#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 -2.61 -1.73 1.61 -0.58 -1.26 -4.87 120.64 111.21 2kb2 n GLU 2 Ca 0.00 2.22 -0.42 0.00 -0.42 0.00 0.00 57.16 58.54 2kb2 n GLU 2 Cb 0.00 -4.97 -0.03 0.00 -0.57 0.00 0.00 31.44 25.88 2kb2 n GLU 2 CO 0.00 0.00 0.00 1.97 -0.48 0.00 0.00 177.13 178.62 2kb2 n PHE 3 N 0.16 2.78 -4.49 -0.32 1.16 -1.26 -5.00 117.46 110.50 2kb2 n PHE 3 Ca 0.05 0.12 -0.25 0.00 -1.87 0.00 0.00 57.45 55.50 2kb2 n PHE 3 Cb 0.33 -2.64 -0.08 0.00 -1.61 0.00 0.00 39.48 35.47 2kb2 n PHE 3 CO 0.00 0.00 0.00 -1.64 -1.87 0.00 0.00 176.76 173.25 2kb2 s MET 4 N 0.54 1.92 0.48 3.97 -1.94 -1.26 -5.09 119.30 117.93 2kb2 s MET 4 Ca 0.71 -2.17 0.02 0.00 -1.71 0.00 0.00 55.69 52.54 2kb2 s MET 4 Cb -0.51 -0.50 -0.01 0.00 2.01 0.00 0.00 34.83 35.83 2kb2 s MET 4 CO 0.38 -0.51 0.05 -0.51 -0.01 0.00 0.00 175.02 174.43 2kb2 s LEU 5 N -3.59 2.15 0.06 -0.03 1.02 -0.76 -4.50 118.68 113.03 2kb2 s LEU 5 Ca 0.25 -1.69 -0.25 0.00 0.02 0.00 0.00 54.13 52.47 2kb2 s LEU 5 Cb 0.02 -0.49 0.06 0.00 0.02 0.00 0.00 46.19 45.81 2kb2 s LEU 5 CO 0.16 -0.92 0.58 -0.89 0.02 0.00 0.00 176.35 175.31 2kb2 s THR 6 N -3.00 0.01 -0.39 5.49 2.01 0.20 -0.64 115.64 119.33 2kb2 s THR 6 Ca 0.10 -0.11 0.02 0.00 0.31 0.00 0.00 61.69 62.01 2kb2 s THR 6 Cb 0.01 -1.00 0.11 0.00 0.01 0.00 0.00 72.50 71.64 2kb2 s THR 6 CO 0.06 -0.06 0.14 -0.89 -0.69 0.00 0.00 174.62 173.19 2kb2 s THR 7 N -2.58 1.77 -0.16 -0.82 2.01 0.17 0.11 115.64 116.13 2kb2 s THR 7 Ca -0.04 -2.32 -0.16 0.00 0.31 0.00 0.00 61.69 59.47 2kb2 s THR 7 Cb -0.01 -2.28 -0.04 0.00 0.01 0.00 0.00 72.50 70.18 2kb2 s THR 7 CO -0.03 -0.72 0.40 -0.22 -0.69 0.00 0.00 174.62 173.36 2kb2 s LEU 8 N 0.75 4.22 0.03 4.42 0.20 0.89 -2.11 118.68 127.08 2kb2 s LEU 8 Ca 0.13 0.63 0.07 0.00 0.69 0.00 0.00 54.13 55.65 2kb2 s LEU 8 Cb -0.21 -2.55 -0.02 0.00 -0.43 0.00 0.00 46.19 42.97 2kb2 s LEU 8 CO -0.09 -0.00 -0.20 -0.63 -0.29 0.00 0.00 176.35 175.14 2kb2 s ILE 9 N 0.84 1.58 0.24 6.68 1.01 -0.06 -0.24 121.20 131.25 2kb2 s ILE 9 Ca 0.21 -1.12 -0.11 0.00 0.00 0.00 0.00 60.65 59.64 2kb2 s ILE 9 Cb -0.14 -1.37 -0.01 0.00 0.01 0.00 0.00 42.46 40.95 2kb2 s ILE 9 CO 0.08 0.22 0.43 -0.72 0.00 0.00 0.00 174.94 174.94 2kb2 s TYR 10 N -0.75 0.49 -0.11 3.97 1.13 -0.64 0.14 117.35 121.57 2kb2 s TYR 10 Ca 0.07 -0.83 -0.07 0.00 -1.41 0.00 0.00 57.07 54.83 2kb2 s TYR 10 Cb -0.08 0.08 0.04 0.00 -1.10 0.00 0.00 41.96 40.89 2kb2 s TYR 10 CO 0.01 -0.94 0.27 -0.98 -2.51 0.00 0.00 175.55 171.40 2kb2 s ARG 11 N -4.03 0.26 0.00 -3.49 1.70 -0.65 -0.32 118.95 112.42 2kb2 s ARG 11 Ca 0.25 0.49 0.00 0.00 -0.47 0.00 0.00 55.73 56.00 2kb2 s ARG 11 Cb 0.00 -0.01 0.00 0.00 -0.57 0.00 0.00 34.95 34.38 2kb2 s ARG 11 CO 0.10 -0.11 0.00 -1.13 -1.08 0.00 0.00 175.30 173.07 2kb2 n SER 12 N 3.73 1.33 0.00 -2.89 3.41 -0.20 -0.76 113.62 118.24 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 1.25 -1.49 4.33 6.02 -1.26 -2.07 117.38 124.15 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 0.00 0.00 1.02 0.00 0.00 30.24 31.26 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 -3.06 5.09 3.14 0.18 -3.79 118.33 119.90 2kb2 n VAL 14 Ca 0.00 0.00 -0.45 0.00 -2.96 0.00 0.00 64.34 60.93 2kb2 n VAL 14 Cb 0.00 0.00 -0.03 0.00 -1.06 0.00 0.00 33.84 32.75 2kb2 n VAL 14 CO 0.00 0.00 0.00 -1.38 -6.46 0.00 0.00 176.83 168.99 2kb2 s HIS 15 N -4.36 3.20 -0.81 1.45 -3.43 -1.26 -4.76 115.29 105.31 2kb2 s HIS 15 Ca 0.00 -1.35 0.09 0.00 -0.80 0.00 0.00 55.06 53.00 2kb2 s HIS 15 Cb 0.00 -4.12 0.42 0.00 -1.43 0.00 0.00 32.58 27.46 2kb2 s HIS 15 CO 0.00 -1.34 1.27 -0.35 -2.00 0.00 0.00 174.74 172.32 2kb2 n PRO 16 N 6.02 0.04 -0.08 -0.38 -0.04 -1.26 -2.72 135.00 136.57 2kb2 n PRO 16 Ca 0.11 0.47 -0.13 0.00 -0.04 0.00 0.00 63.50 63.91 2kb2 n PRO 16 Cb 0.47 -1.61 -0.08 0.00 -0.04 0.00 0.00 33.50 32.24 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 -1.70 2.46 -3.82 3.54 2.03 -1.26 -5.03 116.55 112.77 2kb2 n ASP 17 Ca 0.01 -0.04 -0.30 0.00 0.52 0.00 0.00 54.79 54.98 2kb2 n ASP 17 Cb 0.06 -0.31 0.23 0.00 -0.72 0.00 0.00 41.12 40.38 2kb2 n ASP 17 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 2kb2 s ARG 18 N -2.33 -0.93 0.98 -0.67 0.52 -1.10 -5.05 118.95 110.36 2kb2 s ARG 18 Ca -0.23 -0.19 -0.15 0.00 -0.52 0.00 0.00 55.73 54.64 2kb2 s ARG 18 Cb 0.06 -1.64 0.19 0.00 0.52 0.00 0.00 34.95 34.08 2kb2 s ARG 18 CO 0.37 -3.50 1.22 -1.25 0.02 0.00 0.00 175.30 172.17 2kb2 s PRO 19 N -5.55 0.56 1.15 3.54 0.05 -1.26 -4.90 135.00 128.59 2kb2 s PRO 19 Ca 0.72 -0.12 -0.14 0.00 0.05 0.00 0.00 61.00 61.51 2kb2 s PRO 19 Cb -0.08 -1.81 0.24 0.00 0.05 0.00 0.00 34.50 32.91 2kb2 s PRO 19 CO 0.55 -2.51 0.84 -2.30 0.05 0.00 0.00 177.00 173.63 2kb2 n PRO 20 N -3.90 -2.14 -3.42 0.56 -0.02 -1.26 -4.88 135.00 119.94 2kb2 n PRO 20 Ca 0.12 -0.59 -0.30 0.00 -2.02 0.00 0.00 63.50 60.71 2kb2 n PRO 20 Cb 0.60 -2.10 -0.04 0.00 -0.02 0.00 0.00 33.50 31.94 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 5.02 -1.42 -1.45 1.01 -1.26 -4.99 120.40 114.93 2kb2 s VAL 21 Ca 0.66 0.17 -0.07 0.00 0.00 0.00 0.00 61.98 62.73 2kb2 s VAL 21 Cb -0.23 -3.68 0.06 0.00 0.00 0.00 0.00 36.38 32.53 2kb2 s VAL 21 CO 0.65 -0.19 2.53 0.47 0.00 0.00 0.00 175.10 178.56 2kb2 n ASP 22 N -0.53 7.99 0.00 3.32 9.92 -1.26 -4.75 116.55 131.24 2kb2 n ASP 22 Ca -0.01 -2.96 0.00 0.00 -0.53 0.00 0.00 54.79 51.29 2kb2 n ASP 22 Cb 0.53 -1.44 0.00 0.00 -0.64 0.00 0.00 41.12 39.57 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 2.53 0.00 -0.12 0.64 4.77 -1.26 0.15 117.00 123.71 2kb2 n LEU 23 Ca 0.66 0.00 -0.21 0.00 -0.03 0.00 0.00 56.01 56.43 2kb2 n LEU 23 Cb 0.25 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.24 2kb2 n LEU 23 CO 0.75 0.00 -1.32 0.47 -1.33 0.00 0.00 177.39 175.96 2kb2 n ASP 24 N -0.69 1.99 0.10 -1.43 9.92 -1.26 -4.21 116.55 120.97 2kb2 n ASP 24 Ca 0.00 0.07 0.03 0.00 -0.53 0.00 0.00 54.79 54.36 2kb2 n ASP 24 Cb 0.00 -0.54 -0.01 0.00 -0.64 0.00 0.00 41.12 39.93 2kb2 n ASP 24 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2kb2 h ALA 25 N -0.40 0.66 -0.34 2.24 0.00 -0.38 -2.73 119.26 118.31 2kb2 h ALA 25 Ca -0.58 -0.52 -0.10 0.00 0.00 0.00 0.00 54.91 53.70 2kb2 h ALA 25 Cb 1.71 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.57 2kb2 h ALA 25 CO -0.22 0.62 -0.19 1.25 0.00 0.00 0.00 179.25 180.71 2kb2 h LEU 26 N 0.00 0.76 0.00 0.00 6.46 0.12 -2.84 115.31 119.81 2kb2 h LEU 26 Ca -0.07 -0.42 -0.20 0.00 -0.12 0.00 0.00 57.88 57.08 2kb2 h LEU 26 Cb 1.39 -0.21 -0.03 0.00 -0.73 0.00 0.00 40.66 41.08 2kb2 h LEU 26 CO 0.05 1.01 -1.16 1.62 -0.62 0.00 0.00 178.44 179.34 2kb2 h VAL 27 N 0.51 1.02 0.73 1.05 3.04 -1.73 -3.29 116.25 117.58 2kb2 h VAL 27 Ca 0.07 -2.63 -0.03 0.00 -1.01 0.00 0.00 66.70 63.10 2kb2 h VAL 27 Cb 0.74 2.45 -0.00 0.00 -2.01 0.00 0.00 31.29 32.46 2kb2 h VAL 27 CO 0.05 0.58 -0.43 -0.74 -1.01 0.00 0.00 177.57 176.02 2kb2 h HIS 28 N 0.00 -1.15 0.00 3.17 -0.00 -1.44 0.22 115.15 115.96 2kb2 h HIS 28 Ca -0.11 -0.01 -0.01 0.00 -0.00 0.00 0.00 60.37 60.24 2kb2 h HIS 28 Cb 1.70 0.41 -0.00 0.00 -0.00 0.00 0.00 27.41 29.51 2kb2 h HIS 28 CO 0.00 -0.66 -0.03 0.00 -0.00 0.00 0.00 177.93 177.24 2kb2 h ARG 29 N -1.09 0.00 0.13 5.26 -0.00 -1.67 -2.60 114.38 114.42 2kb2 h ARG 29 Ca -0.09 0.00 -0.01 0.00 -0.50 0.00 0.00 59.98 59.38 2kb2 h ARG 29 Cb 0.87 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.84 2kb2 h ARG 29 CO 0.10 0.03 -0.06 0.00 0.00 0.00 0.00 179.97 180.03 2kb2 h ALA 30 N 1.97 -0.24 -1.01 0.04 0.00 -1.47 -3.19 119.26 115.36 2kb2 h ALA 30 Ca -0.00 -0.04 0.25 0.00 0.00 0.00 0.00 54.91 55.12 2kb2 h ALA 30 Cb 0.12 0.07 -0.09 0.00 0.00 0.00 0.00 17.79 17.89 2kb2 h ALA 30 CO 0.00 -0.22 0.65 1.03 0.00 0.00 0.00 179.25 180.71 2kb2 h SER 31 N -0.74 0.44 0.21 0.00 0.87 -0.93 0.37 113.55 113.77 2kb2 h SER 31 Ca -0.02 0.07 -0.05 0.00 -1.23 0.00 0.00 61.79 60.56 2kb2 h SER 31 Cb 0.14 -0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.09 2kb2 h SER 31 CO 0.03 0.11 -0.23 -1.28 -0.53 0.00 0.00 176.83 174.93 2kb2 h SER 32 N 0.41 0.04 0.10 6.23 0.87 -1.57 0.05 113.55 119.67 2kb2 h SER 32 Ca 0.56 -0.01 -0.25 0.00 -1.23 0.00 0.00 61.79 60.86 2kb2 h SER 32 Cb 1.41 -0.01 -0.00 0.00 -0.44 0.00 0.00 62.40 63.36 2kb2 h SER 32 CO -0.26 0.28 -1.28 0.50 -0.53 0.00 0.00 176.83 175.54 2kb2 h LYS 33 N 0.04 0.21 -0.44 2.24 3.64 -0.34 -3.38 116.57 118.54 2kb2 h LYS 33 Ca 0.01 -0.36 -0.13 0.00 -1.27 0.00 0.00 60.65 58.89 2kb2 h LYS 33 Cb 0.44 0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 32.39 2kb2 h LYS 33 CO 0.03 1.17 -0.24 -0.91 -2.27 0.00 0.00 179.45 177.24 2kb2 h ASN 34 N -0.41 0.97 -0.01 4.20 4.21 -1.01 -2.70 115.58 120.83 2kb2 h ASN 34 Ca -0.28 -0.41 0.02 0.00 1.21 0.00 0.00 56.30 56.84 2kb2 h ASN 34 Cb 1.67 -0.27 -0.05 0.00 -1.12 0.00 0.00 38.32 38.55 2kb2 h ASN 34 CO 0.04 1.17 -0.51 0.25 -1.29 0.00 0.00 177.43 177.08 2kb2 h LEU 35 N 0.77 -1.59 -1.35 1.61 5.85 -1.12 0.24 115.31 119.73 2kb2 h LEU 35 Ca 0.09 0.18 -0.06 0.00 0.84 0.00 0.00 57.88 58.93 2kb2 h LEU 35 Cb 0.82 0.61 -0.01 0.00 0.37 0.00 0.00 40.66 42.44 2kb2 h LEU 35 CO 0.07 -0.50 -0.28 1.55 -0.34 0.00 0.00 178.44 178.94 2kb2 h PRO 36 N -0.63 0.00 0.00 5.25 0.13 -1.74 -2.54 132.00 132.47 2kb2 h PRO 36 Ca 0.01 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.11 2kb2 h PRO 36 Cb 0.69 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.81 2kb2 h PRO 36 CO -0.35 0.28 -0.15 -0.07 -0.23 0.00 0.00 178.00 177.48 2kb2 h LEU 37 N 0.00 0.00 0.00 1.56 4.07 -0.97 -3.46 115.31 116.51 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 0.64 