.09 -0.48 0.36 0.00 -0.00 0.00 0.00 177.93 177.89 2kb2 h ARG 29 N -0.50 0.00 0.01 5.26 -0.00 -1.69 -2.57 114.38 114.89 2kb2 h ARG 29 Ca 0.07 0.00 -0.00 0.00 -0.50 0.00 0.00 59.98 59.55 2kb2 h ARG 29 Cb 0.63 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.60 2kb2 h ARG 29 CO -0.39 0.00 -0.00 0.00 0.00 0.00 0.00 179.97 179.57 2kb2 h ALA 30 N 1.61 -0.01 -0.99 0.04 0.00 -0.92 -3.28 119.26 115.72 2kb2 h ALA 30 Ca 0.16 -0.19 0.28 0.00 0.00 0.00 0.00 54.91 55.16 2kb2 h ALA 30 Cb 0.88 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.62 2kb2 h ALA 30 CO -0.00 -0.01 0.70 1.03 0.00 0.00 0.00 179.25 180.96 2kb2 h SER 31 N -1.00 0.11 0.73 0.00 0.87 -0.59 0.26 113.55 113.93 2kb2 h SER 31 Ca -0.00 0.02 -0.15 0.00 -1.23 0.00 0.00 61.79 60.42 2kb2 h SER 31 Cb 0.39 -0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.33 2kb2 h SER 31 CO 0.00 0.03 -0.71 -1.28 -0.53 0.00 0.00 176.83 174.34 2kb2 h SER 32 N 0.10 0.00 0.05 6.23 0.87 -1.60 -2.59 113.55 116.61 2kb2 h SER 32 Ca 0.49 0.00 -0.20 0.00 -1.23 0.00 0.00 61.79 60.85 2kb2 h SER 32 Cb 1.76 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.71 2kb2 h SER 32 CO -0.06 0.71 -1.02 0.50 -0.53 0.00 0.00 176.83 176.43 2kb2 h LYS 33 N 0.00 0.11 -0.55 2.24 3.64 -0.64 -3.38 116.57 117.99 2kb2 h LYS 33 Ca -0.01 -0.19 -0.04 0.00 -1.27 0.00 0.00 60.65 59.15 2kb2 h LYS 33 Cb 1.27 0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 33.14 2kb2 h LYS 33 CO 0.09 1.09 0.20 -0.91 -2.27 0.00 0.00 179.45 177.66 2kb2 h ASN 34 N -0.69 0.77 -0.22 4.20 4.21 -1.14 -2.56 115.58 120.16 2kb2 h ASN 34 Ca -0.24 -0.18 0.03 0.00 1.21 0.00 0.00 56.30 57.12 2kb2 h ASN 34 Cb 1.44 -0.20 -0.07 0.00 -1.12 0.00 0.00 38.32 38.37 2kb2 h ASN 34 CO -0.04 0.75 -0.51 0.25 -1.29 0.00 0.00 177.43 176.59 2kb2 h LEU 35 N 0.76 -1.66 -1.36 1.61 5.85 -1.54 0.28 115.31 119.24 2kb2 h LEU 35 Ca 0.18 0.21 -0.05 0.00 0.84 0.00 0.00 57.88 59.05 2kb2 h LEU 35 Cb 0.23 0.66 -0.01 0.00 0.37 0.00 0.00 40.66 41.91 2kb2 h LEU 35 CO -0.01 -0.42 -0.26 1.55 -0.34 0.00 0.00 178.44 178.96 2kb2 h PRO 36 N -0.48 0.00 0.00 5.25 0.13 -1.74 -2.44 132.00 132.72 2kb2 h PRO 36 Ca 0.04 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.16 2kb2 h PRO 36 Cb 0.60 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.73 2kb2 h PRO 36 CO -0.46 0.26 -0.06 -0.07 -0.23 0.00 0.00 178.00 177.43 2kb2 h LEU 37 N 0.00 0.00 0.00 1.56 4.07 -0.79 -3.46 115.31 116.69 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 0.63 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.37 2kb2 h LEU 37 CO 0.03 0.06 0.00 0.61 -1.08 0.00 0.00 178.44 178.07 2kb2 n GLY 38 N 0.41 0.76 3.83 0.83 0.00 0.67 -4.97 105.19 106.72 2kb2 n GLY 38 Ca 0.02 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.24 4.73 0.06 -0.61 1.01 0.54 -4.62 121.20 120.07 2kb2 s ILE 39 Ca 0.00 1.07 -0.00 0.00 0.00 0.00 0.00 60.65 61.72 2kb2 s ILE 39 Cb 0.00 -3.81 -0.04 0.00 0.01 0.00 0.00 42.46 38.62 2kb2 s ILE 39 CO 0.00 0.29 -0.04 0.42 0.00 0.00 0.00 174.94 175.61 2kb2 s THR 40 N -1.42 0.35 -4.10 2.92 -4.23 -1.18 -3.73 115.64 104.25 2kb2 s THR 40 Ca 0.38 -1.72 0.00 0.00 -1.18 0.00 0.00 61.69 59.17 2kb2 s THR 40 Cb -0.17 -1.39 0.00 0.00 1.34 0.00 0.00 72.50 72.28 2kb2 s THR 40 CO 0.20 -0.89 0.00 0.61 -0.54 0.00 0.00 174.62 174.00 2kb2 n GLY 41 N 0.28 -0.82 3.29 3.99 0.00 -0.08 0.38 105.19 112.23 2kb2 n GLY 41 Ca -0.15 -1.07 -0.12 0.00 0.00 0.00 0.00 46.02 44.68 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 0.07 0.31 -0.61 2.07 -0.48 -3.64 121.20 115.93 2kb2 s ILE 42 Ca 0.00 -0.60 0.11 0.00 -1.41 0.00 0.00 60.65 58.75 2kb2 s ILE 42 Cb 0.00 -1.02 -0.06 0.00 0.13 0.00 0.00 42.46 41.51 2kb2 s ILE 42 CO 0.00 -0.33 -0.15 -0.76 -1.91 0.00 0.00 174.94 171.79 2kb2 s LEU 43 N -2.25 2.66 0.03 8.50 1.43 -0.30 -0.52 118.68 128.24 2kb2 s LEU 43 Ca -0.03 -1.10 -0.04 0.00 -1.03 0.00 0.00 54.13 51.94 