#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 4.18 0.18 1.61 2.12 -1.26 -5.07 118.70 120.46 2kb2 s GLU 2 Ca 0.00 0.06 -0.28 0.00 0.36 0.00 0.00 54.97 55.12 2kb2 s GLU 2 Cb 0.00 -3.50 -0.08 0.00 0.26 0.00 0.00 34.13 30.81 2kb2 s GLU 2 CO 0.00 0.07 0.87 -0.59 -0.54 0.00 0.00 175.26 175.07 2kb2 s PHE 3 N 0.99 3.91 0.57 5.30 -0.71 -1.26 -5.07 117.98 121.72 2kb2 s PHE 3 Ca 0.16 1.77 0.09 0.00 -1.04 0.00 0.00 56.93 57.90 2kb2 s PHE 3 Cb -0.14 -2.90 0.08 0.00 -1.21 0.00 0.00 43.02 38.85 2kb2 s PHE 3 CO 0.06 0.43 0.75 -1.64 -1.34 0.00 0.00 175.22 173.47 2kb2 s MET 4 N -0.89 2.30 1.13 1.99 -1.94 -1.26 -5.02 119.30 115.60 2kb2 s MET 4 Ca 0.40 -1.69 -0.14 0.00 -1.71 0.00 0.00 55.69 52.55 2kb2 s MET 4 Cb -0.24 -2.59 0.21 0.00 2.01 0.00 0.00 34.83 34.22 2kb2 s MET 4 CO 0.29 -0.84 0.70 -0.11 -0.01 0.00 0.00 175.02 175.05 2kb2 n LEU 5 N -2.19 -1.28 -3.57 -0.03 7.94 -1.09 -4.13 117.00 112.64 2kb2 n LEU 5 Ca 0.14 -0.08 -0.13 0.00 -1.11 0.00 0.00 56.01 54.83 2kb2 n LEU 5 Cb 0.62 -1.19 -0.05 0.00 0.53 0.00 0.00 43.42 43.33 2kb2 n LEU 5 CO 0.40 -3.17 0.26 -0.89 -1.11 0.00 0.00 177.39 172.88 2kb2 s THR 6 N -2.37 0.03 -0.41 1.96 2.01 0.17 0.20 115.64 117.23 2kb2 s THR 6 Ca 0.64 -0.28 0.03 0.00 0.31 0.00 0.00 61.69 62.38 2kb2 s THR 6 Cb -0.21 -1.00 0.12 0.00 0.01 0.00 0.00 72.50 71.41 2kb2 s THR 6 CO 0.65 -0.16 0.17 -0.89 -0.69 0.00 0.00 174.62 173.71 2kb2 s THR 7 N -2.77 1.84 -0.09 -0.82 2.01 0.18 0.57 115.64 116.55 2kb2 s THR 7 Ca -0.03 -2.50 -0.17 0.00 0.31 0.00 0.00 61.69 59.29 2kb2 s THR 7 Cb -0.00 -2.32 -0.05 0.00 0.01 0.00 0.00 72.50 70.14 2kb2 s THR 7 CO -0.04 -0.76 0.45 -0.22 -0.69 0.00 0.00 174.62 173.36 2kb2 s LEU 8 N 0.54 4.32 0.04 4.42 0.20 0.89 -2.17 118.68 126.91 2kb2 s LEU 8 Ca 0.14 0.83 0.04 0.00 0.69 0.00 0.00 54.13 55.83 2kb2 s LEU 8 Cb -0.22 -2.65 -0.02 0.00 -0.43 0.00 0.00 46.19 42.87 2kb2 s LEU 8 CO -0.06 0.08 -0.13 -0.63 -0.29 0.00 0.00 176.35 175.32 2kb2 s ILE 9 N 0.22 1.03 0.24 6.68 1.01 0.03 -0.28 121.20 130.14 2kb2 s ILE 9 Ca 0.25 -0.97 -0.11 0.00 0.00 0.00 0.00 60.65 59.81 2kb2 s ILE 9 Cb -0.15 -0.95 -0.01 0.00 0.01 0.00 0.00 42.46 41.36 2kb2 s ILE 9 CO 0.10 -0.02 0.42 -0.72 0.00 0.00 0.00 174.94 174.72 2kb2 s TYR 10 N -0.86 0.48 -0.08 3.97 -0.85 -0.91 0.14 117.35 119.23 2kb2 s TYR 10 Ca 0.01 -0.82 -0.04 0.00 -0.52 0.00 0.00 57.07 55.69 2kb2 s TYR 10 Cb -0.08 0.07 0.04 0.00 0.38 0.00 0.00 41.96 42.37 2kb2 s TYR 10 CO 0.01 -0.93 0.19 -0.98 -1.52 0.00 0.00 175.55 172.32 2kb2 s ARG 11 N -4.04 0.15 0.00 -3.49 1.70 -0.94 -0.97 118.95 111.36 2kb2 s ARG 11 Ca 0.25 0.44 0.00 0.00 -0.47 0.00 0.00 55.73 55.95 2kb2 s ARG 11 Cb 0.01 -0.14 0.00 0.00 -0.57 0.00 0.00 34.95 34.25 2kb2 s ARG 11 CO 0.09 -0.16 0.00 -1.13 -1.08 0.00 0.00 175.30 173.02 2kb2 n SER 12 N 4.16 1.68 -3.50 -2.89 3.41 -0.45 -1.67 113.62 114.36 2kb2 n SER 12 Ca -0.25 -0.25 -0.18 0.00 -0.26 0.00 0.00 58.87 57.92 2kb2 n SER 12 Cb 0.53 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 64.39 2kb2 n SER 12 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2kb2 s GLN 13 N 0.26 1.68 0.30 4.33 -2.07 -1.26 -1.54 119.66 121.36 2kb2 s GLN 13 Ca 0.00 -1.97 0.01 0.00 -1.82 0.00 0.00 55.36 51.58 2kb2 s GLN 13 Cb 0.00 0.29 0.01 0.00 -1.09 0.00 0.00 33.01 32.22 2kb2 s GLN 13 CO 0.00 -0.61 0.05 1.55 -1.32 0.00 0.00 175.29 174.96 2kb2 n VAL 14 N -0.58 0.00 -3.12 3.63 3.14 0.51 -1.39 118.33 120.52 2kb2 n VAL 14 Ca 0.06 -1.35 -0.45 0.00 -2.96 0.00 0.00 64.34 59.65 2kb2 n VAL 14 Cb 0.63 0.17 -0.04 0.00 -1.06 0.00 0.00 33.84 33.54 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 -1.94 3.13 0.61 1.45 3.76 -1.26 -4.82 115.29 116.22 2kb2 s HIS 15 Ca 0.04 -1.19 0.27 0.00 -0.15 0.00 0.00 55.06 54.02 2kb2 s HIS 15 Cb -0.00 -4.03 1.21 0.00 1.11 0.00 0.00 32.58 30.87 2kb2 s HIS 15 CO 0.02 -1.28 1.63 -1.00 -0.85 0.00 0.00 174.74 173.27 2kb2 h PRO 16 N 8.92 0.00 0.07 8.40 0.13 -1.94 0.15 132.00 147.74 2kb2 h PRO 16 Ca -0.16 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.81 2kb2 h PRO 16 Cb 1.07 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.20 2kb2 h PRO 16 CO 1.05 0.00 -0.76 0.22 -0.23 0.00 0.00 178.00 178.28 2kb2 h ASP 17 N 0.00 0.24 -3.17 1.44 1.82 -2.01 -3.47 116.42 111.26 2kb2 h ASP 17 Ca 0.28 -0.88 -0.41 0.00 -0.39 0.00 0.00 57.03 55.63 2kb2 h ASP 17 Cb 1.81 -0.08 0.21 0.00 0.68 0.00 0.00 39.33 41.95 2kb2 h ASP 17 CO -0.00 1.34 -0.04 -0.13 -1.61 0.00 0.00 179.24 178.80 2kb2 s ARG 18 N -2.36 -1.78 0.83 0.28 0.52 0.54 -5.05 118.95 111.93 2kb2 s ARG 18 Ca -0.19 0.49 -0.09 0.00 -0.52 0.00 0.00 55.73 55.42 2kb2 s ARG 18 Cb 0.01 -1.48 0.15 0.00 0.52 0.00 0.00 34.95 34.15 2kb2 s ARG 18 CO 0.74 -4.21 1.16 -1.25 0.02 0.00 0.00 175.30 171.76 2kb2 s PRO 19 N -4.75 1.27 1.09 3.54 0.05 -1.26 -4.91 135.00 130.04 2kb2 s PRO 19 Ca 0.69 -0.62 -0.17 0.00 0.05 