#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 2.12 -0.03 1.61 2.12 -1.26 -5.13 118.70 118.14 2kb2 s GLU 2 Ca 0.00 -0.92 -0.01 0.00 0.36 0.00 0.00 54.97 54.39 2kb2 s GLU 2 Cb 0.00 -2.12 0.03 0.00 0.26 0.00 0.00 34.13 32.30 2kb2 s GLU 2 CO 0.00 0.56 0.06 0.12 -0.54 0.00 0.00 175.26 175.47 2kb2 s PHE 3 N -0.72 -0.04 0.46 5.30 5.36 -1.26 -5.16 117.98 121.92 2kb2 s PHE 3 Ca 0.11 0.22 0.03 0.00 -0.96 0.00 0.00 56.93 56.34 2kb2 s PHE 3 Cb -0.10 -0.14 -0.03 0.00 -0.34 0.00 0.00 43.02 42.40 2kb2 s PHE 3 CO 0.01 -0.10 0.02 -1.64 -1.46 0.00 0.00 175.22 172.05 2kb2 s MET 4 N 0.89 2.08 1.28 10.12 -1.94 -1.26 -5.14 119.30 125.32 2kb2 s MET 4 Ca -0.07 -2.28 -0.19 0.00 -1.71 0.00 0.00 55.69 51.44 2kb2 s MET 4 Cb -0.10 -1.44 0.31 0.00 2.01 0.00 0.00 34.83 35.62 2kb2 s MET 4 CO -0.03 -0.28 1.01 -1.17 -0.01 0.00 0.00 175.02 174.54 2kb2 s LEU 5 N -3.79 -0.01 0.05 -0.03 2.96 -0.57 -4.39 118.68 112.92 2kb2 s LEU 5 Ca 0.17 0.94 -0.24 0.00 -0.22 0.00 0.00 54.13 54.79 2kb2 s LEU 5 Cb 0.04 -2.61 0.06 0.00 0.50 0.00 0.00 46.19 44.18 2kb2 s LEU 5 CO 0.09 -4.62 0.56 -0.89 -1.32 0.00 0.00 176.35 170.17 2kb2 s THR 6 N -2.58 0.02 -0.42 3.68 2.01 0.85 -0.29 115.64 118.91 2kb2 s THR 6 Ca 0.69 -0.17 0.03 0.00 0.31 0.00 0.00 61.69 62.55 2kb2 s THR 6 Cb -0.15 -0.99 0.12 0.00 0.01 0.00 0.00 72.50 71.49 2kb2 s THR 6 CO 0.59 -0.09 0.17 -0.89 -0.69 0.00 0.00 174.62 173.71 2kb2 s THR 7 N -2.51 1.99 -0.09 -0.82 2.01 0.23 0.40 115.64 116.85 2kb2 s THR 7 Ca -0.05 -2.62 -0.18 0.00 0.31 0.00 0.00 61.69 59.16 2kb2 s THR 7 Cb -0.01 -2.43 -0.05 0.00 0.01 0.00 0.00 72.50 70.03 2kb2 s THR 7 CO -0.02 -0.75 0.47 -0.22 -0.69 0.00 0.00 174.62 173.40 2kb2 s LEU 8 N 0.44 4.32 0.05 4.42 0.20 0.69 -2.23 118.68 126.58 2kb2 s LEU 8 Ca 0.15 0.85 0.06 0.00 0.69 0.00 0.00 54.13 55.87 2kb2 s LEU 8 Cb -0.23 -2.68 -0.03 0.00 -0.43 0.00 0.00 46.19 42.83 2kb2 s LEU 8 CO -0.05 0.07 -0.15 -0.63 -0.29 0.00 0.00 176.35 175.29 2kb2 s ILE 9 N 0.26 1.23 0.26 6.68 1.01 0.14 -0.16 121.20 130.61 2kb2 s ILE 9 Ca 0.25 -1.16 -0.12 0.00 0.00 0.00 0.00 60.65 59.62 2kb2 s ILE 9 Cb -0.16 -1.13 -0.00 0.00 0.01 0.00 0.00 42.46 41.19 2kb2 s ILE 9 CO 0.11 -0.04 0.49 -0.72 0.00 0.00 0.00 174.94 174.78 2kb2 s TYR 10 N -0.99 0.39 -0.12 3.97 -0.85 -0.66 0.14 117.35 119.23 2kb2 s TYR 10 Ca 0.02 -0.75 -0.08 0.00 -0.52 0.00 0.00 57.07 55.73 2kb2 s TYR 10 Cb -0.09 0.19 0.04 0.00 0.38 0.00 0.00 41.96 42.49 2kb2 s TYR 10 CO 0.02 -1.02 0.30 -0.98 -1.52 0.00 0.00 175.55 172.35 2kb2 s ARG 11 N -3.92 0.31 0.00 -3.49 1.70 -0.84 -0.66 118.95 112.05 2kb2 s ARG 11 Ca 0.23 0.54 0.00 0.00 -0.47 0.00 0.00 55.73 56.03 2kb2 s ARG 11 Cb -0.01 0.02 0.00 0.00 -0.57 0.00 0.00 34.95 34.39 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 3.70 0.98 0.00 -2.89 3.41 0.36 -1.41 113.62 117.77 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 0.52 -3.24 4.33 6.02 0.20 -1.68 117.38 123.53 2kb2 n GLN 13 Ca 0.00 0.00 -0.01 0.00 -0.01 0.00 0.00 57.00 56.98 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 -3.11 5.09 3.14 0.64 -3.55 118.33 120.54 2kb2 n VAL 14 Ca 0.00 -0.30 -0.45 0.00 -2.96 0.00 0.00 64.34 60.64 2kb2 n VAL 14 Cb 0.00 0.50 -0.05 0.00 -1.06 0.00 0.00 33.84 33.23 2kb2 n VAL 14 CO 0.00 0.00 0.00 -1.00 -6.46 0.00 0.00 176.83 169.37 2kb2 s HIS 15 N -2.91 2.99 -0.06 1.45 0.09 -1.25 -4.73 115.29 110.88 2kb2 s HIS 15 Ca 0.18 -0.92 0.13 0.00 -0.00 0.00 0.00 55.06 54.45 2kb2 s HIS 15 Cb -0.01 -3.98 0.69 0.00 -0.00 0.00 0.00 32.58 29.27 2kb2 s HIS 15 CO 0.02 -1.28 1.29 -0.35 -0.00 0.00 0.00 174.74 174.42 2kb2 n PRO 16 N 6.35 0.09 -0.08 8.40 -0.04 -1.26 -1.69 135.00 146.76 2kb2 n PRO 16 Ca -0.09 0.55 -0.16 0.00 -0.04 0.00 0.00 63.50 63.76 2kb2 n PRO 16 Cb 0.43 -2.04 -0.12 0.00 -0.04 0.00 0.00 33.50 31.73 2kb2 n PRO 16 CO 0.00 0.00 0.00 0.22 -0.04 0.00 0.00 175.50 175.68 2kb2 h ASP 17 N 0.00 0.00 -3.79 3.54 3.58 -2.00 -3.47 116.42 114.28 2kb2 h ASP 17 Ca 0.00 -0.78 -0.46 0.00 0.42 0.00 0.00 57.03 56.21 2kb2 h ASP 17 Cb 0.52 0.00 0.17 0.00 1.72 0.00 0.00 39.33 41.74 2kb2 h ASP 17 CO 0.00 1.16 0.16 0.00 -2.88 0.00 0.00 179.24 177.68 2kb2 s ARG 18 N -2.25 0.30 1.03 0.28 1.04 -0.68 -5.05 118.95 113.62 2kb2 s ARG 18 Ca -0.22 0.71 -0.17 0.00 -1.04 0.00 0.00 55.73 55.01 2kb2 s ARG 18 Cb 0.00 -1.71 0.23 0.00 -2.04 0.00 0.00 34.95 31.43 2kb2 s ARG 18 CO 0.63 -2.87 1.27 -1.25 -0.04 0.00 0.00 175.30 173.04 2kb2 s PRO 19 N -4.82 0.09 0.96 3.89 0.05 -1.26 -4.94 135.00 128.96 2kb2 s PRO 19 Ca 0.66 -0.34 -0.14 0.00 0.05 0.00 0.00 61.00 61.23 2kb2 s PRO 19 Cb -0.20 -1.78 0.00 0.00 0.05 0.00 0.00 34.50 32.57 2kb2 s PRO 19 CO 0.59 -2.80 0.18 -2.30 0.05 0.00 0.00 177.00 172.73 2kb2 n PRO 20 N -4.05 -0.23 -3.06 0.56 -0.02 -1.26 -4.98 135.00 121.96 2kb2 n PRO 20 Ca 0.15 -0.03 -0.30 0.00 -2.02 0.00 0.00 63.50 61.30 2kb2 n