#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kb2 s GLU 2 N 0.00 3.08 0.04 1.61 2.12 -1.26 -5.06 118.70 119.23 2kb2 s GLU 2 Ca 0.00 -0.85 0.01 0.00 0.36 0.00 0.00 54.97 54.49 2kb2 s GLU 2 Cb 0.00 -4.00 -0.04 0.00 0.26 0.00 0.00 34.13 30.35 2kb2 s GLU 2 CO 0.00 -0.91 0.08 0.12 -0.54 0.00 0.00 175.26 174.01 2kb2 s PHE 3 N 2.12 3.23 1.01 5.30 5.36 -1.26 -5.10 117.98 128.64 2kb2 s PHE 3 Ca 0.11 0.14 -0.11 0.00 -0.96 0.00 0.00 56.93 56.10 2kb2 s PHE 3 Cb -0.18 -1.68 0.20 0.00 -0.34 0.00 0.00 43.02 41.02 2kb2 s PHE 3 CO 0.12 0.53 1.09 0.00 -1.46 0.00 0.00 175.22 175.51 2kb2 s MET 4 N -2.06 0.28 0.74 10.12 0.23 -1.26 -4.96 119.30 122.40 2kb2 s MET 4 Ca 0.26 1.16 -0.06 0.00 -1.03 0.00 0.00 55.69 56.02 2kb2 s MET 4 Cb -0.12 -1.67 0.10 0.00 -1.53 0.00 0.00 34.83 31.61 2kb2 s MET 4 CO 0.18 -3.01 1.05 -1.17 -2.03 0.00 0.00 175.02 170.04 2kb2 s LEU 5 N -6.79 2.86 0.09 0.18 2.96 -0.52 -4.45 118.68 113.02 2kb2 s LEU 5 Ca 0.67 0.22 -0.23 0.00 -0.22 0.00 0.00 54.13 54.57 2kb2 s LEU 5 Cb -0.23 -2.71 0.06 0.00 0.50 0.00 0.00 46.19 43.81 2kb2 s LEU 5 CO 0.60 -1.82 0.56 -0.89 -1.32 0.00 0.00 176.35 173.48 2kb2 s THR 6 N -3.30 0.02 -0.32 3.68 2.01 0.15 -0.62 115.64 117.25 2kb2 s THR 6 Ca 0.64 -0.16 0.02 0.00 0.31 0.00 0.00 61.69 62.50 2kb2 s THR 6 Cb -0.08 -1.01 0.10 0.00 0.01 0.00 0.00 72.50 71.51 2kb2 s THR 6 CO 0.46 -0.09 0.06 -0.89 -0.69 0.00 0.00 174.62 173.47 2kb2 s THR 7 N -3.00 1.65 -0.03 -0.82 2.01 0.11 0.69 115.64 116.25 2kb2 s THR 7 Ca -0.02 -1.86 -0.14 0.00 0.31 0.00 0.00 61.69 59.97 2kb2 s THR 7 Cb -0.00 -2.20 -0.05 0.00 0.01 0.00 0.00 72.50 70.26 2kb2 s THR 7 CO -0.06 -0.58 0.38 -0.22 -0.69 0.00 0.00 174.62 173.44 2kb2 s LEU 8 N 1.23 4.43 -0.00 4.42 0.20 0.18 -2.07 118.68 127.08 2kb2 s LEU 8 Ca 0.09 0.87 0.01 0.00 0.69 0.00 0.00 54.13 55.79 2kb2 s LEU 8 Cb -0.18 -2.53 -0.00 0.00 -0.43 0.00 0.00 46.19 43.05 2kb2 s LEU 8 CO -0.15 0.29 -0.03 -0.63 -0.29 0.00 0.00 176.35 175.54 2kb2 s ILE 9 N -0.81 0.27 0.19 6.68 1.01 -0.67 0.10 121.20 127.96 2kb2 s ILE 9 Ca 0.22 -0.14 -0.07 0.00 0.00 0.00 0.00 60.65 60.66 2kb2 s ILE 9 Cb -0.16 -0.23 -0.02 0.00 0.01 0.00 0.00 42.46 42.06 2kb2 s ILE 9 CO 0.11 0.08 0.27 -0.72 0.00 0.00 0.00 174.94 174.68 2kb2 s TYR 10 N -0.07 0.62 -0.12 3.97 -0.85 -0.89 0.18 117.35 120.20 2kb2 s TYR 10 Ca 0.01 -0.95 -0.08 0.00 -0.52 0.00 0.00 57.07 55.53 2kb2 s TYR 10 Cb -0.01 -0.16 0.04 0.00 0.38 0.00 0.00 41.96 42.20 2kb2 s TYR 10 CO -0.00 -0.75 0.29 -0.98 -1.52 0.00 0.00 175.55 172.59 2kb2 s ARG 11 N -4.04 0.30 0.00 -3.49 1.70 -0.84 -1.02 118.95 111.56 2kb2 s ARG 11 Ca 0.25 0.52 0.00 0.00 -0.47 0.00 0.00 55.73 56.02 2kb2 s ARG 11 Cb 0.04 0.02 0.00 0.00 -0.57 0.00 0.00 34.95 34.44 2kb2 s ARG 11 CO 0.05 -0.11 0.00 -1.13 -1.08 0.00 0.00 175.30 173.04 2kb2 n SER 12 N 3.66 0.80 0.00 -2.89 3.41 0.34 -0.75 113.62 118.19 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 0.56 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.51 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 1.88 -1.81 4.33 6.02 -1.26 -2.13 117.38 124.41 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 -2.98 5.09 3.14 -0.25 -3.97 118.33 119.36 2kb2 n VAL 14 Ca 0.00 -0.05 -0.44 0.00 -2.96 0.00 0.00 64.34 60.89 2kb2 n VAL 14 Cb 0.00 0.08 -0.03 0.00 -1.06 0.00 0.00 33.84 32.82 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 -4.75 3.00 -0.10 1.45 0.09 -1.26 -4.78 115.29 108.95 2kb2 s HIS 15 Ca 0.03 -1.08 0.22 0.00 -0.00 0.00 0.00 55.06 54.23 2kb2 s HIS 15 Cb -0.00 -4.18 1.21 0.00 -0.00 0.00 0.00 32.58 29.61 2kb2 s HIS 15 CO 0.00 -1.45 1.67 -1.00 -0.00 0.00 0.00 174.74 173.96 2kb2 h PRO 16 N 9.07 0.00 0.00 8.40 0.13 -1.92 -2.58 132.00 145.10 2kb2 h PRO 16 Ca -0.09 0.00 -0.27 0.00 -0.87 0.00 0.00 66.00 64.77 2kb2 h PRO 16 Cb 1.06 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.14 2kb2 h PRO 16 CO 1.10 0.00 -2.02 -3.47 -0.23 0.00 0.00 178.00 173.38 2kb2 n ASP 17 N -2.30 2.33 -4.88 1.44 2.03 -1.26 -5.02 116.55 108.88 2kb2 n ASP 17 Ca -0.01 -0.07 -0.29 0.00 0.52 0.00 0.00 54.79 54.93 2kb2 n ASP 17 Cb 0.08 -0.01 0.09 0.00 -0.72 0.00 0.00 41.12 40.55 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 -2.36 2.02 1.16 -0.67 0.52 -0.97 -5.06 118.95 113.59 2kb2 s ARG 18 Ca -0.20 0.19 -0.15 0.00 -0.52 0.00 0.00 55.73 55.05 2kb2 s ARG 18 Cb 0.06 -1.95 0.27 0.00 0.52 0.00 0.00 34.95 33.85 2kb2 s ARG 18 CO 0.46 -1.57 1.04 -1.25 0.02 0.00 0.00 175.30 174.00 2kb2 s PRO 19 N -5.51 -0.88 1.17 3.54 0.04 -1.26 -4.82 135.00 127.28 2kb2 s PRO 19 Ca 0.62 0.50 -0.13 0.00 0.04 0.00 0.00 61.00 62.02 2kb2 s PRO 19 Cb -0.11 -1.59 0.27 0.00 0.04 0.00 0.00 34.50 33.11 2kb2 s PRO 19 CO 0.50 -3.61 0.90 -2.30 0.04 0.00 0.00 177.00 172.53 2kb2 n PRO 20 N -4.79 -2.40 -3.33 0.56 -0.02 -1.26 -4.86 135.00 118.91 