#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 0.00 -2.91 1.61 1.02 -1.26 -4.32 120.64 114.78 2kb2 n GLU 2 Ca 0.00 0.00 -0.43 0.00 -0.02 0.00 0.00 57.16 56.71 2kb2 n GLU 2 Cb 0.00 0.00 -0.04 0.00 -0.02 0.00 0.00 31.44 31.38 2kb2 n GLU 2 CO 0.00 0.00 0.00 0.12 1.18 0.00 0.00 177.13 178.43 2kb2 s PHE 3 N 0.00 2.75 0.18 -0.32 2.19 -1.26 -5.00 117.98 116.52 2kb2 s PHE 3 Ca 0.00 -0.57 0.02 0.00 0.33 0.00 0.00 56.93 56.71 2kb2 s PHE 3 Cb 0.00 -4.19 -0.05 0.00 -1.31 0.00 0.00 43.02 37.47 2kb2 s PHE 3 CO 0.00 -1.53 -0.01 0.00 1.83 0.00 0.00 175.22 175.51 2kb2 s MET 4 N 3.76 1.14 0.77 10.12 0.23 -1.26 -5.13 119.30 128.92 2kb2 s MET 4 Ca 0.21 -1.55 -0.12 0.00 -1.03 0.00 0.00 55.69 53.20 2kb2 s MET 4 Cb -0.18 -0.35 0.05 0.00 -1.53 0.00 0.00 34.83 32.82 2kb2 s MET 4 CO 0.10 -0.10 1.15 -1.17 -2.03 0.00 0.00 175.02 172.97 2kb2 s LEU 5 N -3.19 2.66 0.07 0.18 2.96 -0.89 -4.02 118.68 116.45 2kb2 s LEU 5 Ca 0.24 0.92 -0.23 0.00 -0.22 0.00 0.00 54.13 54.83 2kb2 s LEU 5 Cb 0.06 -3.53 0.06 0.00 0.50 0.00 0.00 46.19 43.27 2kb2 s LEU 5 CO 0.04 -1.68 0.56 -0.89 -1.32 0.00 0.00 176.35 173.06 2kb2 s THR 6 N -3.49 0.02 -0.42 3.68 2.01 0.16 -0.86 115.64 116.74 2kb2 s THR 6 Ca 0.60 -0.16 0.03 0.00 0.31 0.00 0.00 61.69 62.48 2kb2 s THR 6 Cb -0.11 -1.00 0.12 0.00 0.01 0.00 0.00 72.50 71.52 2kb2 s THR 6 CO 0.50 -0.09 0.16 -0.89 -0.69 0.00 0.00 174.62 173.62 2kb2 s THR 7 N -2.74 2.16 -0.06 -0.82 2.01 0.13 0.58 115.64 116.90 2kb2 s THR 7 Ca -0.04 -2.68 -0.14 0.00 0.31 0.00 0.00 61.69 59.14 2kb2 s THR 7 Cb -0.00 -2.55 -0.05 0.00 0.01 0.00 0.00 72.50 69.91 2kb2 s THR 7 CO -0.04 -0.73 0.35 -0.22 -0.69 0.00 0.00 174.62 173.29 2kb2 s LEU 8 N 0.41 4.40 0.05 4.42 0.20 0.04 -1.84 118.68 126.36 2kb2 s LEU 8 Ca 0.14 0.78 0.03 0.00 0.69 0.00 0.00 54.13 55.78 2kb2 s LEU 8 Cb -0.22 -2.48 -0.02 0.00 -0.43 0.00 0.00 46.19 43.04 2kb2 s LEU 8 CO -0.05 0.26 -0.10 -0.63 -0.29 0.00 0.00 176.35 175.53 2kb2 s ILE 9 N -0.58 0.78 0.17 6.68 1.01 -0.18 0.04 121.20 129.13 2kb2 s ILE 9 Ca 0.21 -1.09 -0.17 0.00 0.00 0.00 0.00 60.65 59.60 2kb2 s ILE 9 Cb -0.15 -0.79 0.03 0.00 0.01 0.00 0.00 42.46 41.56 2kb2 s ILE 9 CO 0.10 -0.25 0.48 -0.72 0.00 0.00 0.00 174.94 174.55 2kb2 s TYR 10 N -1.20 -0.14 -0.05 3.97 1.13 -0.72 0.14 117.35 120.49 2kb2 s TYR 10 Ca -0.05 -0.19 -0.03 0.00 -1.41 0.00 0.00 57.07 55.39 2kb2 s TYR 10 Cb -0.09 0.35 0.03 0.00 -1.10 0.00 0.00 41.96 41.14 2kb2 s TYR 10 CO 0.01 -0.85 0.12 -0.98 -2.51 0.00 0.00 175.55 171.35 2kb2 s ARG 11 N -3.85 0.10 0.00 -3.49 1.70 -0.99 -0.12 118.95 112.29 2kb2 s ARG 11 Ca 0.07 0.26 0.00 0.00 -0.47 0.00 0.00 55.73 55.59 2kb2 s ARG 11 Cb -0.00 -0.07 0.00 0.00 -0.57 0.00 0.00 34.95 34.31 2kb2 s ARG 11 CO -0.06 -0.10 0.00 -1.13 -1.08 0.00 0.00 175.30 172.94 2kb2 n SER 12 N 3.67 1.58 0.00 -2.89 3.41 -0.36 -1.89 113.62 117.13 2kb2 n SER 12 Ca -0.20 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.41 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 1.98 -2.67 4.33 6.02 -1.26 -1.59 117.38 124.19 2kb2 n GLN 13 Ca 0.00 0.00 -0.02 0.00 -0.01 0.00 0.00 57.00 56.97 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 -3.17 5.09 3.14 0.56 -4.01 118.33 119.94 2kb2 n VAL 14 Ca 0.00 -0.29 -0.45 0.00 -2.96 0.00 0.00 64.34 60.63 2kb2 n VAL 14 Cb 0.00 0.40 -0.04 0.00 -1.06 0.00 0.00 33.84 33.14 2kb2 n VAL 14 CO 0.00 0.00 0.00 -1.00 -6.46 0.00 0.00 176.83 169.37 2kb2 s HIS 15 N -4.06 3.28 0.65 1.45 3.76 -1.23 -4.76 115.29 114.38 2kb2 s HIS 15 Ca 0.12 -1.39 0.35 0.00 -0.15 0.00 0.00 55.06 53.99 2kb2 s HIS 15 Cb -0.01 -3.97 1.91 0.00 1.11 0.00 0.00 32.58 31.62 2kb2 s HIS 15 CO 0.03 -1.20 2.11 -1.00 -0.85 0.00 0.00 174.74 173.83 2kb2 h PRO 16 N 8.67 0.00 0.00 8.40 0.13 -1.93 -2.03 132.00 145.24 2kb2 h PRO 16 Ca -0.10 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.92 2kb2 h PRO 16 Cb 1.06 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.18 2kb2 h PRO 16 CO 0.99 0.00 -0.60 0.22 -0.23 0.00 0.00 178.00 178.38 2kb2 h ASP 17 N 0.00 0.00 -3.37 1.44 1.82 -2.01 -3.47 116.42 110.83 2kb2 h ASP 17 Ca 0.02 -0.75 -0.44 0.00 -0.39 0.00 0.00 57.03 55.48 2kb2 h ASP 17 Cb 0.42 0.00 0.20 0.00 0.68 0.00 0.00 39.33 40.63 2kb2 h ASP 17 CO -0.00 1.22 0.05 -0.13 -1.61 0.00 0.00 179.24 178.77 2kb2 s ARG 18 N -2.28 -0.74 1.01 0.28 0.52 -0.76 -5.04 118.95 111.94 2kb2 s ARG 18 Ca -0.23 0.70 -0.17 0.00 -0.52 0.00 0.00 55.73 55.51 2kb2 s ARG 18 Cb 0.01 -1.59 0.22 0.00 0.52 0.00 0.00 34.95 34.11 2kb2 s ARG 18 CO 0.63 -3.57 1.27 -1.25 0.02 0.00 0.00 175.30 172.40 2kb2 s PRO 19 N -4.59 0.27 0.99 3.54 0.05 -1.26 -4.90 135.00 129.09 2kb2 s PRO 19 Ca 0.68 -0.31 -0.14 0.00 0.05 0.00 0.00 61.00 61.28 2kb2 s PRO 19 Cb -0.23 -1.79 0.07 0.00 0.05 0.00 0.00 34.50 32.60 2kb2 s PRO 19 CO 0.63 -2.68 0.44 -2.30 0.05 0.00 0.00 177.00 173.14 2kb2 n PRO 20 N -3.98 -0.67 -3.07 0.56 -0.02 -1.26 -4.94 135.00 121.62 2kb2 n PRO 20 Ca 0.14 -0.16 -0.30 0.00 -2.02 0.00 0.00 63.50 61.17 2kb2 n PRO 20 Cb 0.59 -1.90 -0.04 0.00 -0.02 0.00 0.00 33.50 32.14 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 -2.39 4.86 -1.26 -1.45 1.01 -1.26 -4.97 120.40 114.93 2kb2 s VAL 21 Ca 0.58 0.47 -0.08 0.00 0.00 0.00 0.00 61.98 62.96 2kb2 s VAL 21 Cb -0.20 -3.71 -0.04 0.00 0.00 0.00 0.00 36.38 32.44 2kb2 s VAL 21 CO 0.66 -0.39 2.86 0.47 0.00 0.00 0.00 175.10 178.70 2kb2 n ASP 22 N -1.00 7.99 0.00 3.32 9.92 -1.26 -4.72 116.55 130.80 2kb2 n ASP 22 Ca 0.01 -2.78 0.00 0.00 -0.53 0.00 0.00 54.79 51.49 2kb2 n ASP 22 Cb 0.54 -1.46 0.00 0.00 -0.64 0.00 0.00 41.12 39.56 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 2.70 0.00 -0.12 0.64 4.77 -1.26 0.15 117.00 123.89 2kb2 n LEU 23 Ca 0.68 0.00 -0.20 0.00 -0.03 0.00 0.00 56.01 56.46 2kb2 n LEU 23 Cb 0.34 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.33 2kb2 n LEU 23 CO 0.68 0.00 -1.28 -0.67 -1.33 0.00 0.00 177.39 174.80 2kb2 n ASP 24 N -0.65 2.03 0.08 -1.43 -0.08 -1.26 -4.23 116.55 111.01 2kb2 n ASP 24 Ca 0.00 0.05 0.01 0.00 -1.51 0.00 0.00 54.79 53.33 2kb2 n ASP 24 Cb 0.00 -0.50 -0.04 0.00 2.34 0.00 0.00 41.12 42.93 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 -0.35 0.64 -0.43 -1.67 0.00 -0.48 -2.83 119.26 114.15 2kb2 h ALA 25 Ca -0.55 -0.67 -0.14 0.00 0.00 0.00 0.00 54.91 53.56 2kb2 h ALA 25 Cb 1.68 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.55 2kb2 h ALA 25 CO -0.20 0.80 -0.27 1.25 0.00 0.00 0.00 179.25 180.83 2kb2 h LEU 26 N 0.00 0.99 0.07 0.00 6.46 0.12 -2.87 115.31 120.08 2kb2 h LEU 26 Ca -0.08 -0.42 -0.29 0.00 -0.12 0.00 0.00 57.88 56.97 2kb2 h LEU 26 Cb 1.50 -0.27 -0.02 0.00 -0.73 0.00 0.00 40.66 41.14 2kb2 h LEU 26 CO 0.06 1.20 -1.50 1.62 -0.62 0.00 0.00 178.44 179.19 2kb2 h VAL 27 N 0.78 1.15 0.38 1.05 3.04 -1.74 -3.30 116.25 117.62 2kb2 h VAL 27 Ca 0.09 -2.86 -0.00 0.00 -1.01 0.00 0.00 66.70 62.92 2kb2 h VAL 27 Cb 0.85 2.69 -0.03 0.00 -2.01 0.00 0.00 31.29 32.80 2kb2 h VAL 27 CO 0.08 0.78 -0.42 -0.74 -1.01 0.00 0.00 177.57 176.26 2kb2 h HIS 28 N 0.04 -1.15 0.00 3.17 6.17 -1.49 0.42 115.15 122.31 2kb2 h HIS 28 Ca -0.22 0.01 -0.00 0.00 0.71 0.00 0.00 60.37 60.86 2kb2 h HIS 28 Cb 1.97 0.45 -0.00 0.00 2.52 0.00 0.00 27.41 32.36 2kb2 h HIS 28 CO 0.04 -0.57 -0.02 0.00 0.71 0.00 0.00 177.93 178.09 2kb2 h ARG 29 N -0.83 0.00 0.11 5.26 -0.00 -1.68 -1.96 114.38 115.29 2kb2 h ARG 29 Ca -0.03 0.00 -0.01 0.00 -0.50 0.00 0.00 59.98 59.44 2kb2 h ARG 29 Cb 0.75 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.72 2kb2 h ARG 29 CO -0.09 0.02 -0.05 0.00 0.00 0.00 0.00 179.97 179.85 2kb2 h ALA 30 N 1.98 -0.24 -0.43 0.04 0.00 -1.36 -3.05 119.26 116.20 2kb2 h ALA 30 Ca -0.00 -0.03 0.12 0.00 0.00 0.00 0.00 54.91 55.00 2kb2 h ALA 30 Cb 0.10 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 2kb2 h ALA 30 CO 0.00 -0.23 0.46 1.03 0.00 0.00 0.00 179.25 180.51 2kb2 h SER 31 N -0.59 0.00 0.13 0.00 0.87 -0.90 0.27 113.55 113.32 2kb2 h SER 31 Ca -0.02 0.00 -0.16 0.00 -1.23 0.00 0.00 61.79 60.39 2kb2 h SER 31 Cb 0.12 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.07 2kb2 h SER 31 CO 0.03 0.00 -0.58 -1.28 -0.53 0.00 0.00 176.83 174.46 2kb2 h SER 32 N 0.00 0.52 0.18 6.23 0.87 -1.43 -1.18 113.55 118.74 2kb2 h SER 32 Ca 0.20 -0.29 -0.34 0.00 -1.23 0.00 0.00 61.79 60.14 2kb2 h SER 32 Cb 1.12 -0.15 0.01 0.00 -0.44 0.00 0.00 62.40 62.94 2kb2 h SER 32 CO -0.00 0.98 -1.69 0.50 -0.53 0.00 0.00 176.83 176.10 2kb2 h LYS 33 N 0.35 0.38 0.00 2.24 3.64 -0.46 -3.36 116.57 119.35 2kb2 h LYS 33 Ca -0.00 -0.64 -0.10 0.00 -1.27 0.00 0.00 60.65 58.64 2kb2 h LYS 33 Cb 1.12 0.24 -0.01 0.00 -0.41 0.00 0.00 32.23 33.16 2kb2 h LYS 33 CO 0.10 1.31 -0.46 -0.91 -2.27 0.00 0.00 179.45 177.22 2kb2 h ASN 34 N 0.04 0.00 0.59 4.20 4.21 -1.04 -2.81 115.58 120.77 2kb2 h ASN 34 Ca -0.34 0.00 -0.02 0.00 1.21 0.00 0.00 56.30 57.15 2kb2 h ASN 34 Cb 2.04 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 39.23 2kb2 h ASN 34 CO 0.16 0.46 -0.43 0.25 -1.29 0.00 0.00 177.43 176.59 2kb2 h LEU 35 N 0.00 -1.12 -1.52 1.61 5.85 -1.33 0.34 115.31 119.14 2kb2 h LEU 35 Ca -0.00 0.07 -0.04 0.00 0.84 0.00 0.00 57.88 58.74 2kb2 h LEU 35 Cb 0.88 0.34 -0.01 0.00 0.37 0.00 0.00 40.66 42.24 2kb2 h LEU 35 CO 0.06 -0.62 -0.21 1.55 -0.34 0.00 0.00 178.44 178.87 2kb2 h PRO 36 N -0.98 0.00 0.00 5.25 0.13 -1.73 -2.35 132.00 132.32 2kb2 h PRO 36 Ca -0.08 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.03 2kb2 h PRO 36 Cb 0.80 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.93 2kb2 h PRO 36 CO 0.04 0.21 -0.11 -0.07 -0.23 0.00 0.00 178.00 177.84 2kb2 h LEU 37 N 0.00 0.00 0.00 1.56 4.07 -1.22 -3.46 115.31 116.26 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 