PRO 20 Cb 0.59 -1.69 -0.04 0.00 -0.02 0.00 0.00 33.50 32.34 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 -2.32 4.85 -1.38 -1.45 1.01 -1.26 -4.97 120.40 114.89 2kb2 s VAL 21 Ca 0.54 0.48 -0.08 0.00 0.00 0.00 0.00 61.98 62.92 2kb2 s VAL 21 Cb -0.21 -3.71 -0.03 0.00 0.00 0.00 0.00 36.38 32.43 2kb2 s VAL 21 CO 0.70 -0.40 2.83 0.47 0.00 0.00 0.00 175.10 178.71 2kb2 n ASP 22 N -1.02 8.24 0.00 3.32 8.00 -1.26 -4.71 116.55 129.11 2kb2 n ASP 22 Ca 0.01 -2.76 0.00 0.00 0.71 0.00 0.00 54.79 52.75 2kb2 n ASP 22 Cb 0.54 -1.48 0.00 0.00 -0.02 0.00 0.00 41.12 40.16 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 2.84 0.00 -0.12 0.64 4.77 -1.26 0.14 117.00 124.01 2kb2 n LEU 23 Ca 0.70 0.00 -0.21 0.00 -0.03 0.00 0.00 56.01 56.48 2kb2 n LEU 23 Cb 0.30 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.28 2kb2 n LEU 23 CO 0.74 0.00 -1.31 0.47 -1.33 0.00 0.00 177.39 175.95 2kb2 n ASP 24 N -0.69 2.01 0.07 -1.43 8.00 -1.26 -4.22 116.55 119.03 2kb2 n ASP 24 Ca 0.00 0.04 -0.01 0.00 0.71 0.00 0.00 54.79 55.54 2kb2 n ASP 24 Cb 0.00 -0.52 -0.06 0.00 -0.02 0.00 0.00 41.12 40.52 2kb2 n ASP 24 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2kb2 h ALA 25 N -0.35 0.63 -0.44 2.24 0.00 -0.52 -2.78 119.26 118.03 2kb2 h ALA 25 Ca -0.58 -0.77 -0.09 0.00 0.00 0.00 0.00 54.91 53.47 2kb2 h ALA 25 Cb 1.72 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 19.62 2kb2 h ALA 25 CO -0.20 0.91 -0.08 1.25 0.00 0.00 0.00 179.25 181.13 2kb2 h LEU 26 N 0.00 0.84 0.07 0.00 6.46 0.10 -2.86 115.31 119.92 2kb2 h LEU 26 Ca -0.10 -0.35 -0.29 0.00 -0.12 0.00 0.00 57.88 57.02 2kb2 h LEU 26 Cb 1.57 -0.23 -0.02 0.00 -0.73 0.00 0.00 40.66 41.25 2kb2 h LEU 26 CO 0.06 1.00 -1.49 1.62 -0.62 0.00 0.00 178.44 179.01 2kb2 h VAL 27 N 0.67 1.16 0.21 1.05 3.04 -1.73 -3.31 116.25 117.34 2kb2 h VAL 27 Ca 0.11 -2.87 0.01 0.00 -1.01 0.00 0.00 66.70 62.94 2kb2 h VAL 27 Cb 0.62 2.68 -0.04 0.00 -2.01 0.00 0.00 31.29 32.54 2kb2 h VAL 27 CO 0.04 0.77 -0.45 -0.74 -1.01 0.00 0.00 177.57 176.19 2kb2 h HIS 28 N 0.04 -1.25 0.00 3.17 -0.00 -1.46 0.13 115.15 115.78 2kb2 h HIS 28 Ca -0.22 0.03 -0.00 0.00 -0.00 0.00 0.00 60.37 60.18 2kb2 h HIS 28 Cb 1.97 0.52 -0.00 0.00 -0.00 0.00 0.00 27.41 29.90 2kb2 h HIS 28 CO 0.04 -0.56 -0.01 0.00 -0.00 0.00 0.00 177.93 177.40 2kb2 h ARG 29 N -0.74 0.00 0.13 5.26 -0.00 -1.68 -2.54 114.38 114.82 2kb2 h ARG 29 Ca -0.00 0.00 -0.01 0.00 -0.50 0.00 0.00 59.98 59.47 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 -0.20 0.01 -0.06 0.00 0.00 0.00 0.00 179.97 179.72 2kb2 h ALA 30 N 1.99 -0.18 -0.83 0.04 0.00 -1.24 -3.20 119.26 115.84 2kb2 h ALA 30 Ca -0.00 -0.06 0.23 0.00 0.00 0.00 0.00 54.91 55.08 2kb2 h ALA 30 Cb 0.06 0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.88 2kb2 h ALA 30 CO 0.00 -0.17 0.59 1.03 0.00 0.00 0.00 179.25 180.70 2kb2 h SER 31 N -1.04 0.06 0.29 0.00 0.87 -0.69 0.36 113.55 113.40 2kb2 h SER 31 Ca -0.02 0.01 -0.09 0.00 -1.23 0.00 0.00 61.79 60.46 2kb2 h SER 31 Cb 0.19 -0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.13 2kb2 h SER 31 CO 0.03 0.02 -0.39 -1.28 -0.53 0.00 0.00 176.83 174.69 2kb2 h SER 32 N 0.06 0.14 0.12 6.23 0.87 -1.54 -0.97 113.55 118.45 2kb2 h SER 32 Ca 0.40 -0.05 -0.28 0.00 -1.23 0.00 0.00 61.79 60.63 2kb2 h SER 32 Cb 1.50 -0.04 -0.00 0.00 -0.44 0.00 0.00 62.40 63.42 2kb2 h SER 32 CO -0.03 0.52 -1.42 0.50 -0.53 0.00 0.00 176.83 175.86 2kb2 h LYS 33 N 0.12 0.26 -0.42 2.24 3.64 -0.37 -3.38 116.57 118.65 2kb2 h LYS 33 Ca 0.01 -0.44 -0.09 0.00 -1.27 0.00 0.00 60.65 58.86 2kb2 h LYS 33 Cb 0.74 0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 32.71 2kb2 h LYS 33 CO 0.06 1.21 -0.12 -0.91 -2.27 0.00 0.00 179.45 177.42 2kb2 h ASN 34 N -0.27 0.75 0.22 4.20 4.21 -1.05 -2.65 115.58 120.99 2kb2 h ASN 34 Ca -0.30 -0.22 0.00 0.00 1.21 0.00 0.00 56.30 56.99 2kb2 h ASN 34 Cb 1.78 -0.20 -0.04 0.00 -1.12 0.00 0.00 38.32 38.74 2kb2 h ASN 34 CO 0.07 0.89 -0.50 0.25 -1.29 0.00 0.00 177.43 176.84 2kb2 h LEU 35 N 0.69 -1.48 -1.63 1.61 5.85 -1.30 0.29 115.31 119.34 2kb2 h LEU 35 Ca 0.12 0.15 -0.03 0.00 0.84 0.00 0.00 57.88 58.95 2kb2 h LEU 35 Cb 0.59 0.53 -0.00 0.00 0.37 0.00 0.00 40.66 42.15 2kb2 h LEU 35 CO 0.04 -0.57 -0.16 1.55 -0.34 0.00 0.00 178.44 178.96 2kb2 h PRO 36 N -0.80 0.00 0.00 5.25 0.13 -1.73 -2.17 132.00 132.68 2kb2 h PRO 36 Ca -0.02 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.08 2kb2 h PRO 36 Cb 0.76 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.89 2kb2 h PRO 36 CO -0.21 0.16 -0.15 -0.07 -0.23 0.00 0.00 178.00 177.50 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 0.49 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.23 2kb2 h LEU 37 CO 0.02 0.15 0.00 0.61 -1.08 0.00 0.00 178.44 178.14 2kb2 n GLY 38 N 0.64 0.75 3.83 0.83 0.00 0.70 -4.98 105.19 