#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cbn n MET 1 N 0.00 -3.12 -4.18 0.00 2.81 -1.18 -4.73 117.12 106.73 2cbn n MET 1 Ca 0.00 2.50 -0.16 0.00 -1.81 0.00 0.00 57.70 58.23 2cbn n MET 1 Cb 0.00 -3.64 -0.14 0.00 -0.71 0.00 0.00 33.22 28.73 2cbn n MET 1 CO 0.00 0.00 0.00 -0.80 1.51 0.00 0.00 175.97 176.68 2cbn s ASN 2 N -0.43 0.70 -0.20 7.83 0.01 0.23 -2.41 114.94 120.67 2cbn s ASN 2 Ca -0.17 -0.15 -0.06 0.00 -0.71 0.00 0.00 52.86 51.78 2cbn s ASN 2 Cb 0.01 -0.07 -0.03 0.00 0.41 0.00 0.00 41.25 41.58 2cbn s ASN 2 CO 0.45 0.05 0.02 -0.76 -1.51 0.00 0.00 177.10 175.35 2cbn s LEU 3 N -0.27 3.42 -0.26 0.60 1.43 0.13 0.12 118.68 123.84 2cbn s LEU 3 Ca 0.01 -0.13 0.03 0.00 -1.03 0.00 0.00 54.13 53.01 2cbn s LEU 3 Cb -0.03 -1.87 0.06 0.00 0.03 0.00 0.00 46.19 44.38 2cbn s LEU 3 CO -0.00 0.08 -0.08 -0.63 0.23 0.00 0.00 176.35 175.95 2cbn s ILE 4 N 0.89 2.06 -0.07 -0.59 1.01 0.12 -0.64 121.20 123.99 2cbn s ILE 4 Ca 0.02 -1.64 -0.30 0.00 0.00 0.00 0.00 60.65 58.73 2cbn s ILE 4 Cb -0.14 -2.23 -0.03 0.00 0.01 0.00 0.00 42.46 40.06 2cbn s ILE 4 CO 0.02 -0.10 1.21 -0.36 0.00 0.00 0.00 174.94 175.71 2cbn s PHE 5 N 1.13 3.14 -0.23 3.97 0.40 -0.80 0.10 117.98 125.69 2cbn s PHE 5 Ca -0.06 1.18 0.02 0.00 -0.60 0.00 0.00 56.93 57.46 2cbn s PHE 5 Cb -0.20 -3.44 -0.19 0.00 0.51 0.00 0.00 43.02 39.70 2cbn s PHE 5 CO -0.06 -1.40 -0.10 1.28 0.70 0.00 0.00 175.22 175.64 2cbn n LEU 6 N 5.38 2.73 -3.90 -0.37 4.77 0.27 0.15 117.00 126.04 2cbn n LEU 6 Ca 0.11 -0.07 -0.13 0.00 -0.03 0.00 0.00 56.01 55.90 2cbn n LEU 6 Cb 0.46 -0.85 -0.14 0.00 -2.33 0.00 0.00 43.42 40.56 2cbn n LEU 6 CO 0.55 0.90 -0.37 -0.83 -1.33 0.00 0.00 177.39 176.31 2cbn s GLY 7 N -6.29 0.08 -0.04 -0.72 0.00 -0.55 -4.49 107.32 95.31 2cbn s GLY 7 Ca -0.31 -0.11 0.06 0.00 0.00 0.00 0.00 44.72 44.36 2cbn s GLY 7 CO 0.64 -0.11 1.04 -1.30 0.00 0.00 0.00 173.10 173.38 2cbn n THR 8 N 2.91 0.59 -4.13 0.90 -2.24 -0.31 -3.11 114.28 108.90 2cbn n THR 8 Ca -0.13 -0.71 -0.35 0.00 -2.27 0.00 0.00 64.05 60.58 2cbn n THR 8 Cb 0.59 0.28 -0.09 0.00 -2.10 0.00 0.00 70.33 69.01 2cbn n THR 8 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 2cbn s SER 9 N -1.57 5.62 0.08 3.42 0.15 0.05 -2.16 113.70 119.29 2cbn s SER 9 Ca 0.10 0.19 -0.31 0.00 0.70 0.00 0.00 55.95 56.63 2cbn s SER 9 Cb 0.09 -1.80 -0.07 0.00 -1.71 0.00 0.00 66.02 62.54 2cbn s SER 9 CO 0.01 0.31 1.29 0.00 1.20 0.00 0.00 173.24 176.05 2cbn s ALA 10 N -0.44 3.49 0.00 5.45 0.00 -0.18 -3.76 121.76 126.32 2cbn s ALA 10 Ca 0.09 0.96 0.00 0.00 0.00 0.00 0.00 51.96 53.02 2cbn s ALA 10 Cb -0.12 -3.49 0.00 0.00 0.00 0.00 0.00 23.12 19.51 2cbn s ALA 10 CO 0.02 -0.54 0.00 0.41 0.00 0.00 0.00 175.76 175.65 2cbn n GLY 11 N 3.36 0.15 3.08 0.00 0.00 -1.26 -4.46 105.19 106.05 2cbn n GLY 11 Ca 0.10 -0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.99 2cbn n GLY 11 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2cbn s VAL 12 N 0.00 0.57 0.69 1.61 0.11 -1.26 -4.45 120.40 117.68 2cbn s VAL 12 Ca 0.00 -1.19 -0.11 0.00 -2.93 0.00 0.00 61.98 57.75 2cbn s VAL 12 Cb 0.00 -0.75 0.01 0.00 -1.53 0.00 0.00 36.38 34.11 2cbn s VAL 12 CO 0.00 -0.44 1.06 -2.16 -3.33 0.00 0.00 175.10 170.23 2cbn s PRO 13 N -1.86 2.92 0.20 1.54 0.04 -1.26 -4.65 135.00 131.94 2cbn s PRO 13 Ca -0.07 0.98 0.00 0.00 0.04 0.00 0.00 61.00 61.95 2cbn s PRO 13 Cb -0.08 -1.99 -0.05 0.00 0.04 0.00 0.00 34.50 32.43 2cbn s PRO 13 CO -0.00 -1.11 0.08 0.95 0.04 0.00 0.00 177.00 176.95 2cbn s THR 14 N -3.01 0.38 0.46 1.26 -4.23 0.61 -4.99 115.64 106.11 2cbn s THR 14 Ca 0.58 -1.98 0.18 0.00 -1.18 0.00 0.00 61.69 59.29 2cbn s THR 14 Cb -0.14 -2.38 0.36 0.00 1.34 0.00 0.00 72.50 71.67 2cbn s THR 14 CO 0.54 -0.19 1.96 0.03 -0.54 0.00 0.00 174.62 176.42 2cbn h ARG 15 N 2.59 0.28 0.00 3.99 3.08 -2.01 -3.09 114.38 119.22 2cbn h ARG 15 Ca -0.37 -0.02 -0.37 0.00 0.07 0.00 0.00 59.98 59.29 2cbn h ARG 15 Cb 1.23 -0.06 -0.07 0.00 0.08 0.00 0.00 29.97 31.15 2cbn h ARG 15 CO 0.59 0.18 -2.39 0.25 -1.07 0.00 0.00 179.97 177.54 2cbn n THR 16 N -4.45 1.43 -4.69 2.04 -2.24 -1.26 -4.97 114.28 100.14 2cbn n THR 16 Ca 0.12 -0.78 -0.25 0.00 -2.27 0.00 0.00 64.05 60.86 2cbn n THR 16 Cb 0.51 -0.73 -0.16 0.00 -2.10 0.00 0.00 70.33 67.85 2cbn n THR 16 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 2cbn s ARG 17 N -2.50 1.81 0.62 -0.78 0.52 -1.17 -4.80 118.95 112.65 2cbn s ARG 17 Ca -0.16 -0.49 -0.06 0.00 -0.52 0.00 0.00 55.73 54.50 2cbn s ARG 17 Cb 0.07 -1.50 0.02 0.00 0.52 0.00 0.00 34.95 34.06 2cbn s ARG 17 CO 0.77 0.09 0.92 1.21 0.02 0.00 0.00 175.30 178.31 2cbn s ASN 18 N 0.48 5.37 1.16 0.23 2.47 -1.26 -0.29 114.94 123.09 2cbn s ASN 18 Ca -0.12 0.59 -0.15 0.00 0.42 0.00 0.00 52.86 53.60 2cbn s ASN 18 Cb -0.15 -1.49 0.27 0.00 -1.45 0.00 0.00 41.25 38.43 2cbn s ASN 18 CO 0.04 -1.21 1.05 0.68 -3.72 0.00 0.00 177.10 173.94 2cbn s VAL 19 N -3.04 1.84 0.18 -5.21 -7.23 -1.26 -0.77 120.40 104.90 2cbn s VAL 19 Ca 0.56 0.00 -0.33 0.00 -1.81 0.00 0.00 61.98 60.39 2cbn s VAL 19 Cb -0.11 -2.27 -0.14 0.00 0.56 0.00 0.00 36.38 34.43 2cbn s VAL 19 CO 0.44 0.00 1.59 0.41 -0.31 0.00 0.00 175.10 177.23 2cbn n THR 20 N -4.77 0.08 -3.37 5.32 -1.04 -1.15 -3.75 114.28 105.59 2cbn n THR 20 Ca 0.06 -0.02 0.02 0.00 -2.04 0.00 0.00 64.05 62.07 2cbn n THR 20 Cb 0.57 -1.60 -0.04 0.00 -1.82 0.00 0.00 70.33 67.43 2cbn n THR 20 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2cbn s ALA 21 N 0.86 -2.84 -0.10 2.41 0.00 -1.18 -0.54 121.76 120.37 2cbn s ALA 21 Ca 0.77 1.98 0.04 0.00 0.00 0.00 0.00 51.96 54.75 2cbn s ALA 21 Cb -0.65 -2.09 0.00 0.00 0.00 0.00 0.00 23.12 20.38 2cbn s ALA 21 CO 0.38 -0.87 -0.23 0.42 0.00 0.00 0.00 175.76 175.46 2cbn s ILE 22 N 2.15 2.01 -0.13 0.00 1.01 -0.17 -0.56 121.20 125.51 2cbn s ILE 22 Ca -0.03 -0.99 -0.08 0.00 0.00 0.00 0.00 60.65 59.55 2cbn s ILE 22 Cb -0.04 -1.75 -0.04 0.00 0.01 0.00 0.00 42.46 40.64 2cbn s ILE 22 CO -0.16 0.55 0.16 -0.76 0.00 0.00 0.00 174.94 174.73 2cbn s LEU 23 N 0.43 4.35 -0.24 2.97 1.43 0.11 0.65 118.68 128.38 2cbn s LEU 23 Ca -0.17 0.46 0.02 0.00 -1.03 0.00 0.00 54.13 53.41 2cbn s LEU 23 Cb -0.18 -2.12 0.05 0.00 0.03 0.00 0.00 46.19 43.98 2cbn s LEU 23 CO 0.07 0.35 -0.11 -0.22 0.23 0.00 0.00 176.35 176.66 2cbn s LEU 24 N -0.70 3.13 -0.31 1.79 2.96 0.22 0.15 118.68 125.93 2cbn s LEU 24 Ca 0.14 -1.26 -0.20 0.00 -0.22 0.00 0.00 54.13 52.59 2cbn s LEU 24 Cb -0.12 -1.48 -0.01 0.00 0.50 0.00 0.00 46.19 45.08 2cbn s LEU 24 CO 0.03 -0.17 0.64 0.21 -1.32 0.00 0.00 176.35 175.74 2cbn s ASN 25 N 1.17 6.50 -0.63 3.68 2.47 0.12 -0.93 114.94 127.33 2cbn s ASN 25 Ca -0.07 0.43 -0.09 0.00 0.42 0.00 0.00 52.86 53.56 2cbn s ASN 25 Cb -0.19 -2.33 0.16 0.00 -1.45 0.00 0.00 41.25 37.44 2cbn s ASN 25 CO -0.06 -0.49 0.51 -0.76 -3.72 0.00 0.00 177.10 172.58 2cbn s LEU 26 N 2.63 5.90 -0.80 3.21 1.43 -0.78 -0.60 118.68 129.67 2cbn s LEU 26 Ca 0.26 -2.43 -0.22 0.00 -1.03 0.00 0.00 54.13 50.70 2cbn s LEU 26 Cb -0.15 -2.03 0.08 0.00 0.03 0.00 0.00 46.19 44.12 2cbn s LEU 26 CO 0.12 -0.57 1.13 -1.10 0.23 0.00 0.00 176.35 176.16 2cbn s GLN 27 N 0.58 3.33 0.37 1.70 -0.21 -1.26 -2.50 119.66 121.67 2cbn s GLN 27 Ca 0.13 -1.03 0.08 0.00 0.02 0.00 0.00 55.36 54.55 2cbn s GLN 27 Cb -0.20 -4.58 -0.05 0.00 1.00 0.00 0.00 33.01 29.18 2cbn s GLN 27 CO -0.04 -1.92 0.09 -1.01 -2.12 0.00 0.00 175.29 170.29 2cbn s HIS 28 N 4.10 2.59 0.29 0.91 3.76 -1.23 -3.58 115.29 122.13 2cbn s HIS 28 Ca 0.31 -0.50 0.08 0.00 -0.15 0.00 0.00 55.06 54.80 2cbn s HIS 28 Cb -0.10 -1.70 0.44 0.00 1.11 0.00 0.00 32.58 32.33 2cbn s HIS 28 CO 0.02 0.35 1.67 -1.35 -0.85 0.00 0.00 174.74 174.59 2cbn h PRO 29 N 1.63 0.14 0.00 8.40 0.10 -2.01 -3.31 132.00 136.94 2cbn h PRO 29 Ca -0.43 -0.07 0.00 0.00 0.10 0.00 0.00 66.00 65.60 2cbn h PRO 29 Cb 1.25 0.00 0.00 0.00 0.10 0.00 0.00 31.00 32.35 2cbn h PRO 29 CO 0.68 0.60 -0.41 2.41 0.10 0.00 0.00 178.00 181.38 2cbn n THR 30 N -3.96 0.20 -2.76 -1.15 -1.04 -1.26 -4.84 114.28 99.47 2cbn n THR 30 Ca -0.02 -0.24 -0.10 0.00 -2.04 0.00 0.00 64.05 61.65 2cbn n THR 30 Cb 0.53 0.46 0.05 0.00 -1.82 0.00 0.00 70.33 69.55 2cbn n THR 30 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2cbn n GLN 31 N -0.15 1.12 -1.70 -2.82 1.13 -1.25 -5.02 117.38 108.69 2cbn n GLN 31 Ca 0.02 -2.70 -0.38 0.00 -1.94 0.00 0.00 57.00 52.00 2cbn n GLN 31 Cb 0.68 -0.93 -0.02 0.00 0.11 0.00 0.00 30.24 30.07 2cbn n GLN 31 CO 0.00 0.00 0.00 -1.13 -1.44 0.00 0.00 177.06 174.49 2cbn n SER 32 N -0.12 8.06 -4.09 1.08 3.41 -1.25 -3.52 113.62 117.19 2cbn n SER 32 Ca 0.08 -2.94 -0.16 0.00 -0.26 0.00 0.00 58.87 55.59 2cbn n SER 32 Cb 0.79 -1.42 0.03 0.00 -0.26 0.00 0.00 64.21 63.36 2cbn n SER 32 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2cbn n GLY 33 N 2.27 2.24 3.41 5.00 0.00 -1.04 -4.89 105.19 112.19 2cbn n GLY 33 Ca 0.66 -2.22 -0.31 0.00 0.00 0.00 0.00 46.02 44.15 2cbn n GLY 33 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2cbn s LEU 34 N 0.00 2.45 0.05 0.99 1.43 -1.05 -1.87 118.68 120.68 2cbn s LEU 34 Ca 0.37 -0.40 0.06 0.00 -1.03 0.00 0.00 54.13 53.13 2cbn s LEU 34 Cb -0.03 -1.46 -0.02 0.00 0.03 0.00 0.00 46.19 44.71 2cbn s LEU 34 CO 0.23 0.30 -0.17 0.26 0.23 0.00 0.00 176.35 177.20 2cbn s TRP 35 N -0.78 1.46 -0.10 0.29 0.51 -0.11 -2.21 118.94 118.00 2cbn s TRP 35 Ca 0.12 -0.37 0.02 0.00 -2.12 0.00 0.00 56.10 53.75 2cbn s TRP 35 Cb -0.10 -0.85 0.01 0.00 -0.81 0.00 0.00 33.47 31.72 2cbn s TRP 35 CO 0.02 0.07 -0.14 -1.17 -0.51 0.00 0.00 176.95 175.22 2cbn s LEU 36 N -1.26 1.66 -0.40 2.99 2.96 -0.91 0.69 118.68 124.41 2cbn s LEU 36 Ca 0.04 -0.39 -0.05 0.00 -0.22 0.00 0.00 54.13 53.51 2cbn s LEU 36 Cb -0.08 -1.01 0.09 0.00 0.50 0.00 0.00 46.19 45.69 2cbn s LEU 36 CO 0.02 0.01 0.20 -0.36 -1.32 0.00 0.00 176.35 174.90 2cbn s PHE 37 N 0.94 3.43 0.00 5.38 0.40 0.21 -0.29 117.98 128.05 2cbn s PHE 37 Ca -0.08 -1.97 0.00 0.00 -0.60 0.00 0.00 56.93 54.27 2cbn s PHE 37 Cb -0.15 -2.95 0.00 0.00 0.51 0.00 0.00 43.02 40.43 2cbn s PHE 37 CO -0.00 -0.90 0.00 -0.25 0.70 0.00 0.00 175.22 174.77 2cbn n ASP 38 N 4.73 0.00 -2.99 1.36 8.00 -0.59 -1.00 116.55 126.06 2cbn n ASP 38 Ca -0.07 0.00 -0.16 0.00 0.71 0.00 0.00 54.79 55.27 2cbn n ASP 38 Cb 0.42 0.14 -0.00 0.00 -0.02 0.00 0.00 41.12 41.66 2cbn n ASP 38 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2cbn s GLY 40 N -1.57 1.63 0.32 0.00 0.00 0.29 -3.51 107.32 104.48 2cbn s GLY 40 Ca 0.33 0.10 -0.29 0.00 0.00 0.00 0.00 44.72 44.87 2cbn s GLY 40 CO -0.14 0.59 1.26 -2.21 0.00 0.00 0.00 173.10 172.60 2cbn n GLU 41 N -4.04 1.98 -0.10 2.90 2.13 0.51 -1.46 120.64 122.57 2cbn n GLU 41 Ca 0.08 0.70 0.00 0.00 0.66 0.00 0.00 57.16 58.59 2cbn n GLU 41 Cb 0.54 -2.25 0.00 0.00 0.27 0.00 0.00 31.44 30.00 2cbn n GLU 41 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2cbn n GLY 42 N 1.06 1.36 0.17 8.31 0.00 -1.26 -4.54 105.19 110.29 2cbn n GLY 42 Ca 0.07 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.04 2cbn n GLY 42 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2cbn h THR 43 N 0.00 0.66 -0.24 2.61 2.02 -1.57 -0.46 112.91 115.92 2cbn h THR 43 Ca 0.00 -0.03 -0.00 0.00 0.77 0.00 0.00 66.41 67.15 2cbn h THR 43 Cb 0.00 0.57 -0.01 0.00 -1.74 0.00 0.00 68.15 66.96 2cbn h THR 43 CO 0.00 0.02 0.13 0.06 0.37 0.00 0.00 175.52 176.09 2cbn h GLN 44 N 0.08 0.32 -0.18 6.66 3.07 -1.84 -1.11 115.11 122.11 2cbn h GLN 44 Ca 0.21 -0.03 -0.03 0.00 0.09 0.00 0.00 58.65 58.89 2cbn h GLN 44 Cb 0.30 -0.07 -0.01 0.00 0.08 0.00 0.00 27.48 27.79 2cbn h GLN 44 CO -0.36 0.24 -0.01 0.45 0.09 0.00 0.00 178.83 179.24 2cbn h HIS 45 N 0.33 0.36 -0.82 0.06 3.86 -1.54 -1.43 115.15 115.97 2cbn h HIS 45 Ca 0.09 -0.06 0.09 0.00 -1.16 0.00 0.00 60.37 59.32 2cbn h HIS 45 Cb 0.02 -0.09 -0.07 0.00 1.06 0.00 0.00 27.41 28.32 2cbn h HIS 45 CO 0.00 0.54 0.48 0.37 0.86 0.00 0.00 177.93 180.18 2cbn h GLN 46 N 0.08 0.80 0.50 2.45 5.75 -0.56 -2.58 115.11 121.55 2cbn h GLN 46 Ca 0.05 -0.05 -0.02 0.00 -0.15 0.00 0.00 58.65 58.48 2cbn h GLN 46 Cb 0.40 -0.18 0.00 0.00 1.07 0.00 0.00 27.48 28.77 2cbn h GLN 46 CO 0.01 0.53 -0.24 1.25 -2.65 0.00 0.00 178.83 177.73 2cbn h LEU 47 N 0.82 -0.57 -1.26 -2.39 5.85 -1.00 -2.98 115.31 113.78 2cbn h LEU 47 Ca 0.39 -0.07 0.29 0.00 0.84 0.00 0.00 57.88 59.34 2cbn h LEU 47 Cb 0.32 0.15 -0.04 0.00 0.37 0.00 0.00 40.66 41.45 2cbn h LEU 47 CO -0.23 -0.24 1.12 0.25 -0.34 0.00 0.00 178.44 179.01 2cbn h LEU 48 N -0.93 0.00 -1.09 2.25 5.85 -0.87 0.86 115.31 121.38 2cbn h LEU 48 Ca -0.07 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.65 2cbn h LEU 48 Cb 0.60 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.63 2cbn h LEU 48 CO 0.11 0.00 0.00 1.41 -0.34 0.00 0.00 178.44 179.62 2cbn n HIS 49 N -3.37 0.15 -4.01 1.25 8.25 -1.10 -4.87 115.22 111.53 2cbn n HIS 49 Ca 0.23 -0.07 -0.23 0.00 -0.26 0.00 0.00 57.72 57.38 2cbn n HIS 49 Cb 1.44 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 32.49 2cbn n HIS 49 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 2cbn s THR 50 N -1.85 3.01 -0.85 1.59 -4.23 0.30 -5.03 115.64 108.58 2cbn s THR 50 Ca 0.34 -1.61 0.09 0.00 -1.18 0.00 0.00 61.69 59.33 2cbn s THR 50 Cb 0.19 -3.02 0.47 0.00 1.34 0.00 0.00 72.50 71.48 2cbn s THR 50 CO 0.29 -0.15 1.27 0.00 -0.54 0.00 0.00 174.62 175.48 2cbn n ALA 51 N -1.23 3.15 -1.78 3.99 0.00 -1.26 -4.92 120.51 118.46 2cbn n ALA 51 Ca -0.02 -1.07 -0.37 0.00 0.00 0.00 0.00 53.44 51.98 2cbn n ALA 51 Cb 0.61 -1.05 -0.05 0.00 0.00 0.00 0.00 19.45 18.96 2cbn n ALA 51 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 2cbn s PHE 52 N -1.92 3.38 -0.47 0.00 0.40 -1.26 -4.97 117.98 113.14 2cbn s PHE 52 Ca 0.32 1.67 -0.28 0.00 -0.60 0.00 0.00 56.93 58.04 2cbn s PHE 52 Cb 0.23 -3.10 0.03 0.00 0.51 0.00 0.00 43.02 40.69 2cbn s PHE 52 CO 0.12 -0.45 1.09 1.21 0.70 0.00 0.00 175.22 177.89 2cbn s ASN 53 N -1.53 6.62 0.34 1.36 3.84 -1.26 -4.88 114.94 119.43 2cbn s ASN 53 Ca 0.55 0.42 0.22 0.00 0.21 0.00 0.00 52.86 54.26 2cbn s ASN 53 Cb -0.22 -2.53 1.20 0.00 -0.55 0.00 0.00 41.25 39.15 2cbn s ASN 53 CO 0.28 -1.20 1.67 1.55 -2.79 0.00 0.00 177.10 176.61 2cbn h PRO 54 N 9.15 0.00 -0.01 0.43 0.13 -1.97 -1.92 132.00 137.82 2cbn h PRO 54 Ca -0.23 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.74 2cbn h PRO 54 Cb 1.06 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.18 2cbn h PRO 54 CO 1.10 0.00 -0.72 0.78 -0.23 0.00 0.00 178.00 178.93 2cbn h GLY 55 N 0.00 0.08 1.67 1.56 0.00 -2.00 -3.22 103.07 101.16 2cbn h GLY 55 Ca 0.00 -0.12 -0.05 0.00 0.00 0.00 0.00 47.33 47.16 2cbn h GLY 55 CO 0.00 0.11 -0.04 0.50 0.00 0.00 0.00 176.54 177.11 2cbn h LYS 56 N 0.05 0.41 -6.34 4.80 1.79 -1.73 -3.43 116.57 112.11 2cbn h LYS 56 Ca -0.01 -0.08 -0.53 0.00 -2.18 0.00 0.00 60.65 57.84 2cbn h LYS 56 Cb 1.28 -0.06 0.02 0.00 -1.58 0.00 0.00 32.23 31.89 2cbn h LYS 56 CO 0.10 0.47 1.25 -0.11 -1.08 0.00 0.00 179.45 180.08 2cbn n LEU 57 N -4.29 4.13 0.00 2.94 7.94 -1.22 -2.53 117.00 123.97 2cbn n LEU 57 Ca 0.01 0.86 0.00 0.00 -1.11 0.00 0.00 56.01 55.77 2cbn n LEU 57 Cb 0.24 -1.53 0.00 0.00 0.53 0.00 0.00 43.42 42.66 2cbn n LEU 57 CO 0.38 0.16 -0.47 -0.90 -1.11 0.00 0.00 177.39 175.45 2cbn n ASP 58 N 7.78 4.69 -4.11 1.96 5.75 -0.94 -4.90 116.55 126.78 2cbn n ASP 58 Ca 0.21 0.00 -0.21 0.00 -0.01 0.00 0.00 54.79 54.77 2cbn n ASP 58 Cb 0.41 0.83 -0.15 0.00 -1.03 0.00 0.00 41.12 41.19 2cbn n ASP 58 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 2cbn s LYS 59 N -1.89 1.04 -0.10 0.11 1.02 -1.25 -0.43 119.74 118.24 2cbn s LYS 59 Ca 0.00 -0.56 0.01 0.00 0.02 0.00 0.00 55.97 55.44 2cbn s LYS 59 Cb 0.00 -1.02 0.02 0.00 -0.52 0.00 0.00 37.83 36.31 2cbn s LYS 59 CO 0.00 0.27 -0.10 0.42 -0.92 0.00 0.00 175.35 175.02 2cbn s ILE 60 N -0.47 1.12 -0.29 2.17 1.01 0.96 -2.14 121.20 123.56 2cbn s ILE 60 Ca 0.04 -0.40 -0.06 0.00 0.00 0.00 0.00 60.65 60.24 2cbn s ILE 60 Cb -0.06 -1.08 0.02 0.00 0.01 0.00 0.00 42.46 41.35 2cbn s ILE 60 CO 0.00 0.37 0.05 -0.36 0.00 0.00 0.00 174.94 175.01 2cbn s PHE 61 N 1.26 3.15 -0.24 3.97 0.40 0.60 -0.19 117.98 126.94 2cbn s PHE 61 Ca -0.03 -1.19 -0.14 0.00 -0.60 0.00 0.00 56.93 54.97 2cbn s PHE 61 Cb -0.14 -2.21 -0.04 0.00 0.51 0.00 0.00 43.02 41.13 2cbn s PHE 61 CO -0.04 -0.64 0.31 0.42 0.70 0.00 0.00 175.22 175.98 2cbn s ILE 62 N 1.44 5.24 -0.03 0.64 1.09 0.10 -1.54 121.20 128.16 2cbn s ILE 62 Ca 0.01 0.48 -0.25 0.00 -1.10 0.00 0.00 60.65 59.79 2cbn s ILE 62 Cb -0.18 -3.64 -0.20 0.00 -1.06 0.00 0.00 42.46 37.38 2cbn s ILE 62 CO 0.01 0.25 1.23 0.77 -0.10 0.00 0.00 174.94 177.10 2cbn h SER 63 N 7.71 0.05 -5.16 3.58 4.64 -1.86 -3.38 113.55 119.13 2cbn h SER 63 Ca -0.35 -0.54 -0.05 0.00 -0.47 0.00 0.00 61.79 60.38 2cbn h SER 63 Cb 1.17 -0.01 -0.10 0.00 -0.31 0.00 0.00 62.40 63.14 2cbn h SER 63 CO 0.67 0.58 -0.08 -1.38 -0.87 0.00 0.00 176.83 175.74 2cbn s HIS 64 N -4.06 0.09 -0.73 4.77 -3.43 -1.26 -1.68 115.29 109.00 2cbn s HIS 64 Ca -0.16 -0.45 0.06 0.00 -0.80 0.00 0.00 55.06 53.71 2cbn s HIS 64 Cb 0.02 0.25 0.36 0.00 -1.43 0.00 0.00 32.58 31.77 2cbn s HIS 64 CO 0.69 -0.89 1.05 1.28 -2.00 0.00 0.00 174.74 174.87 2cbn n LEU 65 N -0.32 3.02 -4.77 5.38 4.77 -1.26 -4.61 117.00 119.21 2cbn n LEU 65 Ca -0.08 -1.53 -0.39 0.00 -0.03 0.00 0.00 56.01 53.98 2cbn n LEU 65 Cb 0.62 -0.57 -0.01 0.00 -2.33 0.00 0.00 43.42 41.14 2cbn n LEU 65 CO 0.20 0.42 0.94 -1.00 -1.33 0.00 0.00 177.39 176.61 2cbn s HIS 66 N -1.76 2.88 0.34 -1.77 3.76 -1.26 -4.74 115.29 112.74 2cbn s HIS 66 Ca 0.24 1.44 0.15 0.00 -0.15 0.00 0.00 55.06 56.74 2cbn s HIS 66 Cb 0.18 -3.61 1.11 0.00 1.11 0.00 0.00 32.58 31.37 2cbn s HIS 66 CO 0.07 -1.91 1.64 0.78 -0.85 0.00 0.00 174.74 174.47 2cbn h GLY 67 N 2.71 2.04 0.56 -2.22 0.00 -1.95 0.02 103.07 104.23 2cbn h GLY 67 Ca -0.49 -0.19 0.00 0.00 0.00 0.00 0.00 47.33 46.64 2cbn h GLY 67 CO 0.63 -0.56 0.00 2.09 0.00 0.00 0.00 176.54 178.70 2cbn n ASP 68 N -5.12 0.00 0.00 0.19 5.75 -1.26 -1.83 116.55 114.28 2cbn n ASP 68 Ca 0.32 -0.92 0.00 0.00 -0.01 0.00 0.00 54.79 54.18 2cbn n ASP 68 Cb 1.02 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 41.11 2cbn n ASP 68 CO 0.00 0.00 0.00 1.41 -0.11 0.00 0.00 177.20 178.50 2cbn n HIS 69 N -0.78 0.00 0.00 2.11 8.25 -0.06 -2.96 115.22 121.78 2cbn n HIS 69 Ca 0.09 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.55 2cbn n HIS 69 Cb 0.04 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.15 2cbn n HIS 69 CO 0.00 0.00 0.00 -0.11 0.64 0.00 0.00 176.34 176.87 2cbn n LEU 70 N -0.31 0.89 -4.71 2.41 0.00 -0.85 -0.86 117.00 113.57 2cbn n LEU 70 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 56.01 55.59 2cbn n LEU 70 Cb 0.04 0.00 -0.03 0.00 0.00 0.00 0.00 43.42 43.43 2cbn n LEU 70 CO 0.00 0.11 1.36 -0.36 0.00 0.00 0.00 177.39 178.50 2cbn s PHE 71 N -1.97 2.73 0.00 1.96 2.99 -0.76 -1.71 117.98 121.22 2cbn s PHE 71 Ca 0.00 0.33 0.00 0.00 0.00 0.00 0.00 56.93 57.26 2cbn s PHE 71 Cb 0.00 -4.08 0.00 0.00 0.00 0.00 0.00 43.02 38.94 2cbn s PHE 71 CO 0.00 -4.18 0.00 0.41 -0.00 0.00 0.00 175.22 171.45 2cbn n GLY 72 N 3.98 0.97 0.10 4.36 0.00 -1.25 0.19 105.19 113.55 2cbn n GLY 72 Ca 0.16 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.05 2cbn n GLY 72 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2cbn h LEU 73 N 0.00 0.23 -0.92 0.99 6.46 -1.37 -2.08 115.31 118.63 2cbn h LEU 73 Ca 0.00 -0.48 0.03 0.00 -0.12 0.00 0.00 57.88 57.31 2cbn h LEU 73 Cb 0.00 -0.07 -0.05 0.00 -0.73 0.00 0.00 40.66 39.81 2cbn h LEU 73 CO 0.00 0.67 0.60 1.55 -0.62 0.00 0.00 178.44 180.63 2cbn h PRO 74 N -0.19 1.12 -0.63 5.25 0.13 -1.92 -1.04 132.00 134.71 2cbn h PRO 74 Ca 0.01 -0.07 -0.08 0.00 -0.87 0.00 0.00 66.00 64.99 2cbn h PRO 74 Cb 0.60 -0.25 -0.02 0.00 0.13 0.00 0.00 31.00 31.45 2cbn h PRO 74 CO 0.02 0.74 0.07 0.78 -0.23 0.00 0.00 178.00 179.39 2cbn h GLY 75 N 1.16 1.15 0.94 1.56 0.00 -1.95 -2.21 103.07 103.72 2cbn h GLY 75 Ca 0.36 -0.79 -0.00 0.00 0.00 0.00 0.00 47.33 46.90 2cbn h GLY 75 CO -0.12 0.73 0.11 -2.00 0.00 0.00 0.00 176.54 175.26 2cbn h LEU 76 N 0.98 0.25 -0.60 3.11 6.46 -0.73 -0.47 115.31 124.31 2cbn h LEU 76 Ca 0.19 -0.09 0.06 0.00 -0.12 0.00 0.00 57.88 57.93 2cbn h LEU 76 Cb 0.47 -0.06 -0.06 0.00 -0.73 0.00 0.00 40.66 40.29 2cbn h LEU 76 CO 0.02 0.26 0.30 -0.07 -0.62 0.00 0.00 178.44 178.33 2cbn h LEU 77 N 0.21 0.42 -0.76 2.25 3.38 -1.10 0.32 115.31 120.03 2cbn h LEU 77 Ca 0.07 0.04 -0.10 0.00 0.09 0.00 0.00 57.88 57.98 2cbn h LEU 77 Cb 0.07 