0.54 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.28 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 0.12 0.72 3.85 0.83 0.00 -0.40 -4.97 105.19 105.33 2kb2 n GLY 38 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 2kb2 n GLY 38 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2kb2 s ILE 39 N -2.24 4.76 0.05 -0.61 1.01 0.10 -4.59 121.20 119.68 2kb2 s ILE 39 Ca 0.00 0.85 -0.01 0.00 0.00 0.00 0.00 60.65 61.48 2kb2 s ILE 39 Cb 0.00 -3.67 -0.03 0.00 0.01 0.00 0.00 42.46 38.76 2kb2 s ILE 39 CO 0.00 -0.02 -0.01 0.42 0.00 0.00 0.00 174.94 175.33 2kb2 s THR 40 N -1.78 0.19 -4.13 2.92 -4.23 -0.56 -3.92 115.64 104.13 2kb2 s THR 40 Ca 0.48 -1.59 0.00 0.00 -1.18 0.00 0.00 61.69 59.40 2kb2 s THR 40 Cb -0.12 -1.26 0.00 0.00 1.34 0.00 0.00 72.50 72.46 2kb2 s THR 40 CO 0.19 -0.88 0.00 0.61 -0.54 0.00 0.00 174.62 174.01 2kb2 n GLY 41 N 0.40 -0.66 3.30 3.99 0.00 -0.28 0.17 105.19 112.11 2kb2 n GLY 41 Ca -0.16 -1.05 -0.12 0.00 0.00 0.00 0.00 46.02 44.69 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 -0.47 -3.33 121.20 116.24 2kb2 s ILE 42 Ca 0.00 -0.54 0.11 0.00 -1.41 0.00 0.00 60.65 58.80 2kb2 s ILE 42 Cb 0.00 -0.99 -0.06 0.00 0.13 0.00 0.00 42.46 41.54 2kb2 s ILE 42 CO 0.00 -0.30 -0.12 -0.76 -1.91 0.00 0.00 174.94 171.85 2kb2 s LEU 43 N -2.16 2.74 0.04 8.50 1.43 -0.64 -0.25 118.68 128.34 2kb2 s LEU 43 Ca -0.04 -1.05 -0.04 0.00 -1.03 0.00 0.00 54.13 51.97 2kb2 s LEU 43 Cb -0.00 -1.15 -0.02 0.00 0.03 0.00 0.00 46.19 45.05 2kb2 s LEU 43 CO -0.04 -0.08 0.05 -0.76 0.23 0.00 0.00 176.35 175.75 2kb2 s LEU 44 N -3.58 1.99 -0.14 1.79 1.02 0.14 0.52 118.68 120.42 2kb2 s LEU 44 Ca 0.32 -0.61 -0.09 0.00 0.02 0.00 0.00 54.13 53.77 2kb2 s LEU 44 Cb -0.02 0.46 0.05 0.00 0.02 0.00 0.00 46.19 46.70 2kb2 s LEU 44 CO 0.16 -0.49 0.35 0.12 0.02 0.00 0.00 176.35 176.51 2kb2 s PHE 45 N -2.65 -0.47 0.00 0.29 5.36 -0.68 -2.23 117.98 117.60 2kb2 s PHE 45 Ca -0.05 1.06 0.00 0.00 -0.96 0.00 0.00 56.93 56.98 2kb2 s PHE 45 Cb -0.01 0.17 0.00 0.00 -0.34 0.00 0.00 43.02 42.84 2kb2 s PHE 45 CO -0.05 -0.27 0.93 0.27 -1.46 0.00 0.00 175.22 174.64 2kb2 n ASN 46 N 3.88 1.80 0.00 6.13 0.23 -1.19 0.73 115.26 126.84 2kb2 n ASN 46 Ca -0.21 -1.86 0.00 0.00 -0.53 0.00 0.00 54.58 51.98 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 -0.43 0.55 0.00 4.83 0.00 -1.26 -4.74 105.19 104.14 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 -4.71 0.99 -0.00 -1.26 -4.94 117.00 107.08 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 -0.07 0.00 -0.00 0.00 0.00 43.42 43.35 2kb2 n LEU 48 CO 0.00 0.00 -0.21 -1.10 -0.00 0.00 0.00 177.39 176.08 2kb2 s GLN 49 N -1.00 2.24 -0.27 1.96 -0.21 -1.26 -0.32 119.66 120.80 2kb2 s GLN 49 Ca 0.00 -1.71 -0.01 0.00 0.02 0.00 0.00 55.36 53.66 2kb2 s GLN 49 Cb 0.00 -2.04 0.08 0.00 1.00 0.00 0.00 33.01 32.06 2kb2 s GLN 49 CO 0.00 0.04 0.05 -0.06 -2.12 0.00 0.00 175.29 173.20 2kb2 s PHE 50 N -2.51 1.75 -0.17 0.91 0.08 -0.62 -3.17 117.98 114.23 2kb2 s PHE 50 Ca 0.38 -1.58 -0.20 0.00 0.12 0.00 0.00 56.93 55.66 2kb2 s PHE 50 Cb 0.00 -1.58 -0.03 0.00 -0.57 0.00 0.00 43.02 40.85 2kb2 s PHE 50 CO 0.22 -0.80 0.57 0.12 -0.10 0.00 0.00 175.22 175.23 2kb2 s PHE 51 N 1.61 3.41 -0.21 0.36 5.36 -0.95 -1.23 117.98 126.34 2kb2 s PHE 51 Ca 0.05 0.90 0.00 0.00 -0.96 0.00 0.00 56.93 56.91 2kb2 s PHE 51 Cb -0.18 -2.72 0.05 0.00 -0.34 0.00 0.00 43.02 39.84 2kb2 s PHE 51 CO -0.17 -0.07 -0.05 -1.14 -1.46 0.00 0.00 175.22 172.33 2kb2 s GLN 52 N 1.52 1.52 -0.30 10.12 0.74 0.82 0.27 119.66 134.35 2kb2 s GLN 52 Ca 0.27 -0.79 -0.22 0.00 0.05 0.00 0.00 55.36 54.68 2kb2 s GLN 52 Cb -0.16 -2.37 -0.00 0.00 1.10 0.00 0.00 33.01 31.58 2kb2 s GLN 52 CO 0.11 -0.54 0.72 0.08 -0.55 0.00 0.00 175.29 175.10 2kb2 s VAL 53 N 1.51 4.86 -0.03 1.34 1.01 0.66 -1.75 120.40 128.00 2kb2 s VAL 53 Ca -0.03 1.05 0.05 0.00 0.00 0.00 0.00 61.98 63.05 2kb2 s VAL 53 Cb -0.17 -4.08 -0.03 0.00 0.00 0.00 0.00 36.38 32.10 2kb2 s VAL 53 CO -0.07 -0.19 -0.16 -0.22 0.00 0.00 0.00 175.10 174.46 2kb2 s LEU 54 N 2.79 2.64 0.08 3.92 2.96 0.11 -1.37 118.68 129.82 2kb2 s LEU 54 Ca 0.29 -0.26 0.06 0.00 -0.22 0.00 0.00 54.13 54.00 2kb2 s LEU 54 Cb -0.15 -1.53 -0.03 0.00 0.50 0.00 0.00 46.19 44.98 2kb2 s LEU 54 CO 0.12 0.33 -0.17 -1.61 -1.32 0.00 0.00 176.35 173.70 2kb2 s GLU 55 N -0.83 0.93 0.00 1.98 0.41 0.45 -0.78 118.70 120.86 2kb2 s GLU 55 Ca 0.12 -1.04 0.00 0.00 -0.41 0.00 0.00 54.97 53.64 2kb2 s GLU 55 Cb -0.11 -1.03 0.00 0.00 -1.78 0.00 0.00 34.13 31.22 2kb2 s GLU 55 CO 0.01 0.23 0.00 0.41 -0.49 0.00 0.00 175.26 175.42 2kb2 n GLY 56 N 1.19 0.95 3.63 -1.39 0.00 0.20 -1.50 105.19 108.26 2kb2 n GLY 56 Ca -0.20 -2.14 -0.44 0.00 0.00 0.00 0.00 46.02 43.23 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 -1.45 1.91 0.01 2.61 -2.24 -1.26 0.39 114.28 114.25 