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.38 2kb2 h LEU 37 CO 0.04 0.15 0.00 0.61 -1.08 0.00 0.00 178.44 178.15 2kb2 n GLY 38 N 0.28 0.74 3.88 0.83 0.00 0.55 -5.00 105.19 106.48 2kb2 n GLY 38 Ca 0.01 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.12 4.83 0.09 -0.61 1.01 0.50 -4.64 121.20 120.26 2kb2 s ILE 39 Ca 0.00 0.49 -0.11 0.00 0.00 0.00 0.00 60.65 61.03 2kb2 s ILE 39 Cb 0.00 -3.78 0.01 0.00 0.01 0.00 0.00 42.46 38.70 2kb2 s ILE 39 CO 0.00 -0.63 0.25 0.42 0.00 0.00 0.00 174.94 174.98 2kb2 s THR 40 N -2.50 0.12 -5.00 2.92 -4.23 -0.81 -4.02 115.64 102.12 2kb2 s THR 40 Ca 0.50 -0.96 0.00 0.00 -1.18 0.00 0.00 61.69 60.05 2kb2 s THR 40 Cb -0.10 -1.23 0.00 0.00 1.34 0.00 0.00 72.50 72.51 2kb2 s THR 40 CO 0.36 -0.53 0.00 0.61 -0.54 0.00 0.00 174.62 174.52 2kb2 n GLY 41 N 0.01 -0.52 3.29 3.99 0.00 0.31 0.11 105.19 112.38 2kb2 n GLY 41 Ca -0.16 -1.19 -0.12 0.00 0.00 0.00 0.00 46.02 44.56 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 -2.99 0.07 0.31 -0.61 2.07 -0.39 -3.68 121.20 115.98 2kb2 s ILE 42 Ca 0.00 -0.56 0.10 0.00 -1.41 0.00 0.00 60.65 58.78 2kb2 s ILE 42 Cb 0.00 -0.96 -0.05 0.00 0.13 0.00 0.00 42.46 41.57 2kb2 s ILE 42 CO 0.00 -0.31 -0.08 -0.76 -1.91 0.00 0.00 174.94 171.88 2kb2 s LEU 43 N -2.09 2.85 0.03 8.50 1.43 -0.36 -0.39 118.68 128.66 2kb2 s LEU 43 Ca -0.05 -0.97 -0.03 0.00 -1.03 0.00 0.00 54.13 52.05 2kb2 s LEU 43 Cb -0.01 -1.28 -0.02 0.00 0.03 0.00 0.00 46.19 44.92 2kb2 s LEU 43 CO -0.03 -0.09 0.04 -0.76 0.23 0.00 0.00 176.35 175.74 2kb2 s LEU 44 N -3.62 2.01 -0.14 1.79 1.02 0.15 0.52 118.68 120.41 2kb2 s LEU 44 Ca 0.32 -0.53 -0.09 0.00 0.02 0.00 0.00 54.13 53.85 2kb2 s LEU 44 Cb -0.03 0.39 0.05 0.00 0.02 0.00 0.00 46.19 46.62 2kb2 s LEU 44 CO 0.18 -0.43 0.34 0.12 0.02 0.00 0.00 176.35 176.58 2kb2 s PHE 45 N -2.19 -0.46 0.00 0.29 5.36 -0.66 -2.06 117.98 118.25 2kb2 s PHE 45 Ca -0.09 1.04 0.00 0.00 -0.96 0.00 0.00 56.93 56.92 2kb2 s PHE 45 Cb -0.04 0.16 0.00 0.00 -0.34 0.00 0.00 43.02 42.80 2kb2 s PHE 45 CO -0.03 -0.26 0.73 0.27 -1.46 0.00 0.00 175.22 174.46 2kb2 n ASN 46 N 3.83 1.42 0.00 6.13 0.23 -1.18 0.49 115.26 126.17 2kb2 n ASN 46 Ca -0.21 -1.49 0.00 0.00 -0.53 0.00 0.00 54.58 52.35 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 -0.24 0.53 0.00 4.83 0.00 -1.26 -4.77 105.19 104.28 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 -4.53 0.99 -0.00 -1.26 -4.91 117.00 107.29 2kb2 n LEU 48 Ca 0.00 0.00 -0.25 0.00 -0.00 0.00 0.00 56.01 55.76 2kb2 n LEU 48 Cb 0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 43.42 43.31 2kb2 n LEU 48 CO 0.00 0.00 -0.35 -1.10 -0.00 0.00 0.00 177.39 175.94 2kb2 s GLN 49 N -1.00 1.78 -0.26 1.96 -0.21 -1.26 -0.64 119.66 120.02 2kb2 s GLN 49 Ca 0.00 -1.94 -0.00 0.00 0.02 0.00 0.00 55.36 53.43 2kb2 s GLN 49 Cb 0.00 -1.53 0.08 0.00 1.00 0.00 0.00 33.01 32.56 2kb2 s GLN 49 CO 0.00 0.06 0.03 -0.06 -2.12 0.00 0.00 175.29 173.20 2kb2 s PHE 50 N -2.75 1.98 -0.22 0.91 0.08 -0.88 -3.13 117.98 113.97 2kb2 s PHE 50 Ca 0.33 -1.68 -0.16 0.00 0.12 0.00 0.00 56.93 55.53 2kb2 s PHE 50 Cb 0.05 -1.64 -0.04 0.00 -0.57 0.00 0.00 43.02 40.82 2kb2 s PHE 50 CO 0.16 -0.79 0.43 0.12 -0.10 0.00 0.00 175.22 175.03 2kb2 s PHE 51 N 1.53 3.35 -0.18 0.36 5.36 -0.88 -1.03 117.98 126.49 2kb2 s PHE 51 Ca 0.03 0.62 0.00 0.00 -0.96 0.00 0.00 56.93 56.62 2kb2 s PHE 51 Cb -0.18 -2.58 0.04 0.00 -0.34 0.00 0.00 43.02 39.97 2kb2 s PHE 51 CO -0.14 -0.08 -0.08 -1.14 -1.46 0.00 0.00 175.22 172.32 2kb2 s GLN 52 N 1.56 1.76 -0.53 10.12 0.74 0.56 0.34 119.66 134.21 2kb2 s GLN 52 Ca 0.20 -0.65 -0.22 0.00 0.05 0.00 0.00 55.36 54.73 2kb2 s GLN 52 Cb -0.15 -2.17 0.05 0.00 1.10 0.00 0.00 33.01 31.83 2kb2 s GLN 52 CO 0.09 -0.41 0.82 0.08 -0.55 0.00 0.00 175.29 175.31 2kb2 s VAL 53 N 1.52 4.58 -0.04 1.34 1.01 0.48 -1.63 120.40 127.67 2kb2 s VAL 53 Ca 0.00 0.02 -0.00 0.00 0.00 0.00 0.00 61.98 62.01 2kb2 s VAL 53 Cb -0.15 -4.43 -0.04 0.00 0.00 0.00 0.00 36.38 31.76 2kb2 s VAL 53 CO -0.08 -0.97 0.01 -0.22 0.00 0.00 0.00 175.10 173.84 2kb2 s LEU 54 N 3.43 3.60 0.16 3.92 2.96 0.67 -1.26 118.68 132.15 2kb2 s LEU 54 Ca 0.25 0.08 0.02 0.00 -0.22 0.00 0.00 54.13 54.26 2kb2 s LEU 54 Cb -0.15 -1.97 -0.05 0.00 0.50 0.00 0.00 46.19 44.53 2kb2 s LEU 54 CO 0.17 0.32 -0.03 -1.61 -1.32 0.00 0.00 176.35 173.88 2kb2 s GLU 55 N -1.30 1.05 0.00 1.98 2.02 0.29 -0.08 118.70 122.67 2kb2 s GLU 55 Ca 0.17 -1.48 0.00 0.00 0.02 0.00 0.00 54.97 53.68 2kb2 s GLU 55 Cb -0.11 -0.33 0.00 0.00 0.10 0.00 0.00 34.13 33.78 2kb2 s GLU 55 CO 0.07 -0.07 0.00 0.41 0.02 0.00 0.00 175.26 175.69 2kb2 n GLY 56 N -0.20 0.74 3.71 -1.39 0.00 0.29 -1.93 105.19 106.41 2kb2 n GLY 56 Ca -0.08 -2.22 -0.43 0.00 0.00 0.00 0.00 46.02 43.28 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 0.03 1.25 0.07 2.61 -2.24 -1.26 