106.95 2kb2 n GLY 38 Ca 0.02 0.00 -0.35 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 -2.35 4.66 0.04 -0.61 1.01 0.63 -4.71 121.20 119.87 2kb2 s ILE 39 Ca 0.00 1.10 -0.01 0.00 0.00 0.00 0.00 60.65 61.74 2kb2 s ILE 39 Cb 0.00 -3.78 -0.03 0.00 0.01 0.00 0.00 42.46 38.66 2kb2 s ILE 39 CO 0.00 0.14 -0.01 0.42 0.00 0.00 0.00 174.94 175.50 2kb2 s THR 40 N -1.59 0.16 -3.49 2.92 -4.23 -1.03 -3.96 115.64 104.41 2kb2 s THR 40 Ca 0.44 -1.34 0.00 0.00 -1.18 0.00 0.00 61.69 59.61 2kb2 s THR 40 Cb -0.15 -0.92 0.00 0.00 1.34 0.00 0.00 72.50 72.76 2kb2 s THR 40 CO 0.20 -0.74 0.00 0.61 -0.54 0.00 0.00 174.62 174.15 2kb2 n GLY 41 N 0.80 -0.52 3.31 3.99 0.00 0.29 0.64 105.19 113.70 2kb2 n GLY 41 Ca -0.19 -0.92 -0.13 0.00 0.00 0.00 0.00 46.02 44.78 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 -3.11 0.05 0.31 -0.61 2.07 -0.52 -3.54 121.20 115.86 2kb2 s ILE 42 Ca 0.00 -0.44 0.10 0.00 -1.41 0.00 0.00 60.65 58.90 2kb2 s ILE 42 Cb 0.00 -0.87 -0.05 0.00 0.13 0.00 0.00 42.46 41.67 2kb2 s ILE 42 CO 0.00 -0.24 -0.06 -0.76 -1.91 0.00 0.00 174.94 171.97 2kb2 s LEU 43 N -1.76 2.88 0.02 8.50 1.43 -0.41 -0.55 118.68 128.78 2kb2 s LEU 43 Ca -0.08 -0.98 -0.05 0.00 -1.03 0.00 0.00 54.13 52.00 2kb2 s LEU 43 Cb -0.02 -1.29 -0.01 0.00 0.03 0.00 0.00 46.19 44.90 2kb2 s LEU 43 CO 0.00 -0.13 0.08 -0.76 0.23 0.00 0.00 176.35 175.78 2kb2 s LEU 44 N -3.64 1.82 -0.14 1.79 1.02 0.21 0.11 118.68 119.85 2kb2 s LEU 44 Ca 0.33 -0.39 -0.09 0.00 0.02 0.00 0.00 54.13 54.00 2kb2 s LEU 44 Cb -0.02 0.49 0.05 0.00 0.02 0.00 0.00 46.19 46.73 2kb2 s LEU 44 CO 0.18 -0.39 0.35 0.12 0.02 0.00 0.00 176.35 176.63 2kb2 s PHE 45 N -1.78 -0.48 -0.13 0.29 5.36 -0.94 -1.65 117.98 118.64 2kb2 s PHE 45 Ca -0.12 1.07 0.01 0.00 -0.96 0.00 0.00 56.93 56.94 2kb2 s PHE 45 Cb -0.06 0.18 0.03 0.00 -0.34 0.00 0.00 43.02 42.82 2kb2 s PHE 45 CO -0.01 -0.28 0.89 0.27 -1.46 0.00 0.00 175.22 174.63 2kb2 n ASN 46 N 3.98 1.82 0.00 6.13 0.23 -1.16 0.44 115.26 126.70 2kb2 n ASN 46 Ca -0.22 -1.72 0.00 0.00 -0.53 0.00 0.00 54.58 52.11 2kb2 n ASN 46 Cb 0.55 -0.02 0.00 0.00 -2.08 0.00 0.00 39.78 38.23 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 0.92 0.00 4.83 0.00 -1.26 -4.71 105.19 104.73 2kb2 n GLY 47 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 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 -4.55 0.99 0.00 -1.26 -4.96 117.00 107.22 2kb2 n LEU 48 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 56.01 55.69 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 -0.42 -1.10 0.00 0.00 0.00 177.39 175.87 2kb2 s GLN 49 N -0.82 2.45 -0.28 1.96 -0.21 -1.26 -0.26 119.66 121.24 2kb2 s GLN 49 Ca 0.00 -0.76 -0.05 0.00 0.02 0.00 0.00 55.36 54.57 2kb2 s GLN 49 Cb 0.00 -2.42 0.02 0.00 1.00 0.00 0.00 33.01 31.60 2kb2 s GLN 49 CO 0.00 0.60 0.04 -0.06 -2.12 0.00 0.00 175.29 173.74 2kb2 s PHE 50 N -0.93 3.13 -0.16 0.91 0.08 -0.68 -2.97 117.98 117.37 2kb2 s PHE 50 Ca 0.15 -1.17 -0.05 0.00 0.12 0.00 0.00 56.93 55.98 2kb2 s PHE 50 Cb -0.11 -2.20 -0.04 0.00 -0.57 0.00 0.00 43.02 40.11 2kb2 s PHE 50 CO 0.06 -0.63 0.03 0.12 -0.10 0.00 0.00 175.22 174.69 2kb2 s PHE 51 N 1.44 3.19 -0.06 0.36 5.36 -0.66 -0.49 117.98 127.11 2kb2 s PHE 51 Ca 0.02 0.00 0.01 0.00 -0.96 0.00 0.00 56.93 56.00 2kb2 s PHE 51 Cb -0.17 -1.99 0.02 0.00 -0.34 0.00 0.00 43.02 40.54 2kb2 s PHE 51 CO 0.00 0.18 -0.05 -1.14 -1.46 0.00 0.00 175.22 172.75 2kb2 s GLN 52 N 0.11 1.05 -0.51 10.12 0.74 0.17 0.64 119.66 131.98 2kb2 s GLN 52 Ca 0.03 -0.14 -0.18 0.00 0.05 0.00 0.00 55.36 55.12 2kb2 s GLN 52 Cb -0.13 -1.08 0.07 0.00 1.10 0.00 0.00 33.01 32.97 2kb2 s GLN 52 CO 0.01 -0.13 0.54 0.08 -0.55 0.00 0.00 175.29 175.24 2kb2 s VAL 53 N 1.20 5.02 -0.10 1.34 1.01 0.29 -1.65 120.40 127.51 2kb2 s VAL 53 Ca -0.06 -0.83 -0.02 0.00 0.00 0.00 0.00 61.98 61.07 2kb2 s VAL 53 Cb -0.14 -4.26 -0.03 0.00 0.00 0.00 0.00 36.38 31.95 2kb2 s VAL 53 CO -0.02 -0.76 -0.00 -0.22 0.00 0.00 0.00 175.10 174.10 2kb2 s LEU 54 N 2.20 3.53 0.17 3.92 2.96 0.77 -1.43 118.68 130.79 2kb2 s LEU 54 Ca 0.10 0.10 0.08 0.00 -0.22 0.00 0.00 54.13 54.18 2kb2 s LEU 54 Cb -0.22 -1.81 -0.04 0.00 0.50 0.00 0.00 46.19 44.61 2kb2 s LEU 54 CO 0.09 0.34 -0.17 -1.61 -1.32 0.00 0.00 176.35 173.67 2kb2 s GLU 55 N -0.64 1.26 0.00 1.98 0.41 0.21 -0.22 118.70 121.70 2kb2 s GLU 55 Ca 0.10 -1.42 0.00 0.00 -0.41 0.00 0.00 54.97 53.24 2kb2 s GLU 55 Cb -0.12 -1.26 0.00 0.00 -1.78 0.00 0.00 34.13 30.97 2kb2 s GLU 55 CO 0.02 0.25 0.00 0.41 -0.49 0.00 0.00 175.26 175.45 2kb2 n GLY 56 N 0.21 1.21 3.71 -1.39 0.00 0.16 -2.46 105.19 106.63 2kb2 n GLY 56 Ca -0.13 -2.06 -0.42 0.00 0.00 0.00 0.00 46.02 43.41 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 -1.65 1.91 0.19 2.61 -2.24 -1.26 -0.10 114.28 113.73 2kb2 n THR 57 Ca 0.00 -0.48 0.18 0.00 -2.27 0.00 0.00 64.05 61.49 