2kb2 n PRO 20 Ca 0.06 -0.67 -0.28 0.00 -2.02 0.00 0.00 63.50 60.58 2kb2 n PRO 20 Cb 0.57 -2.11 -0.03 0.00 -0.02 0.00 0.00 33.50 31.90 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 -2.38 5.03 -1.41 -1.45 1.01 -1.26 -4.98 120.40 114.95 2kb2 s VAL 21 Ca 0.67 0.02 -0.08 0.00 0.00 0.00 0.00 61.98 62.59 2kb2 s VAL 21 Cb -0.24 -3.74 -0.01 0.00 0.00 0.00 0.00 36.38 32.38 2kb2 s VAL 21 CO 0.65 -0.35 2.77 0.47 0.00 0.00 0.00 175.10 178.64 2kb2 n ASP 22 N -1.01 8.30 0.00 3.32 8.00 -1.26 -4.73 116.55 129.17 2kb2 n ASP 22 Ca -0.02 -2.80 0.00 0.00 0.71 0.00 0.00 54.79 52.68 2kb2 n ASP 22 Cb 0.54 -1.47 0.00 0.00 -0.02 0.00 0.00 41.12 40.17 2kb2 n ASP 22 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2kb2 n LEU 23 N 2.75 0.00 -0.11 0.64 4.77 -1.26 0.15 117.00 123.93 2kb2 n LEU 23 Ca 0.70 0.00 -0.19 0.00 -0.03 0.00 0.00 56.01 56.49 2kb2 n LEU 23 Cb 0.27 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.27 2kb2 n LEU 23 CO 0.75 0.00 -1.26 -0.67 -1.33 0.00 0.00 177.39 174.88 2kb2 n ASP 24 N -0.67 2.06 0.10 -1.43 -0.08 -1.26 -4.20 116.55 111.06 2kb2 n ASP 24 Ca 0.00 0.02 0.03 0.00 -1.51 0.00 0.00 54.79 53.33 2kb2 n ASP 24 Cb 0.00 -0.47 -0.01 0.00 2.34 0.00 0.00 41.12 42.97 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 -0.30 0.66 -0.28 -1.67 0.00 -0.57 -2.76 119.26 114.34 2kb2 h ALA 25 Ca -0.54 -0.55 -0.10 0.00 0.00 0.00 0.00 54.91 53.72 2kb2 h ALA 25 Cb 1.69 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.54 2kb2 h ALA 25 CO -0.18 0.67 -0.21 1.25 0.00 0.00 0.00 179.25 180.78 2kb2 h LEU 26 N 0.00 0.67 0.02 0.00 6.46 0.11 -2.87 115.31 119.70 2kb2 h LEU 26 Ca -0.06 -0.45 -0.26 0.00 -0.12 0.00 0.00 57.88 56.99 2kb2 h LEU 26 Cb 1.42 -0.19 -0.03 0.00 -0.73 0.00 0.00 40.66 41.13 2kb2 h LEU 26 CO 0.05 0.97 -1.35 1.62 -0.62 0.00 0.00 178.44 179.12 2kb2 h VAL 27 N 0.37 1.31 0.54 1.05 3.04 -1.73 -3.28 116.25 117.55 2kb2 h VAL 27 Ca 0.05 -3.06 -0.02 0.00 -1.01 0.00 0.00 66.70 62.67 2kb2 h VAL 27 Cb 0.76 2.68 -0.01 0.00 -2.01 0.00 0.00 31.29 32.71 2kb2 h VAL 27 CO 0.06 0.78 -0.37 -0.74 -1.01 0.00 0.00 177.57 176.28 2kb2 h HIS 28 N 0.01 -0.99 0.00 3.17 -0.00 -1.50 0.37 115.15 116.21 2kb2 h HIS 28 Ca -0.15 -0.01 -0.00 0.00 -0.00 0.00 0.00 60.37 60.21 2kb2 h HIS 28 Cb 1.90 0.36 -0.00 0.00 -0.00 0.00 0.00 27.41 29.67 2kb2 h HIS 28 CO 0.01 -0.55 -0.02 0.00 -0.00 0.00 0.00 177.93 177.37 2kb2 h ARG 29 N -0.88 0.00 0.06 5.26 -0.00 -1.67 -2.66 114.38 114.49 2kb2 h ARG 29 Ca -0.06 0.00 -0.00 0.00 -0.50 0.00 0.00 59.98 59.42 2kb2 h ARG 29 Cb 0.73 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.70 2kb2 h ARG 29 CO 0.04 0.02 -0.03 0.00 0.00 0.00 0.00 179.97 180.00 2kb2 h ALA 30 N 1.98 -0.09 -0.81 0.04 0.00 -1.41 -3.26 119.26 115.71 2kb2 h ALA 30 Ca -0.00 -0.30 0.11 0.00 0.00 0.00 0.00 54.91 54.72 2kb2 h ALA 30 Cb 0.10 0.03 -0.08 0.00 0.00 0.00 0.00 17.79 17.84 2kb2 h ALA 30 CO 0.00 -0.15 0.44 1.03 0.00 0.00 0.00 179.25 180.57 2kb2 h SER 31 N -0.88 0.59 -0.23 0.00 0.87 -0.70 0.20 113.55 113.40 2kb2 h SER 31 Ca -0.01 0.06 0.07 0.00 -1.23 0.00 0.00 61.79 60.68 2kb2 h SER 31 Cb 0.62 -0.04 -0.01 0.00 -0.44 0.00 0.00 62.40 62.53 2kb2 h SER 31 CO 0.01 0.31 0.18 0.77 -0.53 0.00 0.00 176.83 177.58 2kb2 h SER 32 N 0.71 0.00 0.01 6.23 4.64 -1.59 0.14 113.55 123.69 2kb2 h SER 32 Ca 0.41 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 61.57 2kb2 h SER 32 Cb 0.45 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.51 2kb2 h SER 32 CO -0.28 0.00 -0.86 0.50 -0.87 0.00 0.00 176.83 175.32 2kb2 h LYS 33 N 0.00 0.02 -0.45 4.77 3.64 -1.06 -3.38 116.57 120.11 2kb2 h LYS 33 Ca 0.11 -0.03 -0.09 0.00 -1.27 0.00 0.00 60.65 59.38 2kb2 h LYS 33 Cb 0.47 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.29 2kb2 h LYS 33 CO -0.00 1.01 -0.08 -0.91 -2.27 0.00 0.00 179.45 177.20 2kb2 h ASN 34 N -0.95 0.77 0.15 4.20 4.21 -0.98 -2.54 115.58 120.42 2kb2 h ASN 34 Ca -0.23 -0.22 0.01 0.00 1.21 0.00 0.00 56.30 57.07 2kb2 h ASN 34 Cb 1.23 -0.21 -0.04 0.00 -1.12 0.00 0.00 38.32 38.19 2kb2 h ASN 34 CO -0.12 0.88 -0.49 0.25 -1.29 0.00 0.00 177.43 176.66 2kb2 h LEU 35 N 0.72 -1.45 -1.40 1.61 5.85 -0.86 0.27 115.31 120.05 2kb2 h LEU 35 Ca 0.13 0.15 -0.05 0.00 0.84 0.00 0.00 57.88 58.94 2kb2 h LEU 35 Cb 0.55 0.53 -0.01 0.00 0.37 0.00 0.00 40.66 42.10 2kb2 h LEU 35 CO 0.03 -0.53 -0.26 1.55 -0.34 0.00 0.00 178.44 178.90 2kb2 h PRO 36 N -0.72 0.00 0.00 5.25 0.13 -1.74 -2.28 132.00 132.65 2kb2 h PRO 36 Ca -0.01 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.10 2kb2 h PRO 36 Cb 0.71 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.84 2kb2 h PRO 36 CO -0.24 0.26 -0.11 -0.07 -0.23 0.00 0.00 178.00 177.61 2kb2 h LEU 37 N 0.00 0.00 0.00 1.56 4.07 -0.92 -3.46 115.31 116.56 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 