2kb2 n THR 57 Ca 0.00 -0.48 0.20 0.00 -2.27 0.00 0.00 64.05 61.51 2kb2 n THR 57 Cb 0.00 -1.21 0.70 0.00 -2.10 0.00 0.00 70.33 67.72 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 2.33 0.00 -0.44 -0.78 4.81 -1.86 0.21 114.58 118.86 2kb2 h GLU 58 Ca -0.42 0.00 -0.10 0.00 -0.13 0.00 0.00 59.36 58.71 2kb2 h GLU 58 Cb 1.32 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.68 2kb2 h GLU 58 CO 0.62 0.00 -0.14 1.05 -0.73 0.00 0.00 179.01 179.81 2kb2 h GLU 59 N 0.00 0.81 0.01 1.92 4.11 -1.93 -1.64 114.58 117.86 2kb2 h GLU 59 Ca 0.24 -0.29 -0.26 0.00 0.07 0.00 0.00 59.36 59.13 2kb2 h GLU 59 Cb 1.01 -0.06 0.02 0.00 0.50 0.00 0.00 28.75 30.22 2kb2 h GLU 59 CO -0.00 0.90 -1.01 0.00 0.07 0.00 0.00 179.01 178.97 2kb2 h ALA 60 N 1.12 0.11 0.39 1.06 0.00 -1.01 -2.91 119.26 118.02 2kb2 h ALA 60 Ca 0.12 -0.69 -0.01 0.00 0.00 0.00 0.00 54.91 54.33 2kb2 h ALA 60 Cb 0.64 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 2kb2 h ALA 60 CO 0.04 0.65 -0.27 -0.07 0.00 0.00 0.00 179.25 179.60 2kb2 h LEU 61 N 0.33 -0.69 0.70 0.00 4.07 -0.89 -1.18 115.31 117.65 2kb2 h LEU 61 Ca -0.13 0.05 -0.03 0.00 0.08 0.00 0.00 57.88 57.85 2kb2 h LEU 61 Cb 1.67 0.22 -0.01 0.00 1.08 0.00 0.00 40.66 43.62 2kb2 h LEU 61 CO 0.20 -0.42 -0.48 -0.08 -1.08 0.00 0.00 178.44 176.58 2kb2 h GLU 62 N -0.65 -1.08 -0.48 1.13 4.81 -1.41 0.17 114.58 117.07 2kb2 h GLU 62 Ca -0.04 0.07 0.10 0.00 -0.13 0.00 0.00 59.36 59.36 2kb2 h GLU 62 Cb 0.55 0.25 -0.09 0.00 0.63 0.00 0.00 28.75 30.08 2kb2 h GLU 62 CO 0.02 -0.72 -0.13 1.03 -0.73 0.00 0.00 179.01 178.48 2kb2 h SER 63 N -1.12 -0.48 0.49 1.04 0.87 -1.53 0.63 113.55 113.45 2kb2 h SER 63 Ca -0.09 0.15 -0.02 0.00 -1.23 0.00 0.00 61.79 60.59 2kb2 h SER 63 Cb 0.92 0.31 0.00 0.00 -0.44 0.00 0.00 62.40 63.19 2kb2 h SER 63 CO 0.06 -0.17 -0.24 0.25 -0.53 0.00 0.00 176.83 176.20 2kb2 h LEU 64 N -0.01 -0.56 -1.99 2.23 6.46 -1.11 -1.86 115.31 118.46 2kb2 h LEU 64 Ca 0.23 0.02 0.34 0.00 -0.12 0.00 0.00 57.88 58.35 2kb2 h LEU 64 Cb 0.37 0.14 -0.05 0.00 -0.73 0.00 0.00 40.66 40.39 2kb2 h LEU 64 CO -0.50 -0.33 0.84 0.15 -0.62 0.00 0.00 178.44 177.97 2kb2 h PHE 65 N -0.79 0.00 0.00 1.25 3.57 -0.49 1.23 116.94 121.70 2kb2 h PHE 65 Ca -0.07 0.00 -0.10 0.00 3.53 0.00 0.00 57.97 61.33 2kb2 h PHE 65 Cb 0.51 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.23 2kb2 h PHE 65 CO 0.07 0.00 -0.47 0.77 -2.23 0.00 0.00 178.31 176.45 2kb2 h SER 66 N 0.00 0.00 0.90 0.41 0.02 0.54 -2.55 113.55 112.86 2kb2 h SER 66 Ca 0.55 0.00 -0.14 0.00 -0.84 0.00 0.00 61.79 61.36 2kb2 h SER 66 Cb 2.23 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 64.75 2kb2 h SER 66 CO -0.01 0.47 -0.65 -0.33 -1.14 0.00 0.00 176.83 175.17 2kb2 h GLU 67 N 0.00 0.00 0.40 3.45 4.39 0.23 -3.26 114.58 119.79 2kb2 h GLU 67 Ca -0.00 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.68 2kb2 h GLU 67 Cb 1.11 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.76 2kb2 h GLU 67 CO 0.06 0.65 -0.19 0.82 -1.16 0.00 0.00 179.01 179.19 2kb2 h ILE 68 N 0.00 0.60 0.00 3.13 5.03 -0.79 -2.34 117.51 123.14 2kb2 h ILE 68 Ca -0.01 -0.21 0.00 0.00 -0.12 0.00 0.00 64.86 64.52 2kb2 h ILE 68 Cb 1.28 0.71 0.00 0.00 -3.03 0.00 0.00 36.82 35.78 2kb2 h ILE 68 CO 0.09 0.04 0.00 0.00 -0.68 0.00 0.00 178.15 177.60 2kb2 n GLN 69 N -5.27 0.01 -0.44 2.37 6.02 -1.09 -0.22 117.38 118.76 2kb2 n GLN 69 Ca -0.11 0.48 0.08 0.00 -0.01 0.00 0.00 57.00 57.44 2kb2 n GLN 69 Cb 0.26 -1.52 0.28 0.00 1.02 0.00 0.00 30.24 30.28 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 -1.53 3.65 -4.91 1.08 2.88 -0.88 -4.93 113.62 108.99 2kb2 n SER 70 Ca 0.00 -2.25 -0.31 0.00 -1.33 0.00 0.00 58.87 54.98 2kb2 n SER 70 Cb 0.02 -0.48 -0.04 0.00 -0.75 0.00 0.00 64.21 62.96 2kb2 n SER 70 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 2kb2 s ASP 71 N -0.86 6.43 0.01 -3.46 2.15 0.70 -5.03 116.67 116.60 2kb2 s ASP 71 Ca 0.40 0.45 0.12 0.00 0.43 0.00 0.00 52.55 53.95 2kb2 s ASP 71 Cb 0.24 -2.03 -0.21 0.00 -0.30 0.00 0.00 42.92 40.62 2kb2 s ASP 71 CO 0.21 0.09 0.82 1.55 -0.17 0.00 0.00 175.17 177.68 2kb2 h PRO 72 N 2.87 0.00 0.00 4.34 0.13 -1.91 -3.42 132.00 134.01 2kb2 h PRO 72 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 2kb2 h PRO 72 Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 2kb2 h PRO 72 CO 0.74 0.58 0.00 -2.13 -0.23 0.00 0.00 178.00 176.95 2kb2 n ARG 73 N -3.10 0.00 0.00 0.86 0.63 -1.26 -4.73 116.66 109.06 2kb2 n ARG 73 Ca -0.12 0.20 0.00 0.00 -0.92 0.00 0.00 57.85 57.00 2kb2 n ARG 73 Cb 1.00 -1.01 0.00 0.00 0.45 0.00 0.00 32.46 32.91 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 -0.71 -0.57 0.22 -0.14 1.44 -1.26 -3.58 115.22 110.62 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 -1.77 -1.40 1.85 -1.26 -4.68 116.66 109.40 2kb2 n ARG 75 Ca 0.00 0.00 -0.34 0.00 -1.00 