2kb2 s LEU 43 Cb 0.00 -1.07 -0.02 0.00 0.03 0.00 0.00 46.19 45.14 2kb2 s LEU 43 CO -0.05 -0.07 0.05 -0.76 0.23 0.00 0.00 176.35 175.75 2kb2 s LEU 44 N -3.56 1.98 -0.14 1.79 1.02 0.16 0.92 118.68 120.86 2kb2 s LEU 44 Ca 0.31 -0.58 -0.09 0.00 0.02 0.00 0.00 54.13 53.79 2kb2 s LEU 44 Cb -0.02 0.44 0.05 0.00 0.02 0.00 0.00 46.19 46.68 2kb2 s LEU 44 CO 0.16 -0.47 0.36 0.12 0.02 0.00 0.00 176.35 176.53 2kb2 s PHE 45 N -2.50 -0.48 0.00 0.29 5.36 -0.54 -2.01 117.98 118.11 2kb2 s PHE 45 Ca -0.06 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 -0.27 0.89 0.27 -1.46 0.00 0.00 175.22 174.60 2kb2 n ASN 46 N 3.87 1.65 0.00 6.13 0.23 -1.12 0.82 115.26 126.84 2kb2 n ASN 46 Ca -0.21 -1.79 0.00 0.00 -0.53 0.00 0.00 54.58 52.05 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 -0.39 0.50 0.00 4.83 0.00 -1.26 -4.76 105.19 104.11 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 -4.28 0.99 -0.00 -1.26 -4.91 117.00 107.54 2kb2 n LEU 48 Ca 0.00 0.00 -0.23 0.00 -0.00 0.00 0.00 56.01 55.78 2kb2 n LEU 48 Cb 0.00 0.00 -0.12 0.00 -0.00 0.00 0.00 43.42 43.30 2kb2 n LEU 48 CO 0.00 0.00 -0.51 -1.10 -0.00 0.00 0.00 177.39 175.78 2kb2 s GLN 49 N -1.00 1.10 -0.33 1.96 -0.21 -1.26 -0.48 119.66 119.44 2kb2 s GLN 49 Ca 0.00 -1.14 -0.04 0.00 0.02 0.00 0.00 55.36 54.20 2kb2 s GLN 49 Cb 0.00 -1.34 0.06 0.00 1.00 0.00 0.00 33.01 32.72 2kb2 s GLN 49 CO 0.00 0.31 0.07 -0.06 -2.12 0.00 0.00 175.29 173.49 2kb2 s PHE 50 N -1.17 3.31 -0.19 0.91 0.08 -0.87 -2.80 117.98 117.25 2kb2 s PHE 50 Ca 0.06 -1.78 -0.11 0.00 0.12 0.00 0.00 56.93 55.22 2kb2 s PHE 50 Cb -0.10 -2.35 -0.05 0.00 -0.57 0.00 0.00 43.02 39.95 2kb2 s PHE 50 CO 0.04 -0.80 0.17 0.12 -0.10 0.00 0.00 175.22 174.65 2kb2 s PHE 51 N 1.30 3.41 -0.07 0.36 5.36 -0.85 -0.48 117.98 127.01 2kb2 s PHE 51 Ca -0.02 0.39 0.01 0.00 -0.96 0.00 0.00 56.93 56.35 2kb2 s PHE 51 Cb -0.20 -2.21 0.02 0.00 -0.34 0.00 0.00 43.02 40.28 2kb2 s PHE 51 CO -0.00 0.26 -0.08 -1.14 -1.46 0.00 0.00 175.22 172.80 2kb2 s GLN 52 N 0.45 1.31 -0.51 10.12 0.74 0.25 0.40 119.66 132.42 2kb2 s GLN 52 Ca 0.10 -0.24 -0.18 0.00 0.05 0.00 0.00 55.36 55.09 2kb2 s GLN 52 Cb -0.12 -1.26 0.07 0.00 1.10 0.00 0.00 33.01 32.81 2kb2 s GLN 52 CO -0.00 -0.11 0.55 0.08 -0.55 0.00 0.00 175.29 175.26 2kb2 s VAL 53 N 1.12 5.01 -0.08 1.34 1.01 0.33 -1.50 120.40 127.62 2kb2 s VAL 53 Ca -0.07 -0.82 -0.01 0.00 0.00 0.00 0.00 61.98 61.08 2kb2 s VAL 53 Cb -0.14 -4.28 -0.03 0.00 0.00 0.00 0.00 36.38 31.93 2kb2 s VAL 53 CO -0.01 -0.79 -0.03 -0.22 0.00 0.00 0.00 175.10 174.05 2kb2 s LEU 54 N 2.25 3.38 0.31 3.92 2.96 0.53 -1.38 118.68 130.65 2kb2 s LEU 54 Ca 0.10 0.06 0.05 0.00 -0.22 0.00 0.00 54.13 54.12 2kb2 s LEU 54 Cb -0.22 -1.76 -0.06 0.00 0.50 0.00 0.00 46.19 44.64 2kb2 s LEU 54 CO 0.09 0.36 0.01 -1.61 -1.32 0.00 0.00 176.35 173.87 2kb2 s GLU 55 N -0.78 1.61 0.00 1.98 2.02 0.16 0.43 118.70 124.12 2kb2 s GLU 55 Ca 0.12 -1.86 0.00 0.00 0.02 0.00 0.00 54.97 53.25 2kb2 s GLU 55 Cb -0.11 -1.02 0.00 0.00 0.10 0.00 0.00 34.13 33.10 2kb2 s GLU 55 CO 0.02 -0.08 0.00 0.41 0.02 0.00 0.00 175.26 175.63 2kb2 n GLY 56 N -0.65 1.07 3.73 -1.39 0.00 0.35 -3.10 105.19 105.20 2kb2 n GLY 56 Ca -0.04 -2.25 -0.41 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 -1.16 2.54 -0.27 2.61 -2.24 -1.26 0.59 114.28 115.08 2kb2 n THR 57 Ca 0.00 -0.50 0.17 0.00 -2.27 0.00 0.00 64.05 61.45 2kb2 n THR 57 Cb 0.00 -1.72 0.46 0.00 -2.10 0.00 0.00 70.33 66.97 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 2.30 0.49 -0.41 -0.78 4.22 -1.87 0.21 114.58 118.74 2kb2 h GLU 58 Ca -0.49 -0.03 -0.04 0.00 0.08 0.00 0.00 59.36 58.88 2kb2 h GLU 58 Cb 1.28 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 30.40 2kb2 h GLU 58 CO 0.61 0.32 0.09 1.05 -2.18 0.00 0.00 179.01 178.90 2kb2 h GLU 59 N 0.50 0.61 0.20 1.92 4.11 -1.99 -0.72 114.58 119.21 2kb2 h GLU 59 Ca 0.49 -0.11 -0.32 0.00 0.07 