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 2cbn h LEU 77 CO -0.01 0.27 -0.12 0.00 0.09 0.00 0.00 178.44 178.67 2cbn h SER 79 N 0.73 0.92 -0.11 0.00 0.02 -0.51 0.42 113.55 115.02 2cbn h SER 79 Ca 0.12 -0.31 0.03 0.00 -0.84 0.00 0.00 61.79 60.79 2cbn h SER 79 Cb 0.62 -0.25 -0.04 0.00 0.14 0.00 0.00 62.40 62.87 2cbn h SER 79 CO 0.04 1.06 -0.11 -0.09 -1.14 0.00 0.00 176.83 176.60 2cbn h ARG 80 N 0.81 -0.12 -0.51 3.45 9.65 -0.70 -0.85 114.38 126.10 2cbn h ARG 80 Ca 0.12 0.01 -0.06 0.00 -1.10 0.00 0.00 59.98 58.95 2cbn h ARG 80 Cb 0.69 0.03 -0.02 0.00 -1.39 0.00 0.00 29.97 29.28 2cbn h ARG 80 CO 0.05 -0.08 0.07 1.03 2.80 0.00 0.00 179.97 183.84 2cbn h SER 81 N -0.13 0.82 0.14 -3.80 0.87 -1.24 -2.70 113.55 107.52 2cbn h SER 81 Ca 0.08 -0.27 -0.02 0.00 -1.23 0.00 0.00 61.79 60.35 2cbn h SER 81 Cb 0.24 -0.22 -0.00 0.00 -0.44 0.00 0.00 62.40 61.98 2cbn h SER 81 CO -0.19 0.88 -0.09 0.24 -0.53 0.00 0.00 176.83 177.15 2cbn h MET 82 N 0.73 0.00 0.00 2.24 2.86 -0.34 -3.40 114.93 117.03 2cbn h MET 82 Ca 0.15 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.78 2cbn h MET 82 Cb 0.42 0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.08 2cbn h MET 82 CO 0.01 0.09 0.01 0.43 1.06 0.00 0.00 176.91 178.51 2cbn n SER 83 N -4.08 -0.61 -1.34 1.22 7.64 -0.38 -4.91 113.62 111.17 2cbn n SER 83 Ca -0.03 -0.72 0.08 0.00 1.01 0.00 0.00 58.87 59.21 2cbn n SER 83 Cb 0.17 -0.03 0.30 0.00 -1.01 0.00 0.00 64.21 63.64 2cbn n SER 83 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2cbn n GLY 84 N 3.27 2.22 3.68 0.23 0.00 -1.26 -4.95 105.19 108.38 2cbn n GLY 84 Ca 0.01 -0.71 -0.45 0.00 0.00 0.00 0.00 46.02 44.86 2cbn n GLY 84 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2cbn n ILE 85 N 1.03 0.05 0.00 -0.61 5.41 -1.21 -4.84 119.36 119.19 2cbn n ILE 85 Ca 0.22 -0.01 0.00 0.00 1.00 0.00 0.00 62.75 63.96 2cbn n ILE 85 Cb 0.71 -1.61 0.00 0.00 -0.71 0.00 0.00 39.64 38.03 2cbn n ILE 85 CO 0.00 0.00 0.00 2.30 0.00 0.00 0.00 176.55 178.85 2cbn n ILE 86 N 3.44 0.00 -1.65 1.39 -6.64 -1.26 -4.49 119.36 110.14 2cbn n ILE 86 Ca 0.16 -0.16 -0.46 0.00 -1.77 0.00 0.00 62.75 60.52 2cbn n ILE 86 Cb 0.30 0.70 -0.04 0.00 -1.44 0.00 0.00 39.64 39.16 2cbn n ILE 86 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 2cbn n GLN 87 N -0.65 1.91 -1.38 6.28 1.13 -1.26 -4.29 117.38 119.12 2cbn n GLN 87 Ca 0.00 0.69 -0.36 0.00 -1.94 0.00 0.00 57.00 55.39 2cbn n GLN 87 Cb 0.00 -2.38 0.09 0.00 0.11 0.00 0.00 30.24 28.06 2cbn n GLN 87 CO 0.00 0.00 0.00 -0.35 -1.44 0.00 0.00 177.06 175.27 2cbn n PRO 88 N 2.69 0.56 -4.15 -1.09 -0.04 -1.26 -4.73 135.00 126.98 2cbn n PRO 88 Ca 0.15 0.25 -0.18 0.00 -0.04 0.00 0.00 63.50 63.68 2cbn n PRO 88 Cb 0.28 -2.28 -0.15 0.00 -0.04 0.00 0.00 33.50 31.30 2cbn n PRO 88 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 2cbn s LEU 89 N -3.53 1.62 -0.12 1.53 0.20 0.69 -4.71 118.68 114.36 2cbn s LEU 89 Ca 0.75 -0.10 0.03 0.00 0.69 0.00 0.00 54.13 55.49 2cbn s LEU 89 Cb -0.35 -0.35 0.00 0.00 -0.43 0.00 0.00 46.19 45.07 2cbn s LEU 89 CO 0.49 -0.00 -0.22 -0.89 -0.29 0.00 0.00 176.35 175.43 2cbn s THR 90 N 0.44 2.14 -0.16 3.68 2.01 0.42 -0.38 115.64 123.80 2cbn s THR 90 Ca -0.05 -0.98 -0.05 0.00 0.31 0.00 0.00 61.69 60.92 2cbn s THR 90 Cb -0.09 -1.84 -0.03 0.00 0.01 0.00 0.00 72.50 70.55 2cbn s THR 90 CO -0.00 0.55 0.00 -0.63 -0.69 0.00 0.00 174.62 173.85 2cbn s ILE 91 N 0.53 4.27 -0.11 1.82 1.01 0.71 -0.03 121.20 129.40 2cbn s ILE 91 Ca -0.14 -0.22 0.03 0.00 0.00 0.00 0.00 60.65 60.32 2cbn s ILE 91 Cb -0.17 -2.89 0.01 0.00 0.01 0.00 0.00 42.46 39.42 2cbn s ILE 91 CO 0.05 0.49 -0.22 -0.31 0.00 0.00 0.00 174.94 174.95 2cbn s TYR 92 N 0.26 2.48 0.02 3.97 1.51 0.74 0.48 117.35 126.81 2cbn s TYR 92 Ca -0.00 -1.11 -0.29 0.00 -1.01 0.00 0.00 57.07 54.66 2cbn s TYR 92 Cb -0.13 -1.68 0.10 0.00 -0.11 0.00 0.00 41.96 40.14 2cbn s TYR 92 CO 0.02 -0.48 1.13 0.20 -1.11 0.00 0.00 175.55 175.31 2cbn s GLY 93 N 0.58 -0.34 0.93 0.71 0.00 -0.45 0.03 107.32 108.78 2cbn s GLY 93 Ca -0.13 0.63 -0.10 0.00 0.00 0.00 0.00 44.72 45.11 2cbn s GLY 93 CO 0.04 0.15 1.13 2.56 0.00 0.00 0.00 173.10 176.97 2cbn s PRO 94 N -2.78 0.91 0.27 2.90 0.04 -1.26 -0.34 135.00 134.74 2cbn s PRO 94 Ca 0.12 1.43 -0.29 0.00 0.04 0.00 0.00 61.00 62.31 2cbn s PRO 94 Cb 0.02 -1.72 -0.14 0.00 0.04 0.00 0.00 34.50 32.69 2cbn s PRO 94 CO -0.02 -2.67 1.00 1.04 0.04 0.00 0.00 177.00 176.39 2cbn n GLN 95 N -4.25 1.24 0.00 4.56 6.02 -1.26 -2.08 117.38 121.61 2cbn n GLN 95 Ca 0.11 0.44 0.00 0.00 -0.01 0.00 0.00 57.00 57.53 2cbn n GLN 95 Cb 0.52 -1.80 0.00 0.00 1.02 0.00 0.00 30.24 29.98 2cbn n GLN 95 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2cbn n GLY 96 N 1.40 2.42 0.22 1.08 0.00 -1.26 -4.92 105.19 104.13 2cbn n GLY 96 Ca 0.11 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.12 2cbn n GLY 96 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2cbn h ILE 97 N 0.00 0.81 -0.29 -0.61 6.09 -1.73 0.57 117.51 122.34 2cbn h ILE 97 Ca 0.00 -0.14 -0.03 0.00 -1.37 0.00 0.00 64.86 63.32 2cbn h ILE 97 Cb 0.00 0.37 -0.01 0.00 0.47 0.00 0.00 36.82 37.65 2cbn h ILE 97 CO 0.00 0.07 0.06 -0.09 -3.07 0.00 0.00 178.15 175.13 2cbn h ARG 98 N 0.40 0.47 -0.95 2.19 2.43 -1.91 -2.21 114.38 114.80 2cbn h ARG 98 Ca 0.28 -0.12 -0.00 0.00 -0.81 0.00 0.00 59.98 59.33 2cbn h ARG 98 Cb 0.31 -0.06 -0.05 0.00 -0.42 0.00 0.00 29.97 29.76 2cbn h ARG 98 CO -0.27 0.56 0.59 1.49 -1.51 0.00 0.00 179.97 180.83 2cbn h GLU 99 N 0.30 1.28 0.64 0.20 4.81 -1.81 -0.85 114.58 119.15 2cbn h GLU 99 Ca 0.09 -0.10 -0.03 0.00 -0.13 0.00 0.00 59.36 59.18 2cbn h GLU 99 Cb 0.31 -0.27 0.01 0.00 0.63 0.00 0.00 28.75 29.42 2cbn h GLU 99 CO 0.00 0.88 -0.31 0.35 -0.73 0.00 0.00 179.01 179.21 2cbn h PHE 100 N 1.30 -0.80 -0.55 0.92 3.57 -0.78 -1.66 116.94 118.94 2cbn h PHE 100 Ca 0.34 -0.02 0.10 0.00 3.53 0.00 0.00 57.97 61.93 2cbn h PHE 100 Cb -0.09 0.26 -0.08 0.00 2.79 0.00 0.00 35.95 38.83 2cbn h PHE 100 CO 0.00 -0.50 0.07 0.28 -2.23 0.00 0.00 178.31 175.94 2cbn h VAL 101 N -0.90 0.63 -0.03 1.41 2.07 -1.33 -1.19 116.25 116.91 2cbn h VAL 101 Ca -0.09 -0.07 0.00 0.00 0.82 0.00 0.00 66.70 67.37 2cbn h VAL 101 Cb 0.66 0.42 -0.00 0.00 -1.52 0.00 0.00 31.29 30.85 2cbn h VAL 101 CO 0.14 0.04 0.02 -0.33 0.02 0.00 0.00 177.57 177.46 2cbn h GLU 102 N 0.19 0.04 -0.42 1.57 5.08 -1.18 -1.51 114.58 118.36 2cbn h GLU 102 Ca 0.28 -0.00 0.03 0.00 -1.00 0.00 0.00 59.36 58.68 2cbn h GLU 102 Cb 0.42 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.63 2cbn h GLU 102 CO -0.41 0.04 0.20 1.15 -1.00 0.00 0.00 179.01 179.00 2cbn h THR 103 N 0.03 0.96 -0.06 1.13 2.02 -0.83 0.29 112.91 116.45 2cbn h THR 103 Ca 0.01 -0.14 0.03 0.00 0.77 0.00 0.00 66.41 67.07 2cbn h THR 103 Cb 0.01 0.51 -0.03 0.00 -1.74 0.00 0.00 68.15 66.90 2cbn h THR 103 CO -0.00 0.08 -0.09 0.00 0.37 0.00 0.00 175.52 175.87 2cbn h ALA 104 N 1.23 -0.04 -0.60 6.16 0.00 -1.12 -1.11 119.26 123.77 2cbn h ALA 104 Ca 0.18 0.03 -0.05 0.00 0.00 0.00 0.00 54.91 55.08 2cbn h ALA 104 Cb 0.10 0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 2cbn h ALA 104 CO -0.13 -0.56 0.19 -0.07 0.00 0.00 0.00 179.25 178.68 2cbn h LEU 105 N -0.13 0.86 0.12 0.00 3.38 -0.69 -2.43 115.31 116.43 2cbn h LEU 105 Ca 0.06 -0.20 -0.00 0.00 0.09 0.00 0.00 57.88 57.82 2cbn h LEU 105 Cb 0.21 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.73 2cbn h LEU 105 CO -0.14 0.84 -0.09 -0.09 0.09 0.00 0.00 178.44 179.05 2cbn h ARG 106 N 0.84 -0.19 -0.99 1.13 2.43 -0.04 -1.34 114.38 116.23 2cbn h ARG 106 Ca 0.19 0.01 0.22 0.00 -0.81 0.00 0.00 59.98 59.60 2cbn h ARG 106 Cb 0.28 0.04 -0.09 0.00 -0.42 0.00 0.00 29.97 29.78 2cbn h ARG 106 CO -0.01 -0.13 0.63 0.82 -1.51 0.00 0.00 179.97 179.78 2cbn h ILE 107 N -0.20 0.63 -0.01 1.20 2.04 -1.28 0.20 117.51 120.10 2cbn h ILE 107 Ca -0.02 -0.18 0.00 0.00 1.00 0.00 0.00 64.86 65.67 2cbn h ILE 107 Cb 0.16 0.07 0.00 0.00 -0.74 0.00 0.00 36.82 36.31 2cbn h ILE 107 CO 0.00 0.09 0.00 -1.54 0.00 0.00 0.00 178.15 176.71 2cbn n SER 108 N -4.64 0.19 -3.22 1.72 3.41 -0.91 -4.91 113.62 105.26 2cbn n SER 108 Ca 0.23 -1.16 -0.21 0.00 -0.26 0.00 0.00 58.87 57.47 2cbn n SER 108 Cb 0.73 -0.00 0.07 0.00 -0.26 0.00 0.00 64.21 64.74 2cbn n SER 108 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2cbn n GLY 109 N 0.97 -0.38 3.86 5.00 0.00 0.06 -5.01 105.19 109.69 2cbn n GLY 109 Ca 0.21 0.15 -0.24 0.00 0.00 0.00 0.00 46.02 46.14 2cbn n GLY 109 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2cbn s SER 110 N -3.25 4.73 0.00 1.61 0.01 -0.54 -5.06 113.70 111.20 2cbn s SER 110 Ca 0.51 -1.03 0.00 0.00 1.31 0.00 0.00 55.95 56.74 2cbn s SER 110 Cb -0.22 -0.12 0.00 0.00 0.21 0.00 0.00 66.02 65.88 2cbn s SER 110 CO 0.63 -0.83 0.00 -2.67 0.41 0.00 0.00 173.24 170.78 2cbn n TRP 111 N -1.58 -0.66 -3.89 2.43 4.27 -1.26 -4.66 117.44 112.09 2cbn n TRP 111 Ca 0.00 0.00 -0.11 0.00 -3.89 0.00 0.00 57.50 53.51 2cbn n TRP 111 Cb 0.63 0.00 -0.11 0.00 -1.36 0.00 0.00 31.31 30.48 2cbn n TRP 111 CO 0.00 0.00 0.00 0.95 -2.29 0.00 0.00 177.69 176.35 2cbn s THR 112 N -2.96 0.08 -0.25 -1.67 -4.23 -1.26 -4.79 115.64 100.55 2cbn s THR 112 Ca 0.00 -0.63 0.12 0.00 -1.18 0.00 0.00 61.69 60.00 2cbn s THR 112 Cb 0.00 -0.35 0.52 0.00 1.34 0.00 0.00 72.50 74.01 2cbn s THR 112 CO 0.00 -0.35 1.47 0.47 -0.54 0.00 0.00 174.62 175.67 2cbn n ASP 113 N 1.74 3.05 -3.92 3.99 8.00 -1.26 -4.92 116.55 123.23 2cbn n ASP 113 Ca -0.21 -3.48 -0.11 0.00 0.71 0.00 0.00 54.79 51.70 2cbn n ASP 113 Cb 0.56 -0.61 -0.13 0.00 -0.02 0.00 0.00 41.12 40.93 2cbn n ASP 113 CO 0.00 0.00 0.00 -0.72 -0.39 0.00 0.00 177.20 176.09 2cbn s TYR 114 N -3.09 0.12 0.16 1.24 -0.85 -1.26 -4.64 117.35 109.03 2cbn s TYR 114 Ca 0.44 -0.25 -0.32 0.00 -0.52 0.00 0.00 57.07 56.43 2cbn s TYR 114 Cb 0.38 -0.09 -0.10 0.00 0.38 0.00 0.00 41.96 42.53 2cbn s TYR 114 CO 0.04 -0.09 1.56 -1.25 -1.52 0.00 0.00 175.55 174.29 2cbn s PRO 115 N -0.70 4.22 -0.14 -3.49 0.04 -1.26 -4.86 135.00 128.81 2cbn s PRO 115 Ca -0.08 2.35 0.02 0.00 0.04 0.00 0.00 61.00 63.33 2cbn s PRO 115 Cb -0.05 -3.17 0.01 0.00 0.04 0.00 0.00 34.50 31.33 2cbn s PRO 115 CO -0.00 -0.60 -0.20 -1.17 0.04 0.00 0.00 177.00 175.06 2cbn s LEU 116 N 1.18 2.22 -0.18 -3.56 2.96 -1.26 -0.22 118.68 119.81 2cbn s LEU 116 Ca 0.70 -0.56 0.00 0.00 -0.22 0.00 0.00 54.13 54.05 2cbn s LEU 116 Cb -0.43 -1.48 0.01 0.00 0.50 0.00 0.00 46.19 44.79 2cbn s LEU 116 CO 0.31 0.09 -0.17 -0.70 -1.32 0.00 0.00 176.35 174.56 2cbn s GLU 117 N 0.78 3.06 -0.15 1.98 2.12 0.49 -4.99 118.70 121.99 2cbn s GLU 117 Ca -0.07 -0.79 -0.07 0.00 0.36 0.00 0.00 54.97 54.40 2cbn s GLU 117 Cb -0.16 -2.64 -0.04 0.00 0.26 0.00 0.00 34.13 31.55 2cbn s GLU 117 CO -0.01 -0.19 0.08 0.42 -0.54 0.00 0.00 175.26 175.02 2cbn s ILE 118 N 1.29 4.97 -0.24 -3.70 1.01 -1.26 -0.20 121.20 123.07 2cbn s ILE 118 Ca 0.04 0.02 0.01 0.00 0.00 0.00 0.00 60.65 60.72 2cbn s ILE 118 Cb -0.13 -3.20 0.07 0.00 0.01 0.00 0.00 42.46 39.20 2cbn s ILE 118 CO -0.11 0.52 -0.03 -0.69 0.00 0.00 0.00 174.94 174.64 2cbn s VAL 119 N -0.21 1.46 -0.38 2.92 1.01 0.18 -4.95 120.40 120.42 2cbn s VAL 119 Ca 0.09 -1.25 -0.29 0.00 0.00 0.00 0.00 61.98 60.53 2cbn s VAL 119 Cb -0.12 -1.79 0.00 0.00 0.00 0.00 0.00 36.38 34.48 2cbn s VAL 119 CO 0.01 -0.18 1.54 -0.70 0.00 0.00 0.00 175.10 175.77 2cbn s GLU 120 N 1.41 3.50 0.54 2.72 2.56 -1.25 -1.34 118.70 126.84 2cbn s GLU 120 Ca -0.03 1.10 0.08 0.00 0.00 0.00 0.00 54.97 56.11 2cbn s GLU 120 Cb -0.19 -4.08 0.06 0.00 2.00 0.00 0.00 34.13 31.92 2cbn s GLU 120 CO -0.08 -1.66 0.59 0.96 -0.56 0.00 0.00 175.26 174.51 2cbn s ILE 121 N 5.89 2.00 0.31 -3.70 -4.36 0.54 -4.90 121.20 116.99 2cbn s ILE 121 Ca 0.67 -1.24 -0.07 0.00 -0.26 0.00 0.00 60.65 59.76 2cbn s ILE 121 Cb -0.16 -2.24 0.00 0.00 1.25 0.00 0.00 42.46 41.31 2cbn s ILE 121 CO 0.33 0.00 0.49 -0.83 0.24 0.00 0.00 174.94 175.17 2cbn s GLY 122 N -4.45 1.08 0.62 6.27 0.00 -1.26 -4.40 107.32 105.18 2cbn s GLY 122 Ca 0.49 -1.25 -0.17 0.00 0.00 0.00 0.00 44.72 43.78 2cbn s GLY 122 CO 0.30 -0.83 0.24 0.00 0.00 0.00 0.00 173.10 172.81 2cbn n ALA 123 N -0.49 -2.11 0.00 3.20 0.00 -1.26 -4.73 120.51 115.11 2cbn n ALA 123 Ca -0.01 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.30 2cbn n ALA 123 Cb 0.62 -1.66 0.00 0.00 0.00 0.00 0.00 19.45 18.40 2cbn n ALA 123 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2cbn n GLY 124 N 2.08 2.09 3.54 0.00 0.00 -0.60 -4.90 105.19 107.41 2cbn n GLY 124 Ca 0.09 -2.01 -0.48 0.00 0.00 0.00 0.00 46.02 43.62 2cbn n GLY 124 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2cbn n GLU 125 N 0.91 0.90 -0.09 1.61 2.13 -1.26 -1.69 120.64 123.15 2cbn n GLU 125 Ca 0.00 0.32 -0.12 0.00 0.66 0.00 0.00 57.16 58.02 2cbn n GLU 125 Cb 0.00 -1.70 -0.10 0.00 0.27 0.00 0.00 31.44 29.92 2cbn n GLU 125 CO 0.00 0.00 0.00 -0.89 -0.41 0.00 0.00 177.13 175.83 2cbn n ILE 126 N 0.91 1.09 -3.52 6.31 2.08 0.36 -4.82 119.36 121.77 2cbn n ILE 126 Ca 0.15 -0.50 -0.11 0.00 0.56 0.00 0.00 62.75 62.85 2cbn n ILE 126 Cb 0.25 -1.00 -0.04 0.00 -0.75 0.00 0.00 39.64 38.11 2cbn n ILE 126 CO 0.00 0.00 0.00 -1.48 0.56 0.00 0.00 176.55 175.63 2cbn s LEU 127 N -5.81 -0.44 -0.28 1.39 0.05 -1.12 -4.98 118.68 107.49 2cbn s LEU 127 Ca -0.20 0.24 0.02 0.00 0.05 0.00 0.00 54.13 54.23 2cbn s LEU 127 Cb 0.06 2.12 0.08 0.00 -2.05 0.00 0.00 46.19 46.40 2cbn s LEU 127 CO 0.50 -0.57 -0.00 -0.62 -0.55 0.00 0.00 176.35 175.11 2cbn s ASP 128 N -1.88 4.19 0.50 1.48 -1.08 -1.26 -1.59 116.67 117.03 2cbn s ASP 128 Ca -0.00 -1.55 0.15 0.00 -0.52 0.00 0.00 52.55 50.62 2cbn s ASP 128 Cb -0.01 -1.28 1.21 0.00 -1.46 0.00 0.00 42.92 41.39 2cbn s ASP 128 CO -0.03 -0.30 2.14 -0.78 0.52 0.00 0.00 175.17 176.71 2cbn h ASP 129 N 7.87 0.07 0.00 -0.34 3.58 -0.76 -3.45 116.42 123.38 2cbn h ASP 129 Ca -0.13 -0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.31 2cbn h ASP 129 Cb 1.04 -0.02 0.00 0.00 1.72 0.00 0.00 39.33 42.08 2cbn h ASP 129 CO 0.46 0.05 0.00 0.61 -2.88 0.00 0.00 179.24 177.48 2cbn n GLY 130 N -1.53 2.47 0.06 -0.78 0.00 -1.26 -4.71 105.19 99.43 2cbn n GLY 130 Ca -0.02 -0.02 -0.03 0.00 0.00 0.00 0.00 46.02 45.94 2cbn n GLY 130 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2cbn n LEU 131 N 0.00 0.00 -3.59 0.99 4.32 -1.26 -4.87 117.00 112.58 2cbn n LEU 131 Ca 0.00 0.00 -0.12 0.00 -0.02 0.00 0.00 56.01 55.87 2cbn n LEU 131 Cb 0.00 0.28 -0.05 0.00 -1.62 0.00 0.00 43.42 42.03 2cbn n LEU 131 CO 0.00 0.28 0.22 0.00 -1.22 0.00 0.00 177.39 176.66 2cbn s ARG 132 N -2.57 1.07 0.02 3.23 1.70 -1.26 -1.06 118.95 120.09 2cbn s ARG 132 Ca -0.07 -0.54 0.06 0.00 -0.47 0.00 0.00 55.73 54.71 2cbn s ARG 132 Cb 0.06 0.48 -0.02 0.00 -0.57 0.00 0.00 34.95 34.90 2cbn s ARG 132 CO 0.64 -0.42 -0.18 -1.59 -1.08 0.00 0.00 175.30 172.67 2cbn s LYS 133 N -3.37 1.26 -0.12 3.89 -2.85 0.37 0.08 119.74 119.00 2cbn s LYS 133 Ca 0.00 -0.78 -0.01 0.00 -1.00 0.00 0.00 55.97 54.18 2cbn s LYS 133 Cb 0.01 -1.29 -0.03 0.00 -2.06 0.00 0.00 37.83 34.46 2cbn s LYS 133 CO -0.09 0.34 -0.07 0.08 0.10 0.00 0.00 175.35 175.71 2cbn s VAL 134 N -0.68 3.66 -0.05 1.79 1.01 -0.62 -1.34 120.40 124.16 2cbn s VAL 134 Ca 0.06 -0.46 0.03 0.00 0.00 0.00 0.00 61.98 61.60 2cbn s VAL 134 Cb -0.08 -2.55 0.01 0.00 0.00 0.00 0.00 36.38 33.76 2cbn s VAL 134 CO 0.01 0.54 -0.14 -0.89 0.00 0.00 0.00 175.10 174.62 2cbn s THR 135 N -0.09 1.21 0.09 3.92 2.01 0.15 0.13 115.64 123.06 2cbn s THR 135 Ca 0.01 -0.55 -0.21 0.00 0.31 0.00 0.00 61.69 61.25 2cbn s THR 135 Cb -0.13 -1.07 -0.07 0.00 0.01 0.00 0.00 72.50 71.24 2cbn s THR 135 CO 0.03 0.36 0.61 0.00 -0.69 0.00 0.00 174.62 174.93 2cbn s ALA 136 N 0.38 3.56 -0.07 7.40 0.00 -0.68 -1.00 121.76 131.36 2cbn s ALA 136 Ca -0.10 0.10 0.01 0.00 0.00 0.00 0.00 51.96 51.98 2cbn s ALA 136 Cb -0.13 -2.70 0.02 0.00 0.00 0.00 0.00 23.12 20.30 2cbn s ALA 136 CO 0.03 0.38 -0.09 0.71 0.00 0.00 0.00 175.76 176.79 2cbn s TYR 137 N -1.12 1.27 0.20 0.00 1.51 -0.24 -1.56 117.35 117.41 2cbn s TYR 137 Ca 0.30 -0.48 -0.30 0.00 -1.01 0.00 0.00 57.07 55.59 2cbn s TYR 137 Cb -0.20 -0.99 -0.08 0.00 -0.11 0.00 0.00 41.96 40.57 2cbn s TYR 137 CO 0.20 -0.30 1.21 -1.25 -1.11 0.00 0.00 175.55 174.31 2cbn s PRO 138 N 0.93 4.48 0.50 -1.71 0.04 -1.26 0.39 135.00 138.37 2cbn s PRO 138 Ca -0.10 1.92 0.02 0.00 0.04 0.00 0.00 61.00 62.88 2cbn s PRO 138 Cb -0.15 -3.22 -0.02 0.00 0.04 0.00 0.00 34.50 31.15 2cbn s PRO 138 CO 0.01 -0.10 0.01 -0.51 0.04 0.00 0.00 177.00 176.45 2cbn s LEU 139 N -0.41 2.37 -0.48 -3.56 1.43 0.23 -4.59 118.68 113.67 2cbn s LEU 139 Ca 0.53 -1.61 -0.18 0.00 -1.03 0.00 0.00 54.13 51.83 2cbn s LEU 139 Cb -0.34 -0.76 0.05 0.00 0.03 0.00 0.00 46.19 45.17 2cbn s LEU 139 CO 0.38 -0.81 0.53 -1.61 0.23 0.00 0.00 176.35 175.07 2cbn s GLU 140 N -3.87 3.08 -0.07 1.70 0.41 -1.26 -4.62 118.70 114.07 2cbn s GLU 140 Ca 0.10 -0.98 -0.31 0.00 -0.41 0.00 0.00 54.97 53.37 2cbn s GLU 140 Cb 0.02 -4.08 0.08 0.00 -1.78 0.00 0.00 34.13 28.38 2cbn s GLU 140 CO 0.05 -1.09 0.76 -1.58 -0.49 0.00 0.00 175.26 172.91 2cbn s HIS 141 N 2.27 -0.58 0.54 1.61 2.46 -1.26 -1.32 115.29 119.01 2cbn s HIS 141 Ca 0.12 0.97 0.17 0.00 0.47 0.00 0.00 55.06 56.79 2cbn s HIS 141 Cb -0.20 0.43 0.90 0.00 -0.13 0.00 0.00 32.58 33.58 2cbn s HIS 141 CO 0.11 -0.55 1.47 -1.35 -2.47 0.00 0.00 174.74 171.96 2cbn h PRO 142 N 2.85 0.00 -5.50 2.88 0.11 -1.90 -3.40 132.00 127.05 2cbn h PRO 142 Ca -0.25 0.00 -0.43 0.00 0.11 0.00 0.00 66.00 65.43 2cbn h PRO 142 Cb 1.15 0.00 -0.19 0.00 0.11 0.00 0.00 31.00 32.07 2cbn h PRO 142 CO 0.37 0.00 -0.77 -0.51 -0.21 0.00 0.00 178.00 176.88 2cbn s LEU 143 N -5.11 2.37 -0.10 2.35 1.02 -1.26 -5.07 118.68 112.87 2cbn s LEU 143 Ca -0.02 -0.77 -0.36 0.00 0.02 0.00 0.00 54.13 53.00 2cbn s LEU 143 Cb 0.05 -0.59 -0.14 0.00 0.02 0.00 0.00 46.19 45.53 2cbn s LEU 143 CO 0.15 -0.11 1.75 1.21 0.02 0.00 0.00 176.35 179.37 2cbn n GLU 144 N 0.70 1.75 -3.75 1.70 2.13 -1.26 -4.92 120.64 116.98 2cbn n GLU 144 Ca -0.17 0.64 -0.15 0.00 0.66 0.00 0.00 57.16 58.15 2cbn n GLU 144 Cb 0.56 -2.41 -0.15 0.00 0.27 0.00 0.00 31.44 29.71 2cbn n GLU 144 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2cbn s TYR 146 N 1.20 2.93 0.18 0.00 1.51 -0.67 -0.60 117.35 121.89 2cbn s TYR 146 Ca -0.08 -0.02 0.02 0.00 -1.01 0.00 0.00 57.07 55.98 2cbn s TYR 146 Cb -0.12 -1.59 -0.04 0.00 -0.11 0.00 0.00 41.96 40.09 2cbn s TYR 146 CO -0.04 0.42 0.33 0.20 -1.11 0.00 0.00 175.55 175.34 2cbn s GLY 147 N -1.67 1.67 -0.12 0.71 0.00 0.16 -3.72 107.32 104.36 2cbn s GLY 147 Ca 0.19 -0.99 0.01 0.00 0.00 0.00 0.00 44.72 43.94 2cbn s GLY 147 CO 0.10 -0.98 -0.15 -0.19 0.00 0.00 0.00 173.10 171.89 2cbn s TYR 148 N -1.82 2.04 -0.25 1.90 1.51 0.87 -1.08 117.35 120.52 2cbn s TYR 148 Ca 0.36 -1.04 -0.10 0.00 -1.01 0.00 0.00 57.07 55.28 2cbn s TYR 148 Cb -0.11 -1.49 -0.05 0.00 -0.11 0.00 0.00 41.96 40.21 2cbn s TYR 148 CO 0.29 -0.56 0.15 0.50 -1.11 0.00 0.00 175.55 174.82 2cbn s ARG 149 N 1.20 3.96 -0.23 -0.62 3.52 -0.17 -0.51 118.95 126.11 2cbn s ARG 149 Ca -0.02 -0.33 -0.01 0.00 -0.13 0.00 0.00 55.73 55.25 2cbn s ARG 149 Cb -0.14 -3.52 0.02 0.00 -1.56 0.00 0.00 34.95 29.75 2cbn s ARG 149 CO -0.05 -0.04 -0.10 0.42 -0.81 0.00 0.00 175.30 174.71 2cbn s ILE 150 N 1.32 2.67 -0.08 4.11 1.09 0.19 -0.67 121.20 129.83 2cbn s ILE 150 Ca 0.07 -0.96 0.03 0.00 -1.10 0.00 0.00 60.65 58.68 2cbn s ILE 150 Cb -0.15 -2.29 0.01 0.00 -1.06 0.00 0.00 42.46 38.98 2cbn s ILE 150 CO 0.06 0.31 -0.17 -1.61 -0.10 0.00 0.00 174.94 173.44 2cbn s GLU 151 N 1.32 2.22 -0.14 2.79 2.02 -0.45 -0.58 118.70 125.89 2cbn s GLU 151 Ca 0.02 -0.59 -0.15 0.00 0.02 0.00 0.00 54.97 54.27 2cbn s GLU 151 Cb -0.15 -1.76 -0.05 0.00 0.10 0.00 0.00 34.13 32.27 2cbn s GLU 151 CO -0.07 0.07 0.35 -1.83 0.02 0.00 0.00 175.26 173.81 2cbn s GLU 152 N 0.57 4.24 0.77 1.61 -1.05 -1.11 0.14 118.70 123.86 2cbn s GLU 152 Ca -0.16 0.22 -0.15 0.00 -0.15 0.00 0.00 54.97 54.73 2cbn s GLU 152 Cb -0.17 -3.41 -0.02 0.00 -0.44 0.00 0.00 34.13 30.10 2cbn s GLU 152 CO 0.05 0.26 0.58 0.72 0.95 0.00 0.00 175.26 177.83 2cbn n HIS 153 N 3.44 -0.66 -2.26 4.83 8.25 -0.23 -3.84 115.22 124.75 2cbn n HIS 153 Ca -0.11 0.34 -0.40 0.00 -0.26 0.00 0.00 57.72 57.29 2cbn n HIS 153 Cb 0.52 -1.92 -0.03 0.00 1.12 0.00 0.00 29.99 29.68 2cbn n HIS 153 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2cbn s ASP 154 N -1.61 6.81 -0.05 0.41 1.01 -1.26 -4.23 116.67 117.76 2cbn s ASP 154 Ca 0.65 2.48 -0.27 0.00 