0.60 114.28 115.34 2kb2 n THR 57 Ca 0.00 -0.31 0.21 0.00 -2.27 0.00 0.00 64.05 61.68 2kb2 n THR 57 Cb 0.00 -1.68 0.72 0.00 -2.10 0.00 0.00 70.33 67.27 2kb2 n THR 57 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 2kb2 h GLU 58 N 3.99 0.00 -0.10 -0.78 4.81 -1.87 0.26 114.58 120.90 2kb2 h GLU 58 Ca -0.46 0.00 -0.20 0.00 -0.13 0.00 0.00 59.36 58.57 2kb2 h GLU 58 Cb 1.26 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.64 2kb2 h GLU 58 CO 0.73 0.00 -0.77 1.05 -0.73 0.00 0.00 179.01 179.30 2kb2 h GLU 59 N 0.00 0.54 -0.07 1.92 4.11 -1.99 -2.48 114.58 116.61 2kb2 h GLU 59 Ca 0.21 -0.45 -0.23 0.00 0.07 0.00 0.00 59.36 58.96 2kb2 h GLU 59 Cb 1.23 0.10 0.02 0.00 0.50 0.00 0.00 28.75 30.60 2kb2 h GLU 59 CO -0.00 1.08 -0.86 0.00 0.07 0.00 0.00 179.01 179.30 2kb2 h ALA 60 N 0.79 0.21 -0.38 1.06 0.00 -0.87 -2.98 119.26 117.08 2kb2 h ALA 60 Ca -0.04 -0.63 -0.00 0.00 0.00 0.00 0.00 54.91 54.23 2kb2 h ALA 60 Cb 1.37 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 19.16 2kb2 h ALA 60 CO 0.14 0.64 0.23 -0.07 0.00 0.00 0.00 179.25 180.19 2kb2 h LEU 61 N 0.41 0.46 0.74 0.00 3.38 -1.28 -0.27 115.31 118.75 2kb2 h LEU 61 Ca -0.09 -0.06 -0.03 0.00 0.09 0.00 0.00 57.88 57.79 2kb2 h LEU 61 Cb 1.51 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 42.14 2kb2 h LEU 61 CO 0.17 0.39 -0.45 -0.08 0.09 0.00 0.00 178.44 178.56 2kb2 h GLU 62 N 0.50 -1.07 -0.36 1.13 4.81 -1.50 0.16 114.58 118.24 2kb2 h GLU 62 Ca 0.14 0.07 0.05 0.00 -0.13 0.00 0.00 59.36 59.49 2kb2 h GLU 62 Cb 0.01 0.24 -0.05 0.00 0.63 0.00 0.00 28.75 29.59 2kb2 h GLU 62 CO -0.02 -0.71 0.07 0.77 -0.73 0.00 0.00 179.01 178.38 2kb2 h SER 63 N -1.11 0.00 0.57 1.04 0.02 -1.50 0.17 113.55 112.74 2kb2 h SER 63 Ca -0.10 0.06 -0.03 0.00 -0.84 0.00 0.00 61.79 60.89 2kb2 h SER 63 Cb 0.89 0.08 0.00 0.00 0.14 0.00 0.00 62.40 63.52 2kb2 h SER 63 CO 0.10 0.04 -0.28 0.25 -1.14 0.00 0.00 176.83 175.80 2kb2 h LEU 64 N 0.19 -0.68 -1.99 5.07 7.12 -0.96 0.19 115.31 124.25 2kb2 h LEU 64 Ca 0.17 0.03 0.30 0.00 0.13 0.00 0.00 57.88 58.51 2kb2 h LEU 64 Cb 0.19 0.18 -0.04 0.00 -0.53 0.00 0.00 40.66 40.46 2kb2 h LEU 64 CO -0.22 -0.47 0.76 0.15 -0.13 0.00 0.00 178.44 178.52 2kb2 h PHE 65 N -0.77 0.00 -0.00 1.25 3.57 -0.62 1.00 116.94 121.36 2kb2 h PHE 65 Ca -0.08 0.00 -0.17 0.00 3.53 0.00 0.00 57.97 61.25 2kb2 h PHE 65 Cb 0.60 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.32 2kb2 h PHE 65 CO 0.08 0.00 -0.79 1.03 -2.23 0.00 0.00 178.31 176.40 2kb2 h SER 66 N 0.00 0.07 0.57 0.41 0.87 -0.08 -2.77 113.55 112.63 2kb2 h SER 66 Ca 0.50 -0.06 -0.12 0.00 -1.23 0.00 0.00 61.79 60.88 2kb2 h SER 66 Cb 2.01 -0.02 -0.02 0.00 -0.44 0.00 0.00 62.40 63.93 2kb2 h SER 66 CO -0.01 0.83 -0.58 -0.33 -0.53 0.00 0.00 176.83 176.21 2kb2 h GLU 67 N 0.03 0.01 0.14 2.24 4.39 0.30 -3.19 114.58 118.52 2kb2 h GLU 67 Ca -0.02 -0.01 -0.01 0.00 0.34 0.00 0.00 59.36 59.67 2kb2 h GLU 67 Cb 1.38 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.03 2kb2 h GLU 67 CO 0.11 0.59 -0.07 0.82 -1.16 0.00 0.00 179.01 179.30 2kb2 h ILE 68 N 0.01 0.97 0.00 3.13 5.03 -0.88 -2.60 117.51 123.16 2kb2 h ILE 68 Ca -0.01 -0.51 0.00 0.00 -0.12 0.00 0.00 64.86 64.23 2kb2 h ILE 68 Cb 1.04 1.28 0.00 0.00 -3.03 0.00 0.00 36.82 36.11 2kb2 h ILE 68 CO 0.08 0.12 0.00 0.00 -0.68 0.00 0.00 178.15 177.67 2kb2 n GLN 69 N -5.07 0.02 -0.34 2.37 6.02 -1.07 -0.69 117.38 118.62 2kb2 n GLN 69 Ca -0.09 0.40 0.08 0.00 -0.01 0.00 0.00 57.00 57.39 2kb2 n GLN 69 Cb 0.19 -1.54 0.26 0.00 1.02 0.00 0.00 30.24 30.17 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 -1.57 3.23 -4.89 1.08 2.88 -0.98 -4.92 113.62 108.44 2kb2 n SER 70 Ca 0.01 -2.10 -0.32 0.00 -1.33 0.00 0.00 58.87 55.13 2kb2 n SER 70 Cb 0.08 -0.41 -0.05 0.00 -0.75 0.00 0.00 64.21 63.08 2kb2 n SER 70 CO 0.00 0.00 0.00 -1.81 -1.23 0.00 0.00 175.04 172.00 2kb2 s ASP 71 N -0.94 6.53 0.07 -3.46 1.01 0.13 -5.03 116.67 114.99 2kb2 s ASP 71 Ca 0.38 0.67 0.13 0.00 0.71 0.00 0.00 52.55 54.44 2kb2 s ASP 71 Cb 0.21 -2.12 -0.16 0.00 1.01 0.00 0.00 42.92 41.86 2kb2 s ASP 71 CO 0.24 0.05 0.95 1.55 0.21 0.00 0.00 175.17 178.17 2kb2 h PRO 72 N 2.93 0.00 0.00 8.23 0.13 -1.91 -3.42 132.00 137.96 2kb2 h PRO 72 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 2kb2 h PRO 72 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 2kb2 h PRO 72 CO 0.71 0.53 0.00 -2.13 -0.23 0.00 0.00 178.00 176.88 2kb2 n ARG 73 N -3.08 0.00 0.00 0.86 0.63 -1.26 -4.76 116.66 109.04 2kb2 n ARG 73 Ca -0.09 0.10 0.00 0.00 -0.92 0.00 0.00 57.85 56.95 2kb2 n ARG 73 Cb 0.92 -0.76 0.00 0.00 0.45 0.00 0.00 32.46 33.07 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 -0.37 -0.47 0.18 -0.14 1.44 -1.26 -3.98 115.22 110.63 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 -0.84 -1.40 1.85 -1.26 -4.68 