0.00 0.00 61.00 60.95 2kb2 s PRO 19 Cb -0.20 -2.07 0.12 0.00 0.05 0.00 0.00 34.50 32.41 2kb2 s PRO 19 CO 0.62 -1.88 0.25 -2.30 0.05 0.00 0.00 177.00 173.74 2kb2 n PRO 20 N -3.30 -1.47 -3.68 0.56 -0.02 -1.26 -4.95 135.00 120.88 2kb2 n PRO 20 Ca 0.14 -0.40 -0.29 0.00 -2.02 0.00 0.00 63.50 60.93 2kb2 n PRO 20 Cb 0.60 -1.81 -0.04 0.00 -0.02 0.00 0.00 33.50 32.23 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 -2.30 5.19 -1.32 -1.45 1.01 -1.26 -4.99 120.40 115.29 2kb2 s VAL 21 Ca 0.58 -0.22 -0.08 0.00 0.00 0.00 0.00 61.98 62.27 2kb2 s VAL 21 Cb -0.16 -3.69 -0.01 0.00 0.00 0.00 0.00 36.38 32.52 2kb2 s VAL 21 CO 0.66 -0.10 2.77 0.47 0.00 0.00 0.00 175.10 178.91 2kb2 n ASP 22 N -0.39 8.11 0.00 3.32 9.92 -1.26 -4.73 116.55 131.52 2kb2 n ASP 22 Ca -0.04 -2.83 0.00 0.00 -0.53 0.00 0.00 54.79 51.39 2kb2 n ASP 22 Cb 0.53 -1.45 0.00 0.00 -0.64 0.00 0.00 41.12 39.56 2kb2 n ASP 22 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 2kb2 n LEU 23 N 2.60 0.00 -0.12 0.64 4.77 -1.26 0.16 117.00 123.79 2kb2 n LEU 23 Ca 0.68 0.00 -0.19 0.00 -0.03 0.00 0.00 56.01 56.47 2kb2 n LEU 23 Cb 0.30 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.30 2kb2 n LEU 23 CO 0.71 0.00 -1.27 -0.67 -1.33 0.00 0.00 177.39 174.83 2kb2 n ASP 24 N -0.67 2.05 0.11 -1.43 -0.08 -1.26 -4.21 116.55 111.05 2kb2 n ASP 24 Ca 0.00 0.03 0.04 0.00 -1.51 0.00 0.00 54.79 53.35 2kb2 n ASP 24 Cb 0.00 -0.48 -0.00 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 -0.32 0.67 -0.28 -1.67 0.00 -0.40 -2.76 119.26 114.51 2kb2 h ALA 25 Ca -0.54 -0.49 -0.11 0.00 0.00 0.00 0.00 54.91 53.76 2kb2 h ALA 25 Cb 1.69 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 19.53 2kb2 h ALA 25 CO -0.19 0.59 -0.28 1.25 0.00 0.00 0.00 179.25 180.63 2kb2 h LEU 26 N 0.00 0.72 0.08 0.00 6.46 0.12 -2.87 115.31 119.82 2kb2 h LEU 26 Ca -0.06 -0.47 -0.27 0.00 -0.12 0.00 0.00 57.88 56.96 2kb2 h LEU 26 Cb 1.37 -0.20 -0.01 0.00 -0.73 0.00 0.00 40.66 41.08 2kb2 h LEU 26 CO 0.04 1.05 -1.34 1.62 -0.62 0.00 0.00 178.44 179.19 2kb2 h VAL 27 N 0.41 1.36 0.24 1.05 3.04 -1.73 -3.28 116.25 117.34 2kb2 h VAL 27 Ca 0.04 -3.02 0.01 0.00 -1.01 0.00 0.00 66.70 62.72 2kb2 h VAL 27 Cb 0.84 2.79 -0.03 0.00 -2.01 0.00 0.00 31.29 32.88 2kb2 h VAL 27 CO 0.07 0.84 -0.38 -0.74 -1.01 0.00 0.00 177.57 176.35 2kb2 h HIS 28 N 0.04 -1.04 -0.12 3.17 6.17 -1.50 0.69 115.15 122.56 2kb2 h HIS 28 Ca -0.16 0.02 0.04 0.00 0.71 0.00 0.00 60.37 60.97 2kb2 h HIS 28 Cb 1.94 0.42 -0.00 0.00 2.52 0.00 0.00 27.41 32.29 2kb2 h HIS 28 CO 0.04 -0.50 0.09 0.00 0.71 0.00 0.00 177.93 178.27 2kb2 h ARG 29 N -0.69 0.00 0.30 5.26 -0.00 -1.65 -2.02 114.38 115.57 2kb2 h ARG 29 Ca -0.00 0.00 -0.01 0.00 -0.50 0.00 0.00 59.98 59.46 2kb2 h ARG 29 Cb 0.67 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.64 2kb2 h ARG 29 CO -0.15 0.00 -0.14 0.00 0.00 0.00 0.00 179.97 179.68 2kb2 h ALA 30 N 1.93 -0.49 -0.55 0.04 0.00 -1.34 -2.98 119.26 115.88 2kb2 h ALA 30 Ca 0.06 -0.09 0.16 0.00 0.00 0.00 0.00 54.91 55.04 2kb2 h ALA 30 Cb 0.24 0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 2kb2 h ALA 30 CO -0.00 -0.46 0.49 1.03 0.00 0.00 0.00 179.25 180.32 2kb2 h SER 31 N -0.89 0.00 0.18 0.00 0.87 -0.82 0.15 113.55 113.04 2kb2 h SER 31 Ca -0.04 0.00 -0.18 0.00 -1.23 0.00 0.00 61.79 60.34 2kb2 h SER 31 Cb 0.31 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.26 2kb2 h SER 31 CO 0.07 0.00 -0.68 -1.28 -0.53 0.00 0.00 176.83 174.40 2kb2 h SER 32 N 0.00 0.54 0.16 6.23 0.87 -1.41 -1.78 113.55 118.16 2kb2 h SER 32 Ca 0.26 -0.33 -0.31 0.00 -1.23 0.00 0.00 61.79 60.17 2kb2 h SER 32 Cb 1.24 -0.16 0.01 0.00 -0.44 0.00 0.00 62.40 63.05 2kb2 h SER 32 CO -0.00 1.07 -1.55 0.50 -0.53 0.00 0.00 176.83 176.32 2kb2 h LYS 33 N 0.33 0.34 -0.17 2.24 3.64 -0.66 -3.36 116.57 118.93 2kb2 h LYS 33 Ca -0.02 -0.59 -0.08 0.00 -1.27 0.00 0.00 60.65 58.69 2kb2 h LYS 33 Cb 1.25 0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 33.28 2kb2 h LYS 33 CO 0.12 1.28 -0.25 -0.91 -2.27 0.00 0.00 179.45 177.43 2kb2 h ASN 34 N -0.08 0.30 0.34 4.20 4.21 -0.93 -2.69 115.58 120.92 2kb2 h ASN 34 Ca -0.31 -0.09 -0.00 0.00 1.21 0.00 0.00 56.30 57.10 2kb2 h ASN 34 Cb 1.95 -0.08 -0.03 0.00 -1.12 0.00 0.00 38.32 39.04 2kb2 h ASN 34 CO 0.14 0.55 -0.47 0.25 -1.29 0.00 0.00 177.43 176.61 2kb2 h LEU 35 N 0.27 -1.35 -1.46 1.61 5.85 -1.44 0.33 115.31 119.12 2kb2 h LEU 35 Ca 0.04 0.12 -0.03 0.00 0.84 0.00 0.00 57.88 58.85 2kb2 h LEU 35 Cb 0.59 0.47 -0.00 0.00 0.37 0.00 0.00 40.66 42.08 2kb2 h LEU 35 CO 0.04 -0.58 -0.17 1.55 -0.34 0.00 0.00 178.44 178.95 2kb2 h PRO 36 N -0.84 0.00 0.00 5.25 0.13 -1.73 -2.49 132.00 132.32 2kb2 h PRO 36 Ca -0.04 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 65.04 2kb2 h PRO 36 Cb 0.77 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.89 2kb2 h PRO 