#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bum s LEU 5 N 0.00 3.82 0.12 4.31 1.02 -1.26 -5.11 118.68 121.57 2bum s LEU 5 Ca 0.00 -0.13 -0.16 0.00 0.02 0.00 0.00 54.13 53.87 2bum s LEU 5 Cb 0.00 -2.42 -0.07 0.00 0.02 0.00 0.00 46.19 43.72 2bum s LEU 5 CO 0.00 0.06 0.54 -0.54 0.02 0.00 0.00 176.35 176.43 2bum s LYS 6 N -3.15 4.03 0.35 1.70 1.02 -1.26 -5.03 119.74 117.40 2bum s LYS 6 Ca 0.31 0.54 -0.28 0.00 0.02 0.00 0.00 55.97 56.56 2bum s LYS 6 Cb -0.10 -3.03 -0.12 0.00 -0.52 0.00 0.00 37.83 34.06 2bum s LYS 6 CO 0.24 0.54 1.42 -1.91 -0.92 0.00 0.00 175.35 174.72 2bum n GLU 7 N 1.11 2.45 -1.68 1.68 2.13 -1.26 -4.91 120.64 120.16 2bum n GLU 7 Ca -0.07 0.86 -0.45 0.00 0.66 0.00 0.00 57.16 58.16 2bum n GLU 7 Cb 0.52 -2.54 -0.03 0.00 0.27 0.00 0.00 31.44 29.66 2bum n GLU 7 CO 0.00 0.00 0.00 2.41 -0.41 0.00 0.00 177.13 179.13 2bum n THR 8 N 0.68 0.59 -2.23 6.31 -1.04 -1.26 -4.91 114.28 112.42 2bum n THR 8 Ca 0.04 -0.15 -0.39 0.00 -2.04 0.00 0.00 64.05 61.51 2bum n THR 8 Cb 0.37 -1.53 -0.02 0.00 -1.82 0.00 0.00 70.33 67.33 2bum n THR 8 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 2bum s PRO 9 N 0.08 4.19 0.69 -2.82 0.04 -1.26 -5.02 135.00 130.90 2bum s PRO 9 Ca 0.72 1.99 -0.11 0.00 0.04 0.00 0.00 61.00 63.64 2bum s PRO 9 Cb -0.65 -2.85 0.00 0.00 0.04 0.00 0.00 34.50 31.04 2bum s PRO 9 CO 0.45 -0.25 1.06 0.45 0.04 0.00 0.00 177.00 178.75 2bum s SER 10 N -0.87 5.46 0.07 6.66 0.15 -1.26 -5.08 113.70 118.84 2bum s SER 10 Ca 0.53 1.55 -0.08 0.00 0.70 0.00 0.00 55.95 58.66 2bum s SER 10 Cb -0.34 -2.45 -0.00 0.00 -1.71 0.00 0.00 66.02 61.51 2bum s SER 10 CO 0.44 -1.38 0.17 -1.10 1.20 0.00 0.00 173.24 172.57 2bum s GLN 11 N -5.08 0.77 0.70 5.44 -1.52 -1.19 -4.94 119.66 113.84 2bum s GLN 11 Ca 0.58 -0.88 -0.16 0.00 -1.95 0.00 0.00 55.36 52.94 2bum s GLN 11 Cb -0.13 0.31 0.01 0.00 -0.22 0.00 0.00 33.01 32.98 2bum s GLN 11 CO 0.55 -0.23 1.16 -2.37 -0.25 0.00 0.00 175.29 174.14 2bum n THR 12 N 0.20 3.67 0.21 -0.19 5.66 -1.22 -4.72 114.28 117.89 2bum n THR 12 Ca -0.16 -0.40 0.08 0.00 -3.05 0.00 0.00 64.05 60.51 2bum n THR 12 Cb 0.61 -1.29 0.45 0.00 -1.55 0.00 0.00 70.33 68.55 2bum n THR 12 CO 0.00 0.00 0.00 1.23 -3.05 0.00 0.00 175.07 173.25 2bum h GLY 13 N 0.01 0.00 0.00 1.09 0.00 -1.72 -3.49 103.07 98.95 2bum h GLY 13 Ca -0.49 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.84 2bum h GLY 13 CO 0.50 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.65 2bum n GLY 14 N -0.05 -1.22 0.24 4.60 0.00 -1.26 -3.97 105.19 103.53 2bum n GLY 14 Ca -0.01 -1.60 0.17 0.00 0.00 0.00 0.00 46.02 44.58 2bum n GLY 14 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2bum h PRO 15 N 0.00 0.00 -0.09 1.61 0.13 -1.94 -3.00 132.00 128.71 2bum h PRO 15 Ca 0.00 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.12 2bum h PRO 15 Cb 0.00 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.12 2bum h PRO 15 CO 0.00 0.00 -0.05 0.66 -0.23 0.00 0.00 178.00 178.38 2bum n TYR 16 N -2.66 0.30 -0.06 1.56 4.01 -1.26 -4.67 117.16 114.38 2bum n TYR 16 Ca -0.02 -1.05 -0.01 0.00 -0.16 0.00 0.00 57.90 56.66 2bum n TYR 16 Cb 0.08 -0.22 0.25 0.00 -0.31 0.00 0.00 39.34 39.15 2bum n TYR 16 CO 0.00 0.00 0.00 -0.24 -0.46 0.00 0.00 176.86 176.16 2bum h VAL 17 N 0.61 1.21 -0.00 -0.72 3.04 -1.65 0.95 116.25 119.68 2bum h VAL 17 Ca 0.01 -0.77 0.00 0.00 -1.01 0.00 0.00 66.70 64.93 2bum h VAL 17 Cb 1.15 0.79 0.00 0.00 -2.01 0.00 0.00 31.29 31.22 2bum h VAL 17 CO 0.08 0.28 -0.00 0.00 -1.01 0.00 0.00 177.57 176.91 2bum n HIS 18 N -4.29 0.00 -0.10 3.17 1.44 -1.26 -2.60 115.22 111.58 2bum n HIS 18 Ca 0.03 0.00 -0.21 0.00 -2.01 0.00 0.00 57.72 55.53 2bum n HIS 18 Cb 0.23 -0.03 -0.07 0.00 0.12 0.00 0.00 29.99 30.23 2bum n HIS 18 CO 0.00 0.00 0.00 -0.89 -2.81 0.00 0.00 176.34 172.64 2bum n ILE 19 N -1.00 1.26 0.25 0.61 5.41 -0.44 -4.10 119.36 121.35 2bum n ILE 19 Ca 0.23 -0.23 0.11 0.00 1.00 0.00 0.00 62.75 63.86 2bum n ILE 19 Cb 0.13 -1.87 0.66 0.00 -0.71 0.00 0.00 39.64 37.85 2bum n ILE 19 CO 0.00 0.00 0.00 1.23 0.00 0.00 0.00 176.55 177.78 2bum h GLY 20 N -0.80 0.00 -0.42 7.39 0.00 -0.96 -1.30 103.07 106.99 2bum h GLY 20 Ca -0.47 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.86 2bum h GLY 20 CO -0.29 0.00 -0.47 1.04 0.00 0.00 0.00 176.54 176.83 2bum n LEU 21 N -3.74 1.54 -3.01 3.11 4.77 -1.07 -4.40 117.00 114.20 2bum n LEU 21 Ca -0.02 -0.54 -0.16 0.00 -0.03 0.00 0.00 56.01 55.26 2bum n LEU 21 Cb 0.26 -0.05 -0.01 0.00 -2.33 0.00 0.00 43.42 41.29 2bum n LEU 21 CO 0.32 0.30 -0.17 0.18 -1.33 0.00 0.00 177.39 176.68 2bum n LEU 22 N -0.44 1.31 -0.27 2.23 4.77 -0.97 -4.94 117.00 118.69 2bum n LEU 22 Ca 0.09 -4.70 0.06 0.00 -0.03 0.00 0.00 56.01 51.43 2bum n LEU 22 Cb 0.41 0.54 0.20 0.00 -2.33 0.00 0.00 43.42 42.24 2bum n LEU 22 CO 0.30 2.09 1.04 1.55 -1.33 0.00 0.00 177.39 181.04 2bum h PRO 23 N 2.99 0.48 -0.68 3.23 0.13 -1.46 -1.83 132.00 134.85 2bum h PRO 23 Ca 0.05 -0.03 0.14 0.00 -0.87 0.00 0.00 66.00 65.29 2bum h PRO 23 Cb 1.00 -0.11 -0.13 0.00 0.13 0.00 0.00 31.00 31.89 2bum h PRO 23 CO 0.53 0.32 -0.17 -0.22 -0.23 0.00 0.00 178.00 178.23 2bum h LYS 24 N 0.49 0.00 0.00 0.86 3.11 -1.85 0.46 116.57 119.64 2bum h LYS 24 Ca 0.43 -0.00 -0.03 0.00 -2.81 0.00 0.00 60.65 58.24 2bum h LYS 24 Cb 0.65 -0.00 -0.00 0.00 -1.00 0.00 0.00 32.23 31.87 2bum h LYS 24 CO -0.39 0.00 -0.13 1.96 -2.81 0.00 0.00 179.45 178.07 2bum h GLN 25 N 0.00 0.00 -0.65 1.90 7.50 -1.67 -1.78 115.11 120.42 2bum h GLN 25 Ca 0.33 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.48 2bum h GLN 25 Cb 0.50 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.03 2bum h GLN 25 CO -0.70 0.13 0.00 0.00 -1.50 0.00 0.00 178.83 176.76 2bum n ALA 26 N -2.25 3.19 -3.64 3.87 0.00 0.15 -4.91 120.51 116.92 2bum n ALA 26 Ca -0.01 -1.28 -0.25 0.00 0.00 0.00 0.00 53.44 51.90 2bum n ALA 26 Cb 0.28 -1.05 0.07 0.00 0.00 0.00 0.00 19.45 18.75 2bum n ALA 26 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2bum n ASN 27 N 0.67 -5.86 -4.10 0.00 3.02 -0.67 -4.98 115.26 103.34 2bum n ASN 27 Ca 0.20 -0.58 -0.34 0.00 -0.03 0.00 0.00 54.58 53.82 2bum n ASN 27 Cb 0.80 -4.86 -0.13 0.00 -0.61 0.00 0.00 39.78 34.98 2bum n ASN 27 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2bum s ILE 28 N -3.32 2.86 -1.14 2.41 1.01 -0.32 -5.00 121.20 117.69 2bum s ILE 28 Ca 0.56 -1.98 -0.05 0.00 0.00 0.00 0.00 60.65 59.17 2bum s ILE 28 Cb -0.25 -2.92 0.26 0.00 0.01 0.00 0.00 42.46 39.56 2bum s ILE 28 CO 0.75 -0.51 1.64 -0.62 0.00 0.00 0.00 174.94 176.20 2bum n GLU 29 N 4.49 4.28 0.01 2.79 1.02 -1.26 -3.34 120.64 128.63 2bum n GLU 29 Ca -0.03 -4.23 0.00 0.00 -0.02 0.00 0.00 57.16 52.88 2bum n GLU 29 Cb 0.42 -2.63 -0.10 0.00 -0.02 0.00 0.00 31.44 29.10 2bum n GLU 29 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 2bum n VAL 