0.00 0.00 59.36 59.50 2kb2 h GLU 59 Cb 1.09 -0.10 0.03 0.00 0.50 0.00 0.00 28.75 30.27 2kb2 h GLU 59 CO -0.22 0.57 -1.38 0.00 0.07 0.00 0.00 179.01 178.05 2kb2 h ALA 60 N 1.50 -0.07 -0.60 1.06 0.00 -1.01 -3.16 119.26 116.98 2kb2 h ALA 60 Ca 0.14 -0.85 -0.07 0.00 0.00 0.00 0.00 54.91 54.13 2kb2 h ALA 60 Cb 0.25 0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 2kb2 h ALA 60 CO -0.00 0.75 0.09 -0.07 0.00 0.00 0.00 179.25 180.02 2kb2 h LEU 61 N 0.16 0.96 0.90 0.00 3.38 -0.81 -1.01 115.31 118.89 2kb2 h LEU 61 Ca -0.22 -0.26 -0.04 0.00 0.09 0.00 0.00 57.88 57.45 2kb2 h LEU 61 Cb 2.08 -0.26 0.01 0.00 0.09 0.00 0.00 40.66 42.58 2kb2 h LEU 61 CO 0.25 0.98 -0.43 -0.08 0.09 0.00 0.00 178.44 179.25 2kb2 h GLU 62 N 0.90 -1.17 -0.35 1.13 4.81 -1.24 0.16 114.58 118.83 2kb2 h GLU 62 Ca 0.18 0.08 0.05 0.00 -0.13 0.00 0.00 59.36 59.54 2kb2 h GLU 62 Cb 0.43 0.27 -0.04 0.00 0.63 0.00 0.00 28.75 30.03 2kb2 h GLU 62 CO 0.01 -0.78 0.09 0.77 -0.73 0.00 0.00 179.01 178.38 2kb2 h SER 63 N -1.23 0.07 0.70 1.04 0.02 -1.57 0.10 113.55 112.68 2kb2 h SER 63 Ca -0.12 0.05 -0.03 0.00 -0.84 0.00 0.00 61.79 60.84 2kb2 h SER 63 Cb 0.93 0.05 0.01 0.00 0.14 0.00 0.00 62.40 63.53 2kb2 h SER 63 CO 0.20 0.07 -0.33 0.25 -1.14 0.00 0.00 176.83 175.88 2kb2 h LEU 64 N 0.23 -0.79 -1.73 5.07 7.12 -1.16 -0.89 115.31 123.16 2kb2 h LEU 64 Ca 0.16 0.03 0.31 0.00 0.13 0.00 0.00 57.88 58.51 2kb2 h LEU 64 Cb 0.16 0.20 -0.07 0.00 -0.53 0.00 0.00 40.66 40.43 2kb2 h LEU 64 CO -0.19 -0.55 0.77 0.15 -0.13 0.00 0.00 178.44 178.49 2kb2 h PHE 65 N -0.97 0.28 -0.02 1.25 3.57 -0.62 1.00 116.94 121.42 2kb2 h PHE 65 Ca -0.10 0.01 -0.13 0.00 3.53 0.00 0.00 57.97 61.28 2kb2 h PHE 65 Cb 0.72 -0.08 -0.02 0.00 2.79 0.00 0.00 35.95 39.36 2kb2 h PHE 65 CO 0.06 0.02 -0.59 0.77 -2.23 0.00 0.00 178.31 176.33 2kb2 h SER 66 N 0.16 0.07 0.62 0.41 0.02 -0.30 -2.51 113.55 112.01 2kb2 h SER 66 Ca 0.57 -0.04 -0.10 0.00 -0.84 0.00 0.00 61.79 61.39 2kb2 h SER 66 Cb 1.94 -0.02 -0.01 0.00 0.14 0.00 0.00 62.40 64.44 2kb2 h SER 66 CO -0.13 0.65 -0.46 -0.33 -1.14 0.00 0.00 176.83 175.41 2kb2 h GLU 67 N 0.04 0.00 0.14 3.45 4.39 0.24 -2.97 114.58 119.88 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 1.06 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.71 2kb2 h GLU 67 CO 0.08 0.46 -0.07 0.82 -1.16 0.00 0.00 179.01 179.15 2kb2 h ILE 68 N 0.00 1.01 0.00 3.13 5.03 -0.82 -2.88 117.51 122.98 2kb2 h ILE 68 Ca -0.00 -0.69 0.00 0.00 -0.12 0.00 0.00 64.86 64.04 2kb2 h ILE 68 Cb 0.89 1.43 0.00 0.00 -3.03 0.00 0.00 36.82 36.11 2kb2 h ILE 68 CO 0.06 0.16 0.00 0.00 -0.68 0.00 0.00 178.15 177.69 2kb2 n GLN 69 N -5.02 0.01 -0.48 2.37 6.02 -1.04 -1.38 117.38 117.86 2kb2 n GLN 69 Ca -0.09 0.28 0.10 0.00 -0.01 0.00 0.00 57.00 57.28 2kb2 n GLN 69 Cb 0.22 -1.52 0.33 0.00 1.02 0.00 0.00 30.24 30.28 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 -1.54 4.19 -4.84 1.08 7.64 -1.09 -4.93 113.62 114.12 2kb2 n SER 70 Ca 0.03 -2.23 -0.38 0.00 1.01 0.00 0.00 58.87 57.31 2kb2 n SER 70 Cb 0.16 -0.52 -0.06 0.00 -1.01 0.00 0.00 64.21 62.78 2kb2 n SER 70 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 2kb2 s ASP 71 N -0.93 6.69 0.00 6.43 1.01 -0.48 -4.99 116.67 124.40 2kb2 s ASP 71 Ca 0.48 0.83 0.27 0.00 0.71 0.00 0.00 52.55 54.84 2kb2 s ASP 71 Cb 0.28 -2.20 0.91 0.00 1.01 0.00 0.00 42.92 42.92 2kb2 s ASP 71 CO 0.27 0.34 1.67 -0.81 0.21 0.00 0.00 175.17 176.86 2kb2 n PRO 72 N 1.91 0.38 0.00 8.23 -0.04 -1.26 -4.34 135.00 139.88 2kb2 n PRO 72 Ca -0.15 -0.17 0.00 0.00 -0.04 0.00 0.00 63.50 63.14 2kb2 n PRO 72 Cb 0.53 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.49 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 -1.16 0.00 -0.32 0.54 0.00 -1.26 -4.90 116.66 109.56 2kb2 n ARG 73 Ca 0.10 0.43 0.00 0.00 -0.00 0.00 0.00 57.85 58.38 2kb2 n ARG 73 Cb 0.32 -1.18 0.00 0.00 0.00 0.00 0.00 32.46 31.60 2kb2 