36 CO -0.13 0.17 -0.22 -0.07 -0.23 0.00 0.00 178.00 177.52 2kb2 h LEU 37 N 0.00 0.00 0.00 1.56 4.07 -1.07 -3.47 115.31 116.41 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 0.57 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.31 2kb2 h LEU 37 CO 0.02 0.22 0.00 0.61 -1.08 0.00 0.00 178.44 178.21 2kb2 n GLY 38 N 0.57 0.76 3.84 0.83 0.00 0.44 -4.96 105.19 106.67 2kb2 n GLY 38 Ca 0.01 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.19 4.75 0.04 -0.61 1.01 0.86 -4.60 121.20 120.46 2kb2 s ILE 39 Ca 0.00 0.97 -0.05 0.00 0.00 0.00 0.00 60.65 61.56 2kb2 s ILE 39 Cb 0.00 -3.76 -0.01 0.00 0.01 0.00 0.00 42.46 38.70 2kb2 s ILE 39 CO 0.00 0.17 0.09 -0.89 0.00 0.00 0.00 174.94 174.32 2kb2 s THR 40 N -1.55 0.13 -2.98 2.92 2.01 -1.10 -3.94 115.64 111.13 2kb2 s THR 40 Ca 0.42 -1.08 0.00 0.00 0.31 0.00 0.00 61.69 61.33 2kb2 s THR 40 Cb -0.15 -0.87 0.00 0.00 0.01 0.00 0.00 72.50 71.49 2kb2 s THR 40 CO 0.20 -0.60 0.00 0.61 -0.69 0.00 0.00 174.62 174.14 2kb2 n GLY 41 N 0.81 -0.54 3.31 4.40 0.00 -1.02 0.17 105.19 112.32 2kb2 n GLY 41 Ca -0.19 -0.82 -0.12 0.00 0.00 0.00 0.00 46.02 44.88 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 -3.24 0.06 0.33 -0.61 2.07 -0.67 -3.45 121.20 115.69 2kb2 s ILE 42 Ca 0.00 -0.53 0.10 0.00 -1.41 0.00 0.00 60.65 58.81 2kb2 s ILE 42 Cb 0.00 -1.00 -0.06 0.00 0.13 0.00 0.00 42.46 41.53 2kb2 s ILE 42 CO 0.00 -0.29 -0.12 -0.76 -1.91 0.00 0.00 174.94 171.86 2kb2 s LEU 43 N -2.19 2.70 0.03 8.50 1.43 -0.07 -0.39 118.68 128.68 2kb2 s LEU 43 Ca -0.03 -1.17 -0.04 0.00 -1.03 0.00 0.00 54.13 51.86 2kb2 s LEU 43 Cb -0.00 -1.01 -0.01 0.00 0.03 0.00 0.00 46.19 45.19 2kb2 s LEU 43 CO -0.05 -0.16 0.06 -0.76 0.23 0.00 0.00 176.35 175.68 2kb2 s LEU 44 N -3.59 1.91 -0.14 1.79 1.02 0.16 0.80 118.68 120.64 2kb2 s LEU 44 Ca 0.32 -0.48 -0.09 0.00 0.02 0.00 0.00 54.13 53.91 2kb2 s LEU 44 Cb 0.01 0.45 0.05 0.00 0.02 0.00 0.00 46.19 46.72 2kb2 s LEU 44 CO 0.16 -0.42 0.34 0.12 0.02 0.00 0.00 176.35 176.56 2kb2 s PHE 45 N -2.08 -0.45 -0.07 0.29 5.36 -0.72 -2.02 117.98 118.29 2kb2 s PHE 45 Ca -0.10 1.02 0.10 0.00 -0.96 0.00 0.00 56.93 56.99 2kb2 s PHE 45 Cb -0.05 0.16 0.15 0.00 -0.34 0.00 0.00 43.02 42.94 2kb2 s PHE 45 CO -0.02 -0.26 1.06 0.27 -1.46 0.00 0.00 175.22 174.81 2kb2 n ASN 46 N 3.89 2.06 0.00 6.13 0.23 -1.18 0.74 115.26 127.13 2kb2 n ASN 46 Ca -0.21 -2.53 0.00 0.00 -0.53 0.00 0.00 54.58 51.30 2kb2 n ASN 46 Cb 0.55 -0.23 0.00 0.00 -2.08 0.00 0.00 39.78 38.02 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 -0.95 0.11 2.00 4.83 0.00 -1.26 -4.76 105.19 105.16 2kb2 n GLY 47 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 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 -0.03 -5.00 0.99 -0.00 -1.26 -4.95 117.00 106.75 2kb2 n LEU 48 Ca 0.00 0.02 -0.18 0.00 -0.00 0.00 0.00 56.01 55.85 2kb2 n LEU 48 Cb 0.00 0.15 0.00 0.00 -0.00 0.00 0.00 43.42 43.57 2kb2 n LEU 48 CO 0.00 -0.50 0.11 -1.10 -0.00 0.00 0.00 177.39 175.90 2kb2 s GLN 49 N -2.00 2.90 -0.22 1.96 -0.21 -1.26 0.19 119.66 121.02 2kb2 s GLN 49 Ca 0.00 -1.19 -0.02 0.00 0.02 0.00 0.00 55.36 54.17 2kb2 s GLN 49 Cb 0.00 -2.76 0.07 0.00 1.00 0.00 0.00 33.01 31.32 2kb2 s GLN 49 CO 0.00 -0.16 0.03 -0.06 -2.12 0.00 0.00 175.29 172.98 2kb2 s PHE 50 N -2.30 1.32 -0.25 0.91 0.08 -0.59 -3.12 117.98 114.02 2kb2 s PHE 50 Ca 0.51 -1.12 -0.12 0.00 0.12 0.00 0.00 56.93 56.33 2kb2 s PHE 50 Cb -0.09 -1.20 -0.05 0.00 -0.57 0.00 0.00 43.02 41.10 2kb2 s PHE 50 CO 0.32 -0.68 0.22 0.12 -0.10 0.00 0.00 175.22 175.10 2kb2 s PHE 51 N 1.76 3.28 -0.17 0.36 5.36 -0.85 -1.35 117.98 126.37 2kb2 s PHE 51 Ca -0.00 0.26 0.01 0.00 -0.96 0.00 0.00 56.93 56.23 2kb2 s PHE 51 Cb -0.17 -2.37 0.03 0.00 -0.34 0.00 0.00 43.02 40.17 2kb2 s PHE 51 CO -0.11 -0.05 -0.11 -1.14 -1.46 0.00 0.00 175.22 172.35 2kb2 s GLN 52 N 1.42 2.09 -0.65 10.12 0.74 -0.15 0.36 119.66 133.60 2kb2 s GLN 52 Ca 0.09 -0.69 -0.22 0.00 0.05 0.00 0.00 55.36 54.59 2kb2 s GLN 52 Cb -0.15 -2.24 0.07 0.00 1.10 0.00 0.00 33.01 31.80 2kb2 s GLN 52 CO 0.08 -0.34 0.95 0.08 -0.55 0.00 0.00 175.29 175.50 2kb2 s VAL 53 N 1.46 4.34 -0.12 1.34 1.01 0.47 -2.15 120.40 126.76 2kb2 s VAL 53 Ca 0.02 -0.36 -0.06 0.00 0.00 0.00 0.00 61.98 61.58 2kb2 s VAL 53 Cb -0.15 -4.67 -0.04 0.00 0.00 0.00 0.00 36.38 31.52 2kb2 s VAL 53 CO -0.09 -1.43 0.09 -0.22 0.00 0.00 0.00 175.10 173.45 2kb2 s LEU 54 N 4.01 4.09 0.25 3.92 2.96 0.62 -1.66 118.68 132.87 2kb2 s LEU 54 Ca 0.22 0.32 0.05 0.00 -0.22 0.00 0.00 54.13 54.50 2kb2 s LEU 54 Cb -0.17 -1.99 -0.05 0.00 0.50 0.00 0.00 46.19 44.48 2kb2 s LEU 54 CO 0.10 0.36 -0.02 -1.61 -1.32 0.00 0.00 176.35 173.87 2kb2 s GLU 55 N -0.75 1.43 0.00 1.98 0.41 0.13 -0.08 118.70 121.82 2kb2 s GLU 55 Ca 0.13 -1.73 0.00 0.00 -0.41 0.00 0.00 54.97 52.96 2kb2 s GLU 55 Cb -0.12 -0.81 0.00 0.00 -1.78 0.00 0.00 