30 N 1.85 1.02 -4.30 2.62 0.31 -1.26 -4.96 118.33 113.61 2bum n VAL 30 Ca 0.32 -0.69 -0.31 0.00 -0.01 0.00 0.00 64.34 63.65 2bum n VAL 30 Cb 0.33 -0.57 -0.09 0.00 -0.91 0.00 0.00 33.84 32.60 2bum n VAL 30 CO 0.00 0.00 0.00 -0.36 -1.32 0.00 0.00 176.83 175.15 2bum s PHE 31 N -2.96 2.90 -0.09 3.52 0.08 -1.26 -5.03 117.98 115.15 2bum s PHE 31 Ca -0.05 -0.05 -0.22 0.00 0.12 0.00 0.00 56.93 56.73 2bum s PHE 31 Cb 0.09 -1.56 -0.29 0.00 -0.57 0.00 0.00 43.02 40.69 2bum s PHE 31 CO 0.83 0.42 0.77 1.49 -0.10 0.00 0.00 175.22 178.63 2bum h GLU 32 N 4.01 0.21 -4.96 0.44 4.81 -2.01 -3.43 114.58 113.65 2bum h GLU 32 Ca -0.48 -0.35 -0.64 0.00 -0.13 0.00 0.00 59.36 57.76 2bum h GLU 32 Cb 1.17 0.13 -0.18 0.00 0.63 0.00 0.00 28.75 30.50 2bum h GLU 32 CO 0.55 1.17 -0.55 -1.01 -0.73 0.00 0.00 179.01 178.45 2bum s HIS 33 N -2.39 3.20 -0.05 0.92 3.76 -1.26 -5.08 115.29 114.41 2bum s HIS 33 Ca -0.17 0.00 0.04 0.00 -0.15 0.00 0.00 55.06 54.78 2bum s HIS 33 Cb 0.01 -2.31 -0.03 0.00 1.11 0.00 0.00 32.58 31.36 2bum s HIS 33 CO 0.77 -0.16 -0.14 -0.80 -0.85 0.00 0.00 174.74 173.57 2bum s ASN 34 N 1.55 4.08 0.19 1.40 0.01 -1.26 -5.11 114.94 115.81 2bum s ASN 34 Ca 0.07 -0.19 -0.23 0.00 -0.71 0.00 0.00 52.86 51.79 2bum s ASN 34 Cb -0.15 -0.87 -0.08 0.00 0.41 0.00 0.00 41.25 40.56 2bum s ASN 34 CO 0.08 0.34 0.76 -0.76 -1.51 0.00 0.00 177.10 176.01 2bum s LEU 35 N -0.79 4.50 0.00 0.60 1.43 -1.26 -5.04 118.68 118.11 2bum s LEU 35 Ca 0.12 1.57 0.00 0.00 -1.03 0.00 0.00 54.13 54.79 2bum s LEU 35 Cb -0.11 -3.42 0.00 0.00 0.03 0.00 0.00 46.19 42.69 2bum s LEU 35 CO 0.01 0.14 0.00 -0.90 0.23 0.00 0.00 176.35 175.83 2bum n ASP 36 N 1.25 0.00 -1.85 2.29 5.68 -1.26 -4.91 116.55 117.76 2bum n ASP 36 Ca -0.04 -0.29 0.01 0.00 -0.50 0.00 0.00 54.79 53.97 2bum n ASP 36 Cb 0.50 0.00 0.33 0.00 -1.14 0.00 0.00 41.12 40.81 2bum n ASP 36 CO 0.00 0.00 0.00 -0.46 -1.33 0.00 0.00 177.20 175.41 2bum n ASN 37 N -0.64 5.05 -4.14 -1.12 6.94 -0.92 -1.78 115.26 118.66 2bum n ASN 37 Ca 0.00 -2.97 -0.35 0.00 -0.02 0.00 0.00 54.58 51.24 2bum n ASN 37 Cb 0.00 -0.70 -0.13 0.00 -2.36 0.00 0.00 39.78 36.59 2bum n ASN 37 CO 0.00 0.00 0.00 0.21 -1.03 0.00 0.00 177.26 176.44 2bum s ASN 38 N -0.78 5.08 0.00 0.53 3.04 -1.26 -1.92 114.94 119.63 2bum s ASN 38 Ca 0.50 -1.73 0.26 0.00 0.04 0.00 0.00 52.86 51.94 2bum s ASN 38 Cb 0.39 -1.77 0.72 0.00 -1.54 0.00 0.00 41.25 39.05 2bum s ASN 38 CO 0.14 -0.42 1.55 0.18 -3.04 0.00 0.00 177.10 175.51 2bum n LEU 39 N 4.58 0.82 -4.63 3.21 4.32 -0.15 -4.84 117.00 120.31 2bum n LEU 39 Ca -0.06 -0.16 -0.40 0.00 -0.02 0.00 0.00 56.01 55.38 2bum n LEU 39 Cb 0.42 -0.17 -0.07 0.00 -1.62 0.00 0.00 43.42 41.98 2bum n LEU 39 CO 0.29 0.16 0.23 -0.69 -1.22 0.00 0.00 177.39 176.17 2bum s VAL 40 N -2.65 5.08 0.48 4.08 1.01 -1.24 -4.63 120.40 122.53 2bum s VAL 40 Ca 0.20 0.87 0.08 0.00 0.00 0.00 0.00 61.98 63.14 2bum s VAL 40 Cb 0.19 -3.82 0.04 0.00 0.00 0.00 0.00 36.38 32.78 2bum s VAL 40 CO 0.57 0.11 0.61 -1.10 0.00 0.00 0.00 175.10 175.29 2bum s GLN 41 N 2.16 2.56 0.23 2.72 -0.21 -1.26 -5.02 119.66 120.84 2bum s GLN 41 Ca 0.21 -1.48 -0.08 0.00 0.02 0.00 0.00 55.36 54.04 2bum s GLN 41 Cb -0.16 -2.62 0.20 0.00 1.00 0.00 0.00 33.01 31.43 2bum s GLN 41 CO 0.09 -0.50 1.85 0.38 -2.12 0.00 0.00 175.29 175.00 2bum h ASP 42 N 0.54 1.08 -0.55 5.90 2.03 -1.97 -2.80 116.42 120.65 2bum h ASP 42 Ca -0.36 -0.09 0.00 0.00 -0.73 0.00 0.00 57.03 55.84 2bum h ASP 42 Cb 1.28 -0.28 0.00 0.00 -0.83 0.00 0.00 39.33 39.51 2bum h ASP 42 CO 0.46 0.86 0.00 0.59 -1.03 0.00 0.00 179.24 180.12 2bum n ASN 43 N -4.37 2.99 -4.75 4.15 4.13 -1.26 -4.95 115.26 111.19 2bum n ASN 43 Ca 0.09 -1.99 -0.41 0.00 1.68 0.00 0.00 54.58 53.95 2bum n ASN 43 Cb 0.09 -0.36 -0.01 0.00 -1.54 0.00 0.00 39.78 37.95 2bum n ASN 43 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 2bum s THR 44 N -1.27 2.11 0.27 3.41 2.01 -1.06 -4.88 115.64 116.23 2bum s THR 44 Ca 0.37 0.10 -0.08 0.00 0.31 0.00 0.00 61.69 62.39 2bum s THR 44 Cb 0.20 -3.06 -0.06 0.00 0.01 0.00 0.00 72.50 69.58 2bum s THR 44 CO 0.26 0.02 0.58 -1.10 -0.69 0.00 0.00 174.62 173.68 2bum s GLN 45 N -0.72 3.74 0.00 4.92 -0.21 -1.26 -4.94 119.66 121.18 2bum s GLN 45 Ca 0.61 0.20 0.00 0.00 0.02 0.00 0.00 55.36 56.20 2bum s GLN 45 Cb -0.47 -2.61 0.00 0.00 1.00 0.00 0.00 33.01 30.92 2bum s GLN 45 CO 0.50 0.24 0.00 0.41 -2.12 0.00 0.00 175.29 174.31 2bum n GLY 46 N -0.57 1.63 3.68 3.09 0.00 -1.26 -4.38 105.19 107.38 2bum n GLY 46 Ca -0.00 -2.17 -0.41 0.00 0.00 0.00 0.00 46.02 43.45 2bum n GLY 46 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2bum s GLN 47 N -1.62 4.31 0.28 1.61 -2.07 -1.26 -4.96 119.66 115.95 2bum s GLN 47 Ca 0.00 0.91 -0.29 0.00 -1.82 0.00 0.00 55.36 54.15 2bum s GLN 47 Cb 0.00 -3.55 -0.10 0.00 -1.09 0.00 0.00 33.01 28.27 2bum s GLN 47 CO 0.00 -0.23 1.34 1.03 -1.32 0.00 0.00 175.29 176.11 2bum s ARG 48 N 1.83 4.34 0.07 9.60 3.00 -1.26 -1.68 118.95 134.84 2bum s ARG 48 Ca 0.36 2.20 -0.03 0.00 0.00 0.00 0.00 55.73 58.26 2bum s ARG 48 Cb -0.17 -3.11 -0.03 0.00 0.00 0.00 0.00 34.95 31.64 2bum s ARG 48 CO 0.13 -0.26 0.03 0.96 0.00 0.00 0.00 175.30 176.17 2bum s ILE 49 N -0.56 0.19 -0.11 1.52 -4.36 -0.28 -4.54 121.20 113.05 2bum s ILE 49 Ca 0.53 -1.66 0.03 0.00 -0.26 0.00 0.00 60.65 59.30 2bum s ILE 49 Cb -0.40 -1.51 -0.00 0.00 1.25 0.00 0.00 42.46 41.80 2bum s ILE 49 CO 0.47 -0.87 -0.22 -0.60 0.24 0.00 0.00 174.94 173.96 2bum s ARG 50 N -3.91 3.10 -0.18 0.37 3.52 -0.19 -1.39 118.95 120.27 2bum s ARG 50 Ca 0.08 -0.84 -0.03 0.00 -0.13 0.00 0.00 55.73 54.80 2bum s ARG 50 Cb 0.07 -2.37 -0.02 0.00 -1.56 0.00 0.00 34.95 31.07 2bum s ARG 50 CO -0.09 0.16 -0.04 -1.17 -0.81 0.00 0.00 175.30 173.34 2bum s LEU 51 N 0.41 3.09 0.20 -0.88 2.96 0.02 -0.46 118.68 124.01 2bum s LEU 51 Ca -0.16 -0.23 -0.13 0.00 -0.22 0.00 0.00 54.13 53.39 2bum s LEU 51 Cb -0.17 -1.76 0.00 0.00 0.50 0.00 0.00 46.19 44.77 2bum s LEU 51 CO 0.07 0.10 0.41 -1.83 -1.32 0.00 0.00 176.35 173.78 2bum s GLU 52 N 0.75 1.33 0.00 1.98 -1.05 -0.56 -0.75 118.70 120.40 2bum s GLU 52 Ca -0.02 -1.09 0.00 0.00 -0.15 0.00 0.00 54.97 53.71 2bum s GLU 52 Cb -0.15 0.45 0.00 0.00 -0.44 0.00 0.00 34.13 33.99 2bum s GLU 52 CO 0.02 -0.53 0.00 0.41 0.95 0.00 0.00 175.26 176.11 2bum n GLY 53 N -0.30 -0.54 3.12 -3.83 0.00 -0.88 0.24 105.19 103.00 2bum n GLY 53 Ca -0.07 -0.90 -0.09 0.00 0.00 0.00 0.00 46.02 44.97 2bum n GLY 53 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2bum s GLN 54 N -1.15 0.72 -0.13 1.61 -0.21 -1.25 -1.39 119.66 117.85 2bum s GLN 54 Ca 0.00 -1.28 0.01 0.00 0.02 0.00 0.00 55.36 54.11 2bum s GLN 54 Cb 0.00 0.06 -0.01 0.00 1.00 0.00 0.00 33.01 34.06 2bum s GLN 54 CO 0.00 -0.09 -0.15 0.08 -2.12 0.00 0.00 175.29 173.01 2bum s VAL 55 N -3.82 2.81 -0.02 1.09 1.01 -1.26 -0.58 120.40 119.62 