#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cbw s VAL 17 N 0.00 3.92 -0.41 1.39 1.01 -1.26 -4.07 120.40 120.98 1cbw s VAL 17 Ca 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 61.98 61.66 1cbw s VAL 17 Cb 0.00 -2.77 0.00 0.00 0.00 0.00 0.00 36.38 33.61 1cbw s VAL 17 CO 0.00 0.42 0.00 0.59 0.00 0.00 0.00 175.10 176.11 1cbw n ASN 18 N 4.31 -3.37 -4.80 3.32 4.13 -1.26 -5.05 115.26 112.53 1cbw n ASN 18 Ca -0.17 0.09 -0.23 0.00 1.68 0.00 0.00 54.58 55.95 1cbw n ASN 18 Cb 0.52 -1.31 0.08 0.00 -1.54 0.00 0.00 39.78 37.52 1cbw n ASN 18 CO 0.00 0.00 0.00 -0.83 0.28 0.00 0.00 177.26 176.71 1cbw s GLY 19 N -2.95 1.78 0.38 7.41 0.00 -1.26 -5.11 107.32 107.57 1cbw s GLY 19 Ca 0.00 -1.49 0.08 0.00 0.00 0.00 0.00 44.72 43.30 1cbw s GLY 19 CO 0.00 -1.04 0.37 -0.54 0.00 0.00 0.00 173.10 171.89 1cbw s GLU 20 N -5.03 2.68 0.16 2.90 2.02 -1.26 -5.10 118.70 115.08 1cbw s GLU 20 Ca 0.63 -1.37 -0.26 0.00 0.02 0.00 0.00 54.97 53.98 1cbw s GLU 20 Cb -0.08 -2.49 -0.08 0.00 0.10 0.00 0.00 34.13 31.59 1cbw s GLU 20 CO 0.42 -0.07 0.82 -2.00 0.02 0.00 0.00 175.26 174.45 1cbw s GLU 21 N -4.10 4.62 0.72 1.61 2.12 -1.26 -5.05 118.70 117.36 1cbw s GLU 21 Ca 0.46 1.23 -0.11 0.00 0.36 0.00 0.00 54.97 56.90 1cbw s GLU 21 Cb -0.05 -3.28 0.02 0.00 0.26 0.00 0.00 34.13 31.08 1cbw s GLU 21 CO 0.28 0.51 1.08 0.00 -0.54 0.00 0.00 175.26 176.59 1cbw s ALA 22 N -0.96 2.69 -0.31 6.30 0.00 -1.26 -4.99 121.76 123.24 1cbw s ALA 22 Ca 0.38 -0.20 -0.23 0.00 0.00 0.00 0.00 51.96 51.90 1cbw s ALA 22 Cb -0.23 -3.08 0.00 0.00 0.00 0.00 0.00 23.12 19.81 1cbw s ALA 22 CO 0.27 -1.27 0.79 0.08 0.00 0.00 0.00 175.76 175.63 1cbw s VAL 23 N -3.22 4.79 -0.32 0.00 1.01 -1.26 -4.94 120.40 116.46 1cbw s VAL 23 Ca 0.58 1.19 -0.38 0.00 0.00 0.00 0.00 61.98 63.37 1cbw s VAL 23 Cb -0.13 -4.15 -0.17 0.00 0.00 0.00 0.00 36.38 31.94 1cbw s VAL 23 CO 0.53 -0.25 1.25 -2.65 0.00 0.00 0.00 175.10 173.98 1cbw n PRO 24 N 6.20 0.00 -0.94 2.72 -0.02 -1.26 -0.63 135.00 141.07 1cbw n PRO 24 Ca 0.04 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.52 1cbw n PRO 24 Cb 0.48 -1.27 0.00 0.00 -0.02 0.00 0.00 33.50 32.69 1cbw n PRO 24 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1cbw n GLY 25 N 2.88 0.81 0.06 -1.23 0.00 -1.26 -4.93 105.19 101.52 1cbw n GLY 25 Ca 0.24 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.37 1cbw n GLY 25 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1cbw n SER 