0.00 0.00 57.85 56.51 2kb2 n ARG 75 Cb 0.00 0.00 -0.03 0.00 -1.05 0.00 0.00 32.46 31.38 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 -3.42 7.29 -4.67 2.89 2.03 -1.26 -4.84 116.55 114.57 2kb2 n ASP 76 Ca 0.00 -3.19 -0.43 0.00 0.52 0.00 0.00 54.79 51.70 2kb2 n ASP 76 Cb 0.00 -1.30 -0.02 0.00 -0.72 0.00 0.00 41.12 39.08 2kb2 n ASP 76 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 2kb2 s VAL 77 N -1.75 4.55 -0.01 5.18 0.11 -1.25 -3.89 120.40 123.34 2kb2 s VAL 77 Ca 0.56 1.85 0.02 0.00 -2.93 0.00 0.00 61.98 61.48 2kb2 s VAL 77 Cb 0.28 -4.19 -0.00 0.00 -1.53 0.00 0.00 36.38 30.93 2kb2 s VAL 77 CO -0.16 -0.09 -0.07 -0.69 -3.33 0.00 0.00 175.10 170.76 2kb2 s VAL 78 N 2.74 0.58 -0.24 2.04 1.01 -0.79 -4.92 120.40 120.82 2kb2 s VAL 78 Ca 0.50 -0.30 -0.28 0.00 0.00 0.00 0.00 61.98 61.89 2kb2 s VAL 78 Cb -0.19 -0.50 -0.05 0.00 0.00 0.00 0.00 36.38 35.64 2kb2 s VAL 78 CO 0.14 0.17 2.18 -0.70 0.00 0.00 0.00 175.10 176.90 2kb2 s GLU 79 N -0.09 3.10 0.01 2.72 2.12 -1.26 -2.35 118.70 122.95 2kb2 s GLU 79 Ca 0.02 1.93 0.11 0.00 0.36 0.00 0.00 54.97 57.39 2kb2 s GLU 79 Cb -0.04 -4.37 -0.21 0.00 0.26 0.00 0.00 34.13 29.77 2kb2 s GLU 79 CO -0.00 -2.14 0.85 -0.07 -0.54 0.00 0.00 175.26 173.35 2kb2 h LEU 80 N 15.17 0.00 -8.21 2.70 4.07 0.97 -3.48 115.31 126.53 2kb2 h LEU 80 Ca -0.39 0.00 -0.05 0.00 0.08 0.00 0.00 57.88 57.51 2kb2 h LEU 80 Cb 1.23 0.00 -0.08 0.00 1.08 0.00 0.00 40.66 42.90 2kb2 h LEU 80 CO 0.98 0.97 -0.04 -0.32 -1.08 0.00 0.00 178.44 178.95 2kb2 s MET 81 N -2.65 1.67 0.00 1.13 1.75 0.94 -4.87 119.30 117.26 2kb2 s MET 81 Ca -0.03 -1.27 0.00 0.00 -1.25 0.00 0.00 55.69 53.14 2kb2 s MET 81 Cb 0.09 0.50 0.00 0.00 2.84 0.00 0.00 34.83 38.26 2kb2 s MET 81 CO 0.82 -0.72 0.00 -2.13 -0.65 0.00 0.00 175.02 172.35 2kb2 n ARG 82 N -0.42 0.00 -4.39 4.11 0.63 -0.99 -1.01 116.66 114.58 2kb2 n ARG 82 Ca -0.02 0.00 -0.22 0.00 -0.92 0.00 0.00 57.85 56.69 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 1.99 0.39 6.15 -1.08 -0.76 -4.90 116.67 118.45 2kb2 s ASP 83 Ca 0.00 -0.53 -0.27 0.00 -0.52 0.00 0.00 52.55 51.23 2kb2 s ASP 83 Cb 0.00 -0.13 -0.10 0.00 -1.46 0.00 0.00 42.92 41.24 2kb2 s ASP 83 CO 0.00 0.05 1.37 -0.31 0.52 0.00 0.00 175.17 176.81 2kb2 s TYR 84 N -0.93 2.75 0.27 -5.34 2.02 -1.26 0.23 117.35 115.09 2kb2 s TYR 84 Ca 0.03 1.32 -0.05 0.00 -0.37 0.00 0.00 57.07 58.01 2kb2 s TYR 84 Cb -0.09 -3.81 -0.01 0.00 -0.40 0.00 0.00 41.96 37.65 2kb2 s TYR 84 CO 0.02 -2.41 0.37 -1.12 -1.57 0.00 0.00 175.55 170.84 2kb2 s SER 85 N -0.48 0.40 0.00 2.29 0.01 -0.04 -4.79 113.70 111.08 2kb2 s SER 85 Ca 0.55 -1.28 0.00 0.00 1.31 0.00 0.00 55.95 56.53 2kb2 s SER 85 Cb -0.42 0.55 0.00 0.00 0.21 0.00 0.00 66.02 66.37 2kb2 s SER 85 CO 0.55 -1.11 0.41 0.00 0.41 0.00 0.00 173.24 173.50 2kb2 n ALA 86 N -0.42 0.83 -3.16 1.44 0.00 -1.26 -2.08 120.51 115.86 2kb2 n ALA 86 Ca 0.01 -0.41 -0.12 0.00 0.00 0.00 0.00 53.44 52.92 2kb2 n ALA 86 Cb 0.63 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.98 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 -0.04 -0.05 -0.27 0.00 1.13 -1.26 -4.91 117.35 111.94 2kb2 s TYR 87 Ca 0.00 0.04 -0.13 0.00 -1.41 0.00 0.00 57.07 55.57 2kb2 s TYR 87 Cb 0.00 0.01 -0.04 0.00 -1.10 0.00 0.00 41.96 40.83 2kb2 s TYR 87 CO 0.00 -0.32 0.29 1.03 -2.51 0.00 0.00 175.55 174.04 2kb2 s ARG 88 N -1.32 3.99 0.13 -3.49 0.52 -1.26 -4.96 118.95 112.55 2kb2 s ARG 88 Ca -0.14 -0.12 -0.03 0.00 -0.52 0.00 0.00 55.73 54.92 2kb2 s ARG 88 Cb -0.07 -3.66 -0.11 0.00 0.52 0.00 0.00 34.95 31.64 2kb2 s ARG 88 CO 0.03 -0.23 1.29 0.00 0.02 0.00 0.00 175.30 176.40 2kb2 h ARG 89 N 8.26 0.34 -1.61 3.54 -0.00 -1.97 -3.29 114.38 119.65 2kb2 h ARG 89 Ca -0.33 -0.40 -0.70 0.00 -0.50 0.00 0.00 59.98 58.05 2kb2 h ARG 89 Cb 1.17 0.12 -0.32 0.00 0.00 0.00 0.00 29.97 30.95 2kb2 h ARG 89 CO 0.60 1.09 0.50 1.19 0.00 0.00 0.00 179.97 183.36 2kb2 n PHE 90 N -3.69 3.11 0.26 3.04 3.01 -1.26 -2.61 117.46 119.32 2kb2 n PHE 90 Ca -0.06 -2.62 0.15 0.00 1.01 0.00 0.00 57.45 55.93 2kb2 n PHE 90 Cb 0.86 -0.94 0.79 0.00 -0.01 0.00 0.00 39.48 40.19 2kb2 n PHE 90 CO 0.00 0.00 0.00 1.25 1.01 0.00 0.00 176.76 179.02 2kb2 h HIS 91 N 2.66 0.00 0.00 1.38 2.76 -1.89 0.11 115.15 120.16 2kb2 h HIS 91 Ca 0.50 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.67 2kb2 h HIS 91 Cb 0.48 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.44 2kb2 h HIS 91 CO 1.13 0.00 -1.23 0.41 -1.30 0.00 0.00 177.93 176.94 2kb2 n GLY 92 N -1.21 -1.12 2.70 5.26 0.00 -1.26 -4.88 105.19 104.67 2kb2 n GLY 92 Ca -0.02 -0.47 -0.19 0.00 0.00 0.00 0.00 46.02 45.34 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 -3.23 -0.10 0.29 2.61 2.01 0.38 -5.02 115.64 112.57 2kb2 s THR 93 Ca 0.02 0.38 0.10 0.00 0.31 0.00 0.00 61.69 62.50 2kb2 s THR 93 Cb 0.15 -0.14 -0.00 0.00 0.01 0.00 