2bum s VAL 55 Ca 0.10 -0.74 0.06 0.00 0.00 0.00 0.00 61.98 61.39 2bum s VAL 55 Cb 0.07 -2.17 -0.03 0.00 0.00 0.00 0.00 36.38 34.26 2bum s VAL 55 CO -0.07 0.53 -0.19 -0.36 0.00 0.00 0.00 175.10 175.01 2bum s PHE 56 N 0.44 2.56 0.37 5.22 0.08 0.04 -0.17 117.98 126.51 2bum s PHE 56 Ca -0.11 -0.26 -0.04 0.00 0.12 0.00 0.00 56.93 56.64 2bum s PHE 56 Cb -0.16 -1.56 0.08 0.00 -0.57 0.00 0.00 43.02 40.81 2bum s PHE 56 CO 0.05 0.13 0.51 -0.40 -0.10 0.00 0.00 175.22 175.41 2bum n ASP 57 N 2.22 0.28 0.04 1.36 5.68 -0.07 -1.56 116.55 124.50 2bum n ASP 57 Ca -0.17 -1.33 0.07 0.00 -0.50 0.00 0.00 54.79 52.86 2bum n ASP 57 Cb 0.52 -0.37 0.30 0.00 -1.14 0.00 0.00 41.12 40.43 2bum n ASP 57 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2bum n GLY 58 N 1.46 -0.93 0.89 6.12 0.00 -1.26 -1.10 105.19 110.37 2bum n GLY 58 Ca 0.07 0.01 0.12 0.00 0.00 0.00 0.00 46.02 46.23 2bum n GLY 58 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2bum n LEU 59 N -1.72 2.81 0.00 0.99 4.77 -1.26 -4.90 117.00 117.68 2bum n LEU 59 Ca 0.02 -0.94 0.00 0.00 -0.03 0.00 0.00 56.01 55.06 2bum n LEU 59 Cb 0.13 -0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.22 2bum n LEU 59 CO 0.11 0.47 0.00 0.61 -1.33 0.00 0.00 177.39 177.25 2bum n GLY 60 N 1.34 0.68 3.86 -0.72 0.00 -0.26 -5.05 105.19 105.04 2bum n GLY 60 Ca 0.14 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.81 2bum n GLY 60 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2bum s LEU 61 N 0.00 4.39 0.40 0.99 1.43 -1.26 -4.77 118.68 119.86 2bum s LEU 61 Ca 0.00 0.76 -0.25 0.00 -1.03 0.00 0.00 54.13 53.61 2bum s LEU 61 Cb 0.00 -2.73 -0.08 0.00 0.03 0.00 0.00 46.19 43.40 2bum s LEU 61 CO 0.00 0.25 1.14 -2.16 0.23 0.00 0.00 176.35 175.82 2bum s PRO 62 N -1.59 4.06 -0.12 1.29 0.04 -1.26 -0.89 135.00 136.53 2bum s PRO 62 Ca 0.28 1.77 -0.22 0.00 0.04 0.00 0.00 61.00 62.86 2bum s PRO 62 Cb -0.14 -2.63 -0.03 0.00 0.04 0.00 0.00 34.50 31.73 2bum s PRO 62 CO 0.15 -0.30 0.67 -0.51 0.04 0.00 0.00 177.00 177.06 2bum s LEU 63 N -2.55 4.25 0.00 -3.56 1.02 0.75 -4.88 118.68 113.71 2bum s LEU 63 Ca 0.58 1.05 0.18 0.00 0.02 0.00 0.00 54.13 55.96 2bum s LEU 63 Cb -0.29 -3.01 0.41 0.00 0.02 0.00 0.00 46.19 43.32 2bum s LEU 63 CO 0.36 -0.18 1.33 0.54 0.02 0.00 0.00 176.35 178.42 2bum n ARG 64 N 4.28 2.47 -0.48 1.70 1.74 -1.26 -4.33 116.66 120.79 2bum n ARG 64 Ca -0.01 -2.20 0.07 0.00 -0.77 0.00 0.00 57.85 54.94 2bum n ARG 64 Cb 0.51 -1.42 0.15 0.00 -1.02 0.00 0.00 32.46 30.68 2bum n ARG 64 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 2bum n ASP 65 N 1.13 1.76 -4.87 0.55 5.68 -1.26 -4.68 116.55 114.87 2bum n ASP 65 Ca 0.17 -3.29 -0.32 0.00 -0.50 0.00 0.00 54.79 50.85 2bum n ASP 65 Cb 0.52 -0.45 -0.05 0.00 -1.14 0.00 0.00 41.12 40.00 2bum n ASP 65 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 2bum s VAL 66 N -2.58 4.82 -0.13 2.12 0.11 -1.26 -4.54 120.40 118.94 2bum s VAL 66 Ca 0.33 0.65 0.03 0.00 -2.93 0.00 0.00 61.98 60.05 2bum s VAL 66 Cb 0.31 -3.64 0.01 0.00 -1.53 0.00 0.00 36.38 31.53 2bum s VAL 66 CO -0.04 -0.20 -0.21 -0.22 -3.33 0.00 0.00 175.10 171.10 2bum s LEU 67 N -3.09 2.03 0.02 2.54 2.96 -0.10 -3.55 118.68 119.50 2bum s LEU 67 Ca 0.50 -0.56 0.09 0.00 -0.22 0.00 0.00 54.13 53.94 2bum s LEU 67 Cb -0.11 -1.37 -0.03 0.00 0.50 0.00 0.00 46.19 45.19 2bum s LEU 67 CO 0.22 0.08 -0.26 -0.63 -1.32 0.00 0.00 176.35 174.44 2bum s ILE 68 N 0.77 2.13 0.12 6.68 -1.09 0.25 -1.24 121.20 128.82 2bum s ILE 68 Ca -0.09 -1.26 0.05 0.00 -2.23 0.00 0.00 60.65 57.12 2bum s ILE 68 Cb -0.16 -1.79 -0.04 0.00 -1.58 0.00 0.00 42.46 38.90 2bum s ILE 68 CO -0.00 0.46 -0.13 -1.61 -1.23 0.00 0.00 174.94 172.43 2bum s GLU 69 N -0.97 0.99 0.12 2.79 2.02 -0.70 -0.99 118.70 121.95 2bum s GLU 69 Ca 0.11 -1.23 0.05 0.00 0.02 0.00 0.00 54.97 53.92 2bum s GLU 69 Cb -0.10 -0.81 -0.04 0.00 0.10 0.00 0.00 34.13 33.28 2bum s GLU 69 CO 0.01 0.15 -0.12 0.96 0.02 0.00 0.00 175.26 176.28 2bum s ILE 70 N -2.25 1.17 -0.03 -1.63 -4.36 -0.87 -1.74 121.20 111.49 2bum s ILE 70 Ca 0.08 -1.80 -0.01 0.00 -0.26 0.00 0.00 60.65 58.67 2bum s ILE 70 Cb -0.04 -1.57 0.03 0.00 1.25 0.00 0.00 42.46 42.13 2bum s ILE 70 CO 0.02 -0.56 0.06 0.86 0.24 0.00 0.00 174.94 175.56 2bum s TRP 71 N -2.59 -0.00 0.27 1.37 -0.00 0.12 -2.53 118.94 115.57 2bum s TRP 71 Ca 0.10 0.21 -0.13 0.00 -0.00 0.00 0.00 56.10 56.29 2bum s TRP 71 Cb -0.02 -0.25 0.00 0.00 -0.00 0.00 0.00 33.47 33.20 2bum s TRP 71 CO 0.01 -0.12 0.52 1.14 -0.00 0.00 0.00 176.95 178.50 2bum s GLN 72 N 1.28 1.64 0.45 5.86 -2.07 0.07 -1.03 119.66 125.87 2bum s GLN 72 Ca -0.07 -1.29 -0.01 0.00 -1.82 0.00 0.00 55.36 52.18 2bum s GLN 72 Cb -0.13 0.49 -0.01 0.00 -1.09 0.00 0.00 33.01 32.27 2bum s GLN 72 CO -0.04 -0.70 0.69 0.00 -1.32 0.00 0.00 175.29 173.92 2bum s ALA 73 N -3.82 3.66 1.02 2.60 0.00 -1.26 -4.63 121.76 119.32 2bum s ALA 73 Ca 0.22 -0.93 -0.05 0.00 0.00 0.00 0.00 51.96 51.19 2bum s ALA 73 Cb -0.01 -2.23 0.07 0.00 0.00 0.00 0.00 23.12 20.94 2bum s ALA 73 CO 0.10 -0.36 0.35 -0.40 0.00 0.00 0.00 175.76 175.46 2bum n ASP 74 N -2.10 -0.35 0.30 0.00 5.68 0.28 -4.48 116.55 115.88 2bum n ASP 74 Ca 0.01 -1.01 0.18 0.00 -0.50 0.00 0.00 54.79 53.46 2bum n ASP 74 Cb 0.57 -0.28 1.00 0.00 -1.14 0.00 0.00 41.12 41.27 2bum n ASP 74 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2bum h THR 75 N -1.39 0.36 -0.58 2.12 1.03 -1.80 -1.22 112.91 111.42 2bum h THR 75 Ca -0.12 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.28 2bum h THR 75 Cb 0.34 0.98 0.00 0.00 -1.07 0.00 0.00 68.15 68.40 2bum h THR 75 CO 0.08 0.00 0.00 0.59 -0.01 0.00 0.00 175.52 176.18 2bum n ASN 76 N -3.60 4.71 -1.07 0.00 3.02 -1.26 -3.29 115.26 113.77 2bum n ASN 76 Ca -0.03 -2.54 -0.08 0.00 -0.03 0.00 0.00 54.58 51.90 2bum n ASN 76 Cb 0.10 -0.57 0.00 0.00 -0.61 0.00 0.00 39.78 38.71 2bum n ASN 76 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2bum n GLY 77 N 0.86 0.11 3.39 7.41 0.00 -0.53 -4.73 105.19 111.71 2bum n GLY 77 Ca 0.25 -0.51 -0.32 0.00 0.00 0.00 0.00 46.02 45.44 2bum n GLY 77 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2bum s VAL 78 N -2.55 2.74 -0.02 1.61 1.01 -1.26 -4.49 120.40 117.44 2bum s VAL 78 Ca 0.05 -0.82 -0.20 0.00 0.00 0.00 0.00 61.98 61.00 2bum s VAL 78 Cb -0.02 -2.07 -0.05 0.00 0.00 0.00 0.00 36.38 34.24 2bum s VAL 78 CO 0.06 0.57 0.58 -0.31 0.00 0.00 0.00 175.10 176.00 2bum s TYR 79 N -0.34 3.66 -1.43 5.22 2.02 -1.26 -0.56 117.35 124.66 2bum s TYR 79 Ca 0.03 1.16 -0.13 0.00 -0.37 0.00 0.00 57.07 57.75 2bum s TYR 79 Cb -0.13 -2.60 -0.03 0.00 -0.40 0.00 0.00 41.96 38.81 2bum s TYR 79 CO 0.02 0.33 2.46 -0.35 -1.57 0.00 0.00 175.55 176.45 2bum n PRO 80 N 2.85 3.00 -3.81 -1.71 -0.04 -1.26 -4.73 135.00 129.30 2bum n PRO 80 Ca -0.07 -2.32 -0.13 0.00 -0.04 0.00 0.00 63.50 60.95 2bum n PRO 80 Cb 0.51 -3.03 -0.13 0.00 -0.04 0.00 0.00 33.50 30.81 2bum n PRO 80 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2bum s SER 81 N 2.99 -0.14 0.30 3.54 0.15 -1.26 -4.96 113.70 114.32 2bum s SER 81 Ca 0.56 0.29 0.22 0.00 0.70 0.00 0.00 55.95 57.72 2bum s SER 81 Cb 0.15 0.27 1.11 0.00 -1.71 0.00 0.00 66.02 65.84 2bum s SER 81 CO -0.06 -0.07 1.67 0.00 1.20 0.00 0.00 173.24 175.98 2bum n GLN 82 N 3.29 0.16 0.00 5.44 6.02 -1.26 -0.94 117.38 130.08 2bum n GLN 82 Ca -0.16 0.58 0.14 0.00 -0.01 0.00 0.00 57.00 57.55 2bum n GLN 82 Cb 0.57 -1.93 0.53 0.00 1.02 0.00 0.00 30.24 30.43 2bum n GLN 82 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2bum n ALA 83 N -1.78 2.84 -2.24 -1.58 0.00 -1.26 -4.79 120.51 111.71 2bum n ALA 83 Ca -0.00 -0.34 -0.43 0.00 0.00 0.00 0.00 53.44 52.67 2bum n ALA 83 Cb 0.09 -1.25 -0.02 0.00 0.00 0.00 0.00 19.45 18.27 2bum n ALA 83 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2bum s ASP 84 N -2.39 6.75 -0.18 0.00 -1.08 -0.12 -4.90 116.67 114.75 2bum s ASP 84 Ca 0.30 1.82 0.15 0.00 -0.52 0.00 0.00 52.55 54.30 2bum s ASP 84 Cb 0.20 -2.54 0.76 0.00 -1.46 0.00 0.00 42.92 39.89 2bum s ASP 84 CO 0.46 -0.91 1.67 0.35 0.52 0.00 0.00 175.17 177.26 2bum n THR 85 N 5.62 2.33 0.57 1.71 -2.24 -1.26 -4.60 114.28 116.41 2bum n THR 85 Ca 0.16 -1.27 0.10 0.00 -2.27 0.00 0.00 64.05 60.77 2bum n THR 85 Cb 0.44 -0.14 0.43 0.00 -2.10 0.00 0.00 70.33 68.96 2bum n THR 85 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2bum n GLN 86 N 0.80 0.09 -1.03 -0.78 6.02 -1.26 -4.88 117.38 116.32 2bum n GLN 86 Ca 0.26 0.26 -0.01 0.00 -0.01 0.00 0.00 57.00 57.50 2bum n GLN 86 Cb 1.06 -1.65 -0.01 0.00 1.02 0.00 0.00 30.24 30.67 2bum n GLN 86 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2bum n GLY 87 N 0.40 0.33 3.71 1.08 0.00 -1.26 -4.98 105.19 104.47 2bum n GLY 87 Ca 0.04 -0.05 -0.28 0.00 0.00 0.00 0.00 46.02 45.73 2bum n GLY 87 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2bum s LYS 88 N -1.31 2.60 0.15 1.61 1.02 -1.26 -5.10 119.74 117.46 2bum s LYS 88 Ca 0.00 -0.90 -0.27 0.00 0.02 0.00 0.00 55.97 54.82 2bum s LYS 88 Cb 0.00 -2.53 -0.07 0.00 -0.52 0.00 0.00 37.83 34.71 2bum s LYS 88 CO 0.00 0.51 0.84 -1.14 -0.92 0.00 0.00 175.35 174.64 2bum s GLN 88 N -2.63 4.64 0.31 1.68 0.74 -1.26 -5.04 119.66 118.10 2bum s GLN 88 Ca 0.27 1.26 -0.08 0.00 0.05 0.00 0.00 55.36 56.87 2bum s GLN 88 Cb -0.11 -3.30 -0.06 0.00 1.10 0.00 0.00 33.01 30.64 2bum s GLN 88 CO 0.20 0.46 0.62 0.54 -0.55 0.00 0.00 175.29 176.55 2bum s VAL 88 N -0.80 4.93 -0.02 1.34 0.11 -1.26 -4.99 120.40 119.71 2bum s VAL 88 Ca 0.39 0.31 -0.32 0.00 -2.93 0.00 0.00 61.98 59.43 2bum s VAL 88 Cb -0.23 -3.71 -0.10 0.00 -1.53 0.00 0.00 36.38 30.80 2bum s VAL 88 CO 0.27 -0.33 1.93 -0.67 -3.33 0.00 0.00 175.10 172.98 2bum n ASP 88 N -0.89 3.85 0.00 3.54 -0.08 -1.26 -4.84 116.55 116.87 2bum n ASP 88 Ca -0.00 0.93 0.10 0.00 -1.51 0.00 0.00 54.79 54.32 2bum n ASP 88 Cb 0.54 -1.46 0.55 0.00 2.34 0.00 0.00 41.12 43.09 2bum n ASP 88 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 2bum n PRO 88 N 7.12 0.37 -2.39 -0.67 -0.04 -1.26 -3.58 135.00 134.55 2bum n PRO 88 Ca 0.21 0.07 -0.30 0.00 -0.04 0.00 0.00 63.50 63.45 2bum n PRO 88 Cb 0.36 -1.50 0.01 0.00 -0.04 0.00 0.00 33.50 32.32 2bum n PRO 88 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2bum n ASN 88 N -1.23 5.26 -3.62 3.54 3.02 -1.26 -4.96 115.26 116.00 2bum n ASN 88 Ca 0.11 -3.74 -0.06 0.00 -0.03 0.00 0.00 54.58 50.86 2bum n ASN 88 Cb 0.15 -0.59 -0.07 0.00 -0.61 0.00 0.00 39.78 38.66 2bum n ASN 88 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 2bum s PHE 89 N -3.65 -1.01 0.07 3.10 5.36 -1.23 -4.30 117.98 116.32 2bum s PHE 89 Ca 0.49 1.77 0.03 0.00 -0.96 0.00 0.00 56.93 58.26 2bum s PHE 89 Cb 0.40 0.47 -0.24 0.00 -0.34 0.00 0.00 43.02 43.31 2bum s PHE 89 CO -0.23 -0.57 1.09 1.25 -1.46 0.00 0.00 175.22 175.30 2bum h LEU 90 N 8.11 0.16 0.00 6.12 5.85 -1.91 -3.44 115.31 130.20 2bum h LEU 90 Ca -0.17 -0.20 0.00 0.00 0.84 0.00 0.00 57.88 58.35 2bum h LEU 90 Cb 1.11 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 42.09 2bum h LEU 90 CO 0.12 1.16 0.00 0.61 -0.34 0.00 0.00 178.44 179.99 2bum n GLY 91 N 1.47 1.25 3.09 3.75 0.00 -1.26 -4.75 105.19 108.75 2bum n GLY 91 Ca -0.07 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.79 2bum n GLY 91 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 2bum s TRP 92 N -3.73 0.87 0.21 1.61 -0.00 -1.26 -0.75 118.94 115.88 2bum s TRP 92 Ca 0.00 -0.43 -0.15 0.00 -0.00 0.00 0.00 56.10 55.51 2bum s TRP 92 Cb 0.00 -0.51 0.01 0.00 -0.00 0.00 0.00 33.47 32.97 2bum s TRP 92 CO 0.00 -0.02 0.49 0.20 -0.00 0.00 0.00 176.95 177.62 2bum s GLY 93 N -1.44 0.14 -0.02 5.86 0.00 -1.05 -4.81 107.32 106.00 2bum s GLY 93 Ca -0.05 -0.49 -0.02 0.00 0.00 0.00 0.00 44.72 44.16 2bum s GLY 93 CO 0.01 -0.42 0.06 -1.60 0.00 0.00 0.00 173.10 171.15 2bum s ARG 94 N -3.93 0.07 0.19 2.90 3.52 -0.73 -2.06 118.95 118.91 2bum s ARG 94 Ca 0.14 0.09 -0.13 0.00 -0.13 0.00 0.00 55.73 55.70 2bum s ARG 94 Cb -0.01 0.02 0.01 0.00 -1.56 0.00 0.00 34.95 33.41 2bum s ARG 94 CO 0.01 -0.02 0.41 -0.08 -0.81 0.00 0.00 175.30 174.81 2bum s THR 95 N 0.08 0.04 0.52 4.11 -1.32 -0.16 -2.16 115.64 116.75 2bum s THR 95 Ca -0.00 -1.14 0.01 0.00 -1.21 0.00 0.00 61.69 59.34 2bum s THR 95 Cb -0.01 -1.78 -0.01 0.00 -1.51 0.00 0.00 72.50 69.20 2bum s THR 95 CO -0.00 -0.19 0.00 -0.83 -2.21 0.00 0.00 174.62 171.39 2bum s GLY 96 N -2.94 3.08 0.07 6.08 0.00 -1.26 -0.58 107.32 111.78 2bum s GLY 96 Ca 0.14 -0.17 -0.05 0.00 0.00 0.00 0.00 44.72 44.65 2bum s GLY 96 CO -0.00 -2.20 0.31 0.00 0.00 0.00 0.00 173.10 171.20 2bum s ALA 97 N -2.90 3.85 0.30 3.20 0.00 -1.23 -4.55 121.76 120.42 2bum s ALA 97 Ca 0.03 -0.61 -0.30 0.00 0.00 0.00 0.00 51.96 51.09 2bum s ALA 97 Cb 0.01 -2.06 -0.12 0.00 0.00 0.00 0.00 23.12 20.94 2bum s ALA 97 CO 0.01 0.69 1.41 -3.47 0.00 0.00 0.00 175.76 174.40 2bum n ASP 98 N 0.57 3.08 0.18 0.00 2.03 0.88 -4.85 116.55 118.45 2bum n ASP 98 Ca -0.07 1.17 0.06 0.00 0.52 0.00 0.00 54.79 56.48 2bum n ASP 98 Cb 0.52 -1.50 0.55 0.00 -0.72 0.00 0.00 41.12 39.97 2bum n ASP 98 CO 0.00 0.00 0.00 -0.26 -1.92 0.00 0.00 177.20 175.02 2bum h PHE 99 N 3.64 0.16 0.00 -0.67 0.04 -1.91 -1.19 116.94 117.01 2bum h PHE 99 Ca -0.46 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.31 2bum h PHE 99 Cb 1.26 -0.05 0.00 0.00 2.20 0.00 0.00 35.95 39.36 2bum h PHE 99 CO 0.54 0.13 -0.27 0.41 -0.60 0.00 0.00 178.31 178.53 2bum n GLY 100 N -1.43 -0.66 0.12 -1.45 0.00 -1.26 -4.64 105.19 95.86 2bum n GLY 100 Ca -0.01 -0.09 -0.08 0.00 0.00 0.00 0.00 46.02 45.84 2bum n GLY 100 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2bum h THR 101 N -0.43 0.93 0.00 2.61 1.35 -1.98 -3.47 112.91 111.92 2bum h THR 101 Ca 0.00 -0.07 0.00 0.00 -0.55 