26 N -0.02 0.38 -3.49 1.61 3.41 0.20 -3.74 113.62 111.97 1cbw n SER 26 Ca 0.00 0.57 -0.27 0.00 -0.26 0.00 0.00 58.87 58.91 1cbw n SER 26 Cb 0.01 -0.66 -0.10 0.00 -0.26 0.00 0.00 64.21 63.21 1cbw n SER 26 CO 0.00 0.00 0.00 0.79 -0.16 0.00 0.00 175.04 175.67 1cbw n TRP 27 N -1.89 1.16 0.30 7.33 7.02 -1.26 -4.98 117.44 125.12 1cbw n TRP 27 Ca 0.04 -3.79 0.08 0.00 -1.02 0.00 0.00 57.50 52.82 1cbw n TRP 27 Cb 0.28 -0.26 0.38 0.00 -2.42 0.00 0.00 31.31 29.29 1cbw n TRP 27 CO 0.00 0.00 0.00 -0.35 -2.02 0.00 0.00 177.69 175.32 1cbw n PRO 28 N 1.92 0.10 0.09 -0.99 -0.04 -1.25 -3.06 135.00 131.77 1cbw n PRO 28 Ca 0.25 0.44 0.04 0.00 -0.04 0.00 0.00 63.50 64.20 1cbw n PRO 28 Cb 0.44 -1.73 -0.02 0.00 -0.04 0.00 0.00 33.50 32.15 1cbw n PRO 28 CO 0.00 0.00 0.00 0.11 -0.04 0.00 0.00 175.50 175.57 1cbw h TRP 29 N 0.00 0.00 -2.23 0.54 0.09 -1.87 -2.71 115.95 109.77 1cbw h TRP 29 Ca 0.00 0.00 -0.55 0.00 0.09 0.00 0.00 58.89 58.43 1cbw h TRP 29 Cb 0.19 0.00 0.01 0.00 0.08 0.00 0.00 29.16 29.44 1cbw h TRP 29 CO 0.00 0.36 1.33 -1.14 0.09 0.00 0.00 178.44 179.08 1cbw s GLN 30 N -3.07 3.77 0.31 0.12 2.00 -1.17 -0.03 119.66 121.59 1cbw s GLN 30 Ca -0.00 2.41 0.09 0.00 -2.00 0.00 0.00 55.36 55.86 1cbw s GLN 30 Cb 0.08 -4.24 -0.05 0.00 0.80 0.00 0.00 33.01 29.61 1cbw s GLN 30 CO 0.78 -1.37 0.05 0.14 -0.50 0.00 0.00 175.29 174.39 1cbw s VAL 31 N 5.86 3.09 -0.10 1.34 -7.23 0.05 -4.65 120.40 118.77 1cbw s VAL 31 Ca 0.93 -1.85 0.02 0.00 -1.81 0.00 0.00 61.98 59.27 1cbw s VAL 31 Cb -0.39 -2.88 -0.01 0.00 0.56 0.00 0.00 36.38 33.65 1cbw s VAL 31 CO 0.39 -0.26 -0.17 -0.55 -0.31 0.00 0.00 175.10 174.20 1cbw s SER 32 N -3.75 3.69 -0.19 4.85 0.15 -0.88 -1.55 113.70 116.02 1cbw s SER 32 Ca 0.34 -0.38 -0.10 0.00 0.70 0.00 0.00 55.95 56.52 1cbw s SER 32 Cb -0.03 -1.30 -0.05 0.00 -1.71 0.00 0.00 66.02 62.93 1cbw s SER 32 CO 0.21 0.21 0.15 -0.76 1.20 0.00 0.00 173.24 174.25 1cbw s LEU 33 N 0.06 4.22 0.04 3.45 1.43 0.40 -1.07 118.68 127.20 1cbw s LEU 33 Ca -0.07 0.27 -0.01 0.00 -1.03 0.00 0.00 54.13 53.29 1cbw s LEU 33 Cb -0.15 -2.12 -0.03 0.00 0.03 0.00 0.00 46.19 43.92 1cbw s LEU 33 CO 0.05 0.17 -0.02 -1.10 0.23 0.00 0.00 176.35 175.68 1cbw s GLN 34 N 0.34 0.49 0.78 1.70 -0.21 -0.39 -2.34 119.66 120.04 1cbw s GLN 34 Ca 0.09 -0.95 -0.12 0.00 0.02 0.00 0.00 55.36 54.41 1cbw s GLN 34 Cb -0.11 0.17 0.06 0.00 1.00 0.00 0.00 33.01 34.13 1cbw s GLN 34 CO -0.01 -0.09 1.14 0.16 -2.12 