2kb2 n THR 57 Cb 0.00 -1.62 0.77 0.00 -2.10 0.00 0.00 70.33 67.38 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 2.76 0.00 -0.11 -0.78 4.81 -1.85 0.16 114.58 119.57 2kb2 h GLU 58 Ca -0.47 0.00 -0.22 0.00 -0.13 0.00 0.00 59.36 58.55 2kb2 h GLU 58 Cb 1.28 0.00 0.01 0.00 0.63 0.00 0.00 28.75 30.66 2kb2 h GLU 58 CO 0.64 0.00 -0.80 1.05 -0.73 0.00 0.00 179.01 179.17 2kb2 h GLU 59 N 0.00 0.65 0.07 1.92 4.11 -1.95 -2.64 114.58 116.74 2kb2 h GLU 59 Ca 0.12 -0.55 -0.27 0.00 0.07 0.00 0.00 59.36 58.72 2kb2 h GLU 59 Cb 0.90 0.12 0.02 0.00 0.50 0.00 0.00 28.75 30.29 2kb2 h GLU 59 CO -0.00 1.17 -1.14 0.00 0.07 0.00 0.00 179.01 179.11 2kb2 h ALA 60 N 0.67 0.11 -0.09 1.06 0.00 -1.09 -3.10 119.26 116.82 2kb2 h ALA 60 Ca -0.05 -0.75 -0.00 0.00 0.00 0.00 0.00 54.91 54.10 2kb2 h ALA 60 Cb 1.41 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 19.26 2kb2 h ALA 60 CO 0.15 0.74 0.05 -0.07 0.00 0.00 0.00 179.25 180.12 2kb2 h LEU 61 N 0.28 0.10 0.65 0.00 3.38 -1.22 0.08 115.31 118.59 2kb2 h LEU 61 Ca -0.15 -0.05 -0.03 0.00 0.09 0.00 0.00 57.88 57.74 2kb2 h LEU 61 Cb 1.80 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 42.52 2kb2 h LEU 61 CO 0.21 0.13 -0.43 -0.08 0.09 0.00 0.00 178.44 178.36 2kb2 h GLU 62 N 0.07 -0.99 -0.30 1.13 4.81 -1.57 0.19 114.58 117.93 2kb2 h GLU 62 Ca 0.03 0.07 0.06 0.00 -0.13 0.00 0.00 59.36 59.38 2kb2 h GLU 62 Cb 0.04 0.23 -0.05 0.00 0.63 0.00 0.00 28.75 29.60 2kb2 h GLU 62 CO -0.01 -0.66 -0.03 0.77 -0.73 0.00 0.00 179.01 178.35 2kb2 h SER 63 N -1.03 -0.18 0.73 1.04 0.02 -1.54 0.20 113.55 112.80 2kb2 h SER 63 Ca -0.08 0.08 -0.04 0.00 -0.84 0.00 0.00 61.79 60.91 2kb2 h SER 63 Cb 0.84 0.14 0.01 0.00 0.14 0.00 0.00 62.40 63.53 2kb2 h SER 63 CO 0.06 -0.05 -0.35 0.25 -1.14 0.00 0.00 176.83 175.60 2kb2 h LEU 64 N 0.05 -0.82 -1.71 5.07 7.12 -0.89 -0.24 115.31 123.88 2kb2 h LEU 64 Ca 0.14 0.03 0.33 0.00 0.13 0.00 0.00 57.88 58.51 2kb2 h LEU 64 Cb 0.20 0.21 -0.07 0.00 -0.53 0.00 0.00 40.66 40.48 2kb2 h LEU 64 CO -0.27 -0.58 0.80 0.15 -0.13 0.00 0.00 178.44 178.42 2kb2 h PHE 65 N -1.00 0.29 -0.06 1.25 3.57 -0.53 1.00 116.94 121.46 2kb2 h PHE 65 Ca -0.10 0.01 -0.15 0.00 3.53 0.00 0.00 57.97 61.26 2kb2 h PHE 65 Cb 0.75 -0.08 -0.01 0.00 2.79 0.00 0.00 35.95 39.39 2kb2 h PHE 65 CO 0.06 0.00 -0.62 1.03 -2.23 0.00 0.00 178.31 176.55 2kb2 h SER 66 N 0.15 0.27 0.10 0.41 0.87 -0.00 -2.59 113.55 112.76 2kb2 h SER 66 Ca 0.61 -0.16 -0.08 0.00 -1.23 0.00 0.00 61.79 60.93 2kb2 h SER 66 Cb 2.06 -0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 63.93 2kb2 h SER 66 CO -0.15 0.83 -0.27 -0.33 -0.53 0.00 0.00 176.83 176.37 2kb2 h GLU 67 N 0.17 0.28 0.69 2.24 4.39 0.28 -3.04 114.58 119.60 2kb2 h GLU 67 Ca -0.01 -0.10 -0.03 0.00 0.34 0.00 0.00 59.36 59.56 2kb2 h GLU 67 Cb 1.14 -0.02 0.01 0.00 -0.10 0.00 0.00 28.75 29.77 2kb2 h GLU 67 CO 0.10 0.54 -0.33 0.82 -1.16 0.00 0.00 179.01 178.97 2kb2 h ILE 68 N 0.25 0.29 0.00 3.13 5.03 -0.83 -2.28 117.51 123.10 2kb2 h ILE 68 Ca 0.04 -0.09 0.00 0.00 -0.12 0.00 0.00 64.86 64.69 2kb2 h ILE 68 Cb 0.62 0.32 0.00 0.00 -3.03 0.00 0.00 36.82 34.73 2kb2 h ILE 68 CO 0.04 0.01 0.00 0.00 -0.68 0.00 0.00 178.15 177.53 2kb2 n GLN 69 N -5.47 0.01 -0.33 2.37 6.02 -1.07 0.06 117.38 118.97 2kb2 n GLN 69 Ca -0.14 0.49 0.09 0.00 -0.01 0.00 0.00 57.00 57.44 2kb2 n GLN 69 Cb 0.38 -1.53 0.26 0.00 1.02 0.00 0.00 30.24 30.38 2kb2 n GLN 69 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.06 176.48 2kb2 n SER 70 N -1.55 3.24 -4.88 1.08 7.64 -0.86 -4.92 113.62 113.36 2kb2 n SER 70 Ca 0.00 -2.05 -0.34 0.00 1.01 0.00 0.00 58.87 57.50 2kb2 n SER 70 Cb 0.01 -0.41 -0.05 0.00 -1.01 0.00 0.00 64.21 62.75 2kb2 n SER 70 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 2kb2 s ASP 71 N -0.97 6.55 0.03 6.43 1.01 0.11 -5.03 116.67 124.80 2kb2 s ASP 71 Ca 0.39 0.66 0.02 0.00 0.71 0.00 0.00 52.55 54.33 2kb2 s ASP 71 Cb 0.21 -2.12 -0.25 0.00 1.01 0.00 0.00 42.92 41.77 2kb2 s ASP 71 CO 0.26 0.16 0.96 1.55 0.21 0.00 0.00 175.17 178.31 2kb2 h PRO 72 N 3.51 0.15 0.00 8.23 0.13 -1.91 -3.42 132.00 138.69 2kb2 h PRO 72 Ca -0.48 -0.26 0.00 0.00 -0.87 0.00 0.00 66.00 64.39 2kb2 h PRO 72 Cb 1.19 0.10 0.00 0.00 0.13 0.00 0.00 31.00 32.41 2kb2 h PRO 72 CO 0.68 1.00 0.00 -2.13 -0.23 0.00 0.00 178.00 177.32 2kb2 n ARG 73 N -3.37 0.00 -0.22 0.86 0.63 -1.26 -4.77 116.66 108.53 2kb2 n ARG 73 Ca -0.12 0.09 -0.15 0.00 -0.92 0.00 0.00 57.85 56.76 2kb2 n ARG 73 Cb 1.02 -0.73 0.14 0.00 0.45 0.00 0.00 32.46 33.33 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 -0.32 -3.04 -3.74 -0.14 1.44 -1.26 -3.84 115.22 104.32 2kb2 n HIS 74 Ca 0.00 -0.42 -0.06 0.00 -2.01 0.00 0.00 57.72 55.23 2kb2 n HIS 74 Cb 0.00 -0.58 -0.02 0.00 0.12 0.00 0.00 29.99 29.51 2kb2 n HIS 74 CO 0.00 0.00 0.00 -0.98 -2.81 0.00 0.00 176.34 172.55 