0.00 0.00 66.41 65.79 2bum h THR 101 Cb 0.27 0.72 0.00 0.00 -1.73 0.00 0.00 68.15 67.40 2bum h THR 101 CO 0.00 0.04 0.00 0.61 -0.25 0.00 0.00 175.52 175.92 2bum n GLY 102 N -1.18 0.80 3.82 5.82 0.00 -0.45 -4.99 105.19 109.01 2bum n GLY 102 Ca -0.01 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.65 2bum n GLY 102 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2bum s PHE 103 N -2.10 3.58 0.22 1.61 0.40 -1.26 -4.50 117.98 115.93 2bum s PHE 103 Ca 0.00 1.44 0.10 0.00 -0.60 0.00 0.00 56.93 57.87 2bum s PHE 103 Cb 0.00 -2.67 -0.05 0.00 0.51 0.00 0.00 43.02 40.81 2bum s PHE 103 CO 0.00 0.24 -0.18 1.67 0.70 0.00 0.00 175.22 177.65 2bum s TRP 104 N -1.67 1.97 0.10 0.36 1.48 -0.49 -0.08 118.94 120.61 2bum s TRP 104 Ca 0.48 -0.46 -0.23 0.00 -1.06 0.00 0.00 56.10 54.83 2bum s TRP 104 Cb -0.15 -0.91 0.06 0.00 -1.16 0.00 0.00 33.47 31.31 2bum s TRP 104 CO 0.20 0.49 0.57 -1.54 -4.06 0.00 0.00 176.95 172.61 2bum s SER 105 N -3.22 -0.51 0.01 -2.66 1.04 -1.26 -2.07 113.70 105.03 2bum s SER 105 Ca 0.24 0.10 0.01 0.00 0.48 0.00 0.00 55.95 56.77 2bum s SER 105 Cb -0.04 0.55 -0.01 0.00 0.10 0.00 0.00 66.02 66.62 2bum s SER 105 CO 0.10 -0.85 -0.03 -0.36 0.98 0.00 0.00 173.24 173.07 2bum s PHE 106 N -3.12 0.29 -0.29 5.02 0.40 0.07 -4.85 117.98 115.49 2bum s PHE 106 Ca -0.02 -0.29 -0.08 0.00 -0.60 0.00 0.00 56.93 55.94 2bum s PHE 106 Cb -0.00 -0.19 -0.00 0.00 0.51 0.00 0.00 43.02 43.33 2bum s PHE 106 CO -0.07 -0.08 0.10 -0.80 0.70 0.00 0.00 175.22 175.07 2bum s ASN 107 N -0.82 5.28 0.00 1.36 0.01 -0.81 -0.80 114.94 119.17 2bum s ASN 107 Ca -0.07 -0.54 0.00 0.00 -0.71 0.00 0.00 52.86 51.54 2bum s ASN 107 Cb -0.06 -1.93 0.00 0.00 0.41 0.00 0.00 41.25 39.67 2bum s ASN 107 CO -0.00 -0.16 0.00 1.07 -1.51 0.00 0.00 177.10 176.49 2bum n THR 108 N 4.92 0.00 -4.34 1.60 5.66 -0.49 -0.98 114.28 120.66 2bum n THR 108 Ca -0.15 0.00 -0.25 0.00 -3.05 0.00 0.00 64.05 60.60 2bum n THR 108 Cb 0.49 0.00 -0.12 0.00 -1.55 0.00 0.00 70.33 69.15 2bum n THR 108 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 175.07 171.39 2bum s ILE 109 N -1.11 1.96 -0.12 1.09 1.09 -1.26 -1.13 121.20 121.71 2bum s ILE 109 Ca 0.00 -1.71 -0.30 0.00 -1.10 0.00 0.00 60.65 57.55 2bum s ILE 109 Cb 0.00 -1.79 -0.02 0.00 -1.06 0.00 0.00 42.46 39.59 2bum s ILE 109 CO 0.00 -0.06 1.21 -0.75 -0.10 0.00 0.00 174.94 175.24 2bum s LYS 110 N -2.15 4.29 0.60 2.79 2.20 -0.68 -4.84 119.74 121.95 2bum s LYS 110 Ca 0.11 1.63 -0.17 0.00 -0.36 0.00 0.00 55.97 57.19 2bum s LYS 110 Cb -0.09 -3.66 -0.03 0.00 -1.51 0.00 0.00 37.83 32.54 2bum s LYS 110 CO 0.06 -0.57 1.11 -1.25 -0.36 0.00 0.00 175.35 174.33 2bum s PRO 111 N 2.86 3.10 0.70 4.03 0.04 -1.26 -4.56 135.00 139.91 2bum s PRO 111 Ca 0.54 1.46 -0.05 0.00 0.04 0.00 0.00 61.00 62.99 2bum s PRO 111 Cb -0.22 -1.99 0.08 0.00 0.04 0.00 0.00 34.50 32.41 2bum s PRO 111 CO 0.17 -1.02 0.99 0.20 0.04 0.00 0.00 177.00 177.39 2bum s GLY 112 N -2.26 1.73 0.24 0.56 0.00 -0.81 -4.71 107.32 102.07 2bum s GLY 112 Ca 0.69 -1.15 -0.30 0.00 0.00 0.00 0.00 44.72 43.96 2bum s GLY 112 CO 0.34 -0.71 1.16 0.00 0.00 0.00 0.00 173.10 173.89 2bum s ALA 113 N -3.19 3.43 -0.04 3.20 0.00 -1.26 -4.08 121.76 119.81 2bum s ALA 113 Ca 0.62 0.95 0.00 0.00 0.00 0.00 0.00 51.96 53.53 2bum s ALA 113 Cb -0.09 -3.38 -0.03 0.00 0.00 0.00 0.00 23.12 19.61 2bum s ALA 113 CO 0.44 -0.30 -0.01 0.08 0.00 0.00 0.00 175.76 175.97 2bum s VAL 114 N -0.62 4.10 0.54 0.00 1.01 -1.25 -4.29 120.40 119.87 2bum s VAL 114 Ca 0.49 -0.49 -0.22 0.00 0.00 0.00 0.00 61.98 61.76 2bum s VAL 114 Cb -0.33 -2.77 -0.06 0.00 0.00 0.00 0.00 36.38 33.23 2bum s VAL 114 CO 0.40 0.48 1.28 -2.65 0.00 0.00 0.00 175.10 174.62 2bum n PRO 115 N 1.76 1.59 -1.30 2.72 -0.02 -1.26 -0.79 135.00 137.70 2bum n PRO 115 Ca -0.16 0.59 -0.01 0.00 -2.02 0.00 0.00 63.50 61.90 2bum n PRO 115 Cb 0.53 -2.48 0.00 0.00 -0.02 0.00 0.00 33.50 31.53 2bum n PRO 115 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2bum n GLY 116 N 0.85 2.50 3.81 -1.23 0.00 0.68 -4.60 105.19 107.20 2bum n GLY 116 Ca 0.10 -2.15 -0.32 0.00 0.00 0.00 0.00 46.02 43.65 2bum n GLY 116 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2bum s ARG 117 N -2.06 3.45 -1.27 1.61 0.52 -1.26 -4.06 118.95 115.89 2bum s ARG 117 Ca 0.01 1.12 -0.24 0.00 -0.52 0.00 0.00 55.73 56.10 2bum s ARG 117 Cb -0.00 -2.06 0.03 0.00 0.52 0.00 0.00 34.95 33.44 2bum s ARG 117 CO 0.01 -0.69 0.57 1.63 0.02 0.00 0.00 175.30 176.83 2bum n LYS 118 N -2.00 -0.76 -1.09 3.54 5.02 -1.26 -1.89 118.16 119.73 2bum n LYS 118 Ca 0.08 0.17 -0.03 0.00 -2.02 0.00 0.00 58.31 56.51 2bum n LYS 118 Cb 0.53 -3.13 -0.01 0.00 -0.02 0.00 0.00 35.03 32.40 2bum n LYS 118 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2bum n GLY 119 N -2.10 0.40 3.95 0.72 0.00 -1.26 -5.00 105.19 101.90 2bum n GLY 119 Ca -0.16 -0.05 -0.26 0.00 0.00 0.00 0.00 46.02 45.56 2bum n GLY 119 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2bum s SER 120 N -2.16 4.35 -0.10 1.61 1.04 -0.79 -4.90 113.70 112.75 2bum s SER 120 Ca 0.00 0.17 0.03 0.00 0.48 0.00 0.00 55.95 56.63 2bum s SER 120 Cb 0.00 -0.63 0.01 0.00 0.10 0.00 0.00 66.02 65.50 2bum s SER 120 CO 0.00 -1.89 -0.18 -0.89 0.98 0.00 0.00 173.24 171.26 2bum s THR 121 N -3.33 1.62 0.39 2.02 2.01 -1.26 -0.23 115.64 116.85 2bum s THR 121 Ca 0.65 -0.74 -0.12 0.00 0.31 0.00 0.00 61.69 61.78 2bum s THR 121 Cb -0.08 -1.44 -0.07 0.00 0.01 0.00 0.00 72.50 70.92 2bum s THR 121 CO 0.46 0.46 0.77 -1.10 -0.69 0.00 0.00 174.62 174.52 2bum s GLN 122 N 0.67 3.84 0.66 4.92 -0.21 0.03 -4.65 119.66 124.93 2bum s GLN 122 Ca -0.13 0.54 -0.12 0.00 0.02 0.00 0.00 55.36 55.67 2bum s GLN 122 Cb -0.16 -2.39 -0.01 0.00 1.00 0.00 0.00 33.01 31.45 2bum s GLN 122 CO 0.03 0.00 1.06 0.00 -2.12 0.00 0.00 175.29 174.26 2bum s ALA 123 N -2.29 2.73 0.32 6.09 0.00 -1.26 -3.90 121.76 123.45 2bum s ALA 123 Ca 0.52 0.16 -0.29 0.00 0.00 0.00 0.00 51.96 52.35 2bum s ALA 123 Cb -0.10 -3.18 -0.12 0.00 0.00 0.00 0.00 23.12 19.71 2bum s ALA 123 CO 0.28 -1.06 1.42 -2.30 0.00 0.00 0.00 175.76 174.10 2bum n PRO 124 N -2.78 2.34 -3.52 0.00 -0.02 -1.26 -4.71 135.00 125.05 2bum n PRO 124 Ca 0.08 0.83 -0.12 0.00 -2.02 0.00 0.00 63.50 62.27 2bum n PRO 124 Cb 0.53 -2.50 -0.03 0.00 -0.02 0.00 0.00 33.50 31.48 2bum n PRO 124 CO 0.00 0.00 0.00 -3.38 1.98 0.00 0.00 175.50 174.10 2bum s HIS 125 N -0.65 -0.40 -0.08 6.00 -3.43 -1.26 -4.40 115.29 111.07 2bum s HIS 125 Ca 0.59 0.19 0.05 0.00 -0.80 0.00 0.00 55.06 55.09 2bum s HIS 125 Cb -0.55 0.42 -0.00 0.00 -1.43 0.00 0.00 32.58 31.01 2bum s HIS 125 CO 0.57 -0.77 -0.24 0.42 -2.00 0.00 0.00 174.74 172.72 2bum s ILE 126 N -3.59 2.11 -0.00 -5.38 1.01 -0.57 -4.68 121.20 110.09 2bum s ILE 126 Ca 0.01 -1.02 -0.22 0.00 0.00 0.00 0.00 60.65 59.41 2bum s ILE 126 Cb 0.00 -1.79 -0.05 0.00 0.01 0.00 