0.61 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.35 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 0.75 3.90 0.83 0.00 0.40 -4.94 105.19 106.24 2kb2 n GLY 38 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.21 4.90 0.08 -0.61 1.01 0.67 -4.69 121.20 120.35 2kb2 s ILE 39 Ca 0.00 0.29 -0.11 0.00 0.00 0.00 0.00 60.65 60.82 2kb2 s ILE 39 Cb 0.00 -3.80 0.01 0.00 0.01 0.00 0.00 42.46 38.69 2kb2 s ILE 39 CO 0.00 -0.63 0.26 0.42 0.00 0.00 0.00 174.94 174.99 2kb2 s THR 40 N -2.47 0.11 -4.15 2.92 -4.23 -0.81 -4.02 115.64 102.98 2kb2 s THR 40 Ca 0.48 -0.91 0.00 0.00 -1.18 0.00 0.00 61.69 60.08 2kb2 s THR 40 Cb -0.10 -1.17 0.00 0.00 1.34 0.00 0.00 72.50 72.57 2kb2 s THR 40 CO 0.37 -0.50 0.00 0.61 -0.54 0.00 0.00 174.62 174.56 2kb2 n GLY 41 N 0.13 -0.64 3.30 3.99 0.00 0.51 -0.58 105.19 111.90 2kb2 n GLY 41 Ca -0.16 -1.05 -0.14 0.00 0.00 0.00 0.00 46.02 44.67 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 0.02 0.32 -0.61 2.07 -0.96 -3.62 121.20 115.43 2kb2 s ILE 42 Ca 0.00 -0.21 0.08 0.00 -1.41 0.00 0.00 60.65 59.12 2kb2 s ILE 42 Cb 0.00 -0.64 -0.04 0.00 0.13 0.00 0.00 42.46 41.91 2kb2 s ILE 42 CO 0.00 -0.11 0.15 -0.76 -1.91 0.00 0.00 174.94 172.31 2kb2 s LEU 43 N -0.59 3.36 0.05 8.50 1.43 0.33 -0.19 118.68 131.57 2kb2 s LEU 43 Ca -0.07 -0.66 -0.05 0.00 -1.03 0.00 0.00 54.13 52.33 2kb2 s LEU 43 Cb -0.04 -1.88 -0.02 0.00 0.03 0.00 0.00 46.19 44.29 2kb2 s LEU 43 CO 0.03 -0.24 0.08 -0.76 0.23 0.00 0.00 176.35 175.69 2kb2 s LEU 44 N -3.85 1.92 -0.14 1.79 1.02 0.17 0.83 118.68 120.42 2kb2 s LEU 44 Ca 0.37 -0.64 -0.10 0.00 0.02 0.00 0.00 54.13 53.77 2kb2 s LEU 44 Cb -0.04 0.55 0.05 0.00 0.02 0.00 0.00 46.19 46.76 2kb2 s LEU 44 CO 0.23 -0.54 0.36 0.12 0.02 0.00 0.00 176.35 176.54 2kb2 s PHE 45 N -2.98 -0.46 -0.00 0.29 5.36 -0.51 -2.01 117.98 117.66 2kb2 s PHE 45 Ca -0.02 1.06 0.01 0.00 -0.96 0.00 0.00 56.93 57.01 2kb2 s PHE 45 Cb 0.01 0.17 0.01 0.00 -0.34 0.00 0.00 43.02 42.87 2kb2 s PHE 45 CO -0.06 -0.25 0.88 0.27 -1.46 0.00 0.00 175.22 174.60 2kb2 n ASN 46 N 3.56 1.49 0.00 6.13 0.23 -1.15 0.66 115.26 126.17 2kb2 n ASN 46 Ca -0.18 -1.78 0.00 0.00 -0.53 0.00 0.00 54.58 52.09 2kb2 n ASN 46 Cb 0.56 -0.01 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 -0.40 0.63 0.00 4.83 0.00 -1.26 -4.74 105.19 104.25 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 -4.45 0.99 -0.00 -1.26 -4.86 117.00 107.42 2kb2 n LEU 48 Ca 0.00 0.00 -0.22 0.00 -0.00 0.00 0.00 56.01 55.79 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 -0.27 -1.10 -0.00 0.00 0.00 177.39 176.02 2kb2 s GLN 49 N -1.00 1.66 -0.10 1.96 -0.21 -1.26 -1.09 119.66 119.63 2kb2 s GLN 49 Ca 0.00 -1.92 -0.00 0.00 0.02 0.00 0.00 55.36 53.45 2kb2 s GLN 49 Cb 0.00 -0.86 0.02 0.00 1.00 0.00 0.00 33.01 33.18 2kb2 s GLN 49 CO 0.00 -0.20 -0.07 -0.06 -2.12 0.00 0.00 175.29 172.85 2kb2 s PHE 50 N -3.30 1.30 -0.18 0.91 0.08 -0.90 -2.94 117.98 112.95 2kb2 s PHE 50 Ca 0.36 -0.59 -0.02 0.00 0.12 0.00 0.00 56.93 56.80 2kb2 s PHE 50 Cb 0.09 -1.11 -0.01 0.00 -0.57 0.00 0.00 43.02 41.42 2kb2 s PHE 50 CO 0.15 -0.44 -0.10 0.12 -0.10 0.00 0.00 175.22 174.86 2kb2 s PHE 51 N 1.58 2.88 -0.04 0.36 5.36 -0.85 -0.51 117.98 126.76 2kb2 s PHE 51 Ca 0.02 -0.94 0.06 0.00 -0.96 0.00 0.00 56.93 55.11 2kb2 s PHE 51 Cb -0.13 -1.99 -0.01 0.00 -0.34 0.00 0.00 43.02 40.55 2kb2 s PHE 51 CO -0.06 -0.47 -0.22 -1.14 -1.46 0.00 0.00 175.22 171.87 2kb2 s GLN 52 N 1.05 2.09 -0.45 10.12 2.00 -0.19 0.43 119.66 134.71 2kb2 s GLN 52 Ca -0.00 -0.79 -0.06 0.00 -2.00 0.00 0.00 55.36 52.50 2kb2 s GLN 52 Cb -0.15 -1.86 0.12 0.00 0.80 0.00 0.00 33.01 31.92 2kb2 s GLN 52 CO -0.02 0.39 0.29 0.08 -0.50 0.00 0.00 175.29 175.53 2kb2 s VAL 53 N -0.25 3.82 -0.21 1.34 1.01 0.74 -2.09 120.40 124.76 2kb2 s VAL 53 Ca 0.01 -1.92 -0.10 0.00 0.00 0.00 0.00 61.98 59.97 2kb2 s VAL 53 Cb -0.11 -3.55 -0.05 0.00 0.00 0.00 0.00 36.38 32.66 2kb2 s VAL 53 CO 0.02 -0.74 0.15 -0.22 0.00 0.00 0.00 175.10 174.30 2kb2 s LEU 54 N 1.25 4.19 -0.13 3.92 2.96 0.11 -2.25 118.68 128.72 2kb2 s LEU 54 Ca 0.07 0.22 -0.03 0.00 -0.22 0.00 0.00 54.13 54.17 2kb2 s LEU 54 Cb -0.25 -2.11 0.05 0.00 0.50 0.00 0.00 46.19 44.38 2kb2 s LEU 54 CO -0.02 0.14 0.05 -1.83 -1.32 0.00 0.00 176.35 173.37 2kb2 s GLU 55 N 0.56 0.34 0.00 1.98 -1.05 0.26 0.52 118.70 121.30 2kb2 s GLU 55 Ca 0.08 -0.06 0.00 0.00 -0.15 0.00 0.00 54.97 54.84 2kb2 s GLU 55 Cb -0.12 -1.50 0.00 0.00 -0.44 0.00 0.00 34.13 32.08 2kb2 s GLU 55 CO 0.00 -0.52 0.00 0.41 0.95 0.00 0.00 175.26 176.10 2kb2 n GLY 56 N 5.18 -0.71 3.71 -3.83 0.00 0.22 -1.93 105.19 107.82 2kb2 n GLY 56 Ca -0.07 -0.72 -0.42 0.00 0.00 0.00 0.00 46.02 44.81 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 1.41 0.13 -0.35 2.61 -2.24 -1.26 0.31 114.28 114.88 