2kb2 s ARG 75 N -4.05 1.41 -0.99 -1.40 1.70 -1.23 -4.69 118.95 109.69 2kb2 s ARG 75 Ca 0.33 -0.74 -0.04 0.00 -0.47 0.00 0.00 55.73 54.81 2kb2 s ARG 75 Cb -0.05 0.51 0.03 0.00 -0.57 0.00 0.00 34.95 34.86 2kb2 s ARG 75 CO 0.27 -0.64 0.18 -3.47 -1.08 0.00 0.00 175.30 170.55 2kb2 n ASP 76 N -0.44 -3.39 -4.77 -2.89 2.03 -1.26 0.63 116.55 106.47 2kb2 n ASP 76 Ca -0.07 0.02 -0.41 0.00 0.52 0.00 0.00 54.79 54.85 2kb2 n ASP 76 Cb 0.61 -2.87 -0.01 0.00 -0.72 0.00 0.00 41.12 38.12 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 -2.64 2.03 -0.02 5.18 0.11 -1.26 -4.55 120.40 119.25 2kb2 s VAL 77 Ca 0.15 0.03 -0.01 0.00 -2.93 0.00 0.00 61.98 59.22 2kb2 s VAL 77 Cb -0.08 -3.02 0.01 0.00 -1.53 0.00 0.00 36.38 31.76 2kb2 s VAL 77 CO 0.19 0.01 0.04 0.54 -3.33 0.00 0.00 175.10 172.54 2kb2 s VAL 78 N -0.57 -0.01 -0.28 2.04 0.11 -0.50 -4.94 120.40 116.25 2kb2 s VAL 78 Ca 0.58 0.05 -0.28 0.00 -2.93 0.00 0.00 61.98 59.40 2kb2 s VAL 78 Cb -0.47 -0.07 -0.03 0.00 -1.53 0.00 0.00 36.38 34.28 2kb2 s VAL 78 CO 0.56 0.02 2.00 -0.70 -3.33 0.00 0.00 175.10 173.65 2kb2 s GLU 79 N 0.27 3.23 0.03 1.54 2.12 -1.26 -1.99 118.70 122.64 2kb2 s GLU 79 Ca -0.02 1.71 0.10 0.00 0.36 0.00 0.00 54.97 57.11 2kb2 s GLU 79 Cb -0.03 -4.28 -0.22 0.00 0.26 0.00 0.00 34.13 29.86 2kb2 s GLU 79 CO -0.01 -1.98 0.94 -0.07 -0.54 0.00 0.00 175.26 173.60 2kb2 h LEU 80 N 14.36 0.01 -8.07 2.70 4.07 0.91 -3.48 115.31 125.81 2kb2 h LEU 80 Ca -0.37 -0.01 0.02 0.00 0.08 0.00 0.00 57.88 57.60 2kb2 h LEU 80 Cb 1.20 -0.00 -0.06 0.00 1.08 0.00 0.00 40.66 42.88 2kb2 h LEU 80 CO 1.00 1.01 0.14 -0.32 -1.08 0.00 0.00 178.44 179.19 2kb2 s MET 81 N -2.65 1.77 0.00 1.13 1.75 0.11 -4.87 119.30 116.54 2kb2 s MET 81 Ca -0.02 -1.11 0.00 0.00 -1.25 0.00 0.00 55.69 53.31 2kb2 s MET 81 Cb 0.09 0.57 0.00 0.00 2.84 0.00 0.00 34.83 38.33 2kb2 s MET 81 CO 0.82 -0.79 0.00 -2.13 -0.65 0.00 0.00 175.02 172.27 2kb2 n ARG 82 N -0.45 0.00 -4.26 4.11 0.63 -0.97 -0.69 116.66 115.04 2kb2 n ARG 82 Ca -0.04 0.00 -0.18 0.00 -0.92 0.00 0.00 57.85 56.71 2kb2 n ARG 82 Cb 0.60 0.00 -0.13 0.00 0.45 0.00 0.00 32.46 33.38 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 1.48 1.00 6.15 2.15 -0.95 -4.87 116.67 121.62 2kb2 s ASP 83 Ca 0.00 -0.48 -0.11 0.00 0.43 0.00 0.00 52.55 52.39 2kb2 s ASP 83 Cb 0.00 -0.07 0.19 0.00 -0.30 0.00 0.00 42.92 42.74 2kb2 s ASP 83 CO 0.00 -0.02 1.11 -0.31 -0.17 0.00 0.00 175.17 175.77 2kb2 s TYR 84 N -0.97 1.54 0.23 -5.34 2.02 -1.26 0.76 117.35 114.33 2kb2 s TYR 84 Ca -0.01 1.59 -0.22 0.00 -0.37 0.00 0.00 57.07 58.06 2kb2 s TYR 84 Cb -0.08 -3.26 0.04 0.00 -0.40 0.00 0.00 41.96 38.26 2kb2 s TYR 84 CO 0.01 -3.16 0.84 -1.54 -1.57 0.00 0.00 175.55 170.14 2kb2 s SER 85 N -2.63 -0.19 0.00 2.29 1.04 0.60 -4.66 113.70 110.15 2kb2 s SER 85 Ca 0.67 -0.56 0.00 0.00 0.48 0.00 0.00 55.95 56.54 2kb2 s SER 85 Cb -0.23 0.63 0.00 0.00 0.10 0.00 0.00 66.02 66.51 2kb2 s SER 85 CO 0.60 -1.17 0.56 0.00 0.98 0.00 0.00 173.24 174.21 2kb2 n ALA 86 N -0.48 1.32 -3.00 5.32 0.00 -1.26 -1.51 120.51 120.90 2kb2 n ALA 86 Ca -0.05 -0.56 -0.11 0.00 0.00 0.00 0.00 53.44 52.72 2kb2 n ALA 86 Cb 0.60 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.99 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 -0.30 -0.18 -0.16 0.00 1.13 -1.26 -4.99 117.35 111.59 2kb2 s TYR 87 Ca 0.00 -0.06 -0.04 0.00 -1.41 0.00 0.00 57.07 55.57 2kb2 s TYR 87 Cb 0.00 0.21 -0.03 0.00 -1.10 0.00 0.00 41.96 41.04 2kb2 s TYR 87 CO 0.00 -0.64 -0.03 1.03 -2.51 0.00 0.00 175.55 173.40 2kb2 s ARG 88 N -3.36 3.64 0.09 -3.49 0.52 -1.26 -4.98 118.95 110.12 2kb2 s ARG 88 Ca 0.00 -0.53 -0.10 0.00 -0.52 0.00 0.00 55.73 54.59 2kb2 s ARG 88 Cb 0.01 -2.93 -0.19 0.00 0.52 0.00 0.00 34.95 32.36 2kb2 s ARG 88 CO -0.09 0.19 1.22 0.00 0.02 0.00 0.00 175.30 176.64 2kb2 h ARG 89 N 6.88 0.55 -5.05 3.54 2.47 -1.97 -3.43 114.38 117.38 2kb2 h ARG 89 Ca -0.32 -0.63 -0.64 0.00 -1.26 0.00 0.00 59.98 57.13 2kb2 h ARG 89 Cb 1.19 0.19 -0.21 0.00 -1.65 0.00 0.00 29.97 29.48 2kb2 h ARG 89 CO 0.62 1.24 -0.62 -0.06 0.56 0.00 0.00 179.97 181.72 2kb2 s PHE 90 N -3.22 3.11 0.00 3.04 0.40 -1.26 -2.00 117.98 118.05 2kb2 s PHE 90 Ca -0.08 -0.32 0.00 0.00 -0.60 0.00 0.00 56.93 55.93 2kb2 s PHE 90 Cb 0.07 -2.18 0.00 0.00 0.51 0.00 0.00 43.02 41.42 2kb2 s PHE 90 CO 0.90 -0.23 0.00 1.58 0.70 0.00 0.00 175.22 178.17 2kb2 n HIS 91 N 4.53 0.00 0.32 0.36 -0.00 -1.26 -4.69 115.22 114.47 2kb2 n HIS 91 Ca -0.16 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.02 2kb2 n HIS 91 Cb 0.52 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.39 2kb2 n HIS 91 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 2kb2 n GLY 92 N 2.46 2.07 3.11 1.57 0.00 -1.26 -4.38 105.19 108.75 2kb2 n GLY 92 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.99 2kb2 n GLY 92 