n ARG 73 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.63 175.24 2kb2 n HIS 74 N -1.79 -3.15 -3.41 -0.14 1.44 -1.26 -4.15 115.22 102.76 2kb2 n HIS 74 Ca 0.00 0.00 -0.04 0.00 -2.01 0.00 0.00 57.72 55.67 2kb2 n HIS 74 Cb 0.00 0.00 0.01 0.00 0.12 0.00 0.00 29.99 30.12 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 -0.87 0.54 -2.94 -1.40 1.85 -1.26 -4.81 116.66 107.79 2kb2 n ARG 75 Ca 0.00 -1.07 -0.17 0.00 -1.00 0.00 0.00 57.85 55.61 2kb2 n ARG 75 Cb 0.00 1.34 -0.03 0.00 -1.05 0.00 0.00 32.46 32.72 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 -1.24 -1.06 -4.77 2.89 8.00 -1.26 0.39 116.55 119.50 2kb2 n ASP 76 Ca -0.04 -0.34 -0.40 0.00 0.71 0.00 0.00 54.79 54.72 2kb2 n ASP 76 Cb 0.29 -0.97 0.01 0.00 -0.02 0.00 0.00 41.12 40.43 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 -2.11 2.08 -0.02 2.53 0.11 -1.26 -4.47 120.40 117.26 2kb2 s VAL 77 Ca 0.34 0.08 0.00 0.00 -2.93 0.00 0.00 61.98 59.47 2kb2 s VAL 77 Cb -0.20 -3.05 0.03 0.00 -1.53 0.00 0.00 36.38 31.63 2kb2 s VAL 77 CO 0.42 0.01 0.03 -0.69 -3.33 0.00 0.00 175.10 171.54 2kb2 s VAL 78 N -1.17 -0.03 -0.27 2.04 1.01 0.11 -4.91 120.40 117.17 2kb2 s VAL 78 Ca 0.58 0.21 -0.28 0.00 0.00 0.00 0.00 61.98 62.48 2kb2 s VAL 78 Cb -0.44 -0.10 -0.03 0.00 0.00 0.00 0.00 36.38 35.80 2kb2 s VAL 78 CO 0.58 0.10 1.98 -0.70 0.00 0.00 0.00 175.10 177.06 2kb2 s GLU 79 N 1.08 3.27 -0.06 2.72 2.12 -1.26 -1.58 118.70 124.98 2kb2 s GLU 79 Ca -0.09 1.71 0.06 0.00 0.36 0.00 0.00 54.97 57.01 2kb2 s GLU 79 Cb -0.13 -4.27 -0.24 0.00 0.26 0.00 0.00 34.13 29.75 2kb2 s GLU 79 CO -0.03 -1.94 0.58 1.28 -0.54 0.00 0.00 175.26 174.61 2kb2 n LEU 80 N 10.82 1.43 -3.99 2.70 4.32 0.30 -4.94 117.00 127.64 2kb2 n LEU 80 Ca 0.26 0.36 -0.09 0.00 -0.02 0.00 0.00 56.01 56.51 2kb2 n LEU 80 Cb 0.46 -0.24 -0.05 0.00 -1.62 0.00 0.00 43.42 41.98 2kb2 n LEU 80 CO 0.67 0.53 0.21 -0.32 -1.22 0.00 0.00 177.39 177.27 2kb2 s MET 81 N -2.59 1.63 0.00 3.23 1.75 0.14 -4.89 119.30 118.58 2kb2 s MET 81 Ca -0.10 -1.30 0.00 0.00 -1.25 0.00 0.00 55.69 53.04 2kb2 s MET 81 Cb 0.08 0.48 0.00 0.00 2.84 0.00 0.00 34.83 38.23 2kb2 s MET 81 CO 0.81 -0.69 0.00 -2.13 -0.65 0.00 0.00 175.02 172.36 2kb2 n ARG 82 N -0.41 0.00 -4.20 4.11 0.63 -0.94 -0.95 116.66 114.89 2kb2 n ARG 82 Ca -0.02 0.00 -0.16 0.00 -0.92 0.00 0.00 57.85 56.75 2kb2 n ARG 82 Cb 0.62 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 0.99 1.00 6.15 2.15 -0.96 -4.86 116.67 121.14 2kb2 s ASP 83 Ca 0.00 -0.33 -0.11 0.00 0.43 0.00 0.00 52.55 52.53 2kb2 s ASP 83 Cb 0.00 -0.05 0.18 0.00 -0.30 0.00 0.00 42.92 42.75 2kb2 s ASP 83 CO 0.00 -0.02 1.00 -1.22 -0.17 0.00 0.00 175.17 174.76 2kb2 n TYR 84 N 2.22 -0.01 -3.91 -5.34 4.01 -1.26 0.10 117.16 112.97 2kb2 n TYR 84 Ca -0.17 0.22 -0.10 0.00 -0.16 0.00 0.00 57.90 57.69 2kb2 n TYR 84 Cb 0.56 -1.88 -0.01 0.00 -0.31 0.00 0.00 39.34 37.70 2kb2 n TYR 84 CO 0.00 0.00 0.00 -1.12 -0.46 0.00 0.00 176.86 175.28 2kb2 s SER 85 N -2.49 0.14 0.00 7.72 0.01 0.94 -4.66 113.70 115.37 2kb2 s SER 85 Ca 0.66 -1.09 0.00 0.00 1.31 0.00 0.00 55.95 56.83 2kb2 s SER 85 Cb -0.23 0.75 0.00 0.00 0.21 0.00 0.00 66.02 66.75 2kb2 s SER 85 CO 0.61 -1.46 0.38 0.00 0.41 0.00 0.00 173.24 173.19 2kb2 n ALA 86 N -0.50 1.15 -3.49 1.44 0.00 -1.26 -1.76 120.51 116.08 2kb2 n ALA 86 Ca -0.04 -0.38 -0.11 0.00 0.00 0.00 0.00 53.44 52.90 2kb2 n ALA 86 Cb 0.60 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.02 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 -0.14 -0.45 -0.18 0.00 1.13 -1.26 -4.95 117.35 111.49 2kb2 s TYR 87 Ca 0.00 0.44 -0.16 0.00 -1.41 0.00 0.00 57.07 55.94 2kb2 s TYR 87 Cb 0.00 0.51 -0.04 0.00 -1.10 0.00 0.00 41.96 41.33 2kb2 s TYR 87 CO 0.00 -0.61 0.40 1.03 -2.51 0.00 0.00 175.55 173.85 2kb2 s ARG 88 N -2.72 4.21 -0.13 -3.49 0.52 -1.26 -4.99 118.95 111.09 2kb2 s ARG 88 Ca 0.00 0.23 -0.28 0.00 -0.52 0.00 0.00 55.73 