34.13 31.42 2kb2 s GLU 55 CO 0.03 -0.06 0.00 0.41 -0.49 0.00 0.00 175.26 175.15 2kb2 n GLY 56 N -0.49 1.07 3.71 -1.39 0.00 0.19 -2.70 105.19 105.58 2kb2 n GLY 56 Ca -0.05 -2.22 -0.42 0.00 0.00 0.00 0.00 46.02 43.33 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 -1.26 1.86 0.01 2.61 -2.24 -1.26 0.45 114.28 114.45 2kb2 n THR 57 Ca 0.00 -0.47 0.22 0.00 -2.27 0.00 0.00 64.05 61.54 2kb2 n THR 57 Cb 0.00 -1.65 0.73 0.00 -2.10 0.00 0.00 70.33 67.30 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 2.87 0.00 -0.11 -0.78 4.81 -1.85 0.25 114.58 119.77 2kb2 h GLU 58 Ca -0.47 0.00 -0.16 0.00 -0.13 0.00 0.00 59.36 58.60 2kb2 h GLU 58 Cb 1.27 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.64 2kb2 h GLU 58 CO 0.65 0.00 -0.61 1.05 -0.73 0.00 0.00 179.01 179.37 2kb2 h GLU 59 N 0.00 0.39 0.13 1.92 -0.00 -1.93 -2.36 114.58 112.73 2kb2 h GLU 59 Ca 0.26 -0.27 -0.29 0.00 -0.00 0.00 0.00 59.36 59.07 2kb2 h GLU 59 Cb 1.26 0.04 0.03 0.00 -0.00 0.00 0.00 28.75 30.08 2kb2 h GLU 59 CO -0.00 0.88 -1.20 0.00 -0.00 0.00 0.00 179.01 178.69 2kb2 h ALA 60 N 1.06 -0.03 -0.15 1.06 0.00 -0.91 -3.13 119.26 117.15 2kb2 h ALA 60 Ca -0.01 -0.76 -0.00 0.00 0.00 0.00 0.00 54.91 54.14 2kb2 h ALA 60 Cb 1.14 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 19.04 2kb2 h ALA 60 CO 0.10 0.64 0.09 -0.07 0.00 0.00 0.00 179.25 180.01 2kb2 h LEU 61 N 0.19 0.18 0.86 0.00 3.38 -1.19 -0.08 115.31 118.66 2kb2 h LEU 61 Ca -0.19 -0.05 -0.04 0.00 0.09 0.00 0.00 57.88 57.69 2kb2 h LEU 61 Cb 1.89 -0.04 0.01 0.00 0.09 0.00 0.00 40.66 42.60 2kb2 h LEU 61 CO 0.23 0.17 -0.44 -0.08 0.09 0.00 0.00 178.44 178.41 2kb2 h GLU 62 N 0.16 -1.15 -0.52 1.13 4.22 -1.54 0.17 114.58 117.05 2kb2 h GLU 62 Ca 0.05 0.08 0.05 0.00 0.08 0.00 0.00 59.36 59.62 2kb2 h GLU 62 Cb 0.03 0.26 -0.05 0.00 0.50 0.00 0.00 28.75 29.50 2kb2 h GLU 62 CO -0.01 -0.77 0.26 0.77 -2.18 0.00 0.00 179.01 177.08 2kb2 h SER 63 N -1.20 0.37 0.60 1.04 0.02 -1.56 0.11 113.55 112.94 2kb2 h SER 63 Ca -0.12 0.03 -0.03 0.00 -0.84 0.00 0.00 61.79 60.83 2kb2 h SER 63 Cb 0.93 -0.04 0.01 0.00 0.14 0.00 0.00 62.40 63.44 2kb2 h SER 63 CO 0.17 0.25 -0.29 0.25 -1.14 0.00 0.00 176.83 176.08 2kb2 h LEU 64 N 0.50 -0.69 -1.93 5.07 6.46 -0.96 -2.12 115.31 121.65 2kb2 h LEU 64 Ca 0.23 0.02 0.28 0.00 -0.12 0.00 0.00 57.88 58.29 2kb2 h LEU 64 Cb 0.14 0.18 -0.04 0.00 -0.73 0.00 0.00 40.66 40.21 2kb2 h LEU 64 CO -0.16 -0.38 0.75 0.15 -0.62 0.00 0.00 178.44 178.18 2kb2 h PHE 65 N -1.03 0.00 0.00 1.25 3.57 -0.63 1.23 116.94 121.33 2kb2 h PHE 65 Ca -0.08 0.00 -0.10 0.00 3.53 0.00 0.00 57.97 61.32 2kb2 h PHE 65 Cb 0.62 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.35 2kb2 h PHE 65 CO 0.03 0.00 -0.47 1.03 -2.23 0.00 0.00 178.31 176.67 2kb2 h SER 66 N 0.00 0.00 0.81 0.41 0.87 -0.70 -2.57 113.55 112.37 2kb2 h SER 66 Ca 0.46 0.00 -0.14 0.00 -1.23 0.00 0.00 61.79 60.87 2kb2 h SER 66 Cb 1.95 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 63.89 2kb2 h SER 66 CO -0.00 0.47 -0.68 -0.33 -0.53 0.00 0.00 176.83 175.76 2kb2 h GLU 67 N 0.00 0.00 0.95 2.24 4.39 0.21 -3.24 114.58 119.14 2kb2 h GLU 67 Ca -0.00 0.00 -0.05 0.00 0.34 0.00 0.00 59.36 59.65 2kb2 h GLU 67 Cb 1.11 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.77 2kb2 h GLU 67 CO 0.06 0.68 -0.46 0.82 -1.16 0.00 0.00 179.01 178.95 2kb2 h ILE 68 N 0.00 0.01 0.00 3.13 5.03 -0.81 -2.30 117.51 122.57 2kb2 h ILE 68 Ca -0.01 -0.06 0.00 0.00 -0.12 0.00 0.00 64.86 64.68 2kb2 h ILE 68 Cb 1.27 0.01 0.00 0.00 -3.03 0.00 0.00 36.82 35.07 2kb2 h ILE 68 CO 0.09 0.00 0.03 0.00 -0.68 0.00 0.00 178.15 177.59 2kb2 n GLN 69 N -5.62 0.00 -0.48 2.37 6.02 -1.10 0.36 117.38 118.94 2kb2 n GLN 69 Ca -0.16 0.47 0.09 0.00 -0.01 0.00 0.00 57.00 57.38 2kb2 n GLN 69 Cb 0.50 -1.54 0.30 0.00 1.02 0.00 0.00 30.24 30.53 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 -1.47 3.94 -4.89 1.08 2.88 -0.87 -4.94 113.62 109.35 2kb2 n SER 70 Ca -0.00 -2.28 -0.31 0.00 -1.33 0.00 0.00 58.87 54.94 2kb2 n SER 70 Cb 0.03 -0.50 -0.05 0.00 -0.75 0.00 0.00 64.21 62.94 2kb2 n SER 70 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 2kb2 s ASP 71 N -0.87 6.55 0.01 -3.46 2.15 0.16 -5.03 116.67 116.17 2kb2 s ASP 71 Ca 0.43 0.76 0.02 0.00 0.43 0.00 0.00 52.55 54.20 2kb2 s ASP 71 Cb 0.27 -2.16 -0.25 0.00 -0.30 0.00 0.00 42.92 40.47 2kb2 s ASP 71 CO 0.23 -0.04 0.87 1.55 -0.17 0.00 0.00 175.17 177.62 2kb2 h PRO 72 N 2.55 0.15 0.00 4.34 0.13 -1.92 -3.41 132.00 133.83 2kb2 h PRO 72 Ca -0.47 -0.25 0.00 0.00 -0.87 0.00 0.00 66.00 64.41 2kb2 h PRO 72 Cb 1.17 0.09 0.00 0.00 0.13 0.00 0.00 31.00 32.39 2kb2 h PRO 72 CO 0.70 0.96 0.00 -2.13 -0.23 0.00 0.00 178.00 177.30 2kb2 n ARG 73 N -3.35 0.00 0.00 0.86 0.63 -1.26 -4.76 116.66 108.79 2kb2 n ARG 73 Ca -0.14 0.18 0.00 0.00 -0.92 0.00 0.00 57.85 56.97 2kb2 n ARG 73 