0.71 0.00 0.00 52.55 56.12 2cbn s ASP 154 Cb -0.32 -2.63 -0.03 0.00 1.01 0.00 0.00 42.92 40.95 2cbn s ASP 154 CO 0.59 -0.48 0.88 0.00 0.21 0.00 0.00 175.17 176.36 2cbn s ALA 155 N -1.23 3.27 0.50 5.23 0.00 0.08 -4.90 121.76 124.72 2cbn s ALA 155 Ca 0.50 0.34 -0.23 0.00 0.00 0.00 0.00 51.96 52.58 2cbn s ALA 155 Cb -0.35 -3.21 -0.07 0.00 0.00 0.00 0.00 23.12 19.49 2cbn s ALA 155 CO 0.46 -0.26 1.25 -0.35 0.00 0.00 0.00 175.76 176.86 2cbn n PRO 156 N 4.09 1.66 -1.90 0.00 -0.04 -1.26 -2.91 135.00 134.63 2cbn n PRO 156 Ca 0.04 0.60 -0.42 0.00 -0.04 0.00 0.00 63.50 63.68 2cbn n PRO 156 Cb 0.51 -2.42 -0.02 0.00 -0.04 0.00 0.00 33.50 31.52 2cbn n PRO 156 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 2cbn s GLY 157 N -0.80 1.96 0.46 0.55 0.00 -1.26 -4.70 107.32 103.53 2cbn s GLY 157 Ca 0.68 1.43 -0.04 0.00 0.00 0.00 0.00 44.72 46.79 2cbn s GLY 157 CO 0.53 2.50 0.75 0.00 0.00 0.00 0.00 173.10 176.88 2cbn s ALA 158 N 0.40 3.45 0.36 3.20 0.00 -1.24 -4.61 121.76 123.30 2cbn s ALA 158 Ca 0.65 -0.57 -0.28 0.00 0.00 0.00 0.00 51.96 51.75 2cbn s ALA 158 Cb -0.45 -2.51 -0.10 0.00 0.00 0.00 0.00 23.12 20.05 2cbn s ALA 158 CO 0.40 -0.31 1.39 -0.51 0.00 0.00 0.00 175.76 176.73 2cbn s LEU 159 N -4.68 4.36 -1.05 0.00 1.43 -1.26 -2.69 118.68 114.79 2cbn s LEU 159 Ca 0.46 2.85 -0.20 0.00 -1.03 0.00 0.00 54.13 56.21 2cbn s LEU 159 Cb -0.10 -3.67 0.08 0.00 0.03 0.00 0.00 46.19 42.53 2cbn s LEU 159 CO 0.44 -0.71 1.40 0.21 0.23 0.00 0.00 176.35 177.91 2cbn s ASN 160 N -0.35 6.63 0.17 2.29 3.84 0.15 -4.87 114.94 122.80 2cbn s ASN 160 Ca 0.51 -1.87 -0.17 0.00 0.21 0.00 0.00 52.86 51.54 2cbn s ASN 160 Cb -0.43 -2.51 0.12 0.00 -0.55 0.00 0.00 41.25 37.88 2cbn s ASN 160 CO 0.57 -1.28 1.65 0.00 -2.79 0.00 0.00 177.10 175.25 2cbn h ALA 161 N 9.03 0.22 0.26 1.71 0.00 -1.91 -1.49 119.26 127.09 2cbn h ALA 161 Ca 0.23 0.16 0.01 0.00 0.00 0.00 0.00 54.91 55.31 2cbn h ALA 161 Cb 0.98 0.40 -0.03 0.00 0.00 0.00 0.00 17.79 19.15 2cbn h ALA 161 CO 1.33 -0.49 -0.33 1.96 0.00 0.00 0.00 179.25 181.72 2cbn h GLN 162 N -0.05 -0.62 -1.00 0.00 1.08 -1.99 0.24 115.11 112.78 2cbn h GLN 162 Ca 0.21 0.04 0.15 0.00 -1.45 0.00 0.00 58.65 57.61 2cbn h GLN 162 Cb 0.37 0.14 -0.10 0.00 -0.05 0.00 0.00 27.48 27.85 2cbn h GLN 162 CO -0.48 -0.41 0.61 0.00 -0.95 0.00 0.00 178.83 177.60 2cbn h ALA 163 N -0.09 1.57 0.08 3.87 0.00 -1.90 0.28 119.26 123.07 2cbn h ALA 163 Ca -0.00 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 2cbn h ALA 163 Cb 0.61 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.26 2cbn h ALA 163 CO -0.10 0.08 -0.04 -0.07 0.00 0.00 0.00 179.25 179.12 2cbn h LEU 164 N 0.87 -0.09 -0.64 0.00 3.38 -0.54 -1.14 115.31 117.15 2cbn h LEU 164 Ca 0.53 -0.25 0.11 0.00 0.09 0.00 0.00 57.88 58.36 2cbn h LEU 164 Cb 0.69 0.02 -0.08 0.00 0.09 0.00 0.00 40.66 41.38 2cbn h LEU 164 CO -0.33 0.21 0.22 0.11 0.09 0.00 0.00 178.44 178.74 2cbn h LYS 165 N -0.38 0.38 -0.79 1.13 1.57 0.63 0.17 116.57 119.28 2cbn h LYS 165 Ca -0.01 -0.02 0.09 0.00 -1.87 0.00 0.00 60.65 58.84 2cbn h LYS 165 Cb 0.33 -0.09 -0.07 0.00 0.08 0.00 0.00 32.23 32.48 2cbn h LYS 165 CO 0.02 0.25 0.44 0.00 -0.57 0.00 0.00 179.45 179.59 2cbn h ALA 166 N 1.46 1.12 0.00 3.86 0.00 -0.31 -0.98 119.26 124.41 2cbn h ALA 166 Ca 0.33 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.28 2cbn h ALA 166 Cb 0.44 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.12 2cbn h ALA 166 CO -0.34 0.07 0.00 0.00 0.00 0.00 0.00 179.25 178.97 2cbn n ALA 167 N -2.38 2.35 0.00 0.00 0.00 0.52 -4.90 120.51 116.10 2cbn n ALA 167 Ca 0.13 -0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.43 2cbn n ALA 167 Cb 0.27 -1.40 0.00 0.00 0.00 0.00 0.00 19.45 18.32 2cbn n ALA 167 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2cbn n GLY 168 N 0.61 1.80 3.64 0.00 0.00 -0.37 -5.06 105.19 105.82 2cbn n GLY 168 Ca 0.16 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.75 2cbn n GLY 168 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2cbn n VAL 169 N -0.18 0.63 -2.43 1.61 0.31 -1.02 -4.94 118.33 112.31 2cbn n VAL 169 Ca 0.00 -0.22 -0.31 0.00 -0.01 0.00 0.00 64.34 63.80 2cbn n VAL 169 Cb 0.00 -2.31 -0.03 0.00 -0.91 0.00 0.00 33.84 30.59 2cbn n VAL 169 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 2cbn s PRO 170 N 4.93 3.86 0.44 5.55 0.04 -1.26 -3.85 135.00 144.71 2cbn s PRO 170 Ca 0.93 0.81 -0.24 0.00 0.04 0.00 0.00 61.00 62.54 2cbn s PRO 170 Cb -0.45 -2.19 -0.08 0.00 0.04 0.00 0.00 34.50 31.82 2cbn s PRO 170 CO 0.42 -0.26 1.18 -1.25 0.04 0.00 0.00 177.00 177.14 2cbn s PRO 171 N -4.18 3.86 0.00 0.56 0.04 -1.26 -4.33 135.00 129.70 2cbn s PRO 171 Ca 0.56 1.84 0.00 0.00 0.04 0.00 0.00 61.00 63.45 2cbn s PRO 171 Cb -0.10 -2.53 0.00 0.00 0.04 0.00 0.00 34.50 31.91 2cbn s PRO 171 CO 0.34 -0.48 0.00 0.41 0.04 0.00 0.00 177.00 177.31 2cbn n GLY 172 N 0.54 1.25 0.00 0.56 0.00 -1.26 -4.90 105.19 101.38 2cbn n GLY 172 Ca 0.06 -0.97 0.00 0.00 0.00 0.00 0.00 46.02 45.11 2cbn n GLY 172 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2cbn n PRO 173 N 0.00 0.00 0.00 1.61 -0.04 -1.26 -2.06 135.00 133.25 2cbn n PRO 173 Ca 0.00 0.26 0.07 0.00 -0.04 0.00 0.00 63.50 63.79 2cbn n PRO 173 Cb 0.00 -0.81 0.36 0.00 -0.04 0.00 0.00 33.50 33.01 2cbn n PRO 173 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 2cbn n LEU 174 N -0.57 0.00 -0.11 1.53 0.00 -1.26 -2.14 117.00 114.45 2cbn n LEU 174 Ca 0.00 0.37 -0.11 0.00 0.00 0.00 0.00 56.01 56.26 2cbn n LEU 174 Cb 0.00 -0.37 -0.03 0.00 0.00 0.00 0.00 43.42 43.02 2cbn n LEU 174 CO 0.00 -0.18 0.74 0.15 0.00 0.00 0.00 177.39 178.10 2cbn h PHE 175 N 0.00 0.66 0.03 1.96 -0.00 -1.68 -0.57 116.94 117.34 2cbn h PHE 175 Ca 0.00 -0.13 0.03 0.00 -0.00 0.00 0.00 57.97 57.87 2cbn h PHE 175 Cb 0.18 -0.17 -0.04 0.00 -0.00 0.00 0.00 35.95 35.92 2cbn h PHE 175 CO 0.00 0.74 -0.29 1.96 -0.00 0.00 0.00 178.31 180.73 2cbn h GLN 176 N 0.38 -0.44 -0.10 1.11 4.20 -0.88 -1.34 115.11 118.04 2cbn h GLN 176 Ca 0.09 0.03 0.01 0.00 0.06 0.00 0.00 58.65 58.83 2cbn h GLN 176 Cb 0.51 0.10 -0.01 0.00 0.30 0.00 0.00 27.48 28.38 2cbn h GLN 176 CO 0.02 -0.29 0.04 0.93 -0.67 0.00 0.00 178.83 178.86 2cbn h GLU 177 N -0.45 0.09 -0.40 1.46 5.08 -1.64 -1.53 114.58 117.19 2cbn h GLU 177 Ca 0.05 -0.01 0.12 0.00 -1.00 0.00 0.00 59.36 58.52 2cbn h GLU 177 Cb 0.52 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.74 2cbn h GLU 177 CO -0.22 0.06 0.31 -0.07 -1.00 0.00 0.00 179.01 178.09 2cbn h LEU 178 N 0.10 0.00 -0.17 1.33 -0.00 -0.93 0.21 115.31 115.84 2cbn h LEU 178 Ca 0.04 0.00 -0.03 0.00 -0.00 0.00 0.00 57.88 57.89 2cbn h LEU 178 Cb 0.01 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 40.67 2cbn h LEU 178 CO -0.04 0.00 0.00 0.07 -0.00 0.00 0.00 178.44 178.48 2cbn h LYS 179 N 0.00 0.30 -0.81 1.13 -0.00 -0.24 -2.99 116.57 113.97 2cbn h LYS 179 Ca 0.19 -0.09 -0.00 0.00 -0.00 0.00 0.00 60.65 60.74 2cbn h LYS 179 Cb 0.81 -0.03 -0.04 0.00 -0.00 0.00 0.00 32.23 32.97 2cbn h LYS 179 CO -0.00 0.51 0.50 0.00 -0.00 0.00 0.00 179.45 180.46 2cbn h ALA 180 N 0.78 1.36 0.00 0.07 0.00 -0.12 -3.46 119.26 117.88 2cbn h ALA 180 Ca 0.05 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2cbn h ALA 180 Cb 0.37 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.84 2cbn h ALA 180 CO 0.01 0.56 0.00 0.41 0.00 0.00 0.00 179.25 180.23 2cbn n GLY 181 N -1.31 1.21 3.46 0.00 0.00 -0.44 -5.11 105.19 103.00 2cbn n GLY 181 Ca 0.09 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.64 2cbn n GLY 181 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2cbn n LYS 182 N 0.00 0.44 -0.49 1.61 2.85 -1.10 -4.22 118.16 117.26 2cbn n LYS 182 Ca 0.00 0.16 -0.08 0.00 -1.05 0.00 0.00 58.31 57.33 2cbn n LYS 182 Cb 0.00 -1.28 0.08 0.00 -0.65 0.00 0.00 35.03 33.18 2cbn n LYS 182 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 177.40 179.76 2cbn n THR 183 N 0.03 1.82 -0.87 0.58 -1.04 -1.26 -3.56 114.28 109.99 2cbn n THR 183 Ca 0.15 -0.76 -0.34 0.00 -2.04 0.00 0.00 64.05 61.06 2cbn n THR 183 Cb 0.28 -0.75 -0.05 0.00 -1.82 0.00 0.00 70.33 67.99 2cbn n THR 183 CO 0.00 0.00 0.00 2.30 -0.64 0.00 0.00 175.07 176.73 2cbn n ILE 184 N -0.13 0.00 -3.46 12.58 -5.35 -1.22 -3.18 119.36 118.60 2cbn n ILE 184 Ca 0.23 0.00 -0.32 0.00 -0.27 0.00 0.00 62.75 62.39 2cbn n ILE 184 Cb 0.94 -0.03 -0.05 0.00 -1.74 0.00 0.00 39.64 38.76 2cbn n ILE 184 CO 0.00 0.00 0.00 -0.89 -1.76 0.00 0.00 176.55 173.90 2cbn s THR 185 N 0.17 4.97 0.09 7.28 2.01 -1.26 -0.89 115.64 128.01 2cbn s THR 185 Ca 0.53 0.42 -0.11 0.00 0.31 0.00 0.00 61.69 62.84 2cbn s THR 185 Cb -0.74 -3.63 -0.06 0.00 0.01 0.00 0.00 72.50 68.08 2cbn s THR 185 CO 0.34 -0.01 0.43 -1.48 -0.69 0.00 0.00 174.62 173.21 2cbn s LEU 186 N -2.67 4.36 0.60 4.42 -0.00 0.51 -4.90 118.68 120.99 2cbn s LEU 186 Ca 0.45 0.87 0.29 0.00 -0.00 0.00 0.00 54.13 55.73 2cbn s LEU 186 Cb -0.12 -3.00 1.49 0.00 -0.00 0.00 0.00 46.19 44.56 2cbn s LEU 186 CO 0.21 0.17 1.90 -0.33 -0.00 0.00 0.00 176.35 178.30 2cbn h GLU 187 N 3.78 0.00 -0.43 1.48 5.08 -1.99 0.55 114.58 123.05 2cbn h GLU 187 Ca -0.49 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.87 2cbn h GLU 187 Cb 1.