55.16 2kb2 s ARG 88 Cb -0.01 -3.51 -0.26 0.00 0.52 0.00 0.00 34.95 31.69 2kb2 s ARG 88 CO -0.06 0.03 0.79 0.00 0.02 0.00 0.00 175.30 176.08 2kb2 h ARG 89 N 7.17 0.03 -1.91 3.54 -0.00 -1.96 -3.33 114.38 117.92 2kb2 h ARG 89 Ca -0.37 -0.05 -0.17 0.00 -0.50 0.00 0.00 59.98 58.88 2kb2 h ARG 89 Cb 1.16 0.02 -0.07 0.00 0.00 0.00 0.00 29.97 31.09 2kb2 h ARG 89 CO 0.73 1.02 0.01 1.19 0.00 0.00 0.00 179.97 182.92 2kb2 n PHE 90 N -4.56 0.46 -1.62 3.04 3.01 -1.26 -4.78 117.46 111.74 2kb2 n PHE 90 Ca -0.10 -1.43 -0.49 0.00 1.01 0.00 0.00 57.45 56.44 2kb2 n PHE 90 Cb 0.51 -1.01 -0.05 0.00 -0.01 0.00 0.00 39.48 38.92 2kb2 n PHE 90 CO 0.00 0.00 0.00 1.58 1.01 0.00 0.00 176.76 179.35 2kb2 n HIS 91 N 1.51 2.11 0.00 1.38 -0.00 -1.25 -1.16 115.22 117.81 2kb2 n HIS 91 Ca 0.24 0.07 0.00 0.00 0.46 0.00 0.00 57.72 58.49 2kb2 n HIS 91 Cb 0.64 -2.63 0.00 0.00 -0.12 0.00 0.00 29.99 27.88 2kb2 n HIS 91 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 2kb2 n GLY 92 N 5.05 3.02 3.25 1.57 0.00 -1.26 -5.00 105.19 111.82 2kb2 n GLY 92 Ca 0.28 -0.95 -0.43 0.00 0.00 0.00 0.00 46.02 44.92 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 -0.63 4.82 0.21 2.61 2.01 -0.31 -4.93 115.64 119.42 2kb2 s THR 93 Ca 0.00 -2.33 -0.10 0.00 0.31 0.00 0.00 61.69 59.57 2kb2 s THR 93 Cb 0.00 -4.06 0.16 0.00 0.01 0.00 0.00 72.50 68.61 2kb2 s THR 93 CO 0.00 -0.92 1.87 1.23 -0.69 0.00 0.00 174.62 176.11 2kb2 h GLY 94 N 7.88 1.06 -5.21 4.40 0.00 -1.80 -3.22 103.07 106.18 2kb2 h GLY 94 Ca -0.04 -0.38 -0.08 0.00 0.00 0.00 0.00 47.33 46.83 2kb2 h GLY 94 CO 0.80 0.35 -0.11 -0.29 0.00 0.00 0.00 176.54 177.29 2kb2 s MET 95 N -6.13 0.60 -0.28 4.80 1.75 -1.25 -0.91 119.30 117.88 2kb2 s MET 95 Ca -0.13 0.81 0.01 0.00 -1.25 0.00 0.00 55.69 55.12 2kb2 s MET 95 Cb 0.15 0.23 0.16 0.00 2.84 0.00 0.00 34.83 38.21 2kb2 s MET 95 CO 0.78 -0.10 0.45 0.50 -0.65 0.00 0.00 175.02 176.00 2kb2 s ARG 96 N 0.63 0.43 0.87 4.11 3.00 -1.24 -4.51 118.95 122.24 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 -0.17 0.12 0.00 0.00 0.00 0.00 34.95 34.86 2kb2 s ARG 96 CO -0.04 -0.85 1.12 -1.50 0.00 0.00 0.00 175.30 174.03 2kb2 s ILE 97 N 2.63 2.54 -0.37 4.11 -1.16 -1.26 -1.15 121.20 126.55 2kb2 s ILE 97 Ca 0.12 0.18 0.00 0.00 -0.51 0.00 0.00 60.65 60.44 2kb2 s ILE 97 Cb -0.13 -2.39 0.13 0.00 0.61 0.00 0.00 42.46 40.68 2kb2 s ILE 97 CO -0.24 -0.23 0.20 -0.22 -2.81 0.00 0.00 174.94 171.64 2kb2 s LEU 98 N -6.36 1.46 -0.90 8.50 2.96 0.26 -4.74 118.68 119.87 2kb2 s LEU 98 Ca 0.65 -2.18 -0.25 0.00 -0.22 0.00 0.00 54.13 52.12 2kb2 s LEU 98 Cb -0.21 -0.59 -0.12 0.00 0.50 0.00 0.00 46.19 45.78 2kb2 s LEU 98 CO 0.57 -0.32 2.19 -0.62 -1.32 0.00 0.00 176.35 176.85 2kb2 s ASP 99 N 1.02 4.31 0.64 3.68 2.15 -1.26 -1.46 116.67 125.74 2kb2 s ASP 99 Ca 0.17 -0.46 0.35 0.00 0.43 0.00 0.00 52.55 53.03 2kb2 s ASP 99 Cb -0.22 -2.56 1.93 0.00 -0.30 0.00 0.00 42.92 41.76 2kb2 s ASP 99 CO -0.04 -3.58 2.15 -0.07 -0.17 0.00 0.00 175.17 173.45 2kb2 h LEU 100 N 20.68 0.00 -1.28 -1.34 3.38 0.06 0.21 115.31 137.02 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 1.09 0.00 0.05 0.54 0.09 0.00 0.00 178.44 180.21 2kb2 n ARG 101 N -3.29 0.12 -0.08 1.13 1.74 -1.22 -1.54 116.66 113.53 2kb2 n ARG 101 Ca -0.01 0.62 -0.22 0.00 -0.77 0.00 0.00 57.85 57.46 2kb2 n ARG 101 Cb 0.25 -1.96 -0.12 0.00 -1.02 0.00 0.00 32.46 29.61 2kb2 n ARG 101 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 2kb2 n LEU 102 N -2.18 2.38 0.00 0.55 4.77 0.72 -5.01 117.00 118.22 2kb2 n LEU 102 Ca -0.01 0.22 0.00 0.00 -0.03 0.00 0.00 56.01 56.19 2kb2 n LEU 102 Cb 0.08 -0.98 0.00 0.00 -2.33 0.00 0.00 43.42 40.18 2kb2 n LEU 102 CO 0.09 0.67 0.00 0.49 -1.33 0.00 0.00 177.39 177.30 2kb2 n PHE 103 N -3.83 0.00 -2.73 -1.77 3.72 -0.59 -5.06 117.46 107.19 2kb2 n PHE 103 Ca -0.39 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.01 