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2kb2 s THR 93 N 0.11 -0.85 0.19 2.61 2.01 -1.26 -5.02 115.64 113.41 2kb2 s THR 93 Ca 0.00 -0.21 -0.13 0.00 0.31 0.00 0.00 61.69 61.66 2kb2 s THR 93 Cb 0.00 -0.20 0.09 0.00 0.01 0.00 0.00 72.50 72.40 2kb2 s THR 93 CO 0.00 -0.13 1.83 1.23 -0.69 0.00 0.00 174.62 176.86 2kb2 h GLY 94 N 7.07 0.82 -5.16 4.40 0.00 -1.82 -3.26 103.07 105.13 2kb2 h GLY 94 Ca 0.05 -0.27 -0.07 0.00 0.00 0.00 0.00 47.33 47.03 2kb2 h GLY 94 CO 0.13 0.23 -0.06 -0.29 0.00 0.00 0.00 176.54 176.55 2kb2 s MET 95 N -6.14 0.64 -0.28 4.80 1.75 -1.25 -0.55 119.30 118.28 2kb2 s MET 95 Ca -0.13 0.84 0.00 0.00 -1.25 0.00 0.00 55.69 55.16 2kb2 s MET 95 Cb 0.14 0.27 0.16 0.00 2.84 0.00 0.00 34.83 38.23 2kb2 s MET 95 CO 0.75 -0.10 0.45 0.50 -0.65 0.00 0.00 175.02 175.97 2kb2 s ARG 96 N 0.57 0.43 0.91 4.11 3.00 -1.23 -4.56 118.95 122.17 2kb2 s ARG 96 Ca -0.02 0.44 -0.10 0.00 -1.00 0.00 0.00 55.73 55.04 2kb2 s ARG 96 Cb -0.05 -0.18 0.14 0.00 0.00 0.00 0.00 34.95 34.86 2kb2 s ARG 96 CO -0.03 -0.84 1.12 -1.50 0.00 0.00 0.00 175.30 174.05 2kb2 s ILE 97 N 2.62 2.34 -0.43 4.11 -1.16 -1.26 -1.29 121.20 126.13 2kb2 s ILE 97 Ca 0.12 0.11 0.02 0.00 -0.51 0.00 0.00 60.65 60.39 2kb2 s ILE 97 Cb -0.14 -2.25 0.14 0.00 0.61 0.00 0.00 42.46 40.83 2kb2 s ILE 97 CO -0.23 -0.14 0.26 -0.22 -2.81 0.00 0.00 174.94 171.79 2kb2 s LEU 98 N -6.51 2.20 -0.87 8.50 2.96 0.31 -4.72 118.68 120.54 2kb2 s LEU 98 Ca 0.66 -2.64 -0.26 0.00 -0.22 0.00 0.00 54.13 51.67 2kb2 s LEU 98 Cb -0.22 -0.82 -0.17 0.00 0.50 0.00 0.00 46.19 45.49 2kb2 s LEU 98 CO 0.58 -0.26 2.33 -0.62 -1.32 0.00 0.00 176.35 177.07 2kb2 s ASP 99 N 0.40 3.72 0.63 3.68 2.15 -1.26 -2.20 116.67 123.78 2kb2 s ASP 99 Ca 0.20 -0.23 0.33 0.00 0.43 0.00 0.00 52.55 53.28 2kb2 s ASP 99 Cb -0.19 -2.56 1.85 0.00 -0.30 0.00 0.00 42.92 41.71 2kb2 s ASP 99 CO -0.03 -4.17 2.13 -0.07 -0.17 0.00 0.00 175.17 172.86 2kb2 h LEU 100 N 22.64 0.00 -1.00 -1.34 3.38 -0.37 0.15 115.31 138.77 2kb2 h LEU 100 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 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 1.00 0.00 0.02 0.54 0.09 0.00 0.00 178.44 180.09 2kb2 n ARG 101 N -3.43 0.10 -0.06 1.13 1.74 -1.25 -1.52 116.66 113.37 2kb2 n ARG 101 Ca -0.00 0.59 -0.22 0.00 -0.77 0.00 0.00 57.85 57.45 2kb2 n ARG 101 Cb 0.27 -1.84 -0.12 0.00 -1.02 0.00 0.00 32.46 29.75 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 -2.03 2.37 0.00 0.55 4.77 0.53 -5.01 117.00 118.18 2kb2 n LEU 102 Ca -0.01 0.24 0.00 0.00 -0.03 0.00 0.00 56.01 56.21 2kb2 n LEU 102 Cb 0.04 -1.01 0.00 0.00 -2.33 0.00 0.00 43.42 40.12 2kb2 n LEU 102 CO 0.07 0.66 0.00 0.49 -1.33 0.00 0.00 177.39 177.28 2kb2 n PHE 103 N -3.83 0.00 -2.74 -1.77 3.72 -0.58 -5.06 117.46 107.20 2kb2 n PHE 103 Ca -0.37 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.03 2kb2 n PHE 103 Cb 0.91 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.45 2kb2 n PHE 103 CO 0.00 0.00 0.00 -0.85 -0.05 0.00 0.00 176.76 175.86 2kb2 n GLU 104 N 0.00 0.00 0.41 -1.08 0.28 -1.26 -4.84 120.64 114.15 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 0.00 0.10 0.00 3.84 2.02 -1.93 0.14 112.91 117.08 2kb2 h THR 105 Ca 0.00 -0.19 -0.09 0.00 0.77 0.00 0.00 66.41 66.91 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 -0.41 0.44 0.37 0.00 0.00 175.52 175.92 2kb2 h ASP 106 N -1.21 0.00 0.02 4.18 3.32 -1.98 -2.66 116.42 118.09 2kb2 h ASP 106 Ca -0.11 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 56.94 2kb2 h ASP 106 Cb 0.82 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.37 2kb2 h ASP 106 CO 0.18 0.41 -0.01 1.23 -1.72 0.00 0.00 179.24 179.33 2kb2 h GLY 107 N 3.23 -0.02 0.73 2.75 0.00 -1.93 -2.21 103.07 105.62 2kb2 h GLY 107 Ca -0.00 0.01 -0.00 0.00 0.00 0.00 0.00 47.33 47.33 2kb2 h GLY 107 CO 0.05 -0.01 0.00 0.00 0.00 0.00 0.00 176.54 176.59 2kb2 h ALA 108 N 0.33 0.04 -0.95 3.60 0.00 -0.79 -1.83 119.26 119.65 2kb2 h ALA 108 Ca -0.00 -0.15 0.14 0.00 0.00 0.00 0.00 54.91 54.90 2kb2 h ALA 108 Cb 0.60 -0.01 -0.09 0.00 0.00 0.00 0.00 17.79 18.29 2kb2 h ALA 108 CO 0.00 -0.32 0.56 1.25 0.00 0.00 0.00 179.25 180.75 2kb2 h LEU 109 N -0.23 0.77 -1.13 0.00 5.85 -1.59 0.29 115.31 119.28 2kb2 h LEU 109 Ca 0.01 0.07 0.01 0.00 0.84 0.00 0.00 57.88 58.81 2kb2 h LEU 109 Cb 0.29 -0.08 -0.05 0.00 0.37 0.00 0.00 40.66 41.20 2kb2 h LEU 109 CO 0.00 0.37 0.59 -0.33 -0.34 0.00 0.00 178.44 178.73 2kb2 h GLU 110 N 0.83 1.16 0.14 1.25 5.08 -1.12 -2.70 114.58 119.23 2kb2 h GLU 110 Ca 0.50 -0.07 0.02 0.00 -1.00 0.00 0.00 59.36 58.80 2kb2 h GLU 110 Cb 0.61 -0.26 -0.05 0.00 0.50 0.00 0.00 28.75 29.55 2kb2 h GLU 110 CO -0.31 0.76 -0.47 0.93 -1.00 0.00 0.00 179.01 178.93 2kb2 h GLU 111 N 1.19 -0.69 -0.52 2.33 4.39 0.43 0.56 114.58 122.27 2kb2 h GLU 111 Ca 0.33 0.05 0.09 0.00 0.34 0.00 0.00 