0.00 72.50 72.51 2kb2 s THR 93 CO 0.84 0.16 1.65 1.23 -0.69 0.00 0.00 174.62 177.81 2kb2 h GLY 94 N 8.21 0.05 -5.74 4.40 0.00 -1.82 -3.22 103.07 104.95 2kb2 h GLY 94 Ca -0.19 -0.05 0.11 0.00 0.00 0.00 0.00 47.33 47.20 2kb2 h GLY 94 CO 0.22 0.05 0.53 -0.29 0.00 0.00 0.00 176.54 177.04 2kb2 s MET 95 N -3.77 0.36 -0.27 4.80 1.75 -1.21 -1.12 119.30 119.83 2kb2 s MET 95 Ca -0.02 0.49 0.00 0.00 -1.25 0.00 0.00 55.69 54.91 2kb2 s MET 95 Cb 0.13 0.14 0.16 0.00 2.84 0.00 0.00 34.83 38.10 2kb2 s MET 95 CO 0.76 -0.05 0.45 0.50 -0.65 0.00 0.00 175.02 176.02 2kb2 s ARG 96 N 0.56 0.43 0.94 4.11 3.00 -1.22 -4.49 118.95 122.28 2kb2 s ARG 96 Ca -0.00 0.45 -0.10 0.00 -1.00 0.00 0.00 55.73 55.08 2kb2 s ARG 96 Cb -0.04 -0.18 0.16 0.00 0.00 0.00 0.00 34.95 34.88 2kb2 s ARG 96 CO -0.11 -0.83 1.14 -1.50 0.00 0.00 0.00 175.30 174.00 2kb2 s ILE 97 N 2.62 2.04 -0.35 4.11 -1.16 -1.25 -1.61 121.20 125.60 2kb2 s ILE 97 Ca 0.12 0.01 -0.01 0.00 -0.51 0.00 0.00 60.65 60.27 2kb2 s ILE 97 Cb -0.14 -2.03 0.13 0.00 0.61 0.00 0.00 42.46 41.04 2kb2 s ILE 97 CO -0.23 -0.02 0.19 -0.22 -2.81 0.00 0.00 174.94 171.85 2kb2 s LEU 98 N -6.67 1.14 -0.89 8.50 2.96 0.19 -4.74 118.68 119.16 2kb2 s LEU 98 Ca 0.67 -2.03 -0.26 0.00 -0.22 0.00 0.00 54.13 52.29 2kb2 s LEU 98 Cb -0.23 -0.48 -0.13 0.00 0.50 0.00 0.00 46.19 45.85 2kb2 s LEU 98 CO 0.59 -0.34 2.22 -0.62 -1.32 0.00 0.00 176.35 176.88 2kb2 s ASP 99 N 1.22 4.17 0.64 3.68 2.15 -1.26 -1.69 116.67 125.59 2kb2 s ASP 99 Ca 0.16 -0.40 0.35 0.00 0.43 0.00 0.00 52.55 53.09 2kb2 s ASP 99 Cb -0.22 -2.56 1.94 0.00 -0.30 0.00 0.00 42.92 41.79 2kb2 s ASP 99 CO -0.08 -3.72 2.15 -0.07 -0.17 0.00 0.00 175.17 173.29 2kb2 h LEU 100 N 21.14 0.00 -1.55 -1.34 3.38 -0.04 0.20 115.31 137.10 2kb2 h LEU 100 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 2kb2 h LEU 100 Cb 1.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.75 2kb2 h LEU 100 CO 1.07 0.00 0.06 0.03 0.09 0.00 0.00 178.44 179.69 2kb2 h ARG 101 N 0.00 0.00 0.05 1.13 3.08 -1.84 -1.55 114.38 115.25 2kb2 h ARG 101 Ca 0.03 0.00 -0.34 0.00 0.07 0.00 0.00 59.98 59.74 2kb2 h ARG 101 Cb 0.35 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.36 2kb2 h ARG 101 CO -0.00 0.00 -1.92 1.28 -1.07 0.00 0.00 179.97 178.26 2kb2 n LEU 102 N -2.34 2.36 0.00 3.04 4.77 0.69 -5.01 117.00 120.52 2kb2 n LEU 102 Ca -0.02 0.24 0.00 0.00 -0.03 0.00 0.00 56.01 56.20 2kb2 n LEU 102 Cb 0.09 -1.00 0.00 0.00 -2.33 0.00 0.00 43.42 40.18 2kb2 n LEU 102 CO 0.10 0.65 0.00 0.49 -1.33 0.00 0.00 177.39 177.31 2kb2 n PHE 103 N -3.84 0.00 -2.78 -1.77 3.01 -0.58 -5.07 117.46 106.43 2kb2 n PHE 103 Ca -0.37 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.09 2kb2 n PHE 103 Cb 0.91 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.38 2kb2 n PHE 103 CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16 2kb2 n GLU 104 N 0.00 0.00 0.41 -1.08 1.02 -1.26 -4.84 120.64 114.89 2kb2 n GLU 104 Ca 0.00 0.00 -0.18 0.00 -0.02 0.00 0.00 57.16 56.96 2kb2 n GLU 104 Cb 0.00 0.00 -0.09 0.00 -0.02 0.00 0.00 31.44 31.33 2kb2 n GLU 104 CO 0.00 0.00 0.00 1.15 1.18 0.00 0.00 177.13 179.46 2kb2 h THR 105 N 0.00 0.13 0.00 2.62 2.02 -1.92 0.18 112.91 115.94 2kb2 h THR 105 Ca 0.00 -0.15 -0.08 0.00 0.77 0.00 0.00 66.41 66.95 2kb2 h THR 105 Cb 0.00 0.16 -0.01 0.00 -1.74 0.00 0.00 68.15 66.56 2kb2 h THR 105 CO 0.00 0.01 -0.37 -0.78 0.37 0.00 0.00 175.52 174.75 2kb2 h ASP 106 N -1.18 0.00 -0.09 4.18 3.58 -1.98 -2.57 116.42 118.37 2kb2 h ASP 106 Ca -0.11 0.00 -0.07 0.00 0.42 0.00 0.00 57.03 57.28 2kb2 h ASP 106 Cb 0.82 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.87 2kb2 h ASP 106 CO 0.18 0.37 -0.21 1.23 -2.88 0.00 0.00 179.24 177.93 2kb2 h GLY 107 N 3.20 0.32 0.56 -0.78 0.00 -1.92 -2.39 103.07 102.07 2kb2 h GLY 107 Ca -0.00 -0.40 -0.01 0.00 0.00 0.00 0.00 47.33 46.92 2kb2 h GLY 107 CO 0.05 0.35 -0.02 0.00 0.00 0.00 0.00 176.54 176.92 2kb2 h ALA 108 N 0.49 0.04 -0.96 3.60 0.00 -0.71 -2.45 119.26 119.26 2kb2 h ALA 108 Ca -0.00 -0.25 0.16 0.00 0.00 0.00 0.00 54.91 54.82 2kb2 h ALA 108 Cb 0.81 -0.01 -0.10 0.00 0.00 0.00 0.00 17.79 18.49 2kb2 h ALA 108 CO 0.04 -0.20 0.57 1.25 0.00 0.00 0.00 179.25 180.92 2kb2 h LEU 109 N -0.39 0.75 -0.87 0.00 5.85 -1.56 0.21 115.31 119.30 2kb2 h LEU 109 Ca 0.00 0.09 -0.05 0.00 0.84 0.00 0.00 57.88 58.76 2kb2 h LEU 109 Cb 0.51 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.46 2kb2 h LEU 109 CO 0.01 0.30 0.21 1.05 -0.34 0.00 0.00 178.44 179.67 2kb2 h GLU 110 N 0.77 1.05 -0.08 1.25 4.11 -1.35 -2.86 114.58 117.47 2kb2 h GLU 110 Ca 0.53 -0.22 0.04 0.00 0.07 0.00 0.00 59.36 59.78 2kb2 h GLU 110 Cb 0.75 -0.16 -0.06 0.00 0.50 0.00 0.00 28.75 29.78 2kb2 h GLU 110 CO -0.36 0.90 -0.43 0.93 0.07 0.00 0.00 179.01 180.12 2kb2 h GLU 111 N 1.01 -0.52 -0.39 1.06 4.39 -0.10 0.16 114.58 