0.00 0.00 175.29 174.37 1cbw s ASP 35 N -2.29 4.73 0.30 5.90 1.47 -0.28 0.08 116.67 126.58 1cbw s ASP 35 Ca -0.03 0.95 0.06 0.00 1.18 0.00 0.00 52.55 54.71 1cbw s ASP 35 Cb 0.00 -1.56 0.75 0.00 -0.34 0.00 0.00 42.92 41.77 1cbw s ASP 35 CO -0.06 -1.78 1.77 0.07 0.68 0.00 0.00 175.17 175.85 1cbw h LYS 36 N -0.97 0.71 -0.15 2.11 2.10 -1.91 0.27 116.57 118.73 1cbw h LYS 36 Ca -0.46 -0.04 0.00 0.00 -2.00 0.00 0.00 60.65 58.15 1cbw h LYS 36 Cb 1.30 -0.16 0.00 0.00 -0.90 0.00 0.00 32.23 32.47 1cbw h LYS 36 CO 0.64 0.47 0.00 0.25 -2.00 0.00 0.00 179.45 178.82 1cbw n THR 37 N -4.79 0.00 0.00 0.07 -2.24 -1.26 -4.84 114.28 101.22 1cbw n THR 37 Ca 0.24 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.02 1cbw n THR 37 Cb 0.59 -0.18 0.00 0.00 -2.10 0.00 0.00 70.33 68.65 1cbw n THR 37 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1cbw n GLY 38 N 0.22 2.66 3.73 3.38 0.00 0.95 -5.02 105.19 111.12 1cbw n GLY 38 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1cbw n GLY 38 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1cbw s PHE 39 N -2.10 2.95 -0.20 1.61 5.36 -1.26 -4.66 117.98 119.68 1cbw s PHE 39 Ca 0.00 0.67 -0.18 0.00 -0.96 0.00 0.00 56.93 56.46 1cbw s PHE 39 Cb 0.00 -3.99 -0.03 0.00 -0.34 0.00 0.00 43.02 38.66 1cbw s PHE 39 CO 0.00 -3.52 0.52 -1.58 -1.46 0.00 0.00 175.22 169.18 1cbw s HIS 40 N 0.68 3.37 0.00 10.12 5.65 -1.26 -1.13 115.29 132.72 1cbw s HIS 40 Ca 0.68 0.77 0.00 0.00 0.25 0.00 0.00 55.06 56.76 1cbw s HIS 40 Cb -0.46 -2.67 0.00 0.00 -1.18 0.00 0.00 32.58 28.27 1cbw s HIS 40 CO 0.37 -0.11 0.00 1.97 -0.65 0.00 0.00 174.74 176.32 1cbw n PHE 41 N 4.82 0.00 -3.51 3.88 -1.74 -0.99 -5.02 117.46 114.90 1cbw n PHE 41 Ca -0.05 0.00 -0.14 0.00 -0.56 0.00 0.00 57.45 56.70 1cbw n PHE 41 Cb 0.50 0.00 -0.04 0.00 1.52 0.00 0.00 39.48 41.46 1cbw n PHE 41 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 1cbw n GLY 43 N 0.21 0.71 3.77 0.00 0.00 -1.26 -0.46 105.19 108.16 1cbw n GLY 43 Ca -0.18 -2.00 -0.02 0.00 0.00 0.00 0.00 46.02 43.82 1cbw n GLY 43 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1cbw s GLY 44 N -4.05 -0.18 -0.03 -0.02 0.00 -0.60 -4.67 107.32 97.77 1cbw s GLY 44 Ca 0.41 0.13 -0.04 0.00 0.00 0.00 0.00 44.72 45.22 1cbw s GLY 44 CO 0.27 0.93 0.10 -0.45 0.00 0.00 0.00 173.10 173.95 1cbw s SER 45 N -3.12 -0.06 0.01 1.64 0.15 -0.96 -0.77 113.70 110.59 1cbw s SER 45 Ca 0.16 0.09 -0.25 0.00 0.70 0.00 0.00 55.95 56.65 