59.36 60.17 2kb2 h GLU 111 Cb -0.10 0.16 -0.10 0.00 -0.10 0.00 0.00 28.75 28.60 2kb2 h GLU 111 CO -0.08 -0.46 -0.38 0.82 -1.16 0.00 0.00 179.01 177.75 2kb2 h ILE 112 N -0.72 0.15 -0.89 3.13 5.03 -1.19 0.13 117.51 123.15 2kb2 h ILE 112 Ca 0.01 0.00 0.15 0.00 -0.12 0.00 0.00 64.86 64.90 2kb2 h ILE 112 Cb 0.73 0.15 -0.09 0.00 -3.03 0.00 0.00 36.82 34.57 2kb2 h ILE 112 CO -0.25 0.00 0.48 -0.07 -0.68 0.00 0.00 178.15 177.63 2kb2 h LEU 113 N -0.23 0.61 -1.46 1.44 4.07 -1.12 0.34 115.31 118.96 2kb2 h LEU 113 Ca 0.19 0.09 0.09 0.00 0.08 0.00 0.00 57.88 58.33 2kb2 h LEU 113 Cb 0.56 -0.02 -0.05 0.00 1.08 0.00 0.00 40.66 42.24 2kb2 h LEU 113 CO -0.64 0.26 0.47 0.03 -1.08 0.00 0.00 178.44 177.48 2kb2 h ARG 114 N 0.68 0.59 -0.00 1.13 2.47 0.16 -2.68 114.38 116.73 2kb2 h ARG 114 Ca 0.48 -0.04 -0.03 0.00 -1.26 0.00 0.00 59.98 59.14 2kb2 h ARG 114 Cb 0.67 -0.13 -0.06 0.00 -1.65 0.00 0.00 29.97 28.79 2kb2 h ARG 114 CO -0.35 0.39 -0.59 1.97 0.56 0.00 0.00 179.97 181.95 2kb2 n PHE 115 N -4.49 0.01 -4.42 3.04 1.16 -0.13 -5.04 117.46 107.59 2kb2 n PHE 115 Ca 0.12 -1.34 -0.20 0.00 -1.87 0.00 0.00 57.45 54.15 2kb2 n PHE 115 Cb 0.33 -0.23 -0.10 0.00 -1.61 0.00 0.00 39.48 37.86 2kb2 n PHE 115 CO 0.00 0.00 0.00 -1.54 -1.87 0.00 0.00 176.76 173.35 2kb2 s SER 116 N -3.05 2.35 -0.40 5.98 1.04 1.00 -4.86 113.70 115.76 2kb2 s SER 116 Ca 0.37 -1.29 0.12 0.00 0.48 0.00 0.00 55.95 55.63 2kb2 s SER 116 Cb 0.37 -0.08 0.40 0.00 0.10 0.00 0.00 66.02 66.81 2kb2 s SER 116 CO -0.09 -0.51 0.90 0.35 0.98 0.00 0.00 173.24 174.87 2kb2 n THR 117 N -0.59 1.14 -0.54 2.02 -2.24 -0.84 -4.86 114.28 108.37 2kb2 n THR 117 Ca -0.04 -4.28 -0.04 0.00 -2.27 0.00 0.00 64.05 57.42 2kb2 n THR 117 Cb 0.65 -0.28 -0.06 0.00 -2.10 0.00 0.00 70.33 68.54 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 -0.04 0.00 0.60 4.78 -1.74 -1.26 -4.56 117.46 115.24 2kb2 n PHE 118 Ca 0.23 -0.90 0.00 0.00 -0.56 0.00 0.00 57.45 56.22 2kb2 n PHE 118 Cb 0.67 -0.84 0.00 0.00 1.52 0.00 0.00 39.48 40.84 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 2.12 1.04 2.49 4.97 0.00 -1.26 -4.84 105.19 109.72 2kb2 n GLY 119 Ca 0.15 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.93 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 0.42 0.00 0.47 1.61 0.24 -1.26 -4.94 118.33 114.86 2kb2 n VAL 120 Ca 0.00 -0.00 -0.18 0.00 -2.04 0.00 0.00 64.34 62.12 2kb2 n VAL 120 Cb 0.22 -0.77 -0.09 0.00 -1.47 0.00 0.00 33.84 31.73 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 -3.31 0.00 -2.31 3.34 2.02 -2.02 -3.44 112.91 107.19 2kb2 h THR 121 Ca -0.31 0.00 -0.06 0.00 0.77 0.00 0.00 66.41 66.81 2kb2 h THR 121 Cb 1.04 0.00 -0.26 0.00 -1.74 0.00 0.00 68.15 67.19 2kb2 h THR 121 CO 0.19 0.00 -0.33 -1.61 0.37 0.00 0.00 175.52 174.14 2kb2 s GLU 122 N -5.62 0.38 0.06 6.66 0.41 -1.26 -5.00 118.70 114.34 2kb2 s GLU 122 Ca -0.17 1.08 0.04 0.00 -0.41 0.00 0.00 54.97 55.51 2kb2 s GLU 122 Cb 0.02 0.39 0.22 0.00 -1.78 0.00 0.00 34.13 32.97 2kb2 s GLU 122 CO 0.53 -0.28 1.10 -2.30 -0.49 0.00 0.00 175.26 173.81 2kb2 n PRO 123 N 5.40 0.03 0.00 0.39 -0.02 -1.26 -3.18 135.00 136.35 2kb2 n PRO 123 Ca -0.09 0.50 0.00 0.00 -2.02 0.00 0.00 63.50 61.90 2kb2 n PRO 123 Cb 0.49 -1.61 0.00 0.00 -0.02 0.00 0.00 33.50 32.36 2kb2 n PRO 123 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 2kb2 n VAL 124 N -1.62 0.00 1.72 -1.45 0.31 -1.26 -2.24 118.33 113.80 2kb2 n VAL 124 Ca -0.00 1.40 0.00 0.00 -0.01 0.00 0.00 64.34 65.73 2kb2 n VAL 124 Cb 0.04 -2.18 0.01 0.00 -0.91 0.00 0.00 33.84 30.80 2kb2 n VAL 124 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 2kb2 n ASN 125 N -2.11 0.34 -4.55 4.52 3.02 -1.19 -4.76 115.26 110.52 2kb2 n ASN 125 Ca 0.00 -2.01 -0.39 0.00 -0.03 0.00 0.00 54.58 52.15 2kb2 n ASN 125 Cb 0.00 -0.12 -0.03 0.00 -0.61 0.00 0.00 39.78 39.02 2kb2 n ASN 125 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2kb2 s ASP 126 N -0.80 5.64 0.42 6.41 2.15 -0.95 -4.84 116.67 124.69 2kb2 s ASP 126 Ca 0.02 -0.05 0.23 0.00 0.43 0.00 0.00 52.55 53.17 2kb2 s ASP 126 Cb 0.01 -2.54 1.21 0.00 -0.30 0.00 0.00 42.92 41.30 2kb2 s ASP 126 CO 0.01 -2.17 1.75 -0.09 -0.17 0.00 0.00 175.17 174.51 2kb2 h ARG 127 N 12.81 0.28 0.40 4.34 9.65 -1.87 0.26 114.38 140.26 2kb2 h ARG 127 Ca -0.24 -0.02 -0.02 0.00 -1.10 0.00 0.00 59.98 58.60 2kb2 h ARG 127 Cb 1.11 -0.06 0.00 0.00 -1.39 0.00 0.00 29.97 29.63 2kb2 h ARG 127 CO 1.25 0.19 -0.19 1.98 2.80 0.00 0.00 179.97 185.99 2kb2 h MET 128 N 0.29 -0.52 -0.27 0.20 1.85 -1.94 -2.93 114.93 111.62 2kb2 h MET 128 Ca 0.62 0.04 0.08 0.00 -0.61 0.00 0.00 59.70 59.83 2kb2 h MET 128 Cb 1.77 0.12 -0.01 0.00 0.43 0.00 0.00 31.60 33.91 2kb2 h MET 128 CO -0.28 -0.23 0.21 0.35 -0.40 0.00 0.00 176.91 176.56 2kb2 h PHE 129 N -0.79 0.00 -0.90 1.39 3.57 -1.31 0.23 116.94 119.14 2kb2 h PHE 129 