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 0.44 -1.08 0.28 -1.26 -4.83 120.64 114.19 2kb2 n GLU 104 Ca 0.00 0.00 -0.18 0.00 -0.16 0.00 0.00 57.16 56.82 2kb2 n GLU 104 Cb 0.00 0.00 -0.09 0.00 1.43 0.00 0.00 31.44 32.78 2kb2 n GLU 104 CO 0.00 0.00 0.00 1.15 -0.16 0.00 0.00 177.13 178.12 2kb2 h THR 105 N 0.00 0.06 0.00 3.84 2.02 -1.92 0.11 112.91 117.02 2kb2 h THR 105 Ca 0.00 -0.14 -0.09 0.00 0.77 0.00 0.00 66.41 66.95 2kb2 h THR 105 Cb 0.00 0.07 -0.01 0.00 -1.74 0.00 0.00 68.15 66.47 2kb2 h THR 105 CO 0.00 0.00 -0.44 -0.78 0.37 0.00 0.00 175.52 174.67 2kb2 h ASP 106 N -1.26 0.00 -0.01 4.18 3.58 -1.98 -2.62 116.42 118.32 2kb2 h ASP 106 Ca -0.12 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.33 2kb2 h ASP 106 Cb 0.87 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.92 2kb2 h ASP 106 CO 0.19 0.44 -0.01 1.23 -2.88 0.00 0.00 179.24 178.21 2kb2 h GLY 107 N 3.45 0.02 0.77 -0.78 0.00 -1.93 -1.94 103.07 102.67 2kb2 h GLY 107 Ca -0.00 -0.02 -0.03 0.00 0.00 0.00 0.00 47.33 47.28 2kb2 h GLY 107 CO 0.06 0.02 -0.02 0.00 0.00 0.00 0.00 176.54 176.60 2kb2 h ALA 108 N 0.50 0.21 -0.57 3.60 0.00 -0.85 -2.17 119.26 119.97 2kb2 h ALA 108 Ca 0.00 -0.21 0.10 0.00 0.00 0.00 0.00 54.91 54.80 2kb2 h ALA 108 Cb 0.52 -0.05 -0.08 0.00 0.00 0.00 0.00 17.79 18.17 2kb2 h ALA 108 CO 0.00 -0.07 0.11 1.25 0.00 0.00 0.00 179.25 180.54 2kb2 h LEU 109 N -0.00 -0.02 -0.90 0.00 5.85 -1.55 0.42 115.31 119.12 2kb2 h LEU 109 Ca 0.04 0.11 0.07 0.00 0.84 0.00 0.00 57.88 58.94 2kb2 h LEU 109 Cb 0.41 0.15 -0.07 0.00 0.37 0.00 0.00 40.66 41.53 2kb2 h LEU 109 CO 0.01 0.01 0.56 -0.33 -0.34 0.00 0.00 178.44 178.35 2kb2 h GLU 110 N 0.24 0.96 -0.43 1.25 4.39 -1.21 -2.06 114.58 117.74 2kb2 h GLU 110 Ca 0.29 -0.06 0.08 0.00 0.34 0.00 0.00 59.36 60.01 2kb2 h GLU 110 Cb 0.42 -0.22 -0.09 0.00 -0.10 0.00 0.00 28.75 28.76 2kb2 h GLU 110 CO -0.38 0.64 -0.40 0.93 -1.16 0.00 0.00 179.01 178.64 2kb2 h GLU 111 N 0.99 -0.28 -0.35 2.33 4.39 -0.25 0.17 114.58 121.58 2kb2 h GLU 111 Ca 0.40 0.02 0.05 0.00 0.34 0.00 0.00 59.36 60.18 2kb2 h GLU 111 Cb 0.23 0.06 -0.08 0.00 -0.10 0.00 0.00 28.75 28.86 2kb2 h GLU 111 CO -0.19 -0.19 -0.49 0.82 -1.16 0.00 0.00 179.01 177.80 2kb2 h ILE 112 N -0.29 0.06 -0.98 3.13 5.03 -1.10 0.17 117.51 123.52 2kb2 h ILE 112 Ca 0.16 0.00 0.24 0.00 -0.12 0.00 0.00 64.86 65.14 2kb2 h ILE 112 Cb 0.57 0.06 -0.08 0.00 -3.03 0.00 0.00 36.82 34.34 2kb2 h ILE 112 CO -0.58 0.00 0.65 -0.07 -0.68 0.00 0.00 178.15 177.47 2kb2 h LEU 113 N -0.40 0.38 -1.08 1.44 -0.00 -0.85 0.88 115.31 115.68 2kb2 h LEU 113 Ca 0.10 0.06 -0.06 0.00 -0.00 0.00 0.00 57.88 57.97 2kb2 h LEU 113 Cb 0.61 -0.01 -0.02 0.00 -0.00 0.00 0.00 40.66 41.24 2kb2 h LEU 113 CO -0.55 0.11 -0.04 0.03 -0.00 0.00 0.00 178.44 177.99 2kb2 h ARG 114 N 0.36 0.60 0.00 1.13 3.08 0.21 -2.86 114.38 116.91 2kb2 h ARG 114 Ca 0.53 -0.15 0.00 0.00 0.07 0.00 0.00 59.98 60.42 2kb2 h ARG 114 Cb 1.41 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 31.38 2kb2 h ARG 114 CO -0.21 0.66 -0.00 1.97 -1.07 0.00 0.00 179.97 181.31 2kb2 n PHE 115 N -4.23 0.00 -0.07 3.04 1.16 -0.22 -4.73 117.46 112.41 2kb2 n PHE 115 Ca 0.02 -0.46 -0.10 0.00 -1.87 0.00 0.00 57.45 55.04 2kb2 n PHE 115 Cb 0.29 -0.05 -0.06 0.00 -1.61 0.00 0.00 39.48 38.05 2kb2 n PHE 115 CO 0.00 0.00 0.00 0.43 -1.87 0.00 0.00 176.76 175.32 2kb2 n SER 116 N -0.47 2.75 -3.17 5.98 7.64 0.29 -4.82 113.62 121.81 2kb2 n SER 116 Ca 0.00 -0.04 -0.19 0.00 1.01 0.00 0.00 58.87 59.65 2kb2 n SER 116 Cb 0.29 -0.23 0.02 0.00 -1.01 0.00 0.00 64.21 63.27 2kb2 n SER 116 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 2kb2 n THR 117 N -2.97 -7.96 -1.68 0.44 -2.24 -1.08 -4.59 114.28 94.19 2kb2 n THR 117 Ca -0.24 0.42 -0.54 0.00 -2.27 0.00 0.00 64.05 61.43 2kb2 n THR 117 Cb 0.74 -5.65 -0.06 0.00 -2.10 0.00 0.00 70.33 63.26 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 -0.60 