1cbw s SER 45 Cb -0.00 0.20 -0.05 0.00 -1.71 0.00 0.00 66.02 64.46 1cbw s SER 45 CO 0.01 -0.10 0.78 -0.76 1.20 0.00 0.00 173.24 174.37 1cbw s LEU 46 N -0.27 4.41 0.00 3.45 1.43 0.95 -1.09 118.68 127.57 1cbw s LEU 46 Ca -0.03 1.42 0.10 0.00 -1.03 0.00 0.00 54.13 54.59 1cbw s LEU 46 Cb -0.02 -3.24 -0.01 0.00 0.03 0.00 0.00 46.19 42.94 1cbw s LEU 46 CO 0.00 -0.06 0.64 2.30 0.23 0.00 0.00 176.35 179.46 1cbw n ILE 47 N 3.20 0.00 -4.02 -0.59 -5.35 -0.26 -0.56 119.36 111.79 1cbw n ILE 47 Ca -0.01 -0.38 0.03 0.00 -0.27 0.00 0.00 62.75 62.12 1cbw n ILE 47 Cb 0.51 1.12 0.01 0.00 -1.74 0.00 0.00 39.64 39.53 1cbw n ILE 47 CO 0.00 0.00 0.00 -0.46 -1.76 0.00 0.00 176.55 174.33 1cbw n ASN 48 N -0.30 -0.80 0.30 7.28 0.23 -1.23 -4.73 115.26 116.01 1cbw n ASN 48 Ca 0.04 -1.06 0.17 0.00 -0.53 0.00 0.00 54.58 53.21 1cbw n ASN 48 Cb 0.22 1.22 0.93 0.00 -2.08 0.00 0.00 39.78 40.06 1cbw n ASN 48 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 1cbw h GLU 49 N 0.00 0.00 -0.00 -3.83 3.07 -1.96 -3.25 114.58 108.60 1cbw h GLU 49 Ca -0.15 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.71 1cbw h GLU 49 Cb 0.89 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.80 1cbw h GLU 49 CO 0.22 0.04 -0.15 0.09 -1.40 0.00 0.00 179.01 177.81 1cbw n ASN 50 N -3.39 0.69 -4.02 1.42 3.02 -1.26 0.43 115.26 112.15 1cbw n ASN 50 Ca -0.02 -0.85 -0.21 0.00 -0.03 0.00 0.00 54.58 53.48 1cbw n ASN 50 Cb 0.16 0.63 -0.15 0.00 -0.61 0.00 0.00 39.78 39.81 1cbw n ASN 50 CO 0.00 0.00 0.00 0.26 -2.62 0.00 0.00 177.26 174.90 1cbw s TRP 51 N -1.10 1.01 -0.05 3.10 0.52 -1.23 -0.10 118.94 121.09 1cbw s TRP 51 Ca 0.04 -0.24 0.05 0.00 0.02 0.00 0.00 56.10 55.96 1cbw s TRP 51 Cb 0.04 -0.70 -0.02 0.00 -1.15 0.00 0.00 33.47 31.64 1cbw s TRP 51 CO 0.16 -0.09 -0.20 0.08 0.02 0.00 0.00 176.95 176.92 1cbw s VAL 52 N 0.10 2.58 -0.26 4.03 1.01 -1.03 -1.10 120.40 125.73 1cbw s VAL 52 Ca -0.02 -0.90 -0.06 0.00 0.00 0.00 0.00 61.98 61.01 1cbw s VAL 52 Cb -0.08 -1.97 -0.00 0.00 0.00 0.00 0.00 36.38 34.33 1cbw s VAL 52 CO 0.00 0.58 0.04 -0.69 0.00 0.00 0.00 175.10 175.03 1cbw s VAL 53 N -0.54 3.83 0.38 2.92 1.01 -0.25 -0.97 120.40 126.79 1cbw s VAL 53 Ca 0.07 -0.56 0.04 0.00 0.00 0.00 0.00 61.98 61.53 1cbw s VAL 53 Cb -0.11 -2.88 -0.04 0.00 0.00 0.00 0.00 36.38 33.35 1cbw s VAL 53 CO 0.01 0.22 0.08 0.28 0.00 0.00 0.00 175.10 175.70 1cbw s THR 54 N 1.51 0.94 0.36 3.92 -1.32 -0.18 -2.27 115.64 118.59 1cbw