Cb 1.03 -1.05 0.00 0.00 0.45 0.00 0.00 32.46 32.89 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 -0.79 -1.71 0.15 -0.14 1.44 -1.26 -4.27 115.22 108.65 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 -1.04 0.00 -2.04 -1.40 1.85 -0.49 -4.88 116.66 108.66 2kb2 n ARG 75 Ca 0.00 0.00 -0.38 0.00 -1.00 0.00 0.00 57.85 56.47 2kb2 n ARG 75 Cb 0.00 0.00 -0.01 0.00 -1.05 0.00 0.00 32.46 31.40 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 -3.18 7.56 -4.75 2.89 2.03 -1.26 -4.87 116.55 114.96 2kb2 n ASP 76 Ca 0.00 -3.33 -0.41 0.00 0.52 0.00 0.00 54.79 51.57 2kb2 n ASP 76 Cb 0.00 -1.27 -0.04 0.00 -0.72 0.00 0.00 41.12 39.09 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 -2.38 3.39 -0.06 5.18 0.11 -1.26 -4.09 120.40 121.30 2kb2 s VAL 77 Ca 0.51 1.34 -0.03 0.00 -2.93 0.00 0.00 61.98 60.88 2kb2 s VAL 77 Cb 0.24 -3.85 0.03 0.00 -1.53 0.00 0.00 36.38 31.27 2kb2 s VAL 77 CO -0.15 0.29 0.13 -0.69 -3.33 0.00 0.00 175.10 171.35 2kb2 s VAL 78 N -0.88 -0.04 -0.25 2.04 1.01 -0.67 -4.92 120.40 116.69 2kb2 s VAL 78 Ca 0.47 0.15 -0.28 0.00 0.00 0.00 0.00 61.98 62.32 2kb2 s VAL 78 Cb -0.33 -0.21 -0.05 0.00 0.00 0.00 0.00 36.38 35.79 2kb2 s VAL 78 CO 0.42 0.06 2.16 -0.70 0.00 0.00 0.00 175.10 177.04 2kb2 s GLU 79 N 0.96 3.11 -0.01 2.72 2.12 -1.26 -2.21 118.70 124.13 2kb2 s GLU 79 Ca -0.07 1.91 0.04 0.00 0.36 0.00 0.00 54.97 57.20 2kb2 s GLU 79 Cb -0.10 -4.36 -0.25 0.00 0.26 0.00 0.00 34.13 29.69 2kb2 s GLU 79 CO -0.05 -2.12 0.81 -0.07 -0.54 0.00 0.00 175.26 173.29 2kb2 h LEU 80 N 15.06 0.17 -8.21 2.70 4.07 0.83 -3.48 115.31 126.45 2kb2 h LEU 80 Ca -0.39 -0.28 -0.05 0.00 0.08 0.00 0.00 57.88 57.23 2kb2 h LEU 80 Cb 1.23 -0.06 -0.08 0.00 1.08 0.00 0.00 40.66 42.83 2kb2 h LEU 80 CO 0.98 1.24 -0.05 -0.32 -1.08 0.00 0.00 178.44 179.21 2kb2 s MET 81 N -2.62 1.65 0.00 1.13 1.75 0.13 -4.89 119.30 116.45 2kb2 s MET 81 Ca -0.07 -1.26 0.00 0.00 -1.25 0.00 0.00 55.69 53.11 2kb2 s MET 81 Cb 0.08 0.50 0.00 0.00 2.84 0.00 0.00 34.83 38.25 2kb2 s MET 81 CO 0.83 -0.70 0.00 -2.13 -0.65 0.00 0.00 175.02 172.37 2kb2 n ARG 82 N -0.41 0.00 -4.28 4.11 0.63 -0.95 -0.79 116.66 114.97 2kb2 n ARG 82 Ca -0.02 0.00 -0.20 0.00 -0.92 0.00 0.00 57.85 56.71 2kb2 n ARG 82 Cb 0.61 0.00 -0.13 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 1.78 1.06 6.15 2.15 -0.92 -4.88 116.67 122.00 2kb2 s ASP 83 Ca 0.00 -0.55 -0.12 0.00 0.43 0.00 0.00 52.55 52.31 2kb2 s ASP 83 Cb 0.00 -0.09 0.22 0.00 -0.30 0.00 0.00 42.92 42.76 2kb2 s ASP 83 CO 0.00 -0.01 1.08 -0.31 -0.17 0.00 0.00 175.17 175.76 2kb2 s TYR 84 N -1.06 1.51 0.22 -5.34 2.02 -1.26 0.49 117.35 113.93 2kb2 s TYR 84 Ca 0.01 1.42 -0.17 0.00 -0.37 0.00 0.00 57.07 57.95 2kb2 s TYR 84 Cb -0.09 -3.19 0.02 0.00 -0.40 0.00 0.00 41.96 38.30 2kb2 s TYR 84 CO 0.02 -3.39 0.56 -1.12 -1.57 0.00 0.00 175.55 170.05 2kb2 s SER 85 N -2.63 -0.23 0.00 2.29 0.01 0.13 -4.64 113.70 108.63 2kb2 s SER 85 Ca 0.67 -0.59 0.00 0.00 1.31 0.00 0.00 55.95 57.35 2kb2 s SER 85 Cb -0.24 0.61 0.00 0.00 0.21 0.00 0.00 66.02 66.61 2kb2 s SER 85 CO 0.62 -1.13 0.47 0.00 0.41 0.00 0.00 173.24 173.60 2kb2 n ALA 86 N -0.38 1.39 -3.56 1.44 0.00 -1.26 -2.67 120.51 115.47 2kb2 n ALA 86 Ca -0.07 -0.47 -0.10 0.00 0.00 0.00 0.00 53.44 52.80 2kb2 n ALA 86 Cb 0.62 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 20.06 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 -0.22 0.29 0.01 0.00 1.13 -1.26 -5.00 117.35 112.31 2kb2 s TYR 87 Ca 0.00 -0.81 0.06 0.00 -1.41 0.00 0.00 57.07 54.92 2kb2 s TYR 87 Cb 0.00 0.56 -0.03 0.00 -1.10 0.00 0.00 41.96 41.39 2kb2 s TYR 87 CO 0.00 -1.36 -0.18 1.03 -2.51 0.00 0.00 175.55 172.53 2kb2 s ARG 88 N -2.92 2.17 -0.16 -3.49 1.81 -1.26 -4.95 118.95 110.15 2kb2 s ARG 88 Ca 0.19 -0.91 0.06 0.00 -1.72 0.00 0.00 55.73 53.34 2kb2 s ARG 88 Cb -0.04 -2.21 -0.14 0.00 -0.45 0.00 0.00 34.95 32.11 2kb2 s ARG 88 CO 0.12 0.56 -0.07 0.54 -0.68 0.00 0.00 175.30 175.77 2kb2 n ARG 89 N 1.81 0.98 -1.33 3.54 3.00 -1.26 -4.58 116.66 118.81 2kb2 n ARG 89 Ca -0.16 0.06 -0.25 0.00 -0.01 0.00 0.00 57.85 57.48 2kb2 n ARG 89 Cb 0.52 -1.36 0.11 0.00 0.00 0.00 0.00 32.46 31.74 2kb2 n ARG 89 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.63 178.82 2kb2 n PHE 90 N -2.81 2.72 -1.55 -1.55 3.72 -1.26 -3.69 117.46 113.04 2kb2 n PHE 90 Ca -0.28 -2.37 -0.38 0.00 -0.05 0.00 0.00 57.45 54.38 2kb2 n PHE 90 Cb 0.89 -0.97 -0.04 0.00 -0.94 0.00 0.00 39.48 38.41 2kb2 n PHE 90 CO 0.00 0.00 0.00 1.58 -0.05 0.00 0.00 176.76 178.29 2kb2 n HIS 91 N -0.97 1.44 0.00 1.38 -0.00 -1.26 -1.31 115.22 114.49 2kb2 n HIS 91 Ca 0.54 0.11 0.00 0.00 -0.00 0.00 0.00 57.72 58.37 2kb2 n HIS 91 Cb 1.01 -2.63 0.00 0.00 -0.00 0.00 0.00 29.99 28.37 2kb2 n HIS 91 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 2kb2 n GLY 92 N 6.03 0.46 2.49 1.57 0.00 -1.26 -4.98 