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.45 2cbn h GLU 187 CO 0.66 0.00 0.00 -0.40 -1.00 0.00 0.00 179.01 178.27 2cbn n ASP 188 N -3.60 0.43 -2.93 1.42 3.85 -1.26 -4.83 116.55 109.62 2cbn n ASP 188 Ca 0.07 -1.34 -0.06 0.00 -0.71 0.00 0.00 54.79 52.74 2cbn n ASP 188 Cb 0.63 -0.21 0.01 0.00 -1.35 0.00 0.00 41.12 40.19 2cbn n ASP 188 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 2cbn n GLY 189 N 0.17 -1.27 3.47 6.12 0.00 0.19 -5.06 105.19 108.81 2cbn n GLY 189 Ca 0.00 1.02 0.02 0.00 0.00 0.00 0.00 46.02 47.07 2cbn n GLY 189 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2cbn s ARG 190 N -2.74 0.08 -0.02 1.61 1.70 -1.07 -4.96 118.95 113.54 2cbn s ARG 190 Ca 0.18 0.16 -0.23 0.00 -0.47 0.00 0.00 55.73 55.37 2cbn s ARG 190 Cb -0.05 0.05 -0.05 0.00 -0.57 0.00 0.00 34.95 34.34 2cbn s ARG 190 CO 0.77 -0.02 0.68 -0.65 -1.08 0.00 0.00 175.30 174.99 2cbn s GLN 191 N 1.50 4.41 -0.24 3.89 1.11 -1.26 0.19 119.66 129.26 2cbn s GLN 191 Ca -0.05 0.86 0.03 0.00 0.01 0.00 0.00 55.36 56.21 2cbn s GLN 191 Cb -0.02 -3.40 0.05 0.00 -1.01 0.00 0.00 33.01 28.64 2cbn s GLN 191 CO -0.13 0.21 -0.12 0.42 0.01 0.00 0.00 175.29 175.67 2cbn s ILE 192 N 0.31 2.13 -0.67 1.08 1.01 -0.07 -4.93 121.20 120.05 2cbn s ILE 192 Ca 0.35 -1.49 -0.24 0.00 0.00 0.00 0.00 60.65 59.27 2cbn s ILE 192 Cb -0.18 -2.18 0.06 0.00 0.01 0.00 0.00 42.46 40.16 2cbn s ILE 192 CO 0.19 0.07 1.03 0.21 0.00 0.00 0.00 174.94 176.44 2cbn s ASN 193 N 1.15 6.17 0.38 3.58 3.04 -1.26 -3.40 114.94 124.60 2cbn s ASN 193 Ca -0.06 -0.86 0.04 0.00 0.04 0.00 0.00 52.86 52.02 2cbn s ASN 193 Cb -0.19 -2.45 0.19 0.00 -1.54 0.00 0.00 41.25 37.27 2cbn s ASN 193 CO -0.07 -1.53 0.93 1.23 -3.04 0.00 0.00 177.10 174.63 2cbn h GLY 194 N 11.71 0.00 2.00 1.21 0.00 -1.73 0.15 103.07 116.42 2cbn h GLY 194 Ca -0.29 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.04 2cbn h GLY 194 CO 1.20 0.00 0.00 0.00 0.00 0.00 0.00 176.54 177.74 2cbn n ALA 195 N -1.36 1.86 -0.53 3.60 0.00 -1.26 -2.37 120.51 120.45 2cbn n ALA 195 Ca -0.00 -0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.53 2cbn n ALA 195 Cb 0.69 -1.36 0.35 0.00 0.00 0.00 0.00 19.45 19.13 2cbn n ALA 195 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2cbn n ASP 196 N -1.89 4.55 0.00 0.00 8.00 0.53 -4.19 116.55 123.55 2cbn n ASP 196 Ca 0.04 -2.32 0.00 0.00 0.71 0.00 0.00 54.79 53.22 2cbn n ASP 196 Cb 0.26 -0.56 0.00 0.00 -0.02 0.00 0.00 41.12 40.80 2cbn n ASP 196 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 2cbn n TYR 197 N 1.31 0.00 -2.66 1.24 4.02 -1.00 -4.88 117.16 115.19 2cbn n TYR 197 Ca 0.26 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.73 2cbn n TYR 197 Cb 0.82 0.00 -0.02 0.00 -0.02 0.00 0.00 39.34 40.12 2cbn n TYR 197 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 2cbn s LEU 198 N -1.15 3.96 0.56 7.72 1.43 -1.07 0.33 118.68 130.47 2cbn s LEU 198 Ca 0.00 -1.88 0.03 0.00 -1.03 0.00 0.00 54.13 51.25 2cbn s LEU 198 Cb 0.00 -2.53 0.06 0.00 0.03 0.00 0.00 46.19 43.75 2cbn s LEU 198 CO 0.00 -1.30 0.78 0.00 0.23 0.00 0.00 176.35 176.06 2cbn s ALA 199 N 4.16 4.09 0.00 4.21 0.00 -1.10 -4.84 121.76 128.29 2cbn s ALA 199 Ca 0.45 -1.59 0.00 0.00 0.00 0.00 0.00 51.96 50.82 2cbn s ALA 199 Cb -0.00 -1.89 0.00 0.00 0.00 0.00 0.00 23.12 21.23 2cbn s ALA 199 CO -0.05 -0.82 0.00 0.00 0.00 0.00 0.00 175.76 174.88 2cbn n ALA 200 N -2.34 -0.91 -2.07 0.00 0.00 -1.26 -3.73 120.51 110.20 2cbn n ALA 200 Ca 0.11 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.20 2cbn n ALA 200 Cb 0.60 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 20.01 2cbn n ALA 200 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2cbn s PRO 201 N 0.00 2.64 -0.21 0.00 0.04 -1.26 -4.59 135.00 131.62 2cbn s PRO 201 Ca 0.00 0.26 -0.38 0.00 0.04 0.00 0.00 61.00 60.92 2cbn s PRO 201 Cb 0.00 -4.62 -0.14 0.00 0.04 0.00 0.00 34.50 29.78 2cbn s PRO 201 CO 0.00 -2.91 1.78 1.33 0.04 0.00 0.00 177.00 177.24 2cbn n VAL 202 N 7.39 0.38 -2.13 -0.36 0.24 -1.15 -4.75 118.33 117.96 2cbn n VAL 202 Ca 0.26 -0.07 -0.34 0.00 -2.04 0.00 0.00 64.34 62.15 2cbn n VAL 202 Cb 0.50 -1.42 0.01 0.00 -1.47 0.00 0.00 33.84 31.46 2cbn n VAL 202 CO 0.00 0.00 0.00 -2.16 -2.14 0.00 0.00 176.83 172.53 2cbn s PRO 203 N 3.63 3.25 0.86 7.34 0.04 -1.26 -0.74 135.00 148.12 2cbn s PRO 203 Ca 0.96 1.48 -0.12 0.00 0.04 0.00 0.00 61.00 63.37 2cbn s PRO 203 Cb -0.95 -2.00 0.11 0.00 0.04 0.00 0.00 34.50 31.70 2cbn s PRO 203 CO 0.61 -0.91 1.11 0.20 0.04 0.00 0.00 177.00 178.05 2cbn s GLY 204 N -2.11 1.60 0.36 0.56 0.00 -1.25 -4.78 107.32 101.70 2cbn s GLY 204 Ca 0.70 -0.31 -0.23 0.00 0.00 0.00 0.00 44.72 44.88 2cbn s GLY 204 CO 0.31 0.18 0.91 0.54 0.00 0.00 0.00 173.10 175.04 2cbn s LYS 205 N -5.16 4.36 -0.12 2.90 -0.14 -1.26 -4.87 119.74 115.45 2cbn s LYS 205 Ca 0.62 1.15 0.03 0.00 -1.36 0.00 0.00 55.97 56.41 2cbn s LYS 205 Cb -0.15 -2.52 0.01 0.00 -1.68 0.00 0.00 37.83 33.49 2cbn s LYS 205 CO 0.54 0.15 -0.20 0.00 -0.76 0.00 0.00 175.35 175.08 2cbn s ALA 206 N -1.87 2.04 -0.04 5.17 0.00 -1.26 -2.77 121.76 123.03 2cbn s ALA 206 Ca 0.55 -0.93 0.04 0.00 0.00 0.00 0.00 51.96 51.62 2cbn s ALA 206 Cb -0.14 -0.88 -0.00 0.00 0.00 0.00 0.00 23.12 22.10 2cbn s ALA 206 CO 0.19 0.07 -0.17 -1.17 0.00 0.00 0.00 175.76 174.67 2cbn s LEU 207 N 0.70 1.90 -0.29 0.00 2.96 0.25 0.15 118.68 124.36 2cbn s LEU 207 Ca -0.11 -0.35 0.01 0.00 -0.22 0.00 0.00 54.13 53.47 2cbn s LEU 207 Cb -0.16 -0.95 0.08 0.00 0.50 0.00 0.00 46.19 45.66 2cbn s LEU 207 CO 0.02 0.14 0.01 0.00 -1.32 0.00 0.00 176.35 175.21 2cbn s ALA 208 N 0.08 2.18 -0.42 5.97 0.00 -0.56 0.55 121.76 129.56 2cbn s ALA 208 Ca -0.04 -1.83 -0.16 0.00 0.00 0.00 0.00 51.96 49.93 2cbn s ALA 208 Cb -0.12 -1.66 0.02 0.00 0.00 0.00 0.00 23.12 21.37 2cbn s ALA 208 CO 0.02 -1.47 0.38 0.42 0.00 0.00 0.00 175.76 175.12 2cbn s ILE 209 N 1.28 5.16 0.61 0.00 1.01 0.33 -0.46 121.20 129.13 2cbn s ILE 209 Ca 0.03 -0.47 -0.11 0.00 0.00 0.00 0.00 60.65 60.11 2cbn s ILE 209 Cb -0.19 -3.99 -0.04 0.00 0.01 0.00 0.00 42.46 38.25 2cbn s ILE 209 CO -0.11 -0.37 1.01 -0.36 0.00 0.00 0.00 174.94 175.11 2cbn s PHE 210 N 1.95 3.62 0.57 3.97 0.40 -0.41 -0.09 117.98 128.00 2cbn s PHE 210 Ca 0.09 1.27 0.10 0.00 -0.60 0.00 0.00 56.93 57.79 2cbn s PHE 210 Cb -0.18 -2.70 0.09 0.00 0.51 0.00 0.00 43.02 40.74 2cbn s PHE 210 CO 0.12 -0.66 0.78 0.20 0.70 0.00 0.00 175.22 176.37 2cbn s GLY 211 N -4.15 1.74 0.38 4.36 0.00 -1.24 -4.87 107.32 103.55 2cbn s GLY 211 Ca 0.55 -2.13 -0.28 0.00 0.00 0.00 0.00 44.72 42.86 2cbn s GLY 211 CO 0.53 -1.69 1.49 0.99 0.00 0.00 0.00 173.10 174.41 2cbn s ASP 212 N -4.66 6.29 -0.07 1.64 -0.00 -1.26 -4.78 116.67 113.83 2cbn s ASP 212 Ca 0.61 3.05 -0.30 0.00 -0.00 0.00 0.00 52.55 55.92 2cbn s ASP 212 Cb -0.06 -2.67 0.10 0.00 -0.00 0.00 0.00 42.92 40.30 2cbn s ASP 212 CO 0.39 -0.91 0.87 -0.89 -0.00 0.00 0.00 175.17 174.63 2cbn s THR 213 N -1.13 0.00 0.51 -1.27 2.01 -0.93 -4.62 115.64 110.22 2cbn s THR 213 Ca 0.53 0.00 0.08 0.00 0.31 0.00 0.00 61.69 62.62 2cbn s THR 213 Cb -0.46 -1.00 0.05 0.00 0.01 0.00 0.00 72.50 71.09 2cbn s THR 213 CO 0.63 0.00 0.61 -0.83 -0.69 0.00 0.00 174.62 174.34 2cbn s GLY 214 N -1.61 1.96 0.36 4.40 0.00 -0.44 -2.03 107.32 109.96 2cbn s GLY 214 Ca -0.02 -1.84 -0.27 0.00 0.00 0.00 0.00 44.72 42.59 2cbn s GLY 214 CO -0.00 -1.70 1.24 -1.55 0.00 0.00 0.00 173.10 171.09 2cbn n PRO 215 N -1.97 1.97 -3.47 2.90 -0.04 -1.26 -4.43 135.00 128.70 2cbn n PRO 215 Ca 0.09 0.69 -0.13 0.00 -0.04 0.00 0.00 63.50 64.12 2cbn n PRO 215 Cb 0.62 -2.27 -0.03 0.00 -0.04 0.00 0.00 33.50 31.77 2cbn n PRO 215 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2cbn h ASP 217 N 2.26 -1.00 -0.49 0.00 3.45 -1.94 -2.70 116.42 116.00 2cbn h ASP 217 Ca -0.33 0.08 0.14 0.00 0.43 0.00 0.00 57.03 57.36 2cbn h ASP 217 Cb 1.27 0.34 -0.02 0.00 -0.56 0.00 0.00 39.33 40.36 2cbn h ASP 217 CO 0.39 -0.45 0.55 0.00 -1.57 0.00 0.00 179.24 178.16 2cbn h ALA 218 N -1.11 2.22 -0.92 3.45 0.00 -1.99 -2.70 119.26 118.21 2cbn h ALA 218 Ca -0.04 -0.02 0.24 0.00 0.00 0.00 0.00 54.91 55.09 2cbn h ALA 218 Cb 0.59 0.04 -0.13 0.00 0.00 0.00 0.00 17.79 18.29 2cbn h ALA 218 CO -0.07 -0.81 0.42 0.00 0.00 0.00 0.00 179.25 178.79 2cbn h ALA 219 N 1.36 1.52 -0.15 0.00 0.00 -1.75 -0.42 119.26 119.82 2cbn h ALA 219 Ca 0.23 0.17 -0.12 0.00 0.00 0.00 0.00 54.91 55.19 2cbn h ALA 219 Cb 1.34 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 19.27 2cbn h ALA 219 CO -0.00 -0.37 -0.42 1.25 0.00 0.00 0.00 179.25 179.70 2cbn h LEU 220 N 0.39 0.36 0.36 0.00 6.46 -1.65 -2.53 115.31 118.70 2cbn h LEU 220 Ca 0.59 -0.16 -0.02 0.00 -0.12 0.00 0.00 57.88 58.17 2cbn h LEU 220 Cb 1.16 -0.10 0.00 0.00 -0.73 0.00 0.00 40.66 40.99 2cbn h LEU 220 CO -0.55 0.75 -0.17 0.44 -0.62 0.00 0.00 178.44 178.29 2cbn h ASP 221 N 0.29 -0.41 -0.68 1.25 3.32 -1.28 0.62 116.42 119.53 2cbn h ASP 221 Ca 0.02 -0.13 0.14 0.00 0.02 0.00 0.00 57.03 57.08 2cbn h ASP 221 Cb 0.87 0.11 -0.13 0.00 0.22 0.00 0.00 39.33 40.39 2cbn h ASP 221 CO 0.07 -0.08 -0.15 0.25 -1.72 0.00 0.00 179.24 177.62 2cbn h LEU 222 N -0.78 -0.59 -0.31 1.55 6.46 -1.45 -2.52 115.31 117.67 2cbn h LEU 222 Ca -0.05 0.20 -0.14 0.00 -0.12 0.00 0.00 57.88 57.78 2cbn h LEU 222 Cb 0.52 0.41 -0.00 0.00 -0.73 0.00 0.00 40.66 40.85 2cbn h LEU 222 CO 0.08 -0.22 -0.33 0.00 -0.62 0.00 0.00 178.44 177.35 2cbn h ALA 223 N 1.68 0.46 0.00 1.25 0.00 -1.35 -3.45 119.26 117.84 2cbn h ALA 223 Ca 0.33 -0.43 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 2cbn h ALA 223 Cb 0.52 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.21 2cbn h ALA 223 CO -0.69 0.51 0.04 0.36 0.00 0.00 0.00 179.25 179.47 2cbn n LYS 224 N -4.19 0.00 -0.80 0.00 0.00 0.20 -1.27 118.16 112.10 2cbn n LYS 224 Ca -0.04 0.00 -0.04 0.00 -0.00 0.00 0.00 58.31 58.24 2cbn n LYS 224 Cb 0.50 -0.04 -0.02 0.00 -0.00 0.00 0.00 35.03 35.48 2cbn n LYS 224 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2cbn n GLY 225 N 0.19 0.38 3.75 2.58 0.00 0.70 -4.94 105.19 107.84 2cbn n GLY 225 Ca 0.01 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.67 2cbn n GLY 225 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2cbn s VAL 226 N -1.02 2.51 0.06 1.61 -7.23 -0.39 -4.78 120.40 111.16 2cbn s VAL 226 Ca 0.00 0.31 -0.34 0.00 -1.81 0.00 0.00 61.98 60.14 2cbn s VAL 226 Cb 0.00 -3.11 -0.19 0.00 0.56 0.00 0.00 36.38 33.64 2cbn s VAL 226 CO 0.00 -0.07 1.53 0.44 -0.31 0.00 0.00 175.10 176.69 2cbn h ASP 227 N 0.77 -0.91 -3.52 4.85 3.32 0.11 -2.30 116.42 118.75 2cbn h ASP 227 Ca -0.50 0.02 -0.68 0.00 0.02 0.00 0.00 57.03 55.89 2cbn h ASP 227 Cb 1.30 0.23 -0.31 0.00 0.22 0.00 0.00 39.33 40.78 2cbn h ASP 227 CO 0.55 -0.62 -0.86 -0.69 -1.72 0.00 0.00 179.24 175.90 2cbn s VAL 228 N -5.83 2.28 -0.23 -1.35 1.01 -0.94 -0.62 120.40 114.73 2cbn s VAL 228 Ca -0.18 -0.95 0.02 0.00 0.00 0.00 0.00 61.98 60.87 2cbn s VAL 228 Cb 0.03 -1.88 0.05 0.00 0.00 0.00 0.00 36.38 34.57 2cbn s VAL 228 CO 0.59 0.56 -0.14 -0.32 0.00 0.00 0.00 175.10 175.79 2cbn s MET 229 N 0.19 2.50 -0.34 2.72 1.75 -0.31 -1.50 119.30 124.31 2cbn s MET 229 Ca -0.13 -1.17 -0.16 0.00 -1.25 0.00 0.00 55.69 52.98 2cbn s MET 229 Cb -0.16 -2.79 -0.01 0.00 2.84 0.00 0.00 34.83 34.71 2cbn s MET 229 CO 0.07 -0.45 0.42 0.08 -0.65 0.00 0.00 175.02 174.49 2cbn s VAL 230 N 1.17 5.11 -0.00 10.11 1.01 0.40 -1.16 120.40 137.04 2cbn s VAL 230 Ca -0.04 0.21 0.02 0.00 0.00 0.00 0.00 61.98 62.17 2cbn s VAL 230 Cb -0.18 -3.87 -0.01 0.00 0.00 0.00 0.00 36.38 32.33 2cbn s VAL 230 CO -0.08 -0.12 -0.05 -2.28 0.00 0.00 0.00 175.10 172.58 2cbn s HIS 231 N 2.17 0.47 0.70 5.22 5.04 -0.28 -1.28 115.29 127.32 2cbn s HIS 231 Ca 0.15 -0.11 -0.14 0.00 -1.54 0.00 0.00 55.06 53.41 2cbn s HIS 231 Cb -0.16 -0.30 0.02 0.00 0.04 0.00 0.00 32.58 32.18 2cbn s HIS 231 CO 0.12 -0.01 1.14 -1.83 -2.34 0.00 0.00 174.74 171.82 2cbn s GLU 232 N -0.20 2.46 -0.40 2.88 -1.05 -1.26 -2.34 118.70 118.79 2cbn s GLU 232 Ca 0.01 1.51 0.10 0.00 -0.15 0.00 0.00 54.97 56.44 2cbn s GLU 232 Cb -0.02 -1.90 0.32 0.00 -0.44 0.00 0.00 34.13 32.08 2cbn s GLU 232 CO -0.00 -1.54 0.78 0.00 0.95 0.00 0.00 175.26 175.45 2cbn n ALA 233 N -2.67 1.27 -0.20 -0.84 0.00 0.03 -4.74 120.51 113.36 2cbn n ALA 233 Ca 0.11 -2.86 -0.02 0.00 0.00 0.00 0.00 53.44 50.67 2cbn n ALA 233 Cb 0.51 -0.98 0.09 0.00 0.00 0.00 0.00 19.45 19.07 2cbn n ALA 233 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 2cbn h THR 234 N 1.75 0.88 -2.98 0.00 2.02 -1.51 -3.42 112.91 109.66 2cbn h THR 234 Ca 0.04 -0.18 -0.43 0.00 0.77 0.00 0.00 66.41 66.61 2cbn h THR 234 Cb 0.98 0.32 -0.14 0.00 -1.74 0.00 0.00 68.15 67.57 2cbn h THR 234 CO 0.41 0.09 -0.70 -0.76 0.37 0.00 0.00 175.52 174.93 2cbn s LEU 235 N -10.32 2.48 0.97 2.58 1.43 -1.22 -2.20 118.68 112.40 2cbn s LEU 235 Ca -0.13 -1.09 -0.15 0.00 -1.03 0.00 0.00 54.13 51.73 2cbn s LEU 235 Cb 0.16 -0.54 0.19 0.00 0.03 0.00 0.00 46.19 46.02 2cbn s LEU 235 CO 0.75 -0.30 1.22 1.51 0.23 0.00 0.00 176.35 179.76 2cbn s ASP 236 N -3.32 2.99 0.18 2.29 1.47 -1.26 -1.22 116.67 117.80 2cbn s ASP 236 Ca 0.24 0.55 -0.13 0.00 1.18 0.00 0.00 52.55 54.40 2cbn s ASP 236 Cb 0.02 -0.81 0.18 0.00 -0.34 0.00 0.00 42.92 41.97 2cbn s ASP 236 CO 0.07 -2.84 1.74 0.40 0.68 0.00 0.00 175.17 175.22 2cbn h ILE 237 N -1.70 0.79 0.00 2.11 2.04 -1.97 -1.98 117.51 116.80 2cbn h ILE 237 Ca -0.46 -0.11 0.00 0.00 1.00 0.00 0.00 64.86 65.29 2cbn h ILE 237 Cb 1.28 0.45 0.00 0.00 -0.74 0.00 0.00 36.82 37.81 2cbn h ILE 237 CO 0.46 0.06 0.00 0.35 0.00 0.00 0.00 178.15 179.02 2cbn n THR 238 N -5.04 1.90 -0.23 -0.27 -2.24 -1.26 -1.23 114.28 105.92 2cbn n THR 238 Ca 0.05 0.48 0.04 0.00 -2.27 0.00 0.00 64.05 62.34 2cbn n THR 238 Cb 0.22 -1.47 0.09 0.00 -2.10 0.00 0.00 70.33 67.07 2cbn n THR 238 CO 0.00 0.00 0.00 0.23 -0.57 0.00 0.00 175.07 174.73 2cbn n MET 239 N -1.48 2.81 -0.34 -0.78 2.81 -0.75 -4.77 117.12 114.61 2cbn n MET 239 Ca 0.00 -1.90 0.18 0.00 -1.81 0.00 0.00 57.70 54.17 2cbn n MET 239 Cb 0.01 -1.21 0.40 0.00 -0.71 0.00 0.00 33.22 31.71 2cbn n MET 239 CO 0.00 0.00 0.00 1.49 1.51 0.00 0.00 175.97 178.97 2cbn h GLU 240 N 0.95 0.55 -0.16 0.03 4.81 -1.08 0.96 114.58 120.64 2cbn h GLU 240 Ca 0.00 -0.03 -0.04 0.00 -0.13 0.00 0.00 59.36 59.15 2cbn h GLU 240 Cb 0.70 -0.12 -0.00 0.00 0.63 0.00 0.00 28.75 29.95 2cbn h GLU 240 CO 0.02 0.36 -0.06 0.00 -0.73 0.00 0.00 179.01 178.60 2cbn h ALA 241 N 1.70 0.22 0.15 2.92 0.00 -1.86 0.12 119.26 122.52 2cbn h ALA 241 Ca 0.63 -0.26 0.02 0.00 0.00 0.00 0.00 54.91 55.29 2cbn h ALA 241 Cb 1.24 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.94 2cbn h ALA 241 CO -0.42 0.02 -0.28 -0.22 0.00 0.00 0.00 179.25 178.34 2cbn h LYS 242 N 0.01 -0.50 0.01 0.00 3.64 -1.58 -0.11 116.57 118.03 2cbn h LYS 242 Ca 0.04 0.03 0.01 0.00 -1.27 0.00 0.00 60.65 59.47 2cbn h LYS 242 Cb 0.53 0.11 -0.04 0.00 -0.41 0.00 0.00 32.23 32.42 2cbn h LYS 242 CO 0.02 -0.33 -0.38 0.00 -2.27 0.00 0.00 179.45 176.49 2cbn h ALA 243 N 0.16 -0.82 -1.04 5.00 0.00 -0.77 -1.88 119.26 119.92 2cbn h ALA 243 Ca 0.02 -0.06 0.28 0.00 0.00 0.00 0.00 54.91 55.15 2cbn h ALA 243 Cb 0.53 0.82 -0.07 0.00 0.00 0.00 0.00 17.79 19.06 2cbn h ALA 243 CO -0.14 -0.93 0.70 -0.91 0.00 0.00 0.00 179.25 177.96 2cbn h ASN 244 N -0.48 0.29 0.72 0.00 2.35 -0.53 0.21 115.58 118.14 2cbn h ASN 244 Ca 0.01 0.05 -0.01 0.00 -0.55 0.00 0.00 56.30 55.79 2cbn h ASN 244 Cb 0.51 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.88 2cbn h ASN 244 CO -0.25 0.07 -0.06 0.77 -1.65 0.00 0.00 177.43 176.31 2cbn h SER 245 N 0.26 0.00 -0.39 5.81 4.64 -0.16 -2.83 113.55 120.88 2cbn h SER 245 Ca 0.55 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.87 2cbn h SER 245 Cb 1.66 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.75 2cbn h SER 245 CO -0.19 0.06 0.00 0.54 -0.87 0.00 0.00 176.83 176.38 2cbn n ARG 246 N -3.24 2.98 -2.15 4.77 1.74 -0.02 -4.96 116.66 115.77 2cbn n ARG 246 Ca -0.01 -2.37 0.00 0.00 -0.77 0.00 0.00 57.85 54.70 2cbn n ARG 246 Cb 0.28 -1.49 0.00 0.00 -1.02 0.00 0.00 32.46 30.23 2cbn n ARG 246 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2cbn n GLY 247 N 0.43 0.57 3.51 -0.13 0.00 -1.07 -4.50 105.19 104.00 2cbn n GLY 247 Ca 0.16 -0.82 -0.24 0.00 0.00 0.00 0.00 46.02 45.13 2cbn n GLY 247 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2cbn s HIS 248 N -2.32 2.17 0.18 1.61 3.76 -0.71 -2.19 115.29 117.79 2cbn s HIS 248 Ca 0.00 -0.85 0.11 0.00 -0.15 0.00 0.00 55.06 54.17 2cbn s HIS 248 Cb 0.00 -1.47 -0.04 0.00 1.11 0.00 0.00 32.58 32.18 2cbn s HIS 248 CO 0.00 0.18 -0.24 -1.12 -0.85 0.00 0.00 174.74 172.71 2cbn s SER 249 N -3.57 3.32 0.57 1.40 0.01 -0.86 -2.82 113.70 111.74 2cbn s SER 249 Ca 0.36 -0.85 -0.01 0.00 1.31 0.00 0.00 55.95 56.75 2cbn s SER 249 Cb 0.09 -0.24 0.03 0.00 0.21 0.00 0.00 66.02 66.11 2cbn s SER 249 CO 0.16 0.11 0.82 -0.94 0.41 0.00 0.00 173.24 173.80 2cbn s SER 250 N -2.59 5.32 0.13 2.44 1.04 -1.26 -2.87 113.70 115.91 2cbn s SER 250 Ca 0.19 0.22 -0.28 0.00 0.48 0.00 0.00 55.95 56.57 2cbn s SER 250 Cb -0.08 -1.14 -0.05 0.00 0.10 0.00 0.00 66.02 64.86 2cbn s SER 250 CO 0.09 -1.15 1.59 0.71 0.98 0.00 0.00 173.24 175.47 2cbn h THR 251 N -0.04 0.21 -0.30 2.02 1.35 -1.39 -2.40 112.91 112.35 2cbn h THR 251 Ca -0.44 0.00 0.01 0.00 -0.55 0.00 0.00 66.41 65.44 2cbn h THR 251 Cb 1.29 0.21 -0.02 0.00 -1.73 0.00 0.00 68.15 67.89 2cbn h THR 251 CO 0.56 0.00 0.17 0.08 -0.25 0.00 0.00 175.52 176.07 2cbn h ARG 252 N -0.47 0.33 -0.96 4.72 0.11 -1.88 -2.21 114.38 114.03 2cbn h ARG 252 Ca 0.08 -0.02 0.21 0.00 0.10 0.00 0.00 59.98 60.35 2cbn h ARG 252 Cb 0.60 -0.07 -0.12 0.00 1.11 0.00 0.00 29.97 31.49 2cbn h ARG 252 CO -0.36 0.22 0.53 1.96 0.10 0.00 0.00 179.97 182.42 2cbn h GLN 253 N 0.34 0.57 -0.03 0.08 4.20 -1.86 0.11 115.11 118.53 2cbn h GLN 253 Ca 0.12 -0.03 -0.01 0.00 0.06 0.00 0.00 58.65 58.78 2cbn h GLN 253 Cb 0.01 -0.13 -0.00 0.00 0.30 0.00 0.00 27.48 27.66 2cbn h GLN 253 CO -0.06 0.38 -0.02 0.00 -0.67 0.00 0.00 178.83 178.45 2cbn h ALA 254 N 1.68 0.04 -0.07 3.87 0.00 -0.94 -2.30 119.26 121.55 2cbn h ALA 254 Ca 0.58 -0.25 0.01 0.00 0.00 0.00 0.00 54.91 55.26 2cbn h ALA 254 Cb 1.03 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 2cbn h ALA 254 CO -0.45 -0.21 -0.00 0.00 0.00 0.00 0.00 179.25 178.58 2cbn h ALA 255 N 0.55 0.06 -0.71 0.00 0.00 -0.77 -0.33 119.26 118.05 2cbn h ALA 255 Ca 0.00 0.02 0.07 0.00 0.00 0.00 0.00 54.91 55.00 2cbn h ALA 255 Cb 0.49 0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.28 2cbn h ALA 255 CO 0.01 -0.48 0.46 1.15 0.00 0.00 0.00 179.25 180.39 2cbn h THR 256 N 0.02 1.01 -0.25 0.00 2.02 -0.86 0.11 112.91 114.95 2cbn h THR 256 Ca 0.03 -0.24 -0.18 0.00 0.77 0.00 0.00 66.41 66.79 2cbn h THR 256 Cb 0.04 0.23 -0.00 0.00 -1.74 0.00 0.00 68.15 66.68 2cbn h THR 256 CO -0.06 0.13 -0.56 0.25 0.37 0.00 0.00 175.52 175.65 2cbn h LEU 257 N 0.71 0.87 0.30 2.58 6.46 -0.97 0.35 115.31 125.62 2cbn h LEU 257 Ca 0.31 -0.47 0.00 0.00 -0.12 0.00 0.00 57.88 57.60 2cbn h LEU 257 Cb 0.29 -0.25 -0.03 0.00 -0.73 0.00 0.00 40.66 39.94 2cbn h LEU 257 CO -0.10 1.25 -0.40 0.00 -0.62 0.00 0.00 178.44 178.57 2cbn h ALA 258 N 0.76 -0.82 0.44 1.25 0.00 0.67 0.49 119.26 122.06 2cbn h ALA 258 Ca 0.01 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 2cbn h ALA 258 Cb 1.15 0.61 -0.03 0.00 0.00 0.00 0.00 17.79 19.52 2cbn h ALA 258 CO 0.12 -1.01 -0.50 -0.09 0.00 0.00 0.00 179.25 177.77 2cbn h ARG 259 N -0.76 -0.92 -1.04 0.00 2.43 -0.74 -1.64 114.38 111.72 2cbn h ARG 259 Ca -0.01 0.06 0.32 0.00 -0.81 0.00 0.00 59.98 59.54 2cbn h ARG 259 Cb 0.71 0.21 -0.14 0.00 -0.42 0.00 0.00 29.97 30.32 2cbn h ARG 259 CO -0.12 -0.61 0.61 1.49 -1.51 0.00 0.00 179.97 179.82 2cbn h GLU 260 N -0.96 0.32 -0.02 0.20 4.57 -0.09 0.12 114.58 118.71 2cbn h GLU 260 Ca -0.05 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.11 2cbn h GLU 260 Cb 0.85 -0.07 0.00 0.00 -0.16 0.00 0.00 28.75 29.37 2cbn h GLU 260 CO -0.10 0.21 0.00 0.00 -1.18 0.00 0.00 179.01 177.94 2cbn n ALA 261 N -2.33 2.56 -3.27 2.92 0.00 0.15 -4.99 120.51 115.56 2cbn n ALA 261 Ca 0.31 -0.47 -0.26 0.00 0.00 0.00 0.00 53.44 53.03 2cbn n ALA 261 Cb 1.00 -1.13 0.02 0.00 0.00 0.00 0.00 19.45 19.35 2cbn n ALA 261 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2cbn n GLY 262 N 1.19 -0.51 3.49 0.00 0.00 0.41 -0.22 105.19 109.56 2cbn n GLY 262 Ca 0.18 1.15 -0.27 0.00 0.00 0.00 0.00 46.02 47.09 2cbn n GLY 262 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2cbn s VAL 263 N -2.03 2.73 0.00 1.61 -7.23 -1.22 -2.59 120.40 111.67 2cbn s VAL 263 Ca 0.30 -1.88 -0.24 0.00 -1.81 0.00 0.00 61.98 58.34 2cbn s VAL 263 Cb -0.05 -2.34 -0.15 0.00 0.56 0.00 0.00 36.38 34.41 2cbn s VAL 263 CO 0.83 -0.13 1.10 1.23 -0.31 0.00 0.00 175.10 177.82 2cbn h GLY 264 N 3.02 -0.64 -4.06 2.32 0.00 -0.48 -3.47 103.07 99.77 2cbn h GLY 264 Ca -0.46 0.24 -0.42 0.00 0.00 0.00 0.00 47.33 46.69 2cbn h GLY 264 CO 0.51 -0.23 -0.77 1.25 0.00 0.00 0.00 176.54 177.30 2cbn s LYS 265 N -4.44 0.93 -0.13 4.80 2.20 0.21 -4.86 119.74 118.44 2cbn s LYS 265 Ca -0.13 -1.10 0.02 0.00 -0.36 0.00 0.00 55.97 54.40 2cbn s LYS 265 Cb 0.02 -0.88 0.01 0.00 -1.51 0.00 0.00 37.83 35.47 2cbn s LYS 265 CO 0.46 0.18 -0.19 -1.17 -0.36 0.00 0.00 175.35 174.27 2cbn s LEU 266 N -2.09 1.97 -0.24 5.43 2.96 -0.04 -1.16 118.68 125.52 2cbn s LEU 266 Ca 0.04 -0.55 -0.01 0.00 -0.22 0.00 0.00 54.13 53.39 2cbn s LEU 266 Cb -0.07 -1.33 0.03 0.00 0.50 0.00 0.00 46.19 45.31 