2.13 -0.03 4.78 3.01 -1.26 -4.84 117.46 120.65 2kb2 n PHE 118 Ca 0.00 0.31 0.03 0.00 1.01 0.00 0.00 57.45 58.81 2kb2 n PHE 118 Cb 0.56 -2.54 0.08 0.00 -0.01 0.00 0.00 39.48 37.57 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 4.46 2.17 1.06 1.37 0.00 -1.26 -5.03 105.19 107.96 2kb2 n GLY 119 Ca 0.26 -0.22 -0.09 0.00 0.00 0.00 0.00 46.02 45.97 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 0.16 0.00 0.01 1.61 0.24 -1.26 -5.02 118.33 114.07 2kb2 n VAL 120 Ca 0.06 -0.17 -0.02 0.00 -2.04 0.00 0.00 64.34 62.18 2kb2 n VAL 120 Cb 0.32 -1.18 -0.01 0.00 -1.47 0.00 0.00 33.84 31.50 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 -1.78 0.00 -2.93 3.34 2.02 -2.05 -3.46 112.91 108.05 2kb2 h THR 121 Ca -0.12 -0.56 -0.36 0.00 0.77 0.00 0.00 66.41 66.14 2kb2 h THR 121 Cb 0.37 0.00 -0.38 0.00 -1.74 0.00 0.00 68.15 66.41 2kb2 h THR 121 CO 0.08 0.00 -0.68 -1.61 0.37 0.00 0.00 175.52 173.68 2kb2 s GLU 122 N -1.78 0.08 0.00 6.66 2.02 -1.26 -5.00 118.70 119.42 2kb2 s GLU 122 Ca -0.02 0.24 0.03 0.00 0.02 0.00 0.00 54.97 55.25 2kb2 s GLU 122 Cb 0.00 -1.04 0.13 0.00 0.10 0.00 0.00 34.13 33.31 2kb2 s GLU 122 CO 0.05 -0.52 0.99 -0.35 0.02 0.00 0.00 175.26 175.44 2kb2 n PRO 123 N 5.31 0.02 0.00 0.39 -0.04 -1.26 -3.44 135.00 135.98 2kb2 n PRO 123 Ca -0.05 0.35 0.00 0.00 -0.04 0.00 0.00 63.50 63.75 2kb2 n PRO 123 Cb 0.50 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.46 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 -1.38 0.00 1.39 0.52 0.31 -1.26 -2.69 118.33 115.22 2kb2 n VAL 124 Ca 0.01 1.31 0.00 0.00 -0.01 0.00 0.00 64.34 65.65 2kb2 n VAL 124 Cb 0.03 -2.23 0.00 0.00 -0.91 0.00 0.00 33.84 30.73 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 -1.57 0.37 -4.55 4.52 0.23 -1.22 -4.78 115.26 108.26 2kb2 n ASN 125 Ca 0.00 -1.76 -0.37 0.00 -0.53 0.00 0.00 54.58 51.92 2kb2 n ASN 125 Cb 0.00 -0.19 -0.03 0.00 -2.08 0.00 0.00 39.78 37.48 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 -0.69 4.98 0.33 0.53 2.15 -1.09 -4.83 116.67 118.05 2kb2 s ASP 126 Ca 0.00 0.57 0.10 0.00 0.43 0.00 0.00 52.55 53.65 2kb2 s ASP 126 Cb 0.00 -2.52 0.88 0.00 -0.30 0.00 0.00 42.92 40.98 2kb2 s ASP 126 CO 0.00 -2.56 1.77 -0.09 -0.17 0.00 0.00 175.17 174.12 2kb2 h ARG 127 N 16.47 0.59 -0.40 4.34 2.43 -1.89 0.13 114.38 136.05 2kb2 h ARG 127 Ca -0.25 -0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 58.86 2kb2 h ARG 127 Cb 1.20 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 30.59 2kb2 h ARG 127 CO 1.20 0.39 0.16 1.98 -1.51 0.00 0.00 179.97 182.19 2kb2 h MET 128 N 0.61 0.59 0.00 0.20 4.05 -1.95 -2.43 114.93 115.99 2kb2 h MET 128 Ca 0.60 -0.10 -0.04 0.00 -0.28 0.00 0.00 59.70 59.87 2kb2 h MET 128 Cb 1.14 -0.10 -0.01 0.00 -0.80 0.00 0.00 31.60 31.84 2kb2 h MET 128 CO -0.38 0.55 -0.18 0.35 0.23 0.00 0.00 176.91 177.48 2kb2 h PHE 129 N 0.50 0.00 -0.71 1.39 3.57 -1.13 0.14 116.94 120.70 2kb2 h PHE 129 Ca 0.13 0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.66 2kb2 h PHE 129 Cb 0.18 0.00 -0.04 0.00 2.79 0.00 0.00 35.95 38.88 2kb2 h PHE 129 CO -0.00 0.18 0.44 0.00 -2.23 0.00 0.00 178.31 176.70 2kb2 h ARG 130 N 0.00 0.84 0.00 1.11 2.47 -0.67 -0.04 114.38 118.10 2kb2 h ARG 130 Ca -0.00 -0.05 -0.01 0.00 -1.26 0.00 0.00 59.98 58.66 2kb2 h ARG 130 Cb 0.37 -0.19 0.00 0.00 -1.65 0.00 0.00 29.97 28.50 2kb2 h ARG 130 CO 0.02 0.56 -0.04 -0.07 0.56 0.00 0.00 179.97 181.00 2kb2 h LEU 131 N 0.86 0.02 -0.49 3.04 3.38 -1.39 -2.88 115.31 117.86 2kb2 h LEU 131 Ca 0.29 -0.93 0.07 0.00 0.09 0.00 0.00 57.88 57.40 2kb2 h LEU 131 Cb 0.02 -0.01 -0.09 0.00 0.09 0.00 0.00 40.66 40.67 2kb2 h LEU 131 CO -0.11 0.95 -0.48 0.25 0.09 0.00 0.00 178.44 179.14 2kb2 h LEU 132 N -0.90 -1.62 -1.25 1.67 5.85 -0.85 0.21 115.31 118.41 2kb2 h LEU 132 Ca -0.01 0.24 -0.01 0.00 0.84 0.00 0.00 57.88 58.95 2kb2 h LEU 132 Cb 0.96 0.70 -0.00 0.00 0.37 0.00 0.00 40.66 