105.19 109.50 2kb2 n GLY 92 Ca 0.38 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.12 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 -1.21 0.42 0.38 2.61 2.01 -0.42 -4.99 115.64 114.43 2kb2 s THR 93 Ca 0.00 -2.07 0.19 0.00 0.31 0.00 0.00 61.69 60.11 2kb2 s THR 93 Cb 0.00 -1.31 0.39 0.00 0.01 0.00 0.00 72.50 71.59 2kb2 s THR 93 CO 0.00 -1.03 1.71 1.23 -0.69 0.00 0.00 174.62 175.84 2kb2 h GLY 94 N 6.66 1.52 -5.58 4.40 0.00 -1.81 -2.91 103.07 105.35 2kb2 h GLY 94 Ca 0.09 -0.21 0.10 0.00 0.00 0.00 0.00 47.33 47.32 2kb2 h GLY 94 CO 0.33 -0.29 0.60 -0.29 0.00 0.00 0.00 176.54 176.89 2kb2 s MET 95 N -5.52 0.35 -0.28 4.80 1.75 -1.25 -2.42 119.30 116.73 2kb2 s MET 95 Ca -0.09 0.42 0.00 0.00 -1.25 0.00 0.00 55.69 54.77 2kb2 s MET 95 Cb 0.28 0.17 0.16 0.00 2.84 0.00 0.00 34.83 38.28 2kb2 s MET 95 CO 0.80 -0.04 0.45 0.50 -0.65 0.00 0.00 175.02 176.08 2kb2 s ARG 96 N 0.16 0.43 0.86 4.11 3.00 -1.22 -4.59 118.95 121.70 2kb2 s ARG 96 Ca 0.05 0.46 -0.10 0.00 -1.00 0.00 0.00 55.73 55.13 2kb2 s ARG 96 Cb -0.05 -0.16 0.11 0.00 0.00 0.00 0.00 34.95 34.85 2kb2 s ARG 96 CO -0.09 -0.84 1.12 -1.50 0.00 0.00 0.00 175.30 173.99 2kb2 s ILE 97 N 2.63 2.58 -0.39 4.11 -1.16 -1.26 -0.89 121.20 126.82 2kb2 s ILE 97 Ca 0.13 0.19 0.01 0.00 -0.51 0.00 0.00 60.65 60.46 2kb2 s ILE 97 Cb -0.14 -2.41 0.14 0.00 0.61 0.00 0.00 42.46 40.66 2kb2 s ILE 97 CO -0.23 -0.25 0.22 -0.22 -2.81 0.00 0.00 174.94 171.65 2kb2 s LEU 98 N -6.33 1.74 -0.90 8.50 2.96 0.24 -4.73 118.68 120.15 2kb2 s LEU 98 Ca 0.64 -2.36 -0.26 0.00 -0.22 0.00 0.00 54.13 51.94 2kb2 s LEU 98 Cb -0.20 -0.68 -0.14 0.00 0.50 0.00 0.00 46.19 45.66 2kb2 s LEU 98 CO 0.57 -0.29 2.24 -0.62 -1.32 0.00 0.00 176.35 176.93 2kb2 s ASP 99 N 0.78 4.03 0.61 3.68 -1.08 -1.26 -1.76 116.67 121.68 2kb2 s ASP 99 Ca 0.18 -0.41 0.31 0.00 -0.52 0.00 0.00 52.55 52.10 2kb2 s ASP 99 Cb -0.24 -2.57 1.75 0.00 -1.46 0.00 0.00 42.92 40.41 2kb2 s ASP 99 CO 0.00 -3.88 2.09 -0.07 0.52 0.00 0.00 175.17 173.83 2kb2 h LEU 100 N 21.53 0.00 -1.14 -1.34 3.38 -0.03 0.17 115.31 137.87 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 1.05 0.00 0.13 0.54 0.09 0.00 0.00 178.44 180.25 2kb2 n ARG 101 N -3.52 0.11 -0.09 1.13 5.12 -1.22 -1.27 116.66 116.92 2kb2 n ARG 101 Ca 0.01 0.60 -0.23 0.00 -1.93 0.00 0.00 57.85 56.30 2kb2 n ARG 101 Cb 0.33 -2.00 -0.12 0.00 -1.16 0.00 0.00 32.46 29.50 2kb2 n ARG 101 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 2kb2 n LEU 102 N -2.14 2.40 0.00 0.55 4.77 0.58 -5.01 117.00 118.14 2kb2 n LEU 102 Ca -0.01 0.20 0.00 0.00 -0.03 0.00 0.00 56.01 56.17 2kb2 n LEU 102 Cb 0.16 -0.96 0.00 0.00 -2.33 0.00 0.00 43.42 40.28 2kb2 n LEU 102 CO 0.08 0.68 0.00 0.49 -1.33 0.00 0.00 177.39 177.31 2kb2 n PHE 103 N -3.82 0.00 -2.47 -1.77 3.72 -0.39 -5.07 117.46 107.66 2kb2 n PHE 103 Ca -0.41 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 56.99 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 0.48 -1.08 0.28 -1.26 -4.84 120.64 114.21 2kb2 n GLU 104 Ca 0.00 0.00 -0.19 0.00 -0.16 0.00 0.00 57.16 56.81 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 0.08 0.00 3.84 2.02 -1.91 0.16 112.91 117.10 2kb2 h THR 105 Ca 0.00 -0.05 -0.15 0.00 0.77 0.00 0.00 66.41 66.98 2kb2 h THR 105 Cb 0.00 0.08 -0.02 0.00 -1.74 0.00 0.00 68.15 66.47 2kb2 h THR 105 CO 0.00 0.00 -0.70 -0.78 0.37 0.00 0.00 175.52 174.41 2kb2 h ASP 106 N -1.26 0.00 -0.14 4.18 1.82 -1.98 -2.72 116.42 116.32 2kb2 h ASP 106 Ca -0.12 0.00 -0.05 0.00 -0.39 0.00 0.00 57.03 56.47 2kb2 h ASP 106 Cb 0.93 0.00 -0.00 0.00 0.68 0.00 0.00 39.33 40.94 2kb2 h ASP 106 CO 0.20 0.70 -0.11 1.23 -1.61 0.00 0.00 179.24 179.66 2kb2 h GLY 107 N 3.00 0.35 0.59 -0.78 0.00 -1.92 -1.77 103.07 102.53 2kb2 h GLY 107 Ca -0.01 -0.34 -0.00 0.00 0.00 0.00 0.00 47.33 46.98 2kb2 h GLY 107 CO 0.09 0.31 -0.02 0.00 0.00 0.00 0.00 176.54 176.92 2kb2 h ALA 108 N 0.63 -0.06 -0.79 3.60 0.00 -0.75 -1.92 119.26 119.97 2kb2 h ALA 108 Ca 0.03 -0.20 0.13 0.00 0.00 0.00 0.00 54.91 54.86 2kb2 h ALA 108 Cb 0.61 0.02 -0.09 0.00 0.00 0.00 0.00 17.79 18.33 2kb2 h ALA 108 CO 0.03 -0.33 0.38 1.25 0.00 0.00 0.00 179.25 180.59 2kb2 h LEU 109 N -0.47 0.45 -0.99 0.00 5.85 -1.56 0.18 115.31 118.76 2kb2 h LEU 109 Ca -0.01 0.09 0.02 0.00 0.84 0.00 0.00 57.88 58.82 2kb2 h LEU 109 Cb 0.43 0.02 -0.05 0.00 0.37 0.00 0.00 40.66 41.42 2kb2 h LEU 109 CO 0.01 0.21 0.65 -0.33 -0.34 0.00 0.00 178.44 178.64 2kb2 h GLU 110 N 0.58 1.27 -0.11 1.25 4.39 -1.23 -2.68 114.58 118.05 2kb2 h GLU 110 Ca 0.42 -0.08 0.04 0.00 0.34 0.00 0.00 59.36 60.08 2kb2 h GLU 110 Cb 0.57 -0.29 -0.06 0.00 -0.10 0.00 0.00 28.75 28.87 2kb2 h GLU 110 CO -0.35 0.84 -0.44 0.93 -1.16 0.00 0.00 179.01 178.83 2kb2 h GLU 111 N 1.31 -0.50 -0.44 2.33 4.39 0.17 0.15 114.58 121.98 2kb2 h GLU 111 Ca 0.38 0.03 0.06 0.00 0.34 0.00 0.00 