0.00 42.46 40.63 2bum s ILE 126 CO -0.11 0.56 0.67 -0.44 0.00 0.00 0.00 174.94 175.62 2bum s SER 127 N 0.14 7.05 0.02 3.58 0.01 -0.19 -0.79 113.70 123.51 2bum s SER 127 Ca -0.13 1.25 0.04 0.00 1.31 0.00 0.00 55.95 58.43 2bum s SER 127 Cb -0.16 -2.40 -0.02 0.00 0.21 0.00 0.00 66.02 63.65 2bum s SER 127 CO 0.07 0.03 -0.13 -0.22 0.41 0.00 0.00 173.24 173.40 2bum s LEU 128 N 0.06 2.11 0.02 2.44 0.20 -0.62 -0.70 118.68 122.19 2bum s LEU 128 Ca 0.34 -0.36 0.03 0.00 0.69 0.00 0.00 54.13 54.84 2bum s LEU 128 Cb -0.19 -0.61 -0.01 0.00 -0.43 0.00 0.00 46.19 44.95 2bum s LEU 128 CO 0.19 0.08 -0.09 -0.51 -0.29 0.00 0.00 176.35 175.74 2bum s ILE 129 N -0.61 0.65 -0.07 6.68 2.07 -0.71 -0.59 121.20 128.62 2bum s ILE 129 Ca 0.03 -0.70 0.04 0.00 -1.41 0.00 0.00 60.65 58.61 2bum s ILE 129 Cb -0.07 -0.61 0.00 0.00 0.13 0.00 0.00 42.46 41.91 2bum s ILE 129 CO 0.00 -0.06 -0.19 -0.63 -1.91 0.00 0.00 174.94 172.16 2bum s ILE 130 N -0.71 1.59 0.06 2.00 1.01 -0.48 -1.73 121.20 122.96 2bum s ILE 130 Ca -0.02 -0.77 0.06 0.00 0.00 0.00 0.00 60.65 59.92 2bum s ILE 130 Cb -0.06 -1.39 -0.03 0.00 0.01 0.00 0.00 42.46 40.99 2bum s ILE 130 CO 0.00 0.46 -0.17 -0.36 0.00 0.00 0.00 174.94 174.87 2bum s PHE 131 N 0.30 1.50 -0.24 3.97 0.08 -0.37 -1.74 117.98 121.47 2bum s PHE 131 Ca -0.12 -0.40 -0.37 0.00 0.12 0.00 0.00 56.93 56.17 2bum s PHE 131 Cb -0.15 -0.86 0.16 0.00 -0.57 0.00 0.00 43.02 41.59 2bum s PHE 131 CO 0.05 0.10 1.40 0.00 -0.10 0.00 0.00 175.22 176.66 2bum s ALA 132 N -1.00 -2.29 0.37 5.36 0.00 -1.26 -0.92 121.76 122.02 2bum s ALA 132 Ca 0.03 1.68 -0.25 0.00 0.00 0.00 0.00 51.96 53.42 2bum s ALA 132 Cb -0.09 -0.24 -0.12 0.00 0.00 0.00 0.00 23.12 22.66 2bum s ALA 132 CO 0.02 -0.68 0.90 -2.13 0.00 0.00 0.00 175.76 173.87 2bum n ARG 133 N -0.13 1.14 -0.12 0.00 0.63 -1.22 -0.99 116.66 115.96 2bum n ARG 133 Ca 0.02 0.41 0.00 0.00 -0.92 0.00 0.00 57.85 57.35 2bum n ARG 133 Cb 0.58 -1.83 0.00 0.00 0.45 0.00 0.00 32.46 31.66 2bum n ARG 133 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2bum n GLY 134 N 1.35 2.65 3.31 5.14 0.00 -1.26 -4.93 105.19 111.44 2bum n GLY 134 Ca 0.10 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.75 2bum n GLY 134 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2bum s ILE 135 N -3.05 3.84 0.18 -0.61 1.01 -0.16 -4.97 121.20 117.44 2bum s ILE 135 Ca 0.00 -0.87 0.09 0.00 0.00 0.00 0.00 60.65 59.86 2bum s ILE 135 Cb 0.00 -3.05 -0.12 0.00 0.01 0.00 0.00 42.46 39.29 2bum s ILE 135 CO 0.00 -0.01 1.43 0.78 0.00 0.00 0.00 174.94 177.14 2bum h ASN 136 N 8.22 0.00 -3.71 3.58 2.35 -1.90 -3.36 115.58 120.76 2bum h ASN 136 Ca -0.28 0.00 -0.38 0.00 -0.55 0.00 0.00 56.30 55.09 2bum h ASN 136 Cb 1.11 0.00 -0.31 0.00 0.05 0.00 0.00 38.32 39.17 2bum h ASN 136 CO 0.60 0.82 -0.77 -0.63 -1.65 0.00 0.00 177.43 175.81 2bum s ILE 137 N -3.11 0.51 0.16 2.81 1.01 -1.26 -3.14 121.20 118.18 2bum s ILE 137 Ca 0.00 -0.19 -0.33 0.00 0.00 0.00 0.00 60.65 60.13 2bum s ILE 137 Cb 0.11 -0.49 -0.16 0.00 0.01 0.00 0.00 42.46 41.94 2bum s ILE 137 CO 0.79 0.18 1.14 0.61 0.00 0.00 0.00 174.94 177.66 2bum n GLY 138 N 3.48 -0.03 3.69 6.18 0.00 -1.26 -4.93 105.19 112.32 2bum n GLY 138 Ca -0.20 0.54 -0.37 0.00 0.00 0.00 0.00 46.02 45.99 2bum n GLY 138 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2bum s LEU 139 N 0.71 4.19 -0.10 0.99 1.43 -0.71 -4.85 118.68 120.33 2bum s LEU 139 Ca 0.74 0.51 -0.10 0.00 -1.03 0.00 0.00 54.13 54.24 2bum s LEU 139 Cb -0.88 -2.45 -0.05 0.00 0.03 0.00 0.00 46.19 42.84 2bum s LEU 139 CO 0.53 -0.00 0.23 -1.00 0.23 0.00 0.00 176.35 176.34 2bum s HIS 140 N 0.95 3.59 0.36 0.29 3.76 -1.26 -1.38 115.29 121.61 2bum s HIS 140 Ca 0.18 0.64 -0.04 0.00 -0.15 0.00 0.00 55.06 55.70 2bum s HIS 140 Cb -0.14 -2.12 0.01 0.00 1.11 0.00 0.00 32.58 31.44 2bum s HIS 140 CO 0.07 0.59 0.53 -0.08 -0.85 0.00 0.00 174.74 174.99 2bum s THR 141 N -0.66 0.00 0.06 1.30 -1.32 0.24 -0.36 115.64 114.91 2bum s THR 141 Ca 0.17 -1.51 0.03 0.00 -1.21 0.00 0.00 61.69 59.17 2bum s THR 141 Cb -0.13 -2.72 -0.03 0.00 -1.51 0.00 0.00 72.50 68.11 2bum s THR 141 CO 0.06 0.00 -0.10 -0.13 -2.21 0.00 0.00 174.62 172.24 2bum s ARG 142 N -2.83 0.69 -0.20 7.08 0.52 -1.26 -1.58 118.95 121.36 2bum s ARG 142 Ca 0.29 -0.93 -0.03 0.00 -0.52 0.00 0.00 55.73 54.54 2bum s ARG 142 Cb -0.01 -0.46 -0.01 0.00 0.52 0.00 0.00 34.95 34.99 2bum s ARG 142 CO 0.20 0.08 -0.07 0.08 0.02 0.00 0.00 175.30 175.61 2bum s VAL 143 N -1.74 3.16 0.47 3.52 1.01 0.03 -4.74 120.40 122.10 2bum s VAL 143 Ca -0.03 -0.57 0.07 0.00 0.00 0.00 0.00 61.98 61.44 2bum s VAL 143 Cb -0.07 -2.41 -0.00 0.00 0.00 0.00 0.00 36.38 33.89 2bum s VAL 143 CO 0.00 0.45 0.37 -0.31 0.00 0.00 0.00 175.10 175.62 2bum s TYR 144 N 1.31 2.24 -0.07 5.22 1.51 0.15 -1.52 117.35 126.19 2bum s TYR 144 Ca 0.04 -0.65 0.05 0.00 -1.01 0.00 0.00 57.07 55.50 2bum s TYR 144 Cb -0.14 -2.04 -0.01 0.00 -0.11 0.00 0.00 41.96 39.65 2bum s TYR 144 CO -0.04 -0.24 -0.23 -0.06 -1.11 0.00 0.00 175.55 173.88 2bum s PHE 145 N -2.61 2.52 0.44 2.71 0.08 -1.26 -0.44 117.98 119.42 2bum s PHE 145 Ca 0.42 -0.73 0.28 0.00 0.12 0.00 0.00 56.93 57.02 2bum s PHE 145 Cb -0.02 -1.65 1.52 0.00 -0.57 0.00 0.00 43.02 42.31 2bum s PHE 145 CO 0.25 -0.22 2.10 0.38 -0.10 0.00 0.00 175.22 177.63 2bum h ASP 146 N 6.19 0.00 -0.18 1.36 2.03 -1.68 -1.27 116.42 122.87 2bum h ASP 146 Ca -0.30 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.00 2bum h ASP 146 Cb 1.19 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.69 2bum h ASP 146 CO 0.48 0.10 0.00 -0.90 -1.03 0.00 0.00 179.24 177.89 2bum n ASP 147 N -3.65 1.63 -1.23 4.15 5.75 -1.26 -3.25 116.55 118.69 2bum n ASP 147 Ca -0.02 -2.12 -0.03 0.00 -0.01 0.00 0.00 54.79 52.61 2bum n ASP 147 Cb 0.21 -0.33 0.13 0.00 -1.03 0.00 0.00 41.12 40.09 2bum n ASP 147 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 2bum n GLU 148 N 0.12 1.96 -0.30 0.11 -0.58 -0.48 -4.87 120.64 116.59 2bum n GLU 148 Ca 0.07 -3.40 0.14 0.00 -0.42 0.00 0.00 57.16 53.55 2bum n GLU 148 Cb 0.33 -1.60 0.31 0.00 -0.57 0.00 0.00 31.44 29.90 2bum n GLU 148 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2bum h ALA 149 N 1.42 1.33 -0.10 0.62 0.00 -1.71 0.17 119.26 120.98 2bum h ALA 149 Ca 0.06 0.23 -0.00 0.00 0.00 0.00 0.00 54.91 55.20 2bum h ALA 149 Cb 1.27 0.33 -0.00 0.00 0.00 0.00 0.00 17.79 19.38 2bum h ALA 149 CO 0.23 -0.49 0.06 1.49 0.00 0.00 0.00 179.25 180.54 2bum h GLU 150 N 0.20 0.13 -0.50 0.00 4.57 -1.92 -0.74 114.58 116.32 2bum h GLU 150 Ca 0.57 -0.01 -0.13 0.00 -1.18 0.00 0.00 59.36 58.61 2bum h GLU 150 Cb 1.18 -0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 29.73 2bum h GLU 150 CO -0.67 0.13 -0.18 0.00 -1.18 0.00 0.00 179.01 177.11 2bum h ALA 151 N 0.99 0.73 -0.72 2.92 0.00 -1.58 -3.13 119.26 118.47 2bum h ALA 151 Ca 0.03 -0.38 -0.00 0.00 0.00 0.00 0.00 54.91 54.56 2bum h ALA 151 Cb 0.04 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.61 2bum h ALA 151 CO -0.01 0.67 0.44 -0.91 0.00 0.00 0.00 179.25 179.44 2bum h ASN 152 N 0.87 0.86 0.30 0.00 2.35 -0.48 -1.65 115.58 117.84 2bum h ASN 152 Ca 0.12 -0.05 -0.01 0.00 -0.55 0.00 0.00 56.30 55.82 2bum h ASN 152 Cb 0.75 -0.22 -0.00 0.00 0.05 0.00 0.00 38.32 38.90 2bum h ASN 152 CO 0.06 0.66 -0.03 0.00 -1.65 0.00 0.00 177.43 176.47 2bum h ALA 153 N 1.49 1.12 -0.27 -0.83 0.00 -1.08 -1.93 119.26 117.76 2bum h ALA 153 Ca 0.26 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.14 2bum h ALA 153 Cb -0.04 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.74 2bum h ALA 153 CO -0.05 0.04 0.00 1.63 0.00 0.00 0.00 179.25 180.87 2bum n LYS 154 N -3.30 2.85 -2.74 0.00 5.02 -0.65 -4.96 118.16 114.37 2bum n LYS 154 Ca -0.02 -2.49 -0.42 0.00 -2.02 0.00 0.00 58.31 53.36 2bum n LYS 154 Cb 0.16 -1.59 -0.03 0.00 -0.02 0.00 0.00 35.03 33.55 2bum n LYS 154 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 2bum s ASP 155 N -1.59 7.29 0.11 4.39 2.15 -0.73 -4.85 116.67 123.44 2bum s ASP 155 Ca 0.33 1.57 -0.27 0.00 0.43 0.00 0.00 52.55 54.60 2bum s ASP 155 Cb 0.24 -2.55 -0.09 0.00 -0.30 0.00 0.00 42.92 40.23 2bum s ASP 155 CO 0.11 -0.29 1.63 -0.65 -0.17 0.00 0.00 175.17 175.80 2bum h PRO 156 N 6.88 -0.47 0.14 4.34 0.11 -1.90 -0.68 132.00 140.42 2bum h PRO 156 Ca -0.38 0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.75 2bum h PRO 156 Cb 1.20 0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.42 2bum h PRO 156 CO 0.78 -0.32 -0.07 0.28 -0.21 0.00 0.00 178.00 178.47 2bum h VAL 157 N -0.49 0.93 -0.68 3.15 2.07 -1.97 -0.88 116.25 118.37 2bum h VAL 157 Ca 0.03 -0.25 0.05 0.00 0.82 0.00 0.00 66.70 67.35 2bum h VAL 157 Cb 0.51 1.08 -0.04 0.00 -1.52 0.00 0.00 31.29 31.32 2bum h VAL 157 CO -0.15 0.06 0.45 -0.07 0.02 0.00 0.00 177.57 177.88 2bum h LEU 158 N -0.30 0.64 -0.18 2.57 3.38 -1.89 -1.11 115.31 118.42 2bum h LEU 158 Ca -0.02 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 2bum h LEU 158 Cb 0.24 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.85 2bum h LEU 158 CO 0.03 0.42 0.00 0.78 0.09 0.00 0.00 178.44 179.76 2bum h ASN 159 N 0.73 0.00 -0.00 -0.43 2.35 -0.61 -2.67 115.58 114.95 2bum h ASN 159 Ca 0.29 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.04 2bum h ASN 159 Cb 0.20 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.57 2bum h ASN 159 CO -0.09 0.00 0.00 -1.54 -1.65 0.00 0.00 177.43 174.15 2bum n SER 160 N -2.30 0.22 -4.47 5.81 3.41 -0.38 -4.52 113.62 111.38 2bum n SER 160 Ca 0.05 -1.10 -0.43 0.00 -0.26 0.00 0.00 58.87 57.12 2bum n SER 160 Cb 0.39 -0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.26 2bum n SER 160 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 2bum s ILE 161 N -2.00 4.97 0.44 -1.33 1.01 -1.01 -4.96 121.20 118.33 2bum s ILE 161 Ca 0.45 -0.35 0.17 0.00 0.00 0.00 0.00 60.65 60.93 2bum s ILE 161 Cb 0.21 -4.17 0.20 0.00 0.01 0.00 0.00 42.46 38.72 2bum s ILE 161 CO 0.35 -0.60 2.00 1.05 0.00 0.00 0.00 174.94 177.74 2bum h GLU 162 N 8.85 0.00 -5.65 2.79 4.11 -1.88 -3.37 114.58 119.43 2bum h GLU 162 Ca -0.27 0.00 -0.62 0.00 0.07 0.00 0.00 59.36 58.55 2bum h GLU 162 Cb 1.10 0.00 -0.13 0.00 0.50 0.00 0.00 28.75 30.22 2bum h GLU 162 CO 0.88 0.18 0.80 -1.58 0.07 0.00 0.00 179.01 179.36 2bum s TRP 163 N -4.51 2.64 0.54 2.06 0.51 -1.26 -4.86 118.94 114.05 2bum s TRP 163 Ca -0.04 -0.59 0.22 0.00 -2.12 0.00 0.00 56.10 53.57 2bum s TRP 163 Cb 0.15 -4.41 1.41 0.00 -0.81 0.00 0.00 33.47 29.81 2bum s TRP 163 CO 0.67 -1.75 2.09 0.00 -0.51 0.00 0.00 176.95 177.45 2bum h ALA 164 N 9.59 2.13 0.00 0.98 0.00 -1.98 -0.64 119.26 129.33 2bum h ALA 164 Ca -0.17 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 2bum h ALA 164 Cb 1.05 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.86 2bum h ALA 164 CO 1.22 -0.29 -0.03 0.00 0.00 0.00 0.00 179.25 180.15 2bum h THR 165 N 0.00 0.24 0.00 0.00 1.03 -1.93 -2.48 112.91 109.78 2bum h THR 165 Ca 0.11 -0.18 0.00 0.00 -0.01 0.00 0.00 66.41 66.33 2bum h THR 165 Cb 0.45 1.14 0.00 0.00 -1.07 0.00 0.00 68.15 68.67 2bum h THR 165 CO -0.00 0.03 -0.53 0.03 -0.01 0.00 0.00 175.52 175.03 2bum h ARG 166 N 0.00 0.00 -0.80 0.00 3.08 -1.49 -3.32 114.38 111.85 2bum h ARG 166 Ca -0.00 0.00 0.07 0.00 0.07 0.00 0.00 59.98 60.12 2bum h ARG 166 Cb 0.14 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.14 2bum h ARG 166 CO 0.00 0.00 0.52 0.00 -1.07 0.00 0.00 179.97 179.43 2bum h ARG 167 N 0.00 0.83 0.00 0.04 3.08 -1.53 -1.25 114.38 115.55 2bum h ARG 167 Ca 0.00 -0.05 -0.00 0.00 0.07 0.00 0.00 59.98 60.00 2bum h ARG 167 Cb 0.96 -0.19 -0.00 0.00 0.08 0.00 0.00 29.97 30.82 2bum h ARG 167 CO 0.00 0.55 -0.00 -0.56 -1.07 0.00 0.00 179.97 178.88 2bum h GLN 168 N 0.85 0.00 0.00 0.04 3.07 -1.72 -1.47 115.11 115.89 2bum h GLN 168 Ca 0.35 0.00 0.00 0.00 0.09 0.00 0.00 58.65 59.09 2bum h GLN 168 Cb 0.26 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.82 2bum h GLN 168 CO -0.12 0.00 0.00 0.25 0.09 0.00 0.00 178.83 179.05 2bum n THR 169 N -3.11 0.95 0.78 1.86 -2.24 -0.47 -2.27 114.28 109.78 2bum n THR 169 Ca -0.01 0.36 0.12 0.00 -2.27 0.00 0.00 64.05 62.24 2bum n THR 169 Cb 0.18 -1.29 0.26 0.00 -2.10 0.00 0.00 70.33 67.38 2bum n THR 169 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2bum n LEU 170 N -2.13 2.74 -4.52 3.22 4.77 -0.55 -4.82 117.00 115.72 2bum n LEU 170 Ca 0.01 -1.11 -0.38 0.00 -0.03 0.00 0.00 56.01 54.50 2bum n LEU 170 Cb 0.17 -0.15 -0.11 0.00 -2.33 0.00 0.00 43.42 41.00 2bum n LEU 170 CO 0.16 0.56 -0.19 -0.69 -1.33 0.00 0.00 177.39 175.89 2bum s VAL 171 N -1.70 4.97 0.38 4.08 1.01 -0.96 0.30 120.40 128.47 2bum s VAL 171 Ca 0.35 -0.09 -0.17 0.00 0.00 0.00 0.00 61.98 62.08 2bum s VAL 171 Cb 0.21 -3.43 -0.09 0.00 0.00 0.00 0.00 36.38 33.06 2bum s VAL 171 CO 0.30 0.18 0.82 0.00 0.00 0.00 0.00 175.10 176.41 2bum s ALA 172 N 1.70 3.22 -0.21 5.51 0.00 0.42 -4.85 121.76 127.54 2bum s ALA 172 Ca 0.06 0.14 -0.12 0.00 0.00 0.00 0.00 51.96 52.04 2bum s ALA 172 Cb -0.16 -2.91 -0.05 0.00 0.00 0.00 0.00 23.12 20.00 2bum s ALA 172 CO 0.09 0.20 0.22 0.15 0.00 0.00 0.00 175.76 176.42 2bum s LYS 173 N -3.20 4.15 0.19 0.00 1.02 -0.79 -1.80 119.74 119.30 2bum s LYS 173 Ca 0.57 -0.10 -0.30 0.00 0.02 0.00 0.00 55.97 56.16 2bum s LYS 173 Cb -0.10 -3.49 -0.08 0.00 -0.52 0.00 0.00 37.83 33.64 2bum s LYS 173 CO 0.18 0.12 1.05 0.50 -0.92 0.00 0.00 175.35 176.29 2bum s ARG 174 N 0.85 4.66 0.08 1.68 3.52 -1.26 -1.09 118.95 127.39 2bum s ARG 174 Ca 0.11 1.65 -0.05 0.00 -0.13 0.00 0.00 55.73 57.32 2bum s ARG 174 Cb -0.13 -3.28 -0.02 0.00 -1.56 0.00 0.00 34.95 29.96 2bum s ARG 174 CO 0.04 0.19 0.09 -1.21 -0.81 0.00 0.00 175.30 173.59 2bum s GLU 175 N -0.61 0.78 -0.48 5.12 