42.69 2kb2 h LEU 132 CO 0.01 -0.36 -0.04 0.77 -0.34 0.00 0.00 178.44 178.48 2kb2 h SER 133 N -0.30 0.00 0.66 1.25 4.64 -1.16 -1.24 113.55 117.40 2kb2 h SER 133 Ca 0.13 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 61.29 2kb2 h SER 133 Cb 0.58 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.65 2kb2 h SER 133 CO -0.64 0.04 -0.75 0.00 -0.87 0.00 0.00 176.83 174.61 2kb2 h ALA 134 N 1.96 0.73 0.12 5.18 0.00 -0.52 0.20 119.26 126.92 2kb2 h ALA 134 Ca -0.00 -0.67 -0.30 0.00 0.00 0.00 0.00 54.91 53.94 2kb2 h ALA 134 Cb 0.60 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.28 2kb2 h ALA 134 CO 0.00 0.90 -1.46 0.35 0.00 0.00 0.00 179.25 179.04 2kb2 h PHE 135 N 0.04 0.46 -0.16 0.00 3.57 -0.45 0.17 116.94 120.57 2kb2 h PHE 135 Ca -0.02 -0.33 -0.10 0.00 3.53 0.00 0.00 57.97 61.05 2kb2 h PHE 135 Cb 1.33 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 40.04 2kb2 h PHE 135 CO 0.01 1.35 -0.33 0.82 -2.23 0.00 0.00 178.31 177.93 2kb2 h ILE 136 N 0.07 1.28 0.00 1.41 5.03 -1.18 0.18 117.51 124.29 2kb2 h ILE 136 Ca -0.22 -1.35 -0.03 0.00 -0.12 0.00 0.00 64.86 63.15 2kb2 h ILE 136 Cb 2.00 1.52 -0.00 0.00 -3.03 0.00 0.00 36.82 37.31 2kb2 h ILE 136 CO 0.17 0.41 -0.45 0.00 -0.68 0.00 0.00 178.15 177.60 2kb2 h ALA 137 N 1.38 0.03 0.00 1.87 0.00 -0.65 -3.30 119.26 118.60 2kb2 h ALA 137 Ca 0.04 -0.47 -0.31 0.00 0.00 0.00 0.00 54.91 54.17 2kb2 h ALA 137 Cb 0.72 0.39 -0.06 0.00 0.00 0.00 0.00 17.79 18.84 2kb2 h ALA 137 CO 0.05 0.39 -2.28 -0.25 0.00 0.00 0.00 179.25 177.17 2kb2 n ASP 138 N -4.64 0.07 -1.11 0.00 9.92 0.55 -4.28 116.55 117.05 2kb2 n ASP 138 Ca -0.08 0.03 -0.02 0.00 -0.53 0.00 0.00 54.79 54.19 2kb2 n ASP 138 Cb 0.26 1.06 0.10 0.00 -0.64 0.00 0.00 41.12 41.90 2kb2 n ASP 138 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2kb2 n GLY 139 N 1.66 2.28 0.00 0.44 0.00 0.53 -3.49 105.19 106.62 2kb2 n GLY 139 Ca -0.28 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.43 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 0.12 1.00 3.32 -0.02 0.00 -0.69 -4.57 105.19 104.35 2kb2 n GLY 140 Ca 0.13 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.93 2kb2 n GLY 140 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kb2 n ARG 141 N 0.00 -1.46 -1.55 1.61 3.00 -1.23 -4.86 116.66 112.18 2kb2 n ARG 141 Ca 0.00 1.31 -0.37 0.00 -0.01 0.00 0.00 57.85 58.79 2kb2 n ARG 141 Cb 0.21 -2.07 0.08 0.00 0.00 0.00 0.00 32.46 30.67 2kb2 n ARG 141 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.63 180.11 2kb2 n TYR 142 N 0.37 1.26 -2.20 -1.55 4.11 -1.26 -4.90 117.16 112.98 2kb2 n TYR 142 Ca -0.04 0.42 -0.42 0.00 -0.00 0.00 0.00 57.90 57.85 2kb2 n TYR 142 Cb 0.57 -2.17 -0.03 0.00 -0.00 0.00 0.00 39.34 37.72 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 6.11 4.86 0.00 0.00 7.99 -1.26 -5.00 117.00 129.70 2kb2 n LEU 144 Ca 0.14 1.02 -0.24 0.00 -0.01 0.00 0.00 56.01 56.93 2kb2 n LEU 144 Cb 0.44 -1.54 0.19 0.00 -0.11 0.00 0.00 43.42 42.40 2kb2 n LEU 144 CO 0.59 -0.66 0.52 -0.81 -1.51 0.00 0.00 177.39 175.52 2kb2 n PRO 145 N -0.58 -2.41 -1.81 3.23 -0.04 -1.26 -4.93 135.00 127.20 2kb2 n PRO 145 Ca 0.09 -1.42 -0.42 0.00 -0.04 0.00 0.00 63.50 61.70 2kb2 n PRO 145 Cb 0.43 -1.26 -0.03 0.00 -0.04 0.00 0.00 33.50 32.60 2kb2 n PRO 145 CO 0.00 0.00 0.00 -1.83 -0.04 0.00 0.00 175.50 173.63 2kb2 s GLU 146 N -5.02 4.16 0.64 0.54 -1.05 -1.26 -5.00 118.70 111.71 2kb2 s GLU 146 Ca 0.57 2.44 -0.08 0.00 -0.15 0.00 0.00 54.97 57.75 2kb2 s GLU 146 Cb -0.05 -4.09 0.14 0.00 -0.44 0.00 0.00 34.13 29.69 2kb2 s GLU 146 CO 0.43 -0.91 0.87 -0.35 0.95 0.00 0.00 175.26 176.25 2kb2 n PRO 147 N 7.37 -0.57 0.00 -4.83 -0.04 -1.26 -5.35 135.00 130.32 2kb2 n PRO 147 Ca 0.19 -1.66 0.13 0.00 -0.04 0.00 0.00 63.50 62.12 2kb2 n PRO 147 Cb 0.42 -0.81 0.21 0.00 -0.04 0.00 0.00 33.50 33.28 2kb2 n PRO 147 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35