59.36 60.17 2kb2 h GLU 111 Cb -0.09 0.11 -0.09 0.00 -0.10 0.00 0.00 28.75 28.59 2kb2 h GLU 111 CO -0.10 -0.34 -0.51 0.82 -1.16 0.00 0.00 179.01 177.73 2kb2 h ILE 112 N -0.52 0.04 -0.90 3.13 5.03 -1.15 0.10 117.51 123.24 2kb2 h ILE 112 Ca 0.06 0.00 0.17 0.00 -0.12 0.00 0.00 64.86 64.98 2kb2 h ILE 112 Cb 0.64 0.04 -0.10 0.00 -3.03 0.00 0.00 36.82 34.37 2kb2 h ILE 112 CO -0.39 0.00 0.48 -0.07 -0.68 0.00 0.00 178.15 177.49 2kb2 h LEU 113 N -0.35 0.57 -1.38 1.44 4.07 -1.15 0.84 115.31 119.35 2kb2 h LEU 113 Ca 0.11 0.11 0.14 0.00 0.08 0.00 0.00 57.88 58.31 2kb2 h LEU 113 Cb 0.59 0.02 -0.06 0.00 1.08 0.00 0.00 40.66 42.28 2kb2 h LEU 113 CO -0.61 0.19 0.55 0.03 -1.08 0.00 0.00 178.44 177.52 2kb2 h ARG 114 N 0.62 0.59 0.00 1.13 3.08 0.19 -2.17 114.38 117.82 2kb2 h ARG 114 Ca 0.52 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.53 2kb2 h ARG 114 Cb 0.81 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.73 2kb2 h ARG 114 CO -0.40 0.39 -0.03 1.97 -1.07 0.00 0.00 179.97 180.84 2kb2 n PHE 115 N -4.53 0.00 -4.87 3.04 1.16 -0.02 -4.99 117.46 107.25 2kb2 n PHE 115 Ca 0.16 -0.90 -0.28 0.00 -1.87 0.00 0.00 57.45 54.56 2kb2 n PHE 115 Cb 0.48 -0.14 -0.17 0.00 -1.61 0.00 0.00 39.48 38.05 2kb2 n PHE 115 CO 0.00 0.00 0.00 0.45 -1.87 0.00 0.00 176.76 175.34 2kb2 s SER 116 N -2.61 2.36 -0.99 5.98 0.15 0.27 -4.96 113.70 113.89 2kb2 s SER 116 Ca 0.28 -0.41 -0.02 0.00 0.70 0.00 0.00 55.95 56.49 2kb2 s SER 116 Cb 0.24 -1.08 0.30 0.00 -1.71 0.00 0.00 66.02 63.77 2kb2 s SER 116 CO 0.03 0.09 1.38 0.35 1.20 0.00 0.00 173.24 176.29 2kb2 n THR 117 N 3.68 4.88 -1.51 6.45 -2.24 -1.24 -4.61 114.28 119.69 2kb2 n THR 117 Ca -0.21 -5.82 -0.39 0.00 -2.27 0.00 0.00 64.05 55.35 2kb2 n THR 117 Cb 0.52 -2.02 -0.05 0.00 -2.10 0.00 0.00 70.33 66.68 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 1.09 2.38 1.52 4.78 -1.74 -1.26 -4.64 117.46 119.59 2kb2 n PHE 118 Ca 0.28 -1.87 0.02 0.00 -0.56 0.00 0.00 57.45 55.32 2kb2 n PHE 118 Cb 0.34 -2.06 0.05 0.00 1.52 0.00 0.00 39.48 39.33 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 4.86 -0.20 3.32 4.97 0.00 -1.26 -4.90 105.19 111.99 2kb2 n GLY 119 Ca 0.49 -0.13 -0.29 0.00 0.00 0.00 0.00 46.02 46.09 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 -0.14 0.00 0.14 1.61 0.24 -1.26 -4.95 118.33 113.97 2kb2 n VAL 120 Ca 0.04 -0.29 -0.07 0.00 -2.04 0.00 0.00 64.34 61.98 2kb2 n VAL 120 Cb 0.13 -0.91 -0.04 0.00 -1.47 0.00 0.00 33.84 31.56 2kb2 n VAL 120 CO 0.00 0.00 0.00 0.74 -2.14 0.00 0.00 176.83 175.43 2kb2 h THR 121 N -2.96 0.00 -1.99 3.34 2.02 -2.03 -3.44 112.91 107.85 2kb2 h THR 121 Ca -0.52 0.00 -0.16 0.00 0.77 0.00 0.00 66.41 66.49 2kb2 h THR 121 Cb 1.30 0.00 -0.30 0.00 -1.74 0.00 0.00 68.15 67.41 2kb2 h THR 121 CO 0.38 0.00 -0.49 -1.61 0.37 0.00 0.00 175.52 174.17 2kb2 s GLU 122 N -4.10 0.33 0.00 6.66 0.41 -1.26 -5.00 118.70 115.75 2kb2 s GLU 122 Ca -0.07 0.53 0.06 0.00 -0.41 0.00 0.00 54.97 55.08 2kb2 s GLU 122 Cb 0.01 -0.51 0.32 0.00 -1.78 0.00 0.00 34.13 32.17 2kb2 s GLU 122 CO 0.23 -0.62 1.01 -0.35 -0.49 0.00 0.00 175.26 175.04 2kb2 n PRO 123 N 5.36 0.10 0.00 0.39 -0.04 -1.26 -3.61 135.00 135.95 2kb2 n PRO 123 Ca -0.04 0.19 0.00 0.00 -0.04 0.00 0.00 63.50 63.61 2kb2 n PRO 123 Cb 0.50 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.46 2kb2 n PRO 123 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 2kb2 n VAL 124 N -1.24 0.00 0.97 0.52 0.31 -1.26 -2.85 118.33 114.78 2kb2 n VAL 124 Ca 0.03 1.22 0.00 0.00 -0.01 0.00 0.00 64.34 65.59 2kb2 n VAL 124 Cb 0.04 -2.16 0.00 0.00 -0.91 0.00 0.00 33.84 30.82 2kb2 n VAL 124 CO 0.00 0.00 0.00 -0.46 -1.32 0.00 0.00 176.83 175.05 2kb2 n ASN 125 N -1.28 2.18 -4.64 4.52 0.23 -1.24 -4.80 115.26 110.24 2kb2 n ASN 125 Ca 0.00 -1.93 -0.43 0.00 -0.53 0.00 0.00 54.58 51.69 2kb2 n ASN 125 Cb 0.00 -0.48 -0.02 0.00 -2.08 0.00 0.00 39.78 37.20 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 0.62 6.86 0.23 0.53 -1.08 -1.13 -4.92 116.67 117.77 2kb2 s ASP 126 Ca 0.00 1.28 -0.07 0.00 -0.52 0.00 0.00 52.55 53.24 2kb2 s ASP 126 Cb 0.00 -2.54 0.38 0.00 -1.46 0.00 0.00 42.92 39.29 2kb2 s ASP 126 CO 0.00 -0.91 1.72 0.03 0.52 0.00 0.00 175.17 176.53 2kb2 h ARG 127 N 8.49 0.34 -0.68 4.34 2.47 -1.90 0.14 114.38 127.59 2kb2 h ARG 127 Ca -0.24 -0.02 0.01 0.00 -1.26 0.00 0.00 59.98 58.47 2kb2 h ARG 127 Cb 1.08 -0.08 -0.03 0.00 -1.65 0.00 0.00 29.97 29.29 2kb2 h ARG 127 CO 1.01 0.23 0.45 1.98 0.56 0.00 0.00 179.97 184.20 2kb2 h MET 128 N 0.35 0.89 0.00 0.04 1.85 -1.95 -1.36 114.93 114.76 2kb2 h MET 128 Ca 0.36 -0.05 -0.10 0.00 -0.61 0.00 0.00 59.70 59.30 2kb2 h MET 128 Cb 0.55 -0.20 -0.01 0.00 0.43 0.00 0.00 31.60 32.36 2kb2 h MET 128 CO -0.40 0.59 -0.49 0.35 -0.40 0.00 0.00 176.91 176.56 2kb2 h PHE 129 N 0.92 0.00 -0.73 1.39 3.57 -1.11 0.10 116.94 121.09 2kb2 h