116.66 110.33 2kb2 n ARG 75 Ca 0.00 0.00 -0.10 0.00 -1.00 0.00 0.00 57.85 56.75 2kb2 n ARG 75 Cb 0.00 0.00 -0.04 0.00 -1.05 0.00 0.00 32.46 31.37 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 -3.35 5.71 -4.61 2.89 2.03 -1.26 -4.81 116.55 113.15 2kb2 n ASP 76 Ca 0.00 -2.67 -0.43 0.00 0.52 0.00 0.00 54.79 52.21 2kb2 n ASP 76 Cb 0.00 -1.20 -0.03 0.00 -0.72 0.00 0.00 41.12 39.17 2kb2 n ASP 76 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 2kb2 s VAL 77 N -0.54 3.54 -0.03 5.18 0.11 -1.24 -3.77 120.40 123.65 2kb2 s VAL 77 Ca 0.31 0.56 0.06 0.00 -2.93 0.00 0.00 61.98 59.99 2kb2 s VAL 77 Cb 0.18 -3.68 -0.01 0.00 -1.53 0.00 0.00 36.38 31.34 2kb2 s VAL 77 CO -0.03 -0.40 -0.21 0.54 -3.33 0.00 0.00 175.10 171.67 2kb2 s VAL 78 N 6.40 1.72 -0.28 2.04 0.11 0.06 -4.90 120.40 125.56 2kb2 s VAL 78 Ca 0.77 -0.91 -0.28 0.00 -2.93 0.00 0.00 61.98 58.63 2kb2 s VAL 78 Cb -0.23 -1.45 -0.03 0.00 -1.53 0.00 0.00 36.38 33.15 2kb2 s VAL 78 CO 0.33 0.49 1.94 -0.70 -3.33 0.00 0.00 175.10 173.82 2kb2 s GLU 79 N -0.31 3.30 -0.04 1.54 2.12 -1.26 -1.64 118.70 122.42 2kb2 s GLU 79 Ca 0.03 1.67 0.02 0.00 0.36 0.00 0.00 54.97 57.04 2kb2 s GLU 79 Cb -0.10 -4.25 -0.25 0.00 0.26 0.00 0.00 34.13 29.79 2kb2 s GLU 79 CO 0.01 -1.90 0.69 -0.07 -0.54 0.00 0.00 175.26 173.46 2kb2 h LEU 80 N 14.00 0.25 -8.21 2.70 4.07 0.86 -3.48 115.31 125.50 2kb2 h LEU 80 Ca -0.36 -0.44 -0.06 0.00 0.08 0.00 0.00 57.88 57.10 2kb2 h LEU 80 Cb 1.19 -0.08 -0.07 0.00 1.08 0.00 0.00 40.66 42.78 2kb2 h LEU 80 CO 1.00 1.38 -0.02 -0.32 -1.08 0.00 0.00 178.44 179.40 2kb2 s MET 81 N -2.60 1.74 0.00 1.13 1.75 0.11 -4.89 119.30 116.53 2kb2 s MET 81 Ca -0.10 -1.31 0.00 0.00 -1.25 0.00 0.00 55.69 53.03 2kb2 s MET 81 Cb 0.07 0.51 0.00 0.00 2.84 0.00 0.00 34.83 38.25 2kb2 s MET 81 CO 0.82 -0.75 0.00 -2.13 -0.65 0.00 0.00 175.02 172.31 2kb2 n ARG 82 N -0.44 0.00 -4.35 4.11 0.63 -1.05 -0.88 116.66 114.67 2kb2 n ARG 82 Ca -0.02 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 -0.12 0.00 0.45 0.00 0.00 32.46 33.40 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 2.99 0.34 6.15 -1.08 -0.90 -4.89 116.67 119.29 2kb2 s ASP 83 Ca 0.00 -0.77 -0.28 0.00 -0.52 0.00 0.00 52.55 50.99 2kb2 s ASP 83 Cb 0.00 -0.19 -0.09 0.00 -1.46 0.00 0.00 42.92 41.17 2kb2 s ASP 83 CO 0.00 0.10 1.21 -0.31 0.52 0.00 0.00 175.17 176.69 2kb2 s TYR 84 N -1.34 3.18 0.37 -5.34 2.02 -1.26 0.41 117.35 115.39 2kb2 s TYR 84 Ca 0.13 1.53 0.06 0.00 -0.37 0.00 0.00 57.07 58.43 2kb2 s TYR 84 Cb -0.09 -3.49 -0.03 0.00 -0.40 0.00 0.00 41.96 37.96 2kb2 s TYR 84 CO 0.06 -1.36 0.23 -1.12 -1.57 0.00 0.00 175.55 171.80 2kb2 s SER 85 N -0.80 2.17 0.00 2.29 0.01 0.18 -4.82 113.70 112.73 2kb2 s SER 85 Ca 0.51 -1.76 0.00 0.00 1.31 0.00 0.00 55.95 56.00 2kb2 s SER 85 Cb -0.35 0.58 0.00 0.00 0.21 0.00 0.00 66.02 66.46 2kb2 s SER 85 CO 0.45 -1.04 0.13 0.00 0.41 0.00 0.00 173.24 173.19 2kb2 n ALA 86 N -0.75 0.87 -3.59 1.44 0.00 -1.26 -1.83 120.51 115.38 2kb2 n ALA 86 Ca 0.03 -0.13 -0.13 0.00 0.00 0.00 0.00 53.44 53.21 2kb2 n ALA 86 Cb 0.63 0.00 -0.06 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 -0.11 -0.55 0.21 0.00 1.13 -1.26 -4.86 117.35 111.91 2kb2 s TYR 87 Ca 0.00 1.14 -0.30 0.00 -1.41 0.00 0.00 57.07 56.50 2kb2 s TYR 87 Cb 0.00 0.38 -0.08 0.00 -1.10 0.00 0.00 41.96 41.16 2kb2 s TYR 87 CO 0.00 -0.40 0.95 1.03 -2.51 0.00 0.00 175.55 174.62 2kb2 s ARG 88 N -0.54 4.82 -0.08 -3.49 0.52 -1.26 -4.97 118.95 113.95 2kb2 s ARG 88 Ca -0.03 1.49 0.20 0.00 -0.52 0.00 0.00 55.73 56.87 2kb2 s ARG 88 Cb -0.02 -3.30 -0.28 0.00 0.52 0.00 0.00 34.95 31.87 2kb2 s ARG 88 CO 0.02 0.44 0.38 0.54 0.02 0.00 0.00 175.30 176.70 2kb2 n ARG 89 N 1.78 0.67 -1.26 3.54 5.12 -1.26 -4.30 116.66 120.94 2kb2 n ARG 89 Ca -0.01 -0.08 -0.17 0.00 -1.93 0.00 0.00 57.85 55.67 2kb2 n ARG 89 Cb 0.47 -1.56 0.13 0.00 -1.16 0.00 0.00 32.46 30.34 2kb2 n ARG 89 CO 0.00 0.00 0.00 1.19 -1.93 0.00 0.00 177.63 176.89 2kb2 n PHE 90 N -2.52 2.05 -0.04 -1.55 3.72 -1.26 -3.73 117.46 114.13 2kb2 n PHE 90 Ca -0.15 -2.06 -0.01 0.00 -0.05 0.00 0.00 57.45 55.17 2kb2 n PHE 90 Cb 0.82 -0.67 -0.01 0.00 -0.94 0.00 0.00 39.48 38.68 2kb2 n PHE 90 CO 0.00 0.00 0.00 1.25 -0.05 0.00 0.00 176.76 177.96 2kb2 h HIS 91 N 1.50 -0.18 0.00 1.38 -0.00 -1.96 -1.94 115.15 113.96 2kb2 h HIS 91 Ca 0.36 0.01 -0.41 0.00 -0.00 0.00 0.00 60.37 60.34 2kb2 h HIS 91 Cb 1.54 0.09 -0.02 0.00 -0.00 0.00 0.00 27.41 29.02 2kb2 h HIS 91 CO 1.11 -0.04 1.61 0.41 -0.00 0.00 0.00 177.93 181.02 2kb2 n GLY 92 N -1.03 3.53 0.00 5.26 0.00 -1.26 -3.37 105.19 108.32 2kb2 n GLY 92 Ca 0.00 -1.31 0.00 0.00 0.00 0.00 0.00 46.02 44.71 2kb2 n GLY 92 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2kb2 n THR 93 N 3.04 0.00 0.00 2.61 -1.04 -0.79 -5.06 114.28 113.04 2kb2 n THR 93 Ca 