2cbn s LEU 266 CO 0.03 0.05 -0.08 -0.63 -1.32 0.00 0.00 176.35 174.39 2cbn s ILE 267 N 0.93 2.73 0.15 6.68 1.01 -0.31 0.25 121.20 132.66 2cbn s ILE 267 Ca -0.05 -1.05 -0.08 0.00 0.00 0.00 0.00 60.65 59.47 2cbn s ILE 267 Cb -0.15 -2.37 -0.06 0.00 0.01 0.00 0.00 42.46 39.89 2cbn s ILE 267 CO -0.03 0.23 0.44 0.27 0.00 0.00 0.00 174.94 175.85 2cbn s ILE 268 N 1.31 5.07 0.00 2.92 -4.36 -0.18 -1.13 121.20 124.83 2cbn s ILE 268 Ca 0.00 0.29 0.00 0.00 -0.26 0.00 0.00 60.65 60.68 2cbn s ILE 268 Cb -0.16 -3.63 0.00 0.00 1.25 0.00 0.00 42.46 39.92 2cbn s ILE 268 CO -0.06 0.07 0.00 0.35 0.24 0.00 0.00 174.94 175.55 2cbn n THR 269 N 0.24 0.00 -3.60 8.37 -2.24 -0.99 -2.00 114.28 114.05 2cbn n THR 269 Ca -0.03 0.00 -0.21 0.00 -2.27 0.00 0.00 64.05 61.55 2cbn n THR 269 Cb 0.52 0.00 0.05 0.00 -2.10 0.00 0.00 70.33 68.80 2cbn n THR 269 CO 0.00 0.00 0.00 1.57 -0.57 0.00 0.00 175.07 176.07 2cbn n HIS 270 N 0.00 -2.01 -3.10 4.78 -0.00 -0.92 -0.79 115.22 113.18 2cbn n HIS 270 Ca 0.00 0.84 -0.36 0.00 -0.00 0.00 0.00 57.72 58.20 2cbn n HIS 270 Cb 0.00 -4.45 -0.06 0.00 -0.00 0.00 0.00 29.99 25.48 2cbn n HIS 270 CO 0.00 0.00 0.00 0.14 -0.00 0.00 0.00 176.34 176.48 2cbn s VAL 271 N -3.57 4.57 0.31 3.57 -7.23 -1.03 -3.27 120.40 113.75 2cbn s VAL 271 Ca 0.07 1.27 -0.29 0.00 -1.81 0.00 0.00 61.98 61.22 2cbn s VAL 271 Cb -0.02 -3.84 -0.11 0.00 0.56 0.00 0.00 36.38 32.97 2cbn s VAL 271 CO 0.79 0.18 1.49 -0.55 -0.31 0.00 0.00 175.10 176.70 2cbn s SER 272 N -1.69 6.48 0.04 4.85 0.15 -0.94 -1.02 113.70 121.58 2cbn s SER 272 Ca 0.44 2.88 0.05 0.00 0.70 0.00 0.00 55.95 60.02 2cbn s SER 272 Cb -0.16 -2.64 0.26 0.00 -1.71 0.00 0.00 66.02 61.76 2cbn s SER 272 CO 0.21 -0.80 1.17 -1.54 1.20 0.00 0.00 173.24 173.47 2cbn n SER 273 N 1.52 0.08 0.08 5.45 3.41 -1.26 -1.80 113.62 121.11 2cbn n SER 273 Ca 0.05 0.53 -0.02 0.00 -0.26 0.00 0.00 58.87 59.17 2cbn n SER 273 Cb 0.39 -0.55 0.24 0.00 -0.26 0.00 0.00 64.21 64.04 2cbn n SER 273 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 175.04 174.96 2cbn h ARG 274 N 0.00 0.29 -6.29 4.33 0.11 -1.95 -3.43 114.38 107.44 2cbn h ARG 274 Ca 0.00 -0.12 -0.57 0.00 0.10 0.00 0.00 59.98 59.40 2cbn h ARG 274 Cb 0.05 -0.01 -0.04 0.00 1.11 0.00 0.00 29.97 31.08 2cbn h ARG 274 CO 0.00 0.60 0.00 0.71 0.10 0.00 0.00 179.97 181.38 2cbn s TYR 275 N -4.30 3.82 0.65 4.08 2.02 -0.74 -5.07 117.35 117.81 2cbn s TYR 275 Ca -0.05 1.34 0.06 0.00 -0.37 0.00 0.00 57.07 58.04 2cbn s TYR 275 Cb 0.14 -2.54 0.11 0.00 -0.40 0.00 0.00 41.96 39.27 2cbn s TYR 275 CO 0.77 0.58 0.89 0.16 -1.57 0.00 0.00 175.55 176.38 2cbn s ASP 276 N -1.12 4.73 0.25 2.29 1.47 -1.26 -4.81 116.67 118.22 2cbn s ASP 276 Ca 0.30 -0.72 -0.11 0.00 1.18 0.00 0.00 52.55 53.20 2cbn s ASP 276 Cb -0.20 0.30 0.35 0.00 -0.34 0.00 0.00 42.92 43.03 2cbn s ASP 276 CO 0.20 -1.61 1.59 0.44 0.68 0.00 0.00 175.17 176.47 2cbn h ASP 277 N -0.14 -0.80 -0.41 2.11 5.19 -1.99 0.97 116.42 121.34 2cbn h ASP 277 Ca -0.31 0.25 -0.04 0.00 -0.62 0.00 0.00 57.03 56.31 2cbn h ASP 277 Cb 1.28 0.52 -0.02 0.00 0.18 0.00 0.00 39.33 41.29 2cbn h ASP 277 CO 0.39 -0.28 0.09 0.11 -3.12 0.00 0.00 179.24 176.44 2cbn h LYS 278 N -0.00 0.67 -0.44 3.56 1.57 -1.99 -2.35 116.57 117.58 2cbn h LYS 278 Ca 0.40 -0.17 0.11 0.00 -1.87 0.00 0.00 60.65 59.12 2cbn h LYS 278 Cb 0.61 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.81 2cbn h LYS 278 CO -0.86 0.69 0.31 0.78 -0.57 0.00 0.00 179.45 179.80 2cbn h GLY 279 N 0.53 0.13 2.00 3.86 0.00 -1.23 0.19 103.07 108.56 2cbn h GLY 279 Ca 0.13 -0.04 -0.05 0.00 0.00 0.00 0.00 47.33 47.37 2cbn h GLY 279 CO 0.00 0.02 -0.24 0.00 0.00 0.00 0.00 176.54 176.33 2cbn h GLN 281 N 0.00 0.00 -0.05 0.00 1.08 -0.31 -2.10 115.11 113.73 2cbn h GLN 281 Ca -0.00 0.00 -0.17 0.00 -1.45 0.00 0.00 58.65 57.03 2cbn h GLN 281 Cb 1.03 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.45 2cbn h GLN 281 CO 0.03 0.83 -0.70 1.25 -0.95 0.00 0.00 178.83 179.29 2cbn h HIS 282 N 0.00 0.35 -0.24 2.96 2.76 -0.79 -1.77 115.15 118.42 2cbn h HIS 282 Ca -0.03 -0.15 -0.03 0.00 -2.20 0.00 0.00 60.37 57.95 2cbn h HIS 282 Cb 1.69 -0.06 -0.01 0.00 1.55 0.00 0.00 27.41 30.59 2cbn h HIS 282 CO 0.00 0.88 0.02 -0.07 -1.30 0.00 0.00 177.93 177.46 2cbn h LEU 283 N 0.18 0.40 -0.38 0.26 3.38 -1.13 -2.51 115.31 115.51 2cbn h LEU 283 Ca -0.02 -0.28 0.06 0.00 0.09 0.00 0.00 57.88 57.73 2cbn h LEU 283 Cb 1.25 -0.11 -0.05 0.00 0.09 0.00 0.00 40.66 41.84 2cbn h LEU 283 CO 0.11 0.58 0.07 0.25 0.09 0.00 0.00 178.44 179.54 2cbn h LEU 284 N 0.21 -0.01 -0.51 1.67 6.46 -1.22 -1.62 115.31 120.29 2cbn h LEU 284 Ca 0.07 0.07 0.07 0.00 -0.12 0.00 0.00 57.88 57.97 2cbn h LEU 284 Cb 0.36 0.09 -0.06 0.00 -0.73 0.00 0.00 40.66 40.32 2cbn h LEU 284 CO 0.01 0.03 0.17 0.03 -0.62 0.00 0.00 178.44 178.06 2cbn h ARG 285 N 0.19 0.32 -0.31 1.25 3.08 -1.23 0.93 114.38 118.62 2cbn h ARG 285 Ca 0.18 -0.02 0.06 0.00 0.07 0.00 0.00 59.98 60.27 2cbn h ARG 285 Cb 0.22 -0.07 -0.06 0.00 0.08 0.00 0.00 29.97 30.14 2cbn h ARG 285 CO -0.25 0.21 -0.07 0.93 -1.07 0.00 0.00 179.97 179.73 2cbn h GLU 286 N 0.33 0.01 0.00 0.04 5.08 -0.86 -0.40 114.58 118.79 2cbn h GLU 286 Ca 0.25 -0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.61 2cbn h GLU 286 Cb 0.29 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.53 2cbn h GLU 286 CO -0.27 0.01 -0.00 0.00 -1.00 0.00 0.00 179.01 177.75 2cbn h ARG 288 N -0.10 0.63 -0.41 0.00 3.08 -0.30 -1.25 114.38 116.03 2cbn h ARG 288 Ca -0.00 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.01 2cbn h ARG 288 Cb 0.10 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 30.01 2cbn h ARG 288 CO 0.00 0.41 0.00 -1.13 -1.07 0.00 0.00 179.97 178.19 2cbn n SER 289 N -4.50 0.41 0.00 7.04 3.41 -0.21 -1.89 113.62 117.88 2cbn n SER 289 Ca 0.13 -1.48 0.00 0.00 -0.26 0.00 0.00 58.87 57.26 2cbn n SER 289 Cb 0.36 -0.21 0.00 0.00 -0.26 0.00 0.00 64.21 64.10 2cbn n SER 289 CO 0.00 0.00 0.00 -0.38 -0.16 0.00 0.00 175.04 174.50 2cbn n ILE 290 N -0.15 0.00 0.00 -1.33 5.41 -0.53 -4.98 119.36 117.78 2cbn n ILE 290 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.75 2cbn n ILE 290 Cb 0.10 0.86 0.00 0.00 -0.71 0.00 0.00 39.64 39.90 2cbn n ILE 290 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 176.55 176.88 2cbn n PHE 291 N 0.00 0.00 -0.11 1.39 7.35 -0.83 -4.51 117.46 120.75 2cbn n PHE 291 Ca 0.00 0.00 0.27 0.00 -0.76 0.00 0.00 57.45 56.96 2cbn n PHE 291 Cb 0.42 0.00 0.72 0.00 0.35 0.00 0.00 39.48 40.96 2cbn n PHE 291 CO 0.00 0.00 0.00 -1.00 -0.76 0.00 0.00 176.76 175.00 2cbn h PRO 292 N 0.00 0.00 -2.06 -7.13 0.13 -1.61 -3.19 132.00 118.13 2cbn h PRO 292 Ca 0.00 0.00 -0.37 0.00 -0.87 0.00 0.00 66.00 64.76 2cbn h PRO 292 Cb 0.00 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 31.01 2cbn h PRO 292 CO 0.00 0.00 0.23 0.00 -0.23 0.00 0.00 178.00 178.00 2cbn n ALA 293 N -2.57 6.48 -2.47 -0.56 0.00 -1.26 -4.85 120.51 115.28 2cbn n ALA 293 Ca 0.16 -2.53 -0.31 0.00 0.00 0.00 0.00 53.44 50.76 2cbn n ALA 293 Cb 0.92 -2.30 -0.12 0.00 0.00 0.00 0.00 19.45 17.95 2cbn n ALA 293 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2cbn s THR 294 N -0.51 2.90 0.05 0.00 2.01 -1.21 -0.86 115.64 118.02 2cbn s THR 294 Ca 0.63 -1.11 0.02 0.00 0.31 0.00 0.00 61.69 61.54 2cbn s THR 294 Cb 0.34 -2.22 -0.03 0.00 0.01 0.00 0.00 72.50 70.60 2cbn s THR 294 CO -0.11 0.36 -0.07 -1.61 -0.69 0.00 0.00 174.62 172.50 2cbn s GLU 295 N -1.38 0.56 -0.24 4.92 2.02 0.14 -4.91 118.70 119.82 2cbn s GLU 295 Ca 0.15 -0.84 -0.15 0.00 0.02 0.00 0.00 54.97 54.16 2cbn s GLU 295 Cb -0.11 -0.26 -0.04 0.00 0.10 0.00 0.00 34.13 33.82 2cbn s GLU 295 CO 0.05 0.04 0.35 -1.17 0.02 0.00 0.00 175.26 174.55 2cbn s LEU 296 N -1.79 4.10 0.55 1.80 0.20 -1.26 -1.01 118.68 121.27 2cbn s LEU 296 Ca -0.07 0.35 -0.17 0.00 0.69 0.00 0.00 54.13 54.93 2cbn s LEU 296 Cb -0.08 -2.41 -0.06 0.00 -0.43 0.00 0.00 46.19 43.22 2cbn s LEU 296 CO -0.00 -0.10 1.04 0.00 -0.29 0.00 0.00 176.35 176.99 2cbn s ALA 297 N 1.60 2.83 0.04 5.97 0.00 -0.85 -4.95 121.76 126.41 2cbn s ALA 297 Ca 0.15 0.42 -0.03 0.00 0.00 0.00 0.00 51.96 52.50 2cbn s ALA 297 Cb -0.15 -3.22 -0.02 0.00 0.00 0.00 0.00 23.12 19.73 2cbn s ALA 297 CO 0.08 -0.57 0.04 -0.80 0.00 0.00 0.00 175.76 174.51 2cbn s ASN 298 N -2.61 0.30 0.11 0.00 0.01 -1.26 -4.94 114.94 106.55 2cbn s ASN 298 Ca 0.64 -0.71 -0.31 0.00 -0.71 0.00 0.00 52.86 51.76 2cbn s ASN 298 Cb -0.15 0.21 -0.11 0.00 0.41 0.00 0.00 41.25 41.61 2cbn s ASN 298 CO 0.31 -0.53 1.83 0.47 -1.51 0.00 0.00 177.10 177.68 2cbn n ASP 299 N 0.59 3.97 0.00 -1.22 9.92 -1.26 -0.59 116.55 127.96 2cbn n ASP 299 Ca -0.18 0.99 0.00 0.00 -0.53 0.00 0.00 54.79 55.07 2cbn n ASP 299 Cb 0.59 -1.53 0.00 0.00 -0.64 0.00 0.00 41.12 39.54 2cbn n ASP 299 CO 0.00 0.00 0.00 0.49 0.13 0.00 0.00 177.20 177.82 2cbn n PHE 300 N 5.64 0.00 -2.42 1.24 3.01 0.41 -5.00 117.46 120.34 2cbn n PHE 300 Ca 0.18 0.00 -0.37 0.00 1.01 0.00 0.00 57.45 58.27 2cbn n PHE 300 Cb 0.37 -0.15 -0.03 0.00 -0.01 0.00 0.00 39.48 39.66 2cbn n PHE 300 CO 0.00 0.00 0.00 0.99 1.01 0.00 0.00 176.76 178.76 2cbn s THR 301 N -2.90 3.44 0.13 4.37 2.01 0.24 -4.77 115.64 118.18 2cbn s THR 301 Ca 0.00 1.14 0.08 0.00 0.31 0.00 0.00 61.69 63.22 2cbn s THR 301 Cb 0.00 -3.60 -0.04 0.00 0.01 0.00 0.00 72.50 68.87 2cbn s THR 301 CO 0.00 0.04 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.15 2cbn s VAL 302 N -1.56 3.11 -0.04 3.82 1.01 -1.26 -1.90 120.40 123.59 2cbn s VAL 302 Ca 0.58 -1.48 -0.03 0.00 0.00 0.00 0.00 61.98 61.05 2cbn s VAL 302 Cb -0.26 -2.47 0.01 0.00 0.00 0.00 0.00 36.38 33.66 2cbn s VAL 302 CO 0.32 0.04 0.10 -0.36 0.00 0.00 0.00 175.10 175.20 2cbn s PHE 303 N -1.34 -0.11 -0.19 5.22 0.40 0.19 -4.96 117.98 117.19 2cbn s PHE 303 Ca 0.21 0.26 -0.16 0.00 -0.60 0.00 0.00 56.93 56.64 2cbn s PHE 303 Cb -0.10 0.03 -0.04 0.00 0.51 0.00 0.00 43.02 43.42 2cbn s PHE 303 CO 0.13 -0.05 0.41 -0.80 0.70 0.00 0.00 175.22 175.61 2cbn s ASN 304 N 0.07 6.48 0.00 1.36 0.02 -1.26 0.17 114.94 121.77 2cbn s ASN 304 Ca -0.00 0.57 0.31 0.00 -1.02 0.00 0.00 52.86 52.71 2cbn s ASN 304 Cb -0.01 -2.24 1.83 0.00 0.02 0.00 0.00 41.25 40.85 2cbn s ASN 304 CO 0.00 -0.06 2.15 0.52 0.02 0.00 0.00 177.10 179.73