120.20 2kb2 h GLU 111 Ca 0.22 0.04 0.06 0.00 0.34 0.00 0.00 59.36 60.01 2kb2 h GLU 111 Cb 0.29 0.12 -0.08 0.00 -0.10 0.00 0.00 28.75 28.97 2kb2 h GLU 111 CO -0.01 -0.34 -0.51 0.82 -1.16 0.00 0.00 179.01 177.80 2kb2 h ILE 112 N -0.54 0.04 -0.93 3.13 5.03 -1.28 0.38 117.51 123.34 2kb2 h ILE 112 Ca 0.06 0.00 0.17 0.00 -0.12 0.00 0.00 64.86 64.97 2kb2 h ILE 112 Cb 0.65 0.04 -0.10 0.00 -3.03 0.00 0.00 36.82 34.37 2kb2 h ILE 112 CO -0.37 0.00 0.52 -0.07 -0.68 0.00 0.00 178.15 177.55 2kb2 h LEU 113 N -0.39 0.65 -1.64 1.44 4.07 -1.20 0.57 115.31 118.81 2kb2 h LEU 113 Ca 0.09 0.10 0.05 0.00 0.08 0.00 0.00 57.88 58.20 2kb2 h LEU 113 Cb 0.60 -0.01 -0.03 0.00 1.08 0.00 0.00 40.66 42.30 2kb2 h LEU 113 CO -0.58 0.24 0.33 0.03 -1.08 0.00 0.00 178.44 177.38 2kb2 h ARG 114 N 0.69 0.44 0.00 1.13 2.47 0.15 -2.68 114.38 116.57 2kb2 h ARG 114 Ca 0.53 -0.03 -0.00 0.00 -1.26 0.00 0.00 59.98 59.22 2kb2 h ARG 114 Cb 0.79 -0.10 -0.00 0.00 -1.65 0.00 0.00 29.97 29.01 2kb2 h ARG 114 CO -0.38 0.29 -0.09 1.97 0.56 0.00 0.00 179.97 182.32 2kb2 n PHE 115 N -4.48 0.00 -4.44 3.04 1.16 -0.15 -5.00 117.46 107.60 2kb2 n PHE 115 Ca 0.06 -0.91 -0.22 0.00 -1.87 0.00 0.00 57.45 54.51 2kb2 n PHE 115 Cb 0.23 -0.14 -0.16 0.00 -1.61 0.00 0.00 39.48 37.79 2kb2 n PHE 115 CO 0.00 0.00 0.00 0.45 -1.87 0.00 0.00 176.76 175.34 2kb2 s SER 116 N -2.69 1.41 -1.06 5.98 0.15 0.18 -4.67 113.70 113.01 2kb2 s SER 116 Ca 0.29 -0.22 -0.06 0.00 0.70 0.00 0.00 55.95 56.66 2kb2 s SER 116 Cb 0.26 -0.56 0.28 0.00 -1.71 0.00 0.00 66.02 64.29 2kb2 s SER 116 CO 0.02 0.03 1.19 0.35 1.20 0.00 0.00 173.24 176.03 2kb2 n THR 117 N 3.66 4.55 -1.41 6.45 -2.24 -1.07 -4.60 114.28 119.61 2kb2 n THR 117 Ca -0.22 -5.54 -0.39 0.00 -2.27 0.00 0.00 64.05 55.63 2kb2 n THR 117 Cb 0.52 -2.37 -0.02 0.00 -2.10 0.00 0.00 70.33 66.36 2kb2 n THR 117 CO 0.00 0.00 0.00 2.22 -0.57 0.00 0.00 175.07 176.72 2kb2 n PHE 118 N 2.09 2.59 0.91 4.78 -1.74 -1.26 -4.66 117.46 120.16 2kb2 n PHE 118 Ca 0.25 -3.07 0.00 0.00 -0.56 0.00 0.00 57.45 54.07 2kb2 n PHE 118 Cb 0.37 -2.47 0.00 0.00 1.52 0.00 0.00 39.48 38.90 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 3.55 1.48 0.88 4.97 0.00 -1.26 -4.85 105.19 109.97 2kb2 n GLY 119 Ca 0.74 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.68 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 0.18 0.00 0.20 1.61 0.24 -1.26 -4.99 118.33 114.32 2kb2 n VAL 120 Ca 0.00 -0.07 -0.08 0.00 -2.04 0.00 0.00 64.34 62.15 2kb2 n VAL 120 Cb 0.29 -0.66 -0.04 0.00 -1.47 0.00 0.00 33.84 31.95 2kb2 n VAL 120 CO 0.00 0.00 0.00 0.74 -2.14 0.00 0.00 176.83 175.43 2kb2 h THR 121 N -2.13 0.00 -2.11 3.34 2.02 -2.03 -3.45 112.91 108.55 2kb2 h THR 121 Ca -0.11 -0.22 -0.23 0.00 0.77 0.00 0.00 66.41 66.63 2kb2 h THR 121 Cb 0.34 0.00 -0.32 0.00 -1.74 0.00 0.00 68.15 66.43 2kb2 h THR 121 CO 0.07 0.00 -0.55 -1.61 0.37 0.00 0.00 175.52 173.80 2kb2 s GLU 122 N -3.58 0.30 0.00 6.66 2.02 -1.26 -5.00 118.70 117.84 2kb2 s GLU 122 Ca -0.08 0.31 0.14 0.00 0.02 0.00 0.00 54.97 55.37 2kb2 s GLU 122 Cb 0.01 -0.72 0.70 0.00 0.10 0.00 0.00 34.13 34.22 2kb2 s GLU 122 CO 0.24 -0.73 1.42 -0.35 0.02 0.00 0.00 175.26 175.85 2kb2 n PRO 123 N 5.34 0.14 0.00 0.39 -0.04 -1.26 -3.68 135.00 135.90 2kb2 n PRO 123 Ca -0.04 0.18 0.00 0.00 -0.04 0.00 0.00 63.50 63.60 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 -1.35 0.00 1.06 0.52 0.31 -1.26 -3.13 118.33 114.47 2kb2 n VAL 124 Ca 0.06 1.19 0.00 0.00 -0.01 0.00 0.00 64.34 65.58 2kb2 n VAL 124 Cb 0.13 -2.18 0.00 0.00 -0.91 0.00 0.00 33.84 30.88 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 -1.09 0.83 -4.66 4.52 2.04 -1.25 -4.74 115.26 110.90 2kb2 n ASN 125 Ca 0.00 -1.89 -0.42 0.00 -0.44 0.00 0.00 54.58 51.83 2kb2 n ASN 125 Cb 0.00 -0.41 -0.03 0.00 -2.53 0.00 0.00 39.78 36.81 2kb2 n ASN 125 CO 0.00 0.00 0.00 -0.62 -0.44 0.00 0.00 177.26 176.20 2kb2 s ASP 126 N -0.18 6.61 0.28 0.53 2.15 -1.18 -4.88 116.67 119.99 2kb2 s ASP 126 Ca 0.00 2.27 0.01 0.00 0.43 0.00 0.00 52.55 55.26 2kb2 s ASP 126 Cb 0.00 -2.53 0.67 0.00 -0.30 0.00 0.00 42.92 40.76 2kb2 s ASP 126 CO 0.00 -0.97 1.68 0.03 -0.17 0.00 0.00 175.17 175.74 2kb2 h ARG 127 N 9.81 0.30 -0.57 4.34 2.47 -1.91 0.23 114.38 129.05 2kb2 h ARG 127 Ca -0.40 -0.02 -0.02 0.00 -1.26 0.00 0.00 59.98 58.28 2kb2 h ARG 127 Cb 1.19 -0.07 -0.03 0.00 -1.65 0.00 0.00 29.97 29.41 2kb2 h ARG 127 CO 0.95 0.20 0.28 1.98 0.56 0.00 0.00 179.97 183.94 2kb2 h MET 128 N 0.31 0.82 0.00 0.04 1.85 -1.94 -2.16 114.93 113.85 2kb2 h MET 128 Ca 0.53 -0.12 -0.03 0.00 -0.61 0.00 0.00 59.70 59.47 2kb2 h MET 128 Cb 1.01 -0.15 -0.00 0.00 0.43 0.00 0.00 31.60 32.88 2kb2 h MET 128 CO -0.56 0.66 -0.13 0.35 -0.40 0.00 0.00 176.91 176.83 2kb2 h PHE 129 N 0.78 0.00 -0.41 1.39 3.57 -0.92 0.40 116.94 121.74 2kb2 h PHE 129 Ca 0.20 