2.02 0.50 -4.98 118.70 121.05 2bum s GLU 175 Ca 0.47 -1.14 0.03 0.00 0.02 0.00 0.00 54.97 54.35 2bum s GLU 175 Cb -0.28 0.28 0.15 0.00 0.10 0.00 0.00 34.13 34.37 2bum s GLU 175 CO 0.35 -0.21 0.31 -1.21 0.02 0.00 0.00 175.26 174.51 2bum s GLU 176 N -3.92 1.44 -0.85 1.61 2.02 -1.26 -1.38 118.70 116.36 2bum s GLU 176 Ca 0.09 -2.28 -0.25 0.00 0.02 0.00 0.00 54.97 52.55 2bum s GLU 176 Cb 0.06 -2.37 0.03 0.00 0.10 0.00 0.00 34.13 31.95 2bum s GLU 176 CO -0.08 -1.23 1.44 1.03 0.02 0.00 0.00 175.26 176.44 2bum s ARG 177 N -0.04 3.26 -1.25 1.61 3.00 -0.41 -4.24 118.95 120.88 2bum s ARG 177 Ca 0.22 -0.53 -0.07 0.00 0.00 0.00 0.00 55.73 55.36 2bum s ARG 177 Cb -0.15 -4.72 -0.01 0.00 0.00 0.00 0.00 34.95 30.06 2bum s ARG 177 CO -0.07 -2.30 0.70 -0.25 0.00 0.00 0.00 175.30 173.38 2bum n ASP 178 N 9.75 -2.67 0.00 0.23 8.00 -1.26 -2.07 116.55 128.54 2bum n ASP 178 Ca 0.19 -0.90 0.00 0.00 0.71 0.00 0.00 54.79 54.79 2bum n ASP 178 Cb 0.50 -3.79 0.00 0.00 -0.02 0.00 0.00 41.12 37.81 2bum n ASP 178 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2bum n GLY 179 N -1.65 3.05 3.81 0.44 0.00 -1.26 -5.03 105.19 104.56 2bum n GLY 179 Ca -0.22 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.41 2bum n GLY 179 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2bum s GLU 180 N -0.30 4.16 -0.14 1.61 2.02 -0.88 -5.06 118.70 120.10 2bum s GLU 180 Ca 0.00 0.68 -0.18 0.00 0.02 0.00 0.00 54.97 55.49 2bum s GLU 180 Cb 0.00 -3.24 -0.04 0.00 0.10 0.00 0.00 34.13 30.95 2bum s GLU 180 CO 0.00 0.64 0.48 0.08 0.02 0.00 0.00 175.26 176.48 2bum s VAL 181 N -1.06 5.17 -0.03 2.63 1.01 -1.26 -1.28 120.40 125.57 2bum s VAL 181 Ca 0.28 0.94 0.04 0.00 0.00 0.00 0.00 61.98 63.25 2bum s VAL 181 Cb -0.19 -3.82 -0.01 0.00 0.00 0.00 0.00 36.38 32.37 2bum s VAL 181 CO 0.18 0.28 -0.16 -0.69 0.00 0.00 0.00 175.10 174.71 2bum s VAL 182 N 0.92 1.32 -0.19 2.92 1.01 -0.48 -1.03 120.40 124.87 2bum s VAL 182 Ca 0.25 -0.67 -0.02 0.00 0.00 0.00 0.00 61.98 61.54 2bum s VAL 182 Cb -0.15 -1.12 -0.01 0.00 0.00 0.00 0.00 36.38 35.10 2bum s VAL 182 CO 0.10 0.38 -0.09 -0.31 0.00 0.00 0.00 175.10 175.17 2bum s TYR 183 N -0.06 2.89 -0.20 5.22 2.02 0.40 -0.37 117.35 127.24 2bum s TYR 183 Ca -0.01 -0.98 -0.16 0.00 -0.37 0.00 0.00 57.07 55.55 2bum s TYR 183 Cb -0.10 -2.00 -0.04 0.00 -0.40 0.00 0.00 41.96 39.43 2bum s TYR 183 CO 0.01 -0.50 0.41 0.50 -1.57 0.00 0.00 175.55 174.41 2bum s ARG 184 N 1.13 4.18 -0.21 -0.62 6.06 -0.25 -1.49 118.95 127.74 2bum s ARG 184 Ca 0.01 0.23 -0.02 0.00 -2.50 0.00 0.00 55.73 53.45 2bum s ARG 184 Cb -0.14 -3.53 0.07 0.00 0.06 0.00 0.00 34.95 31.40 2bum s ARG 184 CO -0.02 -0.04 0.04 0.12 -2.50 0.00 0.00 175.30 172.89 2bum s PHE 185 N 1.31 1.19 -0.10 5.12 5.36 0.14 -1.89 117.98 129.11 2bum s PHE 185 Ca 0.20 -1.04 -0.09 0.00 -0.96 0.00 0.00 56.93 55.04 2bum s PHE 185 Cb -0.15 -1.15 -0.04 0.00 -0.34 0.00 0.00 43.02 41.34 2bum s PHE 185 CO 0.08 -0.66 0.20 -0.51 -1.46 0.00 0.00 175.22 172.87 2bum s ASP 186 N 1.80 6.46 -0.18 6.13 1.01 -1.26 -3.92 116.67 126.71 2bum s ASP 186 Ca 0.00 0.55 -0.04 0.00 0.71 0.00 0.00 52.55 53.77 2bum s ASP 186 Cb -0.17 -2.11 -0.02 0.00 1.01 0.00 0.00 42.92 41.63 2bum s ASP 186 CO -0.11 0.37 -0.03 -0.63 0.21 0.00 0.00 175.17 174.97 2bum s ILE 187 N -0.88 3.73 -0.31 0.77 1.01 0.26 -4.96 121.20 120.81 2bum s ILE 187 Ca 0.16 -0.40 -0.03 0.00 0.00 0.00 0.00 60.65 60.38 2bum s ILE 187 Cb -0.13 -2.66 0.05 0.00 0.01 0.00 0.00 42.46 39.73 2bum s ILE 187 CO 0.05 0.46 0.03 -0.13 0.00 0.00 0.00 174.94 175.35 2bum s ARG 188 N 0.83 2.50 0.29 2.79 0.52 -1.26 -0.78 118.95 123.84 2bum s ARG 188 Ca -0.01 -1.23 0.05 0.00 -0.52 0.00 0.00 55.73 54.02 2bum s ARG 188 Cb -0.14 -3.25 0.45 0.00 0.52 0.00 0.00 34.95 32.53 2bum s ARG 188 CO 0.02 -0.62 1.72 0.82 0.02 0.00 0.00 175.30 177.25 2bum h ILE 189 N 6.38 1.28 -3.31 1.52 2.04 -1.58 0.02 117.51 123.86 2bum h ILE 189 Ca -0.22 -1.38 -0.15 0.00 1.00 0.00 0.00 64.86 64.11 2bum h ILE 189 Cb 1.07 1.53 -0.23 0.00 -0.74 0.00 0.00 36.82 38.45 2bum h ILE 189 CO 0.55 0.42 -0.45 -1.58 0.00 0.00 0.00 178.15 177.09 2bum s GLN 190 N -4.31 0.41 0.00 2.37 0.74 -1.26 -4.78 119.66 112.83 2bum s GLN 190 Ca -0.06 -0.06 0.00 0.00 0.05 0.00 0.00 55.36 55.30 2bum s GLN 190 Cb 0.14 0.18 0.00 0.00 1.10 0.00 0.00 33.01 34.43 2bum s GLN 190 CO 0.78 -0.09 0.00 0.41 -0.55 0.00 0.00 175.29 175.84 2bum n GLY 191 N 2.10 -0.82 3.78 2.59 0.00 -1.26 -4.50 105.19 107.07 2bum n GLY 191 Ca -0.18 -1.95 -0.41 0.00 0.00 0.00 0.00 46.02 43.48 2bum n GLY 191 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2bum s GLU 192 N 0.00 4.16 -1.46 1.61 2.02 -1.26 -2.15 118.70 121.62 2bum s GLU 192 Ca 0.00 2.50 -0.10 0.00 0.02 0.00 0.00 54.97 57.38 2bum s GLU 192 Cb 0.00 -2.99 0.05 0.00 0.10 0.00 0.00 34.13 31.29 2bum s GLU 192 CO 0.00 -0.47 0.85 0.09 0.02 0.00 0.00 175.26 175.76 2bum n ASN 193 N 0.64 -5.22 -4.72 -0.19 3.02 -1.26 -4.88 115.26 102.65 2bum n ASN 193 Ca 0.01 -0.56 -0.42 0.00 -0.03 0.00 0.00 54.58 53.59 2bum n ASN 193 Cb 0.40 -4.18 -0.03 0.00 -0.61 0.00 0.00 39.78 35.35 2bum n ASN 193 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 2bum s GLU 194 N -6.26 4.17 0.44 3.52 2.12 -0.91 -4.61 118.70 117.16 2bum s GLU 194 Ca 0.53 2.49 -0.25 0.00 0.36 0.00 0.00 54.97 58.10 2bum s GLU 194 Cb -0.26 -3.11 -0.08 0.00 0.26 0.00 0.00 34.13 30.94 2bum s GLU 194 CO 0.65 -0.68 1.29 0.99 -0.54 0.00 0.00 175.26 176.97 2bum s THR 195 N 1.14 2.61 0.20 -1.70 2.01 -0.01 -4.96 115.64 114.93 2bum s THR 195 Ca 0.72 0.51 -0.30 0.00 0.31 0.00 0.00 61.69 62.94 2bum s THR 195 Cb -0.47 -3.29 -0.08 0.00 0.01 0.00 0.00 72.50 68.67 2bum s THR 195 CO 0.32 0.05 1.25 -0.69 -0.69 0.00 0.00 174.62 174.85 2bum s VAL 196 N -1.32 3.38 0.08 3.82 1.01 -1.26 -4.95 120.40 121.16 2bum s VAL 196 Ca 0.61 1.16 0.09 0.00 0.00 0.00 0.00 61.98 63.84 2bum s VAL 196 Cb -0.37 -3.74 -0.03 0.00 0.00 0.00 0.00 36.38 32.24 2bum s VAL 196 CO 0.46 0.18 -0.23 -0.36 0.00 0.00 0.00 175.10 175.15 2bum s PHE 197 N -0.03 2.03 0.15 5.22 0.08 -1.26 -4.67 117.98 119.50 2bum s PHE 197 Ca 0.54 -0.39 0.07 0.00 0.12 0.00 0.00 56.93 57.27 2bum s PHE 197 Cb -0.35 -1.16 -0.04 0.00 -0.57 0.00 0.00 43.02 40.91 2bum s PHE 197 CO 0.38 0.18 -0.02 -0.06 -0.10 0.00 0.00 175.22 175.61 2bum s PHE 198 N -0.95 2.85 -0.38 0.36 0.08 0.51 -4.99 117.98 115.46 2bum s PHE 198 Ca 0.10 -0.12 -0.12 0.00 0.12 0.00 0.00 56.93 56.91 2bum s PHE 198 Cb -0.10 -1.41 0.02 0.00 -0.57 0.00 0.00 43.02 40.97 2bum s PHE 198 CO 0.03 0.50 0.22 0.34 -0.10 0.00 0.00 175.22 176.21 2bum s ASP 199 N -2.73 5.79 0.00 1.36 -1.08 -1.26 -4.22 116.67 114.53 2bum s ASP 199 Ca 0.26 -0.93 0.17 0.00 -0.52 0.00 0.00 52.55 51.53 2bum s ASP 199 Cb -0.10 -2.05 0.13 0.00 -1.46 0.00 0.00 42.92 39.45 2bum s ASP 199 CO 0.18 -0.38 1.04 2.30 0.52 0.00 0.00 175.17 178.83