0.59 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.60 2kb2 n THR 93 Cb 0.58 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.09 2kb2 n THR 93 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2kb2 n GLY 94 N -1.07 0.19 3.17 3.41 0.00 -0.84 -4.54 105.19 105.52 2kb2 n GLY 94 Ca 0.00 -0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 2kb2 n GLY 94 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2kb2 s MET 95 N 0.00 0.33 -0.27 1.61 1.75 -1.24 0.11 119.30 121.59 2kb2 s MET 95 Ca 0.00 0.48 0.00 0.00 -1.25 0.00 0.00 55.69 54.92 2kb2 s MET 95 Cb 0.00 0.10 0.16 0.00 2.84 0.00 0.00 34.83 37.93 2kb2 s MET 95 CO 0.00 -0.08 0.44 0.50 -0.65 0.00 0.00 175.02 175.23 2kb2 s ARG 96 N 0.48 0.42 0.84 4.11 3.52 -1.24 -4.61 118.95 122.47 2kb2 s ARG 96 Ca -0.03 0.44 -0.11 0.00 -0.13 0.00 0.00 55.73 55.90 2kb2 s ARG 96 Cb -0.04 -0.21 0.10 0.00 -1.56 0.00 0.00 34.95 33.24 2kb2 s ARG 96 CO -0.03 -0.83 1.15 -1.50 -0.81 0.00 0.00 175.30 173.28 2kb2 s ILE 97 N 2.61 2.39 -0.40 4.11 -1.16 -1.26 -1.22 121.20 126.26 2kb2 s ILE 97 Ca 0.12 0.14 0.01 0.00 -0.51 0.00 0.00 60.65 60.42 2kb2 s ILE 97 Cb -0.14 -2.39 0.14 0.00 0.61 0.00 0.00 42.46 40.68 2kb2 s ILE 97 CO -0.23 -0.15 0.23 -0.22 -2.81 0.00 0.00 174.94 171.76 2kb2 s LEU 98 N -6.11 2.01 -0.89 8.50 2.96 0.18 -4.75 118.68 120.58 2kb2 s LEU 98 Ca 0.67 -2.45 -0.26 0.00 -0.22 0.00 0.00 54.13 51.87 2kb2 s LEU 98 Cb -0.23 -0.78 -0.13 0.00 0.50 0.00 0.00 46.19 45.55 2kb2 s LEU 98 CO 0.54 -0.28 2.24 -0.62 -1.32 0.00 0.00 176.35 176.91 2kb2 s ASP 99 N 0.64 4.10 0.67 3.68 -1.08 -1.26 -1.65 116.67 121.75 2kb2 s ASP 99 Ca 0.18 -0.37 0.39 0.00 -0.52 0.00 0.00 52.55 52.23 2kb2 s ASP 99 Cb -0.24 -2.56 2.12 0.00 -1.46 0.00 0.00 42.92 40.79 2kb2 s ASP 99 CO 0.00 -3.79 2.20 -0.07 0.52 0.00 0.00 175.17 174.03 2kb2 h LEU 100 N 21.40 0.00 -1.45 -1.34 3.38 -0.32 0.20 115.31 137.19 2kb2 h LEU 100 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 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 1.06 0.00 0.01 0.54 0.09 0.00 0.00 178.44 180.13 2kb2 n ARG 101 N -3.00 0.14 -0.07 1.13 1.74 -1.24 -1.65 116.66 113.71 2kb2 n ARG 101 Ca -0.03 0.64 -0.22 0.00 -0.77 0.00 0.00 57.85 57.47 2kb2 n ARG 101 Cb 0.19 -1.97 -0.12 0.00 -1.02 0.00 0.00 32.46 29.54 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 -2.27 2.36 0.00 0.55 4.77 0.71 -5.01 117.00 118.11 2kb2 n LEU 102 Ca -0.01 0.24 0.00 0.00 -0.03 0.00 0.00 56.01 56.20 2kb2 n LEU 102 Cb 0.04 -0.99 0.00 0.00 -2.33 0.00 0.00 43.42 40.14 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 -3.85 0.00 -2.82 -1.77 3.72 -0.66 -5.07 117.46 107.02 2kb2 n PHE 103 Ca -0.38 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.02 2kb2 n PHE 103 Cb 0.90 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.44 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 0.42 -1.08 0.28 -1.26 -4.84 120.64 114.16 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 0.10 0.00 3.84 2.02 -1.94 0.11 112.91 117.05 2kb2 h THR 105 Ca 0.00 -0.16 -0.08 0.00 0.77 0.00 0.00 66.41 66.95 2kb2 h THR 105 Cb 0.00 0.12 -0.01 0.00 -1.74 0.00 0.00 68.15 66.52 2kb2 h THR 105 CO 0.00 0.01 -0.37 0.44 0.37 0.00 0.00 175.52 175.97 2kb2 h ASP 106 N -1.21 0.00 -0.05 4.18 5.19 -1.98 -2.83 116.42 119.72 2kb2 h ASP 106 Ca -0.11 0.00 -0.03 0.00 -0.62 0.00 0.00 57.03 56.27 2kb2 h ASP 106 Cb 0.83 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 40.34 2kb2 h ASP 106 CO 0.18 0.36 -0.09 1.23 -3.12 0.00 0.00 179.24 177.80 2kb2 h GLY 107 N 3.64 0.16 0.82 2.75 0.00 -1.93 -2.13 103.07 106.38 2kb2 h GLY 107 Ca -0.00 -0.18 -0.03 0.00 0.00 0.00 0.00 47.33 47.11 2kb2 h GLY 107 CO 0.05 0.16 -0.01 0.00 0.00 0.00 0.00 176.54 176.74 2kb2 h ALA 108 N 0.49 0.27 -0.44 3.60 0.00 -0.86 -2.29 119.26 120.04 2kb2 h ALA 108 Ca 0.00 -0.22 0.08 0.00 0.00 0.00 0.00 54.91 54.78 2kb2 h ALA 108 Cb 0.65 -0.07 -0.07 0.00 0.00 0.00 0.00 17.79 18.29 2kb2 h ALA 108 CO 0.02 0.00 -0.02 1.25 0.00 0.00 0.00 179.25 180.51 2kb2 h LEU 109 N 0.11 -0.22 -1.06 0.00 5.85 -1.58 -0.02 115.31 118.40 2kb2 h LEU 109 Ca 0.06 0.11 0.07 0.00 0.84 0.00 0.00 57.88 58.95 2kb2 h LEU 109 Cb 0.42 0.20 -0.07 0.00 0.37 0.00 0.00 40.66 41.58 2kb2 h LEU 109 CO 0.01 -0.07 0.63 1.05 -0.34 0.00 0.00 178.44 179.72 2kb2 h GLU 110 N 0.09 1.09 -0.31 1.25 4.11 -1.28 -2.12 114.58 117.40 2kb2 h GLU 110 Ca 0.22 -0.07 0.06 0.00 0.07 0.00 0.00 59.36 59.64 2kb2 h GLU 110 Cb 0.32 -0.25 -0.08 0.00 0.50 0.00 0.00 28.75 29.24 2kb2 h GLU 110 CO -0.38 0.72 -0.41 0.93 0.07 0.00 0.00 179.01 179.94 2kb2 h GLU 111 N 1.12 -0.36 -0.54 1.06 4.39 -0.41 0.25 114.58 120.09 2kb2 h GLU 111 Ca 0.42 0.02 0.10 0.00 0.34 0.00 0.00 59.36 60.25 2kb2 h GLU 111 Cb 0.20 0.08 -0.11 0.00 -0.10 0.00 0.00 28.75 28.82 2kb2 h GLU 111 CO -0.17 -0.24 -0.28 