0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.73 2kb2 h PHE 129 Cb 0.11 0.00 -0.04 0.00 2.79 0.00 0.00 35.95 38.82 2kb2 h PHE 129 CO -0.00 0.13 0.21 0.00 -2.23 0.00 0.00 178.31 176.41 2kb2 h ARG 130 N 0.00 0.41 0.05 1.11 2.47 -0.42 -0.24 114.38 117.76 2kb2 h ARG 130 Ca -0.00 -0.02 -0.07 0.00 -1.26 0.00 0.00 59.98 58.62 2kb2 h ARG 130 Cb 0.32 -0.09 0.01 0.00 -1.65 0.00 0.00 29.97 28.56 2kb2 h ARG 130 CO 0.02 0.27 -0.31 -0.07 0.56 0.00 0.00 179.97 180.44 2kb2 h LEU 131 N 0.42 0.19 -0.43 3.04 3.38 -1.49 -3.01 115.31 117.41 2kb2 h LEU 131 Ca 0.18 -0.95 0.06 0.00 0.09 0.00 0.00 57.88 57.26 2kb2 h LEU 131 Cb 0.08 -0.06 -0.09 0.00 0.09 0.00 0.00 40.66 40.68 2kb2 h LEU 131 CO -0.12 1.13 -0.49 0.25 0.09 0.00 0.00 178.44 179.29 2kb2 h LEU 132 N -0.72 -1.64 -1.19 1.67 5.85 -0.83 0.23 115.31 118.68 2kb2 h LEU 132 Ca -0.05 0.23 -0.01 0.00 0.84 0.00 0.00 57.88 58.89 2kb2 h LEU 132 Cb 1.22 0.70 -0.00 0.00 0.37 0.00 0.00 40.66 42.94 2kb2 h LEU 132 CO 0.06 -0.38 -0.05 0.77 -0.34 0.00 0.00 178.44 178.49 2kb2 h SER 133 N -0.35 0.00 0.65 1.25 4.64 -1.20 -1.32 113.55 117.22 2kb2 h SER 133 Ca 0.11 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 61.26 2kb2 h SER 133 Cb 0.59 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.66 2kb2 h SER 133 CO -0.60 0.05 -0.80 0.00 -0.87 0.00 0.00 176.83 174.61 2kb2 h ALA 134 N 1.95 0.65 0.12 5.18 0.00 -0.77 0.18 119.26 126.57 2kb2 h ALA 134 Ca -0.00 -0.70 -0.29 0.00 0.00 0.00 0.00 54.91 53.92 2kb2 h ALA 134 Cb 0.63 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.32 2kb2 h ALA 134 CO 0.01 0.92 -1.39 0.35 0.00 0.00 0.00 179.25 179.13 2kb2 h PHE 135 N 0.06 0.46 -0.20 0.00 3.57 -0.42 0.18 116.94 120.59 2kb2 h PHE 135 Ca -0.02 -0.34 -0.11 0.00 3.53 0.00 0.00 57.97 61.02 2kb2 h PHE 135 Cb 1.40 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 40.11 2kb2 h PHE 135 CO 0.01 1.33 -0.36 0.82 -2.23 0.00 0.00 178.31 177.88 2kb2 h ILE 136 N 0.07 1.29 0.00 1.41 5.03 -1.21 0.18 117.51 124.28 2kb2 h ILE 136 Ca -0.19 -1.48 -0.10 0.00 -0.12 0.00 0.00 64.86 62.98 2kb2 h ILE 136 Cb 1.99 1.54 -0.01 0.00 -3.03 0.00 0.00 36.82 37.31 2kb2 h ILE 136 CO 0.18 0.46 -0.68 0.00 -0.68 0.00 0.00 178.15 177.42 2kb2 h ALA 137 N 1.24 0.11 0.00 1.87 0.00 -0.70 -3.29 119.26 118.49 2kb2 h ALA 137 Ca 0.04 -0.74 -0.35 0.00 0.00 0.00 0.00 54.91 53.85 2kb2 h ALA 137 Cb 0.81 0.47 -0.07 0.00 0.00 0.00 0.00 17.79 19.01 2kb2 h ALA 137 CO 0.07 0.45 -2.34 -3.47 0.00 0.00 0.00 179.25 173.96 2kb2 n ASP 138 N -4.56 0.92 -3.72 0.00 -0.08 0.56 -4.92 116.55 104.75 2kb2 n ASP 138 Ca -0.17 -0.05 -0.25 0.00 -1.51 0.00 0.00 54.79 52.81 2kb2 n ASP 138 Cb 0.44 0.50 0.03 0.00 2.34 0.00 0.00 41.12 44.43 2kb2 n ASP 138 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2kb2 n GLY 139 N 2.00 -0.57 0.00 0.27 0.00 0.61 -4.66 105.19 102.84 2kb2 n GLY 139 Ca -0.35 0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.94 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 -1.67 -2.40 2.87 -0.02 0.00 -1.26 -4.96 105.19 97.74 2kb2 n GLY 140 Ca -0.22 0.77 -0.02 0.00 0.00 0.00 0.00 46.02 46.55 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 -2.76 -0.00 1.61 5.12 -1.26 -4.91 116.66 114.46 2kb2 n ARG 141 Ca 0.00 2.25 -0.12 0.00 -1.93 0.00 0.00 57.85 58.04 2kb2 n ARG 141 Cb 0.00 -2.91 -0.08 0.00 -1.16 0.00 0.00 32.46 28.31 2kb2 n ARG 141 CO 0.00 0.00 0.00 0.10 -1.93 0.00 0.00 177.63 175.80 2kb2 h TYR 142 N 4.45 0.06 -0.86 -1.55 -0.00 -2.01 -3.46 116.97 113.61 2kb2 h TYR 142 Ca -0.24 -0.01 -0.25 0.00 -0.00 0.00 0.00 58.73 58.23 2kb2 h TYR 142 Cb 0.62 -0.02 -0.10 0.00 -0.00 0.00 0.00 36.73 37.23 2kb2 h TYR 142 CO 0.00 0.30 -0.23 0.00 -0.00 0.00 0.00 178.16 178.23 2kb2 h LEU 144 N 0.00 -1.36 -9.90 0.00 7.12 -2.02 -3.41 115.31 105.74 2kb2 h LEU 144 Ca -0.25 0.21 -0.48 0.00 0.13 0.00 0.00 57.88 57.49 2kb2 h LEU 144 Cb 1.02 0.60 0.01 0.00 -0.53 0.00 0.00 40.66 41.76 2kb2 h LEU 144 CO 0.37 -0.36 0.41 -2.16 -0.13 0.00 0.00 178.44 176.56 2kb2 s PRO 145 N -5.88 4.40 0.12 5.25 0.04 -1.26 -5.01 135.00 132.66 2kb2 s PRO 145 Ca -0.15 1.54 -0.31 0.00 0.04 0.00 0.00 61.00 62.13 2kb2 s PRO 145 Cb 0.12 -2.78 -0.07 0.00 0.04 0.00 0.00 34.50 31.80 2kb2 s PRO 145 CO 0.66 0.06 1.29 -2.00 0.04 0.00 0.00 177.00 177.05 2kb2 s GLU 146 N -2.10 4.39 0.36 4.56 2.12 -1.26 -4.92 118.70 121.85 2kb2 s GLU 146 Ca 0.52 1.94 0.27 0.00 0.36 0.00 0.00 54.97 58.06 2kb2 s GLU 146 Cb -0.24 -3.27 0.87 0.00 0.26 0.00 0.00 34.13 31.75 2kb2 s GLU 146 CO 0.30 -0.30 1.77 -1.00 -0.54 0.00 0.00 175.26 175.49 2kb2 h PRO 147 N 6.37 0.00 0.00 4.30 0.13 -1.95 -3.54 132.00 137.31 2kb2 h PRO 147 Ca -0.43 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 2kb2 h PRO 147 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 2kb2 h PRO 147 CO 0.82 0.00 0.00 -0.11 -0.23 0.00 0.00 178.00 178.48