PHE 129 Ca 0.25 0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.81 2kb2 h PHE 129 Cb -0.09 0.00 -0.06 0.00 2.79 0.00 0.00 35.95 38.59 2kb2 h PHE 129 CO -0.00 0.49 0.42 0.00 -2.23 0.00 0.00 178.31 176.99 2kb2 h ARG 130 N 0.00 0.75 0.00 1.11 2.47 0.14 0.02 114.38 118.87 2kb2 h ARG 130 Ca -0.00 -0.05 -0.01 0.00 -1.26 0.00 0.00 59.98 58.66 2kb2 h ARG 130 Cb 0.99 -0.17 -0.00 0.00 -1.65 0.00 0.00 29.97 29.13 2kb2 h ARG 130 CO 0.06 0.50 -0.06 -0.07 0.56 0.00 0.00 179.97 180.96 2kb2 h LEU 131 N 0.78 0.00 -0.69 3.04 3.38 -1.48 -3.06 115.31 117.27 2kb2 h LEU 131 Ca 0.32 -0.85 0.08 0.00 0.09 0.00 0.00 57.88 57.53 2kb2 h LEU 131 Cb 0.18 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 40.82 2kb2 h LEU 131 CO -0.18 0.96 -0.51 0.25 0.09 0.00 0.00 178.44 179.05 2kb2 h LEU 132 N -1.00 -1.79 -1.14 1.67 5.85 -0.83 0.23 115.31 118.31 2kb2 h LEU 132 Ca -0.02 0.28 -0.01 0.00 0.84 0.00 0.00 57.88 58.97 2kb2 h LEU 132 Cb 0.89 0.79 -0.00 0.00 0.37 0.00 0.00 40.66 42.72 2kb2 h LEU 132 CO -0.01 -0.32 -0.07 0.77 -0.34 0.00 0.00 178.44 178.47 2kb2 h SER 133 N -0.19 0.00 0.66 1.25 4.64 -1.16 -1.48 113.55 117.27 2kb2 h SER 133 Ca 0.16 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 61.32 2kb2 h SER 133 Cb 0.53 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.60 2kb2 h SER 133 CO -0.77 0.07 -0.76 0.00 -0.87 0.00 0.00 176.83 174.50 2kb2 h ALA 134 N 1.93 0.72 0.13 5.18 0.00 -0.58 0.19 119.26 126.84 2kb2 h ALA 134 Ca -0.00 -0.67 -0.29 0.00 0.00 0.00 0.00 54.91 53.94 2kb2 h ALA 134 Cb 0.66 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.34 2kb2 h ALA 134 CO 0.01 0.90 -1.41 0.35 0.00 0.00 0.00 179.25 179.11 2kb2 h PHE 135 N 0.05 0.50 -0.18 0.00 3.57 -0.50 0.16 116.94 120.54 2kb2 h PHE 135 Ca -0.02 -0.37 -0.12 0.00 3.53 0.00 0.00 57.97 61.00 2kb2 h PHE 135 Cb 1.34 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 40.05 2kb2 h PHE 135 CO 0.01 1.35 -0.39 0.82 -2.23 0.00 0.00 178.31 177.87 2kb2 h ILE 136 N 0.08 1.30 0.00 1.41 5.03 -1.23 0.15 117.51 124.25 2kb2 h ILE 136 Ca -0.20 -1.52 -0.06 0.00 -0.12 0.00 0.00 64.86 62.97 2kb2 h ILE 136 Cb 2.01 1.60 -0.01 0.00 -3.03 0.00 0.00 36.82 37.38 2kb2 h ILE 136 CO 0.19 0.47 -0.53 0.00 -0.68 0.00 0.00 178.15 177.59 2kb2 h ALA 137 N 1.25 0.07 0.02 1.87 0.00 -0.66 -3.27 119.26 118.55 2kb2 h ALA 137 Ca 0.03 -0.58 -0.37 0.00 0.00 0.00 0.00 54.91 53.99 2kb2 h ALA 137 Cb 0.84 0.40 -0.06 0.00 0.00 0.00 0.00 17.79 18.97 2kb2 h ALA 137 CO 0.07 0.39 -2.28 -0.25 0.00 0.00 0.00 179.25 177.18 2kb2 n ASP 138 N -4.60 1.34 -2.36 0.00 9.92 0.50 -4.91 116.55 116.44 2kb2 n ASP 138 Ca -0.12 0.03 -0.10 0.00 -0.53 0.00 0.00 54.79 54.06 2kb2 n ASP 138 Cb 0.34 -0.07 -0.01 0.00 -0.64 0.00 0.00 41.12 40.74 2kb2 n ASP 138 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2kb2 n GLY 139 N 1.99 -0.38 0.00 0.44 0.00 0.53 -4.52 105.19 103.25 2kb2 n GLY 139 Ca -0.36 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.69 3.52 -0.02 0.00 -1.26 -4.89 105.19 101.15 2kb2 n GLY 140 Ca -0.12 0.62 -0.37 0.00 0.00 0.00 0.00 46.02 46.15 2kb2 n GLY 140 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kb2 n ARG 141 N 0.00 -1.91 -0.95 1.61 5.12 -1.26 -4.90 116.66 114.36 2kb2 n ARG 141 Ca 0.00 1.38 -0.30 0.00 -1.93 0.00 0.00 57.85 57.00 2kb2 n ARG 141 Cb 0.00 -2.17 0.15 0.00 -1.16 0.00 0.00 32.46 29.29 2kb2 n ARG 141 CO 0.00 0.00 0.00 1.52 -1.93 0.00 0.00 177.63 177.22 2kb2 s TYR 142 N -1.64 2.00 0.00 -1.55 1.13 -1.26 -4.93 117.35 111.10 2kb2 s TYR 142 Ca 0.35 1.48 0.00 0.00 -1.41 0.00 0.00 57.07 57.49 2kb2 s TYR 142 Cb -0.04 -3.18 0.00 0.00 -1.10 0.00 0.00 41.96 37.64 2kb2 s TYR 142 CO 0.88 -2.63 0.00 0.00 -2.51 0.00 0.00 175.55 171.28 2kb2 h LEU 144 N 0.00 0.21 -9.96 0.00 4.07 -2.01 -3.44 115.31 104.18 2kb2 h LEU 144 Ca 0.00 -0.17 -0.55 0.00 0.08 0.00 0.00 57.88 57.24 2kb2 h LEU 144 Cb 0.14 -0.05 0.13 0.00 1.08 0.00 0.00 40.66 41.96 2kb2 h LEU 144 CO 0.00 0.32 0.57 -2.65 -1.08 0.00 0.00 178.44 175.60 2kb2 n PRO 145 N -4.87 1.84 -3.31 1.13 -0.02 -1.26 -5.01 135.00 123.49 2kb2 n PRO 145 Ca -0.05 0.67 -0.11 0.00 -2.02 0.00 0.00 63.50 61.99 2kb2 n PRO 145 Cb 0.12 -2.52 -0.06 0.00 -0.02 0.00 0.00 33.50 31.03 2kb2 n PRO 145 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 2kb2 s GLU 146 N -2.60 0.64 -0.35 -0.52 -6.30 -1.26 -5.11 118.70 103.20 2kb2 s GLU 146 Ca 0.67 -0.53 -0.37 0.00 -2.50 0.00 0.00 54.97 52.24 2kb2 s GLU 146 Cb -0.45 -0.45 -0.13 0.00 0.00 0.00 0.00 34.13 33.10 2kb2 s GLU 146 CO 0.53 -1.16 2.12 -2.30 0.02 0.00 0.00 175.26 174.47 2kb2 n PRO 147 N 4.50 0.98 0.00 4.30 -0.02 -1.26 -5.31 135.00 138.19 2kb2 n PRO 147 Ca 0.09 0.29 0.12 0.00 -2.02 0.00 0.00 63.50 61.98 2kb2 n PRO 147 Cb 0.49 -2.30 0.72 0.00 -0.02 0.00 0.00 33.50 32.39 2kb2 n PRO 147 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37