0.82 -1.16 0.00 0.00 179.01 177.98 2kb2 h ILE 112 N -0.37 0.25 -0.09 3.13 5.03 -1.09 0.37 117.51 124.73 2kb2 h ILE 112 Ca 0.12 0.00 0.03 0.00 -0.12 0.00 0.00 64.86 64.89 2kb2 h ILE 112 Cb 0.59 0.25 -0.00 0.00 -3.03 0.00 0.00 36.82 34.62 2kb2 h ILE 112 CO -0.51 0.00 0.07 -0.07 -0.68 0.00 0.00 178.15 176.96 2kb2 h LEU 113 N -0.14 0.00 -0.96 1.44 -0.00 -0.84 0.60 115.31 115.40 2kb2 h LEU 113 Ca 0.23 0.00 -0.09 0.00 -0.00 0.00 0.00 57.88 58.02 2kb2 h LEU 113 Cb 0.52 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.17 2kb2 h LEU 113 CO -0.63 0.00 -0.21 0.03 -0.00 0.00 0.00 178.44 177.63 2kb2 h ARG 114 N 0.00 0.51 -0.05 1.13 2.47 0.30 -3.20 114.38 115.54 2kb2 h ARG 114 Ca 0.04 -0.18 0.00 0.00 -1.26 0.00 0.00 59.98 58.59 2kb2 h ARG 114 Cb 0.18 -0.04 0.00 0.00 -1.65 0.00 0.00 29.97 28.46 2kb2 h ARG 114 CO -0.00 0.69 0.00 1.97 0.56 0.00 0.00 179.97 183.19 2kb2 n PHE 115 N -4.14 0.06 -4.38 3.04 1.16 -0.86 -5.02 117.46 107.32 2kb2 n PHE 115 Ca -0.00 -0.27 -0.19 0.00 -1.87 0.00 0.00 57.45 55.11 2kb2 n PHE 115 Cb 0.38 -0.02 -0.10 0.00 -1.61 0.00 0.00 39.48 38.13 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 -0.65 2.46 -0.33 5.98 0.15 0.20 -4.94 113.70 116.57 2kb2 s SER 116 Ca 0.04 -1.14 -0.01 0.00 0.70 0.00 0.00 55.95 55.54 2kb2 s SER 116 Cb 0.03 -0.11 0.11 0.00 -1.71 0.00 0.00 66.02 64.33 2kb2 s SER 116 CO 0.04 -0.34 0.14 0.42 1.20 0.00 0.00 173.24 174.70 2kb2 s THR 117 N -3.11 0.56 -0.78 6.45 -4.23 -1.24 -4.52 115.64 108.76 2kb2 s THR 117 Ca 0.27 -1.42 -0.26 0.00 -1.18 0.00 0.00 61.69 59.10 2kb2 s THR 117 Cb 0.03 -1.43 -0.13 0.00 1.34 0.00 0.00 72.50 72.31 2kb2 s THR 117 CO 0.09 -0.77 2.39 -0.36 -0.54 0.00 0.00 174.62 175.44 2kb2 s PHE 118 N 1.50 1.15 -1.26 3.99 0.40 -1.26 -4.68 117.98 117.82 2kb2 s PHE 118 Ca 0.12 1.93 0.25 0.00 -0.60 0.00 0.00 56.93 58.63 2kb2 s PHE 118 Cb -0.19 -3.46 0.47 0.00 0.51 0.00 0.00 43.02 40.35 2kb2 s PHE 118 CO -0.21 -1.62 1.38 0.41 0.70 0.00 0.00 175.22 175.88 2kb2 n GLY 119 N 6.78 -0.98 3.50 4.36 0.00 -1.26 -4.94 105.19 112.64 2kb2 n GLY 119 Ca 0.46 -0.41 -0.29 0.00 0.00 0.00 0.00 46.02 45.78 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 -1.19 0.00 0.00 1.61 0.24 -1.26 -4.95 118.33 112.78 2kb2 n VAL 120 Ca 0.07 -0.38 0.00 0.00 -2.04 0.00 0.00 64.34 61.99 2kb2 n VAL 120 Cb 0.34 -0.99 0.00 0.00 -1.47 0.00 0.00 33.84 31.72 2kb2 n VAL 120 CO 0.00 0.00 0.00 0.41 -2.14 0.00 0.00 176.83 175.10 2kb2 n THR 121 N -4.89 0.00 -3.72 3.34 -1.04 -1.26 -4.76 114.28 101.95 2kb2 n THR 121 Ca 0.04 1.40 -0.14 0.00 -2.04 0.00 0.00 64.05 63.32 2kb2 n THR 121 Cb 0.54 -2.17 -0.14 0.00 -1.82 0.00 0.00 70.33 66.74 2kb2 n THR 121 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 2kb2 s GLU 122 N -2.61 0.12 0.09 -2.82 2.02 -1.26 -5.01 118.70 109.23 2kb2 s GLU 122 Ca 0.00 0.47 0.11 0.00 0.02 0.00 0.00 54.97 55.57 2kb2 s GLU 122 Cb 0.00 -0.17 0.50 0.00 0.10 0.00 0.00 34.13 34.56 2kb2 s GLU 122 CO 0.00 -0.20 1.33 -0.35 0.02 0.00 0.00 175.26 176.06 2kb2 n PRO 123 N 4.49 0.05 0.00 0.39 -0.04 -1.26 -2.53 135.00 136.09 2kb2 n PRO 123 Ca -0.21 0.44 0.00 0.00 -0.04 0.00 0.00 63.50 63.69 2kb2 n PRO 123 Cb 0.52 -1.62 0.00 0.00 -0.04 0.00 0.00 33.50 32.35 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 -1.72 0.00 1.64 0.52 0.31 -1.26 -3.36 118.33 114.47 2kb2 n VAL 124 Ca 0.01 1.03 0.11 0.00 -0.01 0.00 0.00 64.34 65.48 2kb2 n VAL 124 Cb 0.08 -2.03 0.66 0.00 -0.91 0.00 0.00 33.84 31.65 2kb2 n VAL 124 CO 0.00 0.00 0.00 -0.46 -1.32 0.00 0.00 176.83 175.05 2kb2 n ASN 125 N -0.58 0.00 -4.55 4.52 0.23 -1.24 -4.64 115.26 109.00 2kb2 n ASN 125 Ca 0.00 -0.95 -0.44 0.00 -0.53 0.00 0.00 54.58 52.66 2kb2 n ASN 125 Cb 0.00 0.00 -0.04 0.00 -2.08 0.00 0.00 39.78 37.66 2kb2 n ASN 125 CO 0.00 0.00 0.00 -0.67 -0.93 0.00 0.00 177.26 175.66 2kb2 n ASP 126 N -0.92 2.84 -0.27 0.53 2.03 -1.05 -4.80 116.55 114.90 2kb2 n ASP 126 Ca 0.17 0.19 0.33 0.00 0.52 0.00 0.00 54.79 56.00 2kb2 n ASP 126 Cb 0.08 -1.48 0.74 0.00 -0.72 0.00 0.00 41.12 39.74 2kb2 n ASP 126 CO 0.00 0.00 0.00 0.03 -1.92 0.00 0.00 177.20 175.31 2kb2 h ARG 127 N 14.79 0.00 0.15 -0.67 2.47 -1.90 -0.45 114.38 128.78 2kb2 h ARG 127 Ca -0.35 0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 58.36 2kb2 h ARG 127 Cb 1.26 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.59 2kb2 h ARG 127 CO 1.00 0.00 -0.07 1.98 0.56 0.00 0.00 179.97 183.43 2kb2 h MET 128 N 0.00 -0.20 -0.22 0.04 1.85 -1.94 -3.29 114.93 111.18 2kb2 h MET 128 Ca 0.52 0.01 0.06 0.00 -0.61 0.00 0.00 59.70 59.69 2kb2 h MET 128 Cb 2.17 0.05 -0.01 0.00 0.43 0.00 0.00 31.60 34.24 2kb2 h MET 128 CO -0.01 0.14 0.16 0.35 -0.40 0.00 0.00 176.91 177.15 2kb2 h PHE 129 N -0.98 0.00 -0.79 1.39 3.57 -1.52 0.15 116.94 118.75 2kb2 h PHE 129 Ca -0.02 0.00 0.10 0.00 3.53 0.00 