2kb2 n THR 57 Ca 0.00 -0.02 0.18 0.00 -2.27 0.00 0.00 64.05 61.93 2kb2 n THR 57 Cb 0.00 -2.02 0.39 0.00 -2.10 0.00 0.00 70.33 66.60 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 7.36 0.56 -0.32 -0.78 4.81 -1.85 0.34 114.58 124.70 2kb2 h GLU 58 Ca -0.44 -0.03 0.01 0.00 -0.13 0.00 0.00 59.36 58.77 2kb2 h GLU 58 Cb 1.21 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 30.45 2kb2 h GLU 58 CO 0.95 0.37 0.21 1.05 -0.73 0.00 0.00 179.01 180.87 2kb2 h GLU 59 N 0.58 0.38 0.18 1.92 -0.00 -1.94 -1.79 114.58 113.91 2kb2 h GLU 59 Ca 0.64 -0.02 -0.32 0.00 -0.00 0.00 0.00 59.36 59.66 2kb2 h GLU 59 Cb 1.23 -0.09 0.01 0.00 -0.00 0.00 0.00 28.75 29.91 2kb2 h GLU 59 CO -0.47 0.25 -1.50 0.00 -0.00 0.00 0.00 179.01 177.29 2kb2 h ALA 60 N 1.81 0.07 -0.82 1.06 0.00 -0.75 -3.23 119.26 117.39 2kb2 h ALA 60 Ca 0.12 -0.99 0.00 0.00 0.00 0.00 0.00 54.91 54.04 2kb2 h ALA 60 Cb 0.01 0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.98 2kb2 h ALA 60 CO -0.03 0.94 0.53 -0.07 0.00 0.00 0.00 179.25 180.62 2kb2 h LEU 61 N 0.10 0.96 0.71 0.00 3.38 -0.62 0.39 115.31 120.25 2kb2 h LEU 61 Ca -0.25 -0.04 -0.03 0.00 0.09 0.00 0.00 57.88 57.65 2kb2 h LEU 61 Cb 2.08 -0.24 0.01 0.00 0.09 0.00 0.00 40.66 42.59 2kb2 h LEU 61 CO 0.21 0.72 -0.34 -0.08 0.09 0.00 0.00 178.44 179.04 2kb2 h GLU 62 N 1.12 -0.92 -0.63 1.13 4.81 -1.47 -0.37 114.58 118.25 2kb2 h GLU 62 Ca 0.30 0.06 0.09 0.00 -0.13 0.00 0.00 59.36 59.68 2kb2 h GLU 62 Cb -0.09 0.21 -0.07 0.00 0.63 0.00 0.00 28.75 29.43 2kb2 h GLU 62 CO -0.06 -0.59 0.27 0.77 -0.73 0.00 0.00 179.01 178.67 2kb2 h SER 63 N -1.16 0.32 0.46 1.04 0.02 -1.56 0.18 113.55 112.85 2kb2 h SER 63 Ca -0.10 0.07 -0.02 0.00 -0.84 0.00 0.00 61.79 60.90 2kb2 h SER 63 Cb 0.76 0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.32 2kb2 h SER 63 CO 0.16 0.19 -0.24 0.25 -1.14 0.00 0.00 176.83 176.05 2kb2 h LEU 64 N 0.48 -0.59 -1.97 5.07 7.12 -0.91 0.47 115.31 124.98 2kb2 h LEU 64 Ca 0.31 0.03 0.30 0.00 0.13 0.00 0.00 57.88 58.65 2kb2 h LEU 64 Cb 0.35 0.16 -0.04 0.00 -0.53 0.00 0.00 40.66 40.60 2kb2 h LEU 64 CO -0.28 -0.40 0.77 0.15 -0.13 0.00 0.00 178.44 178.56 2kb2 h PHE 65 N -0.65 0.00 -0.00 1.25 3.57 -0.88 1.01 116.94 121.24 2kb2 h PHE 65 Ca -0.06 0.00 -0.17 0.00 3.53 0.00 0.00 57.97 61.27 2kb2 h PHE 65 Cb 0.50 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.22 2kb2 h PHE 65 CO 0.07 0.00 -0.79 0.77 -2.23 0.00 0.00 178.31 176.14 2kb2 h SER 66 N 0.00 0.06 0.61 0.41 0.02 0.02 -2.69 113.55 111.99 2kb2 h SER 66 Ca 0.49 -0.05 -0.10 0.00 -0.84 0.00 0.00 61.79 61.29 2kb2 h SER 66 Cb 2.03 -0.02 -0.01 0.00 0.14 0.00 0.00 62.40 64.54 2kb2 h SER 66 CO -0.01 0.82 -0.49 -0.33 -1.14 0.00 0.00 176.83 175.69 2kb2 h GLU 67 N 0.03 0.00 0.24 3.45 4.39 0.32 -3.08 114.58 119.94 2kb2 h GLU 67 Ca -0.02 0.00 -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 30.04 2kb2 h GLU 67 CO 0.11 0.49 -0.12 0.82 -1.16 0.00 0.00 179.01 179.15 2kb2 h ILE 68 N 0.00 0.80 0.00 3.13 5.03 -0.95 -2.91 117.51 122.62 2kb2 h ILE 68 Ca -0.00 -0.71 0.00 0.00 -0.12 0.00 0.00 64.86 64.03 2kb2 h ILE 68 Cb 0.93 1.18 0.00 0.00 -3.03 0.00 0.00 36.82 35.89 2kb2 h ILE 68 CO 0.06 0.14 0.00 0.00 -0.68 0.00 0.00 178.15 177.68 2kb2 n GLN 69 N -5.07 0.01 -0.01 2.37 6.02 -1.03 -0.41 117.38 119.25 2kb2 n GLN 69 Ca -0.09 0.39 0.13 0.00 -0.01 0.00 0.00 57.00 57.43 2kb2 n GLN 69 Cb 0.25 -1.52 0.45 0.00 1.02 0.00 0.00 30.24 30.44 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 -1.54 1.77 -4.83 1.08 2.88 -1.10 -4.91 113.62 106.96 2kb2 n SER 70 Ca 0.02 -1.60 -0.34 0.00 -1.33 0.00 0.00 58.87 55.62 2kb2 n SER 70 Cb 0.08 -0.01 -0.06 0.00 -0.75 0.00 0.00 64.21 63.47 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 -1.96 6.93 0.03 -3.46 1.01 0.45 -5.00 116.67 114.66 2kb2 s ASP 71 Ca 0.36 1.48 0.23 0.00 0.71 0.00 0.00 52.55 55.33 2kb2 s ASP 71 Cb 0.21 -2.45 0.17 0.00 1.01 0.00 0.00 42.92 41.86 2kb2 s ASP 71 CO 0.32 -0.19 1.15 -0.81 0.21 0.00 0.00 175.17 175.85 2kb2 n PRO 72 N -0.17 0.14 0.00 8.23 -0.04 -1.26 -4.61 135.00 137.30 2kb2 n PRO 72 Ca 0.03 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.50 2kb2 n PRO 72 Cb 0.53 -1.55 0.00 0.00 -0.04 0.00 0.00 33.50 32.44 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 -1.73 0.00 0.00 0.54 0.63 -1.26 -4.84 116.66 110.00 2kb2 n ARG 73 Ca 0.04 0.07 0.00 0.00 -0.92 0.00 0.00 57.85 57.03 2kb2 n ARG 73 Cb 0.38 -0.96 0.00 0.00 0.45 0.00 0.00 32.46 32.33 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 -0.70 -0.20 0.18 -0.14 1.44 -1.26 -4.28 115.22 110.27 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 -1.69 -1.40 1.85 -1.26 -4.70 116.66 109.45 2kb2 n ARG 75 Ca 0.00 0.00 -0.32 0.00 -1.00 0.00 0.00 57.85 56.53 2kb2 n ARG 75 Cb 0.00 0.00 -0.02 0.00 -1.05 0.00 0.00 32.46 31.39 