s THR 54 Ca 0.04 -2.00 -0.25 0.00 -1.21 0.00 0.00 61.69 58.27 1cbw s THR 54 Cb -0.16 -2.55 -0.09 0.00 -1.51 0.00 0.00 72.50 68.19 1cbw s THR 54 CO 0.01 0.00 1.01 0.00 -2.21 0.00 0.00 174.62 173.43 1cbw s ALA 55 N -3.22 3.16 0.13 11.08 0.00 -1.26 -0.59 121.76 131.06 1cbw s ALA 55 Ca 0.28 0.64 -0.20 0.00 0.00 0.00 0.00 51.96 52.69 1cbw s ALA 55 Cb 0.05 -3.24 -0.04 0.00 0.00 0.00 0.00 23.12 19.90 1cbw s ALA 55 CO 0.14 -0.05 1.73 0.00 0.00 0.00 0.00 175.76 177.58 1cbw h ALA 56 N 2.85 0.19 0.00 0.00 0.00 -1.71 -1.85 119.26 118.75 1cbw h ALA 56 Ca -0.48 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.47 1cbw h ALA 56 Cb 1.20 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.05 1cbw h ALA 56 CO 0.64 -0.40 0.00 -2.39 0.00 0.00 0.00 179.25 177.10 1cbw n HIS 57 N -5.09 0.00 0.02 0.00 1.44 -1.26 -2.05 115.22 108.28 1cbw n HIS 57 Ca -0.03 0.00 -0.04 0.00 -2.01 0.00 0.00 57.72 55.65 1cbw n HIS 57 Cb 0.09 -0.09 0.19 0.00 0.12 0.00 0.00 29.99 30.31 1cbw n HIS 57 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1cbw n GLY 59 N -0.32 0.16 3.73 0.00 0.00 -0.87 -5.00 105.19 102.89 1cbw n GLY 59 Ca -0.01 -0.21 -0.34 0.00 0.00 0.00 0.00 46.02 45.46 1cbw n GLY 59 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1cbw s VAL 60 N -3.16 2.54 0.25 1.61 1.01 -1.26 -5.05 120.40 116.32 1cbw s VAL 60 Ca 0.18 0.27 0.01 0.00 0.00 0.00 0.00 61.98 62.43 1cbw s VAL 60 Cb -0.08 -2.84 -0.04 0.00 0.00 0.00 0.00 36.38 33.42 1cbw s VAL 60 CO 0.35 -0.14 0.13 0.42 0.00 0.00 0.00 175.10 175.86 1cbw s THR 61 N -2.03 0.27 -2.00 3.92 -4.23 -1.26 -4.96 115.64 105.35 1cbw s THR 61 Ca 0.73 -2.00 0.06 0.00 -1.18 0.00 0.00 61.69 59.30 1cbw s THR 61 Cb -0.27 -2.56 0.16 0.00 1.34 0.00 0.00 72.50 71.17 1cbw s THR 61 CO 0.43 0.00 0.83 0.35 -0.54 0.00 0.00 174.62 175.69 1cbw n THR 62 N -0.41 0.00 0.57 3.99 -2.24 -1.26 -1.68 114.28 113.25 1cbw n THR 62 Ca 0.01 0.00 0.06 0.00 -2.27 0.00 0.00 64.05 61.85 1cbw n THR 62 Cb 0.66 -0.41 -0.06 0.00 -2.10 0.00 0.00 70.33 68.42 1cbw n THR 62 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1cbw n SER 63 N -0.67 0.62 -4.91 3.42 7.64 -1.26 -4.53 113.62 113.93 1cbw n SER 63 Ca 0.04 -0.81 -0.27 0.00 1.01 0.00 0.00 58.87 58.84 1cbw n SER 63 Cb 0.02 0.97 0.02 0.00 -1.01 0.00 0.00 64.21 64.21 1cbw n SER 63 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 1cbw s ASP 64 N -2.10 5.78 -0.02 6.43 1.01 -0.68 -3.99 116.67 123.10 1cbw s ASP 64 