Ca -0.06 0.00 0.07 0.00 3.53 0.00 0.00 57.97 61.52 2kb2 h PHE 129 Cb 0.53 0.00 -0.07 0.00 2.79 0.00 0.00 35.95 39.21 2kb2 h PHE 129 CO 0.00 0.00 0.56 0.00 -2.23 0.00 0.00 178.31 176.64 2kb2 h ARG 130 N 0.00 0.97 0.00 1.11 2.47 -0.91 0.77 114.38 118.79 2kb2 h ARG 130 Ca 0.13 -0.06 -0.00 0.00 -1.26 0.00 0.00 59.98 58.79 2kb2 h ARG 130 Cb 0.54 -0.22 -0.00 0.00 -1.65 0.00 0.00 29.97 28.64 2kb2 h ARG 130 CO -0.00 0.64 -0.02 -0.07 0.56 0.00 0.00 179.97 181.08 2kb2 h LEU 131 N 1.00 0.00 -0.49 3.04 3.38 -1.04 -2.85 115.31 118.35 2kb2 h LEU 131 Ca 0.40 -0.96 0.09 0.00 0.09 0.00 0.00 57.88 57.50 2kb2 h LEU 131 Cb 0.22 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 40.87 2kb2 h LEU 131 CO -0.19 0.99 -0.38 0.25 0.09 0.00 0.00 178.44 179.20 2kb2 h LEU 132 N -1.00 -1.28 -1.09 1.67 5.85 -0.84 0.21 115.31 118.83 2kb2 h LEU 132 Ca -0.00 0.22 -0.00 0.00 0.84 0.00 0.00 57.88 58.93 2kb2 h LEU 132 Cb 0.97 0.59 -0.00 0.00 0.37 0.00 0.00 40.66 42.59 2kb2 h LEU 132 CO -0.00 -0.33 -0.00 0.77 -0.34 0.00 0.00 178.44 178.53 2kb2 h SER 133 N -0.24 0.00 0.60 1.25 4.64 -1.00 -1.78 113.55 117.01 2kb2 h SER 133 Ca 0.18 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 61.35 2kb2 h SER 133 Cb 0.56 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.63 2kb2 h SER 133 CO -0.62 0.00 -0.70 0.00 -0.87 0.00 0.00 176.83 174.65 2kb2 h ALA 134 N 2.00 0.82 0.01 5.18 0.00 -0.43 0.28 119.26 127.11 2kb2 h ALA 134 Ca -0.00 -0.62 -0.25 0.00 0.00 0.00 0.00 54.91 54.03 2kb2 h ALA 134 Cb 0.64 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.29 2kb2 h ALA 134 CO 0.00 0.84 -1.35 0.35 0.00 0.00 0.00 179.25 179.08 2kb2 h PHE 135 N 0.05 0.05 -0.10 0.00 3.57 -0.76 0.26 116.94 120.01 2kb2 h PHE 135 Ca -0.01 -0.04 -0.16 0.00 3.53 0.00 0.00 57.97 61.29 2kb2 h PHE 135 Cb 1.23 -0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.96 2kb2 h PHE 135 CO 0.01 1.04 -0.62 0.82 -2.23 0.00 0.00 178.31 177.34 2kb2 h ILE 136 N 0.01 1.37 0.00 1.41 5.03 -1.23 0.12 117.51 124.22 2kb2 h ILE 136 Ca -0.15 -1.97 -0.04 0.00 -0.12 0.00 0.00 64.86 62.59 2kb2 h ILE 136 Cb 1.90 1.97 -0.01 0.00 -3.03 0.00 0.00 36.82 37.65 2kb2 h ILE 136 CO 0.11 0.59 -0.50 0.00 -0.68 0.00 0.00 178.15 177.68 2kb2 h ALA 137 N 1.08 0.04 0.00 1.87 0.00 -0.50 -3.29 119.26 118.46 2kb2 h ALA 137 Ca -0.01 -0.51 -0.05 0.00 0.00 0.00 0.00 54.91 54.34 2kb2 h ALA 137 Cb 1.15 0.42 -0.01 0.00 0.00 0.00 0.00 17.79 19.34 2kb2 h ALA 137 CO 0.10 0.41 -1.99 -0.25 0.00 0.00 0.00 179.25 177.52 2kb2 n ASP 138 N -4.62 0.33 -0.33 0.00 9.92 0.81 -4.45 116.55 118.22 2kb2 n ASP 138 Ca -0.10 0.00 0.09 0.00 -0.53 0.00 0.00 54.79 54.25 2kb2 n ASP 138 Cb 0.29 1.79 0.25 0.00 -0.64 0.00 0.00 41.12 42.81 2kb2 n ASP 138 CO 0.00 0.00 0.00 1.23 0.13 0.00 0.00 177.20 178.56 2kb2 h GLY 139 N 3.73 1.57 -6.30 0.44 0.00 0.25 -2.39 103.07 100.38 2kb2 h GLY 139 Ca -0.08 -0.34 -0.81 0.00 0.00 0.00 0.00 47.33 46.11 2kb2 h GLY 139 CO 0.00 0.02 1.02 0.61 0.00 0.00 0.00 176.54 178.19 2kb2 n GLY 140 N -1.33 6.08 3.33 4.60 0.00 -1.11 -4.86 105.19 111.90 2kb2 n GLY 140 Ca 0.19 -2.59 -0.47 0.00 0.00 0.00 0.00 46.02 43.16 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 -4.23 3.53 0.47 1.61 1.81 -0.90 -5.04 118.95 116.20 2kb2 s ARG 141 Ca 0.38 -2.34 -0.19 0.00 -1.72 0.00 0.00 55.73 51.86 2kb2 s ARG 141 Cb 0.18 -4.43 -0.14 0.00 -0.45 0.00 0.00 34.95 30.11 2kb2 s ARG 141 CO -0.11 -1.32 0.08 2.48 -0.68 0.00 0.00 175.30 175.75 2kb2 n TYR 142 N 4.24 -2.15 -1.60 -0.53 4.11 -1.26 -4.91 117.16 115.06 2kb2 n TYR 142 Ca 0.11 0.53 -0.08 0.00 -0.00 0.00 0.00 57.90 58.46 2kb2 n TYR 142 Cb 0.46 -1.78 0.16 0.00 -0.00 0.00 0.00 39.34 38.18 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 1.30 -0.80 0.00 0.00 6.46 -2.05 -3.45 115.31 116.77 2kb2 h LEU 144 Ca 0.23 0.06 -0.19 0.00 -0.12 0.00 0.00 57.88 57.86 2kb2 h LEU 144 Cb 1.43 0.26 0.09 0.00 -0.73 0.00 0.00 40.66 41.71 2kb2 h LEU 144 CO 0.45 -0.45 0.10 -0.81 -0.62 0.00 0.00 178.44 177.11 2kb2 n PRO 145 N -5.43 -1.54 -1.66 5.25 -0.04 -1.26 -4.97 135.00 125.35 2kb2 n PRO 145 Ca -0.10 -0.87 -0.41 0.00 -0.04 0.00 0.00 63.50 62.08 2kb2 n PRO 145 Cb 0.33 -0.73 0.02 0.00 -0.04 0.00 0.00 33.50 33.08 2kb2 n PRO 145 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 2kb2 n GLU 146 N -2.82 1.60 -1.70 0.54 0.28 -1.26 -4.98 120.64 112.30 2kb2 n GLU 146 Ca 0.07 0.57 -0.31 0.00 -0.16 0.00 0.00 57.16 57.34 2kb2 n GLU 146 Cb 0.27 -2.25 0.04 0.00 1.43 0.00 0.00 31.44 30.93 2kb2 n GLU 146 CO 0.00 0.00 0.00 -1.25 -0.16 0.00 0.00 177.13 175.72 2kb2 s PRO 147 N -2.24 3.06 0.00 3.44 0.04 -1.26 -5.09 135.00 132.94 2kb2 s PRO 147 Ca 0.64 0.80 0.04 0.00 0.04 0.00 0.00 61.00 62.52 2kb2 s PRO 147 Cb -0.51 -2.02 0.24 0.00 0.04 0.00 0.00 34.50 32.26 2kb2 s PRO 147 CO 0.56 -0.97 0.72 1.28 0.04 0.00 0.00 177.00 178.62