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 -3.27 6.93 -4.64 2.89 2.03 -1.26 -4.85 116.55 114.37 2kb2 n ASP 76 Ca 0.00 -3.42 -0.43 0.00 0.52 0.00 0.00 54.79 51.46 2kb2 n ASP 76 Cb 0.00 -1.19 -0.02 0.00 -0.72 0.00 0.00 41.12 39.19 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 -3.16 4.00 -0.03 5.18 0.11 -1.24 -3.85 120.40 121.42 2kb2 s VAL 77 Ca 0.56 1.16 0.05 0.00 -2.93 0.00 0.00 61.98 60.82 2kb2 s VAL 77 Cb 0.38 -3.91 -0.01 0.00 -1.53 0.00 0.00 36.38 31.32 2kb2 s VAL 77 CO -0.28 -0.28 -0.17 0.54 -3.33 0.00 0.00 175.10 171.59 2kb2 s VAL 78 N 4.29 1.35 -0.26 2.04 0.11 0.07 -4.90 120.40 123.11 2kb2 s VAL 78 Ca 0.62 -0.70 -0.28 0.00 -2.93 0.00 0.00 61.98 58.69 2kb2 s VAL 78 Cb -0.22 -1.15 -0.04 0.00 -1.53 0.00 0.00 36.38 33.43 2kb2 s VAL 78 CO 0.23 0.39 2.15 -0.70 -3.33 0.00 0.00 175.10 173.84 2kb2 s GLU 79 N -0.12 3.10 0.02 1.54 2.12 -1.26 -1.99 118.70 122.12 2kb2 s GLU 79 Ca 0.00 1.87 -0.10 0.00 0.36 0.00 0.00 54.97 57.10 2kb2 s GLU 79 Cb -0.09 -4.35 -0.32 0.00 0.26 0.00 0.00 34.13 29.63 2kb2 s GLU 79 CO 0.01 -2.14 0.96 -0.07 -0.54 0.00 0.00 175.26 173.48 2kb2 h LEU 80 N 15.11 0.62 -8.30 2.70 3.38 0.16 -3.48 115.31 125.50 2kb2 h LEU 80 Ca -0.39 -0.72 -0.11 0.00 0.09 0.00 0.00 57.88 56.75 2kb2 h LEU 80 Cb 1.23 -0.20 -0.08 0.00 0.09 0.00 0.00 40.66 41.70 2kb2 h LEU 80 CO 0.99 1.58 -0.11 -0.32 0.09 0.00 0.00 178.44 180.67 2kb2 s MET 81 N -2.61 1.70 0.00 1.13 1.75 0.84 -4.91 119.30 117.19 2kb2 s MET 81 Ca -0.09 -1.40 0.00 0.00 -1.25 0.00 0.00 55.69 52.95 2kb2 s MET 81 Cb 0.06 0.47 0.00 0.00 2.84 0.00 0.00 34.83 38.20 2kb2 s MET 81 CO 0.90 -0.71 0.00 -2.13 -0.65 0.00 0.00 175.02 172.42 2kb2 n ARG 82 N -0.44 0.00 -4.55 4.11 0.63 -1.15 -1.67 116.66 113.59 2kb2 n ARG 82 Ca -0.02 0.00 -0.27 0.00 -0.92 0.00 0.00 57.85 56.64 2kb2 n ARG 82 Cb 0.62 0.00 -0.14 0.00 0.45 0.00 0.00 32.46 33.39 2kb2 n ARG 82 CO 0.00 0.00 0.00 0.34 -2.51 0.00 0.00 177.63 175.46 2kb2 s ASP 83 N 0.00 2.94 0.58 6.15 2.15 -0.88 -4.91 116.67 122.70 2kb2 s ASP 83 Ca 0.00 -0.65 -0.19 0.00 0.43 0.00 0.00 52.55 52.14 2kb2 s ASP 83 Cb 0.00 -0.22 -0.04 0.00 -0.30 0.00 0.00 42.92 42.36 2kb2 s ASP 83 CO 0.00 0.17 1.20 -0.31 -0.17 0.00 0.00 175.17 176.06 2kb2 s TYR 84 N -0.97 2.42 0.24 -5.34 2.02 -1.26 0.06 117.35 114.52 2kb2 s TYR 84 Ca 0.10 1.51 -0.13 0.00 -0.37 0.00 0.00 57.07 58.19 2kb2 s TYR 84 Cb -0.10 -3.47 -0.00 0.00 -0.40 0.00 0.00 41.96 37.99 2kb2 s TYR 84 CO 0.04 -2.17 0.47 -1.12 -1.57 0.00 0.00 175.55 171.20 2kb2 s SER 85 N -1.59 -0.09 0.00 2.29 0.01 0.20 -4.75 113.70 109.77 2kb2 s SER 85 Ca 0.77 -0.89 0.00 0.00 1.31 0.00 0.00 55.95 57.14 2kb2 s SER 85 Cb -0.30 0.57 0.00 0.00 0.21 0.00 0.00 66.02 66.50 2kb2 s SER 85 CO 0.33 -1.11 0.44 0.00 0.41 0.00 0.00 173.24 173.30 2kb2 n ALA 86 N -0.36 0.97 -2.86 1.44 0.00 -1.26 -1.43 120.51 117.00 2kb2 n ALA 86 Ca -0.03 -0.44 -0.09 0.00 0.00 0.00 0.00 53.44 52.88 2kb2 n ALA 86 Cb 0.62 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 20.01 2kb2 n ALA 86 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.50 179.02 2kb2 s TYR 87 N -0.14 0.23 -0.20 0.00 1.13 -1.26 -4.88 117.35 112.24 2kb2 s TYR 87 Ca 0.00 -0.59 -0.04 0.00 -1.41 0.00 0.00 57.07 55.03 2kb2 s TYR 87 Cb 0.00 0.07 -0.02 0.00 -1.10 0.00 0.00 41.96 40.91 2kb2 s TYR 87 CO 0.00 -0.75 -0.02 1.03 -2.51 0.00 0.00 175.55 173.29 2kb2 s ARG 88 N -3.93 3.54 0.05 -3.49 0.52 -1.26 -4.93 118.95 109.44 2kb2 s ARG 88 Ca 0.14 -0.56 -0.18 0.00 -0.52 0.00 0.00 55.73 54.61 2kb2 s ARG 88 Cb 0.02 -3.01 -0.17 0.00 0.52 0.00 0.00 34.95 32.31 2kb2 s ARG 88 CO -0.02 -0.01 1.25 0.00 0.02 0.00 0.00 175.30 176.54 2kb2 h ARG 89 N 7.53 0.52 -4.26 3.54 -0.00 -1.95 -3.39 114.38 116.36 2kb2 h ARG 89 Ca -0.36 -0.40 -0.75 0.00 -0.50 0.00 0.00 59.98 57.97 2kb2 h ARG 89 Cb 1.18 0.08 -0.23 0.00 0.00 0.00 0.00 29.97 31.00 2kb2 h ARG 89 CO 0.60 1.02 0.10 -0.06 0.00 0.00 0.00 179.97 181.64 2kb2 s PHE 90 N -3.76 3.35 -0.70 3.04 0.08 -1.26 -4.23 117.98 114.50 2kb2 s PHE 90 Ca -0.13 -1.46 -0.19 0.00 0.12 0.00 0.00 56.93 55.27 2kb2 s PHE 90 Cb 0.06 -3.92 0.12 0.00 -0.57 0.00 0.00 43.02 38.71 2kb2 s PHE 90 CO 0.82 -1.14 0.83 -1.58 -0.10 0.00 0.00 175.22 174.06 2kb2 s HIS 91 N 1.50 3.07 0.00 0.36 5.65 -1.26 -4.06 115.29 120.55 2kb2 s HIS 91 Ca 0.14 -1.12 0.00 0.00 0.25 0.00 0.00 55.06 54.33 2kb2 s HIS 91 Cb -0.19 -4.09 0.00 0.00 -1.18 0.00 0.00 32.58 27.13 2kb2 s HIS 91 CO -0.02 -1.35 0.00 0.41 -0.65 0.00 0.00 174.74 173.13 2kb2 n GLY 92 N 5.17 1.08 3.25 1.59 0.00 -1.26 -5.06 105.19 109.96 2kb2 n GLY 92 Ca 0.01 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.60 2kb2 n GLY 92 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2kb2 s THR 93 N -1.16 4.67 0.04 2.61 2.01 -1.26 -4.95 115.64 117.61 2kb2 s THR 93 Ca 0.00 -1.78 -0.28 0.00 