Ca 0.05 0.86 0.07 0.00 0.71 0.00 0.00 52.55 54.23 1cbw s ASP 64 Cb 0.09 -1.91 -0.02 0.00 1.01 0.00 0.00 42.92 42.10 1cbw s ASP 64 CO 0.48 -0.97 -0.22 -0.69 0.21 0.00 0.00 175.17 173.99 1cbw s VAL 65 N -2.99 1.71 -0.06 -1.27 1.01 0.11 -4.12 120.40 114.79 1cbw s VAL 65 Ca 0.53 -0.92 -0.18 0.00 0.00 0.00 0.00 61.98 61.41 1cbw s VAL 65 Cb -0.11 -1.42 -0.05 0.00 0.00 0.00 0.00 36.38 34.81 1cbw s VAL 65 CO 0.46 0.48 0.48 -0.69 0.00 0.00 0.00 175.10 175.83 1cbw s VAL 66 N -0.47 5.09 -0.26 2.92 1.01 -0.71 -1.26 120.40 126.73 1cbw s VAL 66 Ca 0.07 0.97 0.02 0.00 0.00 0.00 0.00 61.98 63.04 1cbw s VAL 66 Cb -0.09 -3.81 0.06 0.00 0.00 0.00 0.00 36.38 32.55 1cbw s VAL 66 CO -0.01 0.42 -0.07 -0.69 0.00 0.00 0.00 175.10 174.75 1cbw s VAL 67 N -0.01 1.85 0.15 2.92 1.01 -0.23 -0.82 120.40 125.27 1cbw s VAL 67 Ca 0.26 -1.49 0.05 0.00 0.00 0.00 0.00 61.98 60.80 1cbw s VAL 67 Cb -0.16 -2.07 -0.04 0.00 0.00 0.00 0.00 36.38 34.11 1cbw s VAL 67 CO 0.12 -0.12 0.09 0.00 0.00 0.00 0.00 175.10 175.19 1cbw s ALA 68 N 1.23 3.47 0.00 5.51 0.00 -0.03 -2.08 121.76 129.86 1cbw s ALA 68 Ca -0.06 -1.22 0.00 0.00 0.00 0.00 0.00 51.96 50.69 1cbw s ALA 68 Cb -0.19 -1.28 0.00 0.00 0.00 0.00 0.00 23.12 21.65 1cbw s ALA 68 CO -0.06 0.54 0.00 0.41 0.00 0.00 0.00 175.76 176.65 1cbw n GLY 69 N -0.14 3.29 3.83 0.00 0.00 -1.26 0.13 105.19 111.04 1cbw n GLY 69 Ca -0.09 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.62 1cbw n GLY 69 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1cbw s GLU 70 N -0.85 3.21 0.09 1.61 2.12 -1.26 -4.70 118.70 118.93 1cbw s GLU 70 Ca 0.00 0.98 0.00 0.00 0.36 0.00 0.00 54.97 56.31 1cbw s GLU 70 Cb 0.00 -2.03 0.00 0.00 0.26 0.00 0.00 34.13 32.36 1cbw s GLU 70 CO 0.00 -0.88 0.00 0.34 -0.54 0.00 0.00 175.26 174.18 1cbw n PHE 71 N -2.69 -1.29 -3.65 5.30 7.35 -1.26 -4.90 117.46 116.31 1cbw n PHE 71 Ca 0.07 0.21 -0.38 0.00 -0.76 0.00 0.00 57.45 56.59 1cbw n PHE 71 Cb 0.53 0.76 -0.12 0.00 0.35 0.00 0.00 39.48 41.01 1cbw n PHE 71 CO 0.00 0.00 0.00 0.34 -0.76 0.00 0.00 176.76 176.34 1cbw s ASP 72 N -4.29 5.62 0.00 -2.13 -1.08 -1.26 -4.92 116.67 108.61 1cbw s ASP 72 Ca 0.00 -0.29 0.28 0.00 -0.52 0.00 0.00 52.55 52.02 1cbw s ASP 72 Cb 0.00 -2.03 1.09 0.00 -1.46 0.00 0.00 42.92 40.52 1cbw s ASP 72 CO 0.00 -0.12 1.81 0.00 0.52 0.00 0.00 175.17 177.38 1cbw n GLN 73 N 5.00 0.12 0.10 4.34 6.02 -1.26 -3.68 117.38 128.01 1cbw n GLN 73 Ca -0.14 -0.03 -0.23 0.00 -0.01 0.00 0.00 57.00 56.59 1cbw n GLN 73 Cb 0.51 -1.50 -0.15 0.00 1.02 0.00 0.00 30.24 30.11 1cbw n GLN 73 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 177.06 176.83 1cbw h GLY 74 N 5.00 0.50 -4.42 1.08 0.00 -2.05 -3.46 103.07 99.72 1cbw h GLY 74 Ca 0.00 -1.29 -0.53 0.00 0.00 0.00 0.00 47.33 45.52 1cbw h GLY 74 CO 0.00 1.13 0.82 -0.56 0.00 0.00 0.00 176.54 177.92 1cbw s SER 75 N -7.37 6.62 -0.11 0.19 0.01 -1.24 -4.93 113.70 106.86 1cbw s SER 75 Ca -0.13 2.64 -0.14 0.00 1.31 0.00 0.00 55.95 59.64 1cbw s SER 75 Cb 0.04 -2.61 -0.26 0.00 0.21 0.00 0.00 66.02 63.40 1cbw s SER 75 CO 0.89 -0.76 0.48 -1.28 0.41 0.00 0.00 173.24 172.98 1cbw h SER 76 N 5.91 0.37 -0.68 2.44 0.87 -1.89 -3.43 113.55 117.14 1cbw h SER 76 Ca -0.44 -0.85 -0.40 0.00 -1.23 0.00 0.00 61.79 58.87 1cbw h SER 76 Cb 1.21 -0.12 -0.06 0.00 -0.44 0.00 0.00 62.40 62.99 1cbw h SER 76 CO 0.84 1.68 1.16 -0.55 -0.53 0.00 0.00 176.83 179.44 1cbw s SER 77 N -7.04 5.49 -0.13 6.23 0.15 -1.26 -4.87 113.70 112.26 1cbw s SER 77 Ca -0.21 -1.41 -0.21 0.00 0.70 0.00 0.00 55.95 54.82 1cbw s SER 77 Cb 0.05 -2.58 0.05 0.00 -1.71 0.00 0.00 66.02 61.84 1cbw s SER 77 CO 0.76 -2.52 0.53 -1.61 1.20 0.00 0.00 173.24 171.59 1cbw s GLU 78 N 6.18 0.74 -1.45 5.44 2.02 -1.26 -5.06 118.70 125.29 1cbw s GLU 78 Ca 0.64 0.45 -0.13 0.00 0.02 0.00 0.00 54.97 55.95 1cbw s GLU 78 Cb -0.02 0.35 -0.01 0.00 0.10 0.00 0.00 34.13 34.55 1cbw s GLU 78 CO 0.05 -0.16 2.41 1.63 0.02 0.00 0.00 175.26 179.22 1cbw n LYS 79 N 2.05 2.99 -3.69 1.61 5.02 -1.26 -4.92 118.16 119.97 1cbw n LYS 79 Ca -0.16 -2.42 -0.35 0.00 -2.02 0.00 0.00 58.31 53.35 1cbw n LYS 79 Cb 0.56 -3.11 -0.08 0.00 -0.02 0.00 0.00 35.03 32.38 1cbw n LYS 79 CO 0.00 0.00 0.00 0.96 -0.52 0.00 0.00 177.40 177.84 1cbw s ILE 80 N 3.02 5.39 0.06 -0.18 -4.36 -1.26 -4.73 121.20 119.13 1cbw s ILE 80 Ca 0.54 0.28 -0.23 0.00 -0.26 0.00 0.00 60.65 60.97 1cbw s ILE 80 Cb 0.15 -3.51 -0.06 0.00 1.25 0.00 0.00 42.46 40.29 1cbw s ILE 80 CO -0.07 0.43 0.69 -1.10 0.24 0.00 0.00 174.94 175.14 1cbw s GLN 81 N 0.36 4.42 -0.61 0.37 -0.21 0.12 -4.95 119.66 119.16 1cbw s GLN 81 Ca 0.10 0.95 0.04 0.00 0.02 0.00 0.00 55.36 56.47 1cbw s GLN 81 Cb -0.11 -3.32 0.16 0.00 1.00 0.00 0.00 33.01 30.73 1cbw s GLN 81 CO -0.00 0.40 0.40 0.21 -2.12 0.00 0.00 175.29 174.18 1cbw s LYS 82 N -0.42 2.07 0.71 2.91 2.36 -1.26 -0.85 119.74 125.26 1cbw s LYS 82 Ca 0.35 -2.92 -0.11 0.00 -2.55 0.00 0.00 