0.00 57.97 61.58 2kb2 h PHE 129 Cb 0.42 0.00 -0.07 0.00 2.79 0.00 0.00 35.95 39.09 2kb2 h PHE 129 CO 0.07 0.00 0.44 0.00 -2.23 0.00 0.00 178.31 176.59 2kb2 h ARG 130 N 0.00 0.71 0.00 1.11 2.47 -1.20 0.22 114.38 117.69 2kb2 h ARG 130 Ca 0.10 -0.04 -0.05 0.00 -1.26 0.00 0.00 59.98 58.73 2kb2 h ARG 130 Cb 0.41 -0.16 -0.01 0.00 -1.65 0.00 0.00 29.97 28.57 2kb2 h ARG 130 CO -0.00 0.47 -0.27 -0.07 0.56 0.00 0.00 179.97 180.65 2kb2 h LEU 131 N 0.73 0.00 -0.74 3.04 3.38 -1.26 -3.06 115.31 117.40 2kb2 h LEU 131 Ca 0.39 -0.84 0.09 0.00 0.09 0.00 0.00 57.88 57.61 2kb2 h LEU 131 Cb 0.38 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 41.02 2kb2 h LEU 131 CO -0.26 1.08 -0.51 0.25 0.09 0.00 0.00 178.44 179.10 2kb2 h LEU 132 N -1.00 -1.79 -1.01 1.67 5.85 -0.56 0.32 115.31 118.80 2kb2 h LEU 132 Ca -0.07 0.28 -0.01 0.00 0.84 0.00 0.00 57.88 58.92 2kb2 h LEU 132 Cb 1.01 0.80 -0.00 0.00 0.37 0.00 0.00 40.66 42.84 2kb2 h LEU 132 CO -0.04 -0.31 -0.05 0.77 -0.34 0.00 0.00 178.44 178.46 2kb2 h SER 133 N -0.16 0.00 0.75 1.25 4.64 -1.13 -1.84 113.55 117.06 2kb2 h SER 133 Ca 0.17 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 61.35 2kb2 h SER 133 Cb 0.53 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.59 2kb2 h SER 133 CO -0.79 0.05 -0.70 0.00 -0.87 0.00 0.00 176.83 174.52 2kb2 h ALA 134 N 1.95 0.81 0.08 5.18 0.00 -0.42 0.18 119.26 127.03 2kb2 h ALA 134 Ca -0.00 -0.64 -0.29 0.00 0.00 0.00 0.00 54.91 53.99 2kb2 h ALA 134 Cb 0.69 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 2kb2 h ALA 134 CO 0.01 0.88 -1.46 0.35 0.00 0.00 0.00 179.25 179.02 2kb2 h PHE 135 N 0.00 0.29 -0.14 0.00 3.57 -0.46 0.21 116.94 120.41 2kb2 h PHE 135 Ca -0.01 -0.21 -0.12 0.00 3.53 0.00 0.00 57.97 61.16 2kb2 h PHE 135 Cb 1.27 -0.01 -0.01 0.00 2.79 0.00 0.00 35.95 39.98 2kb2 h PHE 135 CO 0.00 1.25 -0.44 0.82 -2.23 0.00 0.00 178.31 177.71 2kb2 h ILE 136 N 0.04 1.32 0.00 1.41 5.03 -1.27 0.15 117.51 124.19 2kb2 h ILE 136 Ca -0.21 -1.61 -0.03 0.00 -0.12 0.00 0.00 64.86 62.89 2kb2 h ILE 136 Cb 1.97 1.69 -0.01 0.00 -3.03 0.00 0.00 36.82 37.44 2kb2 h ILE 136 CO 0.14 0.49 -0.50 0.00 -0.68 0.00 0.00 178.15 177.60 2kb2 h ALA 137 N 1.26 0.04 0.00 1.87 0.00 -0.69 -3.33 119.26 118.40 2kb2 h ALA 137 Ca 0.02 -0.51 -0.13 0.00 0.00 0.00 0.00 54.91 54.29 2kb2 h ALA 137 Cb 0.89 0.42 -0.02 0.00 0.00 0.00 0.00 17.79 19.07 2kb2 h ALA 137 CO 0.07 0.41 -2.10 -3.47 0.00 0.00 0.00 179.25 174.16 2kb2 n ASP 138 N -4.62 0.19 0.31 0.00 -0.08 0.68 -4.36 116.55 108.66 2kb2 n ASP 138 Ca -0.10 0.00 0.13 0.00 -1.51 0.00 0.00 54.79 53.31 2kb2 n ASP 138 Cb 0.28 1.60 0.69 0.00 2.34 0.00 0.00 41.12 46.04 2kb2 n ASP 138 CO 0.00 0.00 0.00 1.23 0.12 0.00 0.00 177.20 178.55 2kb2 h GLY 139 N 3.85 0.00 -4.37 0.27 0.00 0.11 -0.73 103.07 102.20 2kb2 h GLY 139 Ca -0.19 0.00 -0.60 0.00 0.00 0.00 0.00 47.33 46.54 2kb2 h GLY 139 CO 0.01 0.00 -0.58 0.61 0.00 0.00 0.00 176.54 176.58 2kb2 n GLY 140 N -1.25 6.06 3.39 4.60 0.00 -1.21 -4.83 105.19 111.95 2kb2 n GLY 140 Ca -0.02 -2.72 -0.45 0.00 0.00 0.00 0.00 46.02 42.84 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 -3.60 4.05 0.41 1.61 1.81 -0.28 -5.03 118.95 117.92 2kb2 s ARG 141 Ca 0.49 -2.79 -0.23 0.00 -1.72 0.00 0.00 55.73 51.48 2kb2 s ARG 141 Cb 0.41 -4.75 -0.12 0.00 -0.45 0.00 0.00 34.95 30.04 2kb2 s ARG 141 CO -0.15 -1.47 0.78 0.66 -0.68 0.00 0.00 175.30 174.44 2kb2 n TYR 142 N 4.20 0.35 -0.02 -0.53 4.01 -1.26 -4.92 117.16 118.99 2kb2 n TYR 142 Ca 0.27 0.60 0.08 0.00 -0.16 0.00 0.00 57.90 58.69 2kb2 n TYR 142 Cb 0.42 -2.11 -0.16 0.00 -0.31 0.00 0.00 39.34 37.19 2kb2 n TYR 142 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2kb2 h LEU 144 N 0.00 -0.69 -9.93 0.00 4.07 -2.04 -3.43 115.31 103.29 2kb2 h LEU 144 Ca -0.05 0.02 -0.54 0.00 0.08 0.00 0.00 57.88 57.40 2kb2 h LEU 144 Cb 1.05 0.18 0.10 0.00 1.08 0.00 0.00 40.66 43.07 2kb2 h LEU 144 CO 0.00 -0.49 0.77 -2.16 -1.08 0.00 0.00 178.44 175.48 2kb2 s PRO 145 N -6.07 4.14 0.11 1.13 0.04 -1.26 -4.99 135.00 128.10 2kb2 s PRO 145 Ca -0.17 2.53 -0.23 0.00 0.04 0.00 0.00 61.00 63.17 2kb2 s PRO 145 Cb 0.04 -2.99 -0.07 0.00 0.04 0.00 0.00 34.50 31.52 2kb2 s PRO 145 CO 0.62 -0.49 0.68 -1.21 0.04 0.00 0.00 177.00 176.64 2kb2 s GLU 146 N -1.96 4.40 -1.36 4.56 0.41 -1.26 -4.99 118.70 118.50 2kb2 s GLU 146 Ca 0.53 0.96 -0.16 0.00 -0.41 0.00 0.00 54.97 55.88 2kb2 s GLU 146 Cb -0.46 -3.26 0.06 0.00 -1.78 0.00 0.00 34.13 28.69 2kb2 s GLU 146 CO 0.61 0.58 1.94 -0.35 -0.49 0.00 0.00 175.26 177.55 2kb2 n PRO 147 N 1.76 3.04 0.00 0.39 -0.04 -1.26 -5.22 135.00 133.68 2kb2 n PRO 147 Ca -0.07 -2.99 0.00 0.00 -0.04 0.00 0.00 63.50 60.40 2kb2 n PRO 147 Cb 0.50 -3.41 0.00 0.00 -0.04 0.00 0.00 33.50 30.54 2kb2 n PRO 147 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35