0.31 0.00 0.00 61.69 59.94 2kb2 s THR 93 Cb 0.00 -4.02 -0.17 0.00 0.01 0.00 0.00 72.50 68.31 2kb2 s THR 93 CO 0.00 -0.84 1.45 1.23 -0.69 0.00 0.00 174.62 175.77 2kb2 h GLY 94 N 8.51 -0.58 -5.95 4.40 0.00 -1.83 -3.11 103.07 104.50 2kb2 h GLY 94 Ca -0.21 0.22 -0.23 0.00 0.00 0.00 0.00 47.33 47.11 2kb2 h GLY 94 CO 0.91 -0.21 -0.60 -0.29 0.00 0.00 0.00 176.54 176.35 2kb2 s MET 95 N -5.39 0.10 -0.28 4.80 1.75 -1.26 -0.36 119.30 118.67 2kb2 s MET 95 Ca -0.15 0.28 0.01 0.00 -1.25 0.00 0.00 55.69 54.58 2kb2 s MET 95 Cb 0.03 -0.09 0.16 0.00 2.84 0.00 0.00 34.83 37.78 2kb2 s MET 95 CO 0.58 -0.11 0.45 0.50 -0.65 0.00 0.00 175.02 175.80 2kb2 s ARG 96 N 0.73 0.44 0.83 4.11 3.00 -1.24 -4.69 118.95 122.13 2kb2 s ARG 96 Ca -0.06 0.44 -0.11 0.00 -1.00 0.00 0.00 55.73 55.01 2kb2 s ARG 96 Cb -0.07 -0.15 0.09 0.00 0.00 0.00 0.00 34.95 34.81 2kb2 s ARG 96 CO -0.03 -0.86 1.10 -1.50 0.00 0.00 0.00 175.30 174.01 2kb2 s ILE 97 N 2.63 2.95 -0.37 4.11 -1.16 -1.25 -0.51 121.20 127.60 2kb2 s ILE 97 Ca 0.12 0.31 0.00 0.00 -0.51 0.00 0.00 60.65 60.57 2kb2 s ILE 97 Cb -0.13 -2.71 0.13 0.00 0.61 0.00 0.00 42.46 40.35 2kb2 s ILE 97 CO -0.24 -0.40 0.19 -0.22 -2.81 0.00 0.00 174.94 171.45 2kb2 s LEU 98 N -6.13 1.80 -0.95 8.50 2.96 0.24 -4.74 118.68 120.37 2kb2 s LEU 98 Ca 0.63 -2.13 -0.25 0.00 -0.22 0.00 0.00 54.13 52.15 2kb2 s LEU 98 Cb -0.18 -0.71 -0.13 0.00 0.50 0.00 0.00 46.19 45.66 2kb2 s LEU 98 CO 0.57 -0.33 2.16 -0.62 -1.32 0.00 0.00 176.35 176.81 2kb2 s ASP 99 N 1.04 4.23 0.66 3.68 2.15 -1.26 -1.43 116.67 125.73 2kb2 s ASP 99 Ca 0.15 -0.63 0.39 0.00 0.43 0.00 0.00 52.55 52.90 2kb2 s ASP 99 Cb -0.22 -2.57 2.15 0.00 -0.30 0.00 0.00 42.92 41.98 2kb2 s ASP 99 CO -0.08 -3.73 2.24 -0.07 -0.17 0.00 0.00 175.17 173.36 2kb2 h LEU 100 N 20.74 0.00 -1.97 -1.34 3.38 -0.13 0.18 115.31 136.16 2kb2 h LEU 100 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 2kb2 h LEU 100 Cb 0.99 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.74 2kb2 h LEU 100 CO 1.09 0.00 0.08 0.03 0.09 0.00 0.00 178.44 179.73 2kb2 h ARG 101 N 0.00 0.00 0.06 1.13 3.08 -1.84 -1.34 114.38 115.47 2kb2 h ARG 101 Ca 0.01 0.00 -0.33 0.00 0.07 0.00 0.00 59.98 59.73 2kb2 h ARG 101 Cb 0.19 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.21 2kb2 h ARG 101 CO -0.00 0.00 -1.84 1.28 -1.07 0.00 0.00 179.97 178.34 2kb2 n LEU 102 N -2.59 2.35 0.00 3.04 4.77 0.61 -5.00 117.00 120.18 2kb2 n LEU 102 Ca -0.02 0.26 0.00 0.00 -0.03 0.00 0.00 56.01 56.22 2kb2 n LEU 102 Cb 0.13 -1.02 0.00 0.00 -2.33 0.00 0.00 43.42 40.20 2kb2 n LEU 102 CO 0.13 0.64 0.00 0.49 -1.33 0.00 0.00 177.39 177.32 2kb2 n PHE 103 N -3.85 0.00 -2.83 -1.77 3.72 -0.50 -5.06 117.46 107.16 2kb2 n PHE 103 Ca -0.35 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.05 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 0.43 -1.08 0.28 -1.26 -4.83 120.64 114.19 2kb2 n GLU 104 Ca 0.00 0.00 -0.17 0.00 -0.16 0.00 0.00 57.16 56.83 2kb2 n GLU 104 Cb 0.00 0.00 -0.08 0.00 1.43 0.00 0.00 31.44 32.79 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 0.06 0.02 0.00 3.84 2.02 -1.93 0.18 112.91 117.10 2kb2 h THR 105 Ca 0.00 -0.17 -0.10 0.00 0.77 0.00 0.00 66.41 66.91 2kb2 h THR 105 Cb 0.00 0.03 -0.01 0.00 -1.74 0.00 0.00 68.15 66.43 2kb2 h THR 105 CO 0.00 0.00 -0.47 -0.78 0.37 0.00 0.00 175.52 174.64 2kb2 h ASP 106 N -1.28 0.00 0.34 4.18 3.58 -1.98 -2.71 116.42 118.55 2kb2 h ASP 106 Ca -0.11 0.00 -0.02 0.00 0.42 0.00 0.00 57.03 57.32 2kb2 h ASP 106 Cb 0.86 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.91 2kb2 h ASP 106 CO 0.19 0.47 -0.16 1.23 -2.88 0.00 0.00 179.24 178.08 2kb2 h GLY 107 N 2.67 -0.48 0.16 -0.78 0.00 -1.93 -2.16 103.07 100.56 2kb2 h GLY 107 Ca -0.00 0.18 0.10 0.00 0.00 0.00 0.00 47.33 47.60 2kb2 h GLY 107 CO 0.06 -0.17 -0.01 0.00 0.00 0.00 0.00 176.54 176.42 2kb2 h ALA 108 N -1.55 0.46 -0.85 3.60 0.00 -0.75 0.22 119.26 120.40 2kb2 h ALA 108 Ca -0.05 0.15 0.15 0.00 0.00 0.00 0.00 54.91 55.16 2kb2 h ALA 108 Cb 0.35 0.26 -0.06 0.00 0.00 0.00 0.00 17.79 18.34 2kb2 h ALA 108 CO 0.08 -0.39 0.55 1.25 0.00 0.00 0.00 179.25 180.74 2kb2 h LEU 109 N 0.11 0.56 -0.78 0.00 5.85 -1.56 0.19 115.31 119.69 2kb2 h LEU 109 Ca 0.25 0.03 -0.08 0.00 0.84 0.00 0.00 57.88 58.93 2kb2 h LEU 109 Cb 0.38 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.31 2kb2 h LEU 109 CO -0.42 0.28 0.04 -0.33 -0.34 0.00 0.00 178.44 177.67 2kb2 h GLU 110 N 0.59 0.97 0.14 1.25 5.08 0.09 -2.76 114.58 119.95 2kb2 h GLU 110 Ca 0.42 -0.27 0.01 0.00 -1.00 0.00 0.00 59.36 58.52 2kb2 h GLU 110 Cb 0.78 -0.11 -0.05 0.00 0.50 0.00 0.00 28.75 29.87 2kb2 h GLU 110 CO -0.18 0.93 -0.52 0.93 -1.00 0.00 0.00 179.01 179.17 2kb2 h GLU 111 N 0.91 -0.73 -0.43 2.33 3.07 0.28 0.34 114.58 120.34 2kb2 h GLU 111 Ca 0.17 0.05 0.06 0.00 -0.50 0.00 0.00 59.36 59.14 2kb2 h GLU 111 Cb 0.47 0.17 -0.09 0.00 -0.84 0.00 0.00 28.75 28.46 2kb2 h GLU 111 CO 0.02 -0.49 -0.52 0.82 -1.40 0.00 0.00 179.01 177.44 2kb2 h ILE 112 N -0.76 0.03 -0.40 3.13 5.03 -1.39 -2.23 117.51 120.93 2kb2 h ILE 112 Ca -0.01 0.00 0.08 0.00 -0.12 0.00 0.00 64.86 64.81 2kb2 h ILE 112 Cb 0.76 0.03 -0.09 0.00 -3.03 0.00 0.00 36.82 34.49 2kb2 h ILE 112 CO -0.27 0.00 -0.28 -0.07 -0.68 0.00 0.00 178.15 176.85 2kb2 h LEU 113 N -0.37 -0.92 -1.48 1.44 4.07 -1.15 1.41 115.31 118.31 2kb2 h LEU 113 Ca 0.10 0.18 0.21 0.00 0.08 0.00 0.00 57.88 58.45 2kb2 h LEU 113 Cb 0.59 0.45 -0.07 0.00 1.08 0.00 0.00 40.66 42.72 2kb2 h LEU 113 CO -0.60 -0.29 0.61 0.08 -1.08 0.00 0.00 178.44 177.15 2kb2 h ARG 114 N -0.21 0.41 -0.11 1.13 0.11 -0.33 -1.63 114.38 113.75 2kb2 h ARG 114 Ca 0.19 -0.02 0.00 0.00 0.10 0.00 0.00 59.98 60.24 2kb2 h ARG 114 Cb 0.50 -0.09 0.00 0.00 1.11 0.00 0.00 29.97 31.49 2kb2 h ARG 114 CO -0.52 0.27 0.00 1.97 0.10 0.00 0.00 179.97 181.79 2kb2 n PHE 115 N -4.53 0.14 -0.02 4.08 1.16 -0.54 -4.60 117.46 113.16 2kb2 n PHE 115 Ca 0.20 -0.44 -0.10 0.00 -1.87 0.00 0.00 57.45 55.25 2kb2 n PHE 115 Cb 0.71 -0.04 -0.14 0.00 -1.61 0.00 0.00 39.48 38.41 2kb2 n PHE 115 CO 0.00 0.00 0.00 0.45 -1.87 0.00 0.00 176.76 175.34 2kb2 n SER 116 N -0.10 0.99 -1.38 5.98 2.88 0.47 -4.88 113.62 117.59 2kb2 n SER 116 Ca 0.04 0.41 -0.15 0.00 -1.33 0.00 0.00 58.87 57.84 2kb2 n SER 116 Cb 0.29 -0.15 -0.06 0.00 -0.75 0.00 0.00 64.21 63.53 2kb2 n SER 116 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 2kb2 n THR 117 N -3.09 0.00 -1.37 2.46 -2.24 -1.13 -4.27 114.28 104.64 2kb2 n THR 117 Ca -0.18 0.00 -0.53 0.00 -2.27 0.00 0.00 64.05 61.07 2kb2 n THR 117 Cb 1.05 -1.43 -0.10 0.00 -2.10 0.00 0.00 70.33 67.76 2kb2 n THR 117 CO 0.00 0.00 0.00 2.22 -0.57 0.00 0.00 175.07 176.72 2kb2 n PHE 118 N -1.99 1.33 -1.36 4.78 -1.74 -1.26 -4.77 117.46 112.44 2kb2 n PHE 118 Ca -0.15 0.49 0.07 0.00 -0.56 0.00 0.00 57.45 57.30 2kb2 n PHE 118 Cb 0.50 -2.42 0.11 0.00 1.52 0.00 0.00 39.48 39.19 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 6.93 3.89 0.05 4.97 0.00 -1.26 -5.04 105.19 114.74 2kb2 n GLY 119 Ca 0.49 -0.92 -0.00 0.00 0.00 0.00 0.00 46.02 45.59 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 -1.05 0.00 0.30 1.61 0.24 -1.26 -4.93 118.33 113.24 2kb2 n VAL 120 Ca 0.13 -0.00 -0.17 0.00 -2.04 0.00 0.00 64.34 62.26 2kb2 n VAL 120 Cb 0.67 -0.29 -0.08 0.00 -1.47 0.00 0.00 33.84 32.68 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 -1.89 0.33 -0.95 3.34 2.02 -2.04 -3.45 112.91 110.26 2kb2 h THR 121 Ca -0.01 0.00 0.17 0.00 0.77 0.00 0.00 66.41 67.35 2kb2 h THR 121 Cb 0.02 0.33 -0.23 0.00 -1.74 0.00 0.00 68.15 66.53 2kb2 h THR 121 CO 0.00 0.00 0.17 -1.83 0.37 0.00 0.00 175.52 174.23 2kb2 s GLU 122 N -6.04 0.31 0.00 6.66 -1.05 -1.26 -5.01 118.70 112.31 2kb2 s GLU 122 Ca -0.17 0.73 0.08 0.00 -0.15 0.00 0.00 54.97 55.46 2kb2 s GLU 122 Cb 0.05 0.43 0.42 0.00 -0.44 0.00 0.00 34.13 34.59 2kb2 s GLU 122 CO 0.63 -0.15 1.10 -0.35 0.95 0.00 0.00 175.26 177.44 2kb2 n PRO 123 N 5.09 0.13 0.00 -4.83 -0.04 -1.26 -3.83 135.00 130.26 2kb2 n PRO 123 Ca -0.08 0.18 0.00 0.00 -0.04 0.00 0.00 63.50 63.56 2kb2 n PRO 123 Cb 0.52 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.48 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 -1.25 0.00 1.42 0.52 0.31 -1.26 -3.06 118.33 115.02 2kb2 n VAL 124 Ca 0.04 0.92 0.00 0.00 -0.01 0.00 0.00 64.34 65.29 2kb2 n VAL 124 Cb 0.06 -1.80 0.00 0.00 -0.91 0.00 0.00 33.84 31.19 2kb2 n VAL 124 CO 0.00 0.00 0.00 -0.46 -1.32 0.00 0.00 176.83 175.05 2kb2 n ASN 125 N -0.53 0.46 -4.63 4.52 0.23 -1.25 -4.75 115.26 109.30 2kb2 n ASN 125 Ca 0.00 -1.88 -0.43 0.00 -0.53 0.00 0.00 54.58 51.74 2kb2 n ASN 125 Cb 0.00 -0.23 -0.03 0.00 -2.08 0.00 0.00 39.78 37.44 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 -0.57 5.99 0.31 0.53 2.15 -1.17 -4.85 116.67 119.07 2kb2 s ASP 126 Ca 0.00 2.23 0.08 0.00 0.43 0.00 0.00 52.55 55.29 2kb2 s ASP 126 Cb 0.00 -2.52 0.84 0.00 -0.30 0.00 0.00 42.92 40.94 2kb2 s ASP 126 CO 0.00 -1.48 1.74 0.08 -0.17 0.00 0.00 175.17 175.34 2kb2 h ARG 127 N 12.62 0.61 0.19 4.34 -0.00 -1.90 -0.32 114.38 129.91 2kb2 h ARG 127 Ca -0.44 -0.04 -0.01 0.00 -0.00 0.00 0.00 59.98 59.49 2kb2 h ARG 127 Cb 1.23 -0.14 0.00 0.00 -0.00 0.00 0.00 29.97 31.07 2kb2 h ARG 127 CO 0.96 0.40 -0.09 1.98 -0.00 0.00 0.00 179.97 183.22 2kb2 h MET 128 N 0.63 -0.24 -0.46 0.08 -1.53 -1.95 -3.02 114.93 108.44 2kb2 h MET 128 Ca 0.63 0.02 0.12 0.00 -3.44 0.00 0.00 59.70 57.03 2kb2 h MET 128 Cb 1.14 0.05 -0.02 0.00 -0.55 0.00 0.00 31.60 32.22 2kb2 h MET 128 CO -0.45 0.08 0.33 0.35 0.14 0.00 0.00 176.91 177.36 2kb2 h PHE 129 N -0.59 0.08 -0.53 1.39 3.57 -1.52 0.71 116.94 120.05 2kb2 h PHE 129 Ca -0.03 0.00 0.09 0.00 3.53 0.00 0.00 57.97 61.57 2kb2 h PHE 129 Cb 0.43 -0.03 -0.07 0.00 2.79 0.00 0.00 35.95 39.08 2kb2 h PHE 129 CO 0.03 0.03 0.11 0.00 -2.23 0.00 0.00 178.31 176.26 2kb2 h ARG 130 N 0.07 0.24 0.00 1.11 2.47 -0.97 0.37 114.38 117.67 2kb2 h ARG 130 Ca 0.22 -0.01 -0.00 0.00 -1.26 0.00 0.00 59.98 58.93 2kb2 h ARG 130 Cb 0.78 -0.06 0.00 0.00 -1.65 0.00 0.00 29.97 29.05 2kb2 h ARG 130 CO -0.02 0.16 -0.00 -0.07 0.56 0.00 0.00 179.97 180.60 2kb2 h LEU 131 N 0.25 -0.00 -0.53 3.04 3.38 -1.18 -2.84 115.31 117.43 2kb2 h LEU 131 Ca 0.27 -0.87 0.07 0.00 0.09 0.00 0.00 57.88 57.44 2kb2 h LEU 131 Cb 0.37 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 41.03 2kb2 h LEU 131 CO -0.35 0.87 -0.50 0.25 0.09 0.00 0.00 178.44 178.81 2kb2 h LEU 132 N -0.88 -1.69 -1.17 1.67 5.85 -0.69 0.14 115.31 118.54 2kb2 h LEU 132 Ca -0.00 0.25 -0.01 0.00 0.84 0.00 0.00 57.88 58.96 2kb2 h LEU 132 Cb 0.87 0.73 -0.00 0.00 0.37 0.00 0.00 40.66 42.64 2kb2 h LEU 132 CO 0.00 -0.36 -0.04 0.77 -0.34 0.00 0.00 178.44 178.47 2kb2 h SER 133 N -0.28 0.00 0.53 1.25 4.64 -1.08 -2.20 113.55 116.41 2kb2 h SER 133 Ca 0.13 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.31 2kb2 h SER 133 Cb 0.57 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.64 2kb2 h SER 133 CO -0.67 0.04 -0.65 0.00 -0.87 0.00 0.00 176.83 174.69 2kb2 h ALA 134 N 1.96 0.87 0.17 5.18 0.00 -0.57 0.24 119.26 127.10 2kb2 h ALA 134 Ca -0.00 -0.58 -0.30 0.00 0.00 0.00 0.00 54.91 54.03 2kb2 h ALA 134 Cb 0.63 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.35 2kb2 h ALA 134 CO 0.01 0.78 -1.35 0.35 0.00 0.00 0.00 179.25 179.04 2kb2 h PHE 135 N 0.07 0.64 -0.09 0.00 3.57 -0.69 0.15 116.94 120.60 2kb2 h PHE 135 Ca -0.01 -0.47 -0.12 0.00 3.53 0.00 0.00 57.97 60.90 2kb2 h PHE 135 Cb 1.16 -0.03 -0.01 0.00 2.79 0.00 0.00 35.95 39.86 2kb2 h PHE 135 CO 0.01 1.38 -0.47 0.82 -2.23 0.00 0.00 178.31 177.82 2kb2 h ILE 136 N 0.10 1.34 0.00 1.41 5.03 -1.31 0.13 117.51 124.20 2kb2 h ILE 136 Ca -0.18 -1.67 -0.04 0.00 -0.12 0.00 0.00 64.86 62.85 2kb2 h ILE 136 Cb 2.04 1.80 -0.01 0.00 -3.03 0.00 0.00 36.82 37.62 2kb2 h ILE 136 CO 0.22 0.49 -0.46 0.00 -0.68 0.00 0.00 178.15 177.73 2kb2 h ALA 137 N 1.33 0.05 0.03 1.87 0.00 -0.54 -3.31 119.26 118.69 2kb2 h ALA 137 Ca 0.01 -0.50 -0.36 0.00 0.00 0.00 0.00 54.91 54.06 2kb2 h ALA 137 Cb 0.90 0.36 -0.05 0.00 0.00 0.00 0.00 17.79 19.00 2kb2 h ALA 137 CO 0.07 0.36 -2.20 -0.25 0.00 0.00 0.00 179.25 177.23 2kb2 n ASP 138 N -4.63 1.36 0.00 0.00 8.00 0.50 -4.96 116.55 116.83 2kb2 n ASP 138 Ca -0.10 0.08 0.00 0.00 0.71 0.00 0.00 54.79 55.48 2kb2 n ASP 138 Cb 0.29 -0.13 0.00 0.00 -0.02 0.00 0.00 41.12 41.26 2kb2 n ASP 138 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2kb2 n GLY 139 N 1.95 0.00 0.00 0.44 0.00 0.46 -4.48 105.19 103.56 2kb2 n GLY 139 Ca -0.34 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.68 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 0.70 2.71 2.89 -0.02 0.00 -1.26 -4.82 105.19 105.39 2kb2 n GLY 140 Ca 0.00 -0.99 -0.01 0.00 0.00 0.00 0.00 46.02 45.02 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 0.31 -2.46 -0.47 1.61 3.00 -1.26 -4.99 116.66 112.39 2kb2 n ARG 141 Ca 0.00 2.12 -0.11 0.00 -0.01 0.00 0.00 57.85 59.85 2kb2 n ARG 141 Cb 0.00 -3.39 0.09 0.00 0.00 0.00 0.00 32.46 29.16 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 1.33 -3.50 -1.22 -1.55 4.11 -1.26 -5.02 117.16 110.05 2kb2 n TYR 142 Ca -0.08 -0.39 0.00 0.00 -0.00 0.00 0.00 57.90 57.43 2kb2 n TYR 142 Cb 0.27 -0.41 0.00 0.00 -0.00 0.00 0.00 39.34 39.20 2kb2 n TYR 142 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 2kb2 h LEU 144 N 0.00 0.00-10.19 0.00 -0.00 -2.01 -3.47 115.31 99.63 2kb2 h LEU 144 Ca 0.00 -0.50 -0.48 0.00 -0.00 0.00 0.00 57.88 56.91 2kb2 h LEU 144 Cb 0.40 0.00 0.02 0.00 -0.00 0.00 0.00 40.66 41.08 2kb2 h LEU 144 CO 0.00 0.92 0.33 -2.16 -0.00 0.00 0.00 178.44 177.54 2kb2 s PRO 145 N -2.06 3.90 -0.21 1.13 0.05 -1.26 -4.66 135.00 131.89 2kb2 s PRO 145 Ca -0.15 0.86 -0.03 0.00 0.05 0.00 0.00 61.00 61.72 2kb2 s PRO 145 Cb 0.00 -2.18 0.01 0.00 0.05 0.00 0.00 34.50 32.39 2kb2 s PRO 145 CO 0.42 -0.24 0.07 -1.91 0.05 0.00 0.00 177.00 175.38 2kb2 n GLU 146 N -1.59 -3.17 -1.64 4.56 2.13 -1.26 -5.03 120.64 114.65 2kb2 n GLU 146 Ca 0.06 2.57 -0.16 0.00 0.66 0.00 0.00 57.16 60.29 2kb2 n GLU 146 Cb 0.54 -4.31 0.09 0.00 0.27 0.00 0.00 31.44 28.04 2kb2 n GLU 146 CO 0.00 0.00 0.00 -0.35 -0.41 0.00 0.00 177.13 176.37 2kb2 n PRO 147 N 1.21 -0.16 0.00 5.31 -0.04 -1.26 -5.04 135.00 135.01 2kb2 n PRO 147 Ca -0.12 -1.58 0.09 0.00 -0.04 0.00 0.00 63.50 61.86 2kb2 n PRO 147 Cb 0.25 -0.56 0.54 0.00 -0.04 0.00 0.00 33.50 33.69 2kb2 n PRO 147 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35