55.97 50.74 1cbw s LYS 82 Cb -0.20 -3.08 0.02 0.00 -1.05 0.00 0.00 37.83 33.52 1cbw s LYS 82 CO 0.21 -1.24 1.09 -0.51 1.55 0.00 0.00 175.35 176.44 1cbw s LEU 83 N -0.85 2.88 0.20 5.43 1.43 -0.00 -4.92 118.68 122.85 1cbw s LEU 83 Ca 0.23 1.03 0.09 0.00 -1.03 0.00 0.00 54.13 54.45 1cbw s LEU 83 Cb -0.11 -3.79 -0.04 0.00 0.03 0.00 0.00 46.19 42.28 1cbw s LEU 83 CO -0.11 -1.39 -0.10 -0.54 0.23 0.00 0.00 176.35 174.43 1cbw s LYS 84 N -5.35 2.02 -0.24 1.70 1.02 -1.26 -1.74 119.74 115.90 1cbw s LYS 84 Ca 0.58 -1.33 -0.16 0.00 0.02 0.00 0.00 55.97 55.08 1cbw s LYS 84 Cb -0.11 -2.11 -0.04 0.00 -0.52 0.00 0.00 37.83 35.05 1cbw s LYS 84 CO 0.51 0.42 0.42 0.42 -0.92 0.00 0.00 175.35 176.20 1cbw s ILE 85 N -1.81 5.16 -0.17 2.17 1.01 -1.26 -0.24 121.20 126.07 1cbw s ILE 85 Ca 0.25 0.71 -0.21 0.00 0.00 0.00 0.00 60.65 61.41 1cbw s ILE 85 Cb -0.08 -3.75 -0.18 0.00 0.01 0.00 0.00 42.46 38.46 1cbw s ILE 85 CO 0.15 0.18 0.34 0.00 0.00 0.00 0.00 174.94 175.61 1cbw h ALA 86 N 7.77 0.12 -3.57 9.38 0.00 -0.57 -3.43 119.26 128.96 1cbw h ALA 86 Ca -0.33 -0.76 -0.30 0.00 0.00 0.00 0.00 54.91 53.51 1cbw h ALA 86 Cb 1.16 0.38 -0.33 0.00 0.00 0.00 0.00 17.79 19.00 1cbw h ALA 86 CO 0.69 0.37 -0.74 0.15 0.00 0.00 0.00 179.25 179.73 1cbw s LYS 87 N -2.22 0.10 -0.31 0.00 1.02 -1.05 -4.92 119.74 112.37 1cbw s LYS 87 Ca -0.21 0.10 -0.09 0.00 0.02 0.00 0.00 55.97 55.79 1cbw s LYS 87 Cb 0.02 -0.29 -0.01 0.00 -0.52 0.00 0.00 37.83 37.02 1cbw s LYS 87 CO 0.52 -0.12 0.14 0.08 -0.92 0.00 0.00 175.35 175.06 1cbw s VAL 88 N 0.82 4.57 -0.69 3.17 1.01 -1.26 0.05 120.40 128.07 1cbw s VAL 88 Ca -0.07 -0.40 -0.13 0.00 0.00 0.00 0.00 61.98 61.37 1cbw s VAL 88 Cb -0.11 -3.32 0.18 0.00 0.00 0.00 0.00 36.38 33.14 1cbw s VAL 88 CO -0.02 0.09 0.61 -0.36 0.00 0.00 0.00 175.10 175.42 1cbw s PHE 89 N 1.61 3.55 0.09 5.22 0.40 0.62 -5.01 117.98 124.46 1cbw s PHE 89 Ca 0.05 -1.88 -0.30 0.00 -0.60 0.00 0.00 56.93 54.20 1cbw s PHE 89 Cb -0.17 -3.71 -0.05 0.00 0.51 0.00 0.00 43.02 39.60 1cbw s PHE 89 CO 0.06 -0.98 0.97 0.21 0.70 0.00 0.00 175.22 176.17 1cbw s LYS 90 N 0.65 4.67 -0.00 0.44 2.20 -1.26 -1.97 119.74 124.46 1cbw s LYS 90 Ca 0.12 1.44 -0.30 0.00 -0.36 0.00 0.00 55.97 56.88 1cbw s LYS 90 Cb -0.18 -3.40 -0.07 0.00 -1.51 0.00 0.00 37.83 32.67 1cbw s LYS 90 CO -0.04 0.16 1.70 1.21 -0.36 0.00 0.00 175.35 178.01 1cbw s ASN 91 N 0.22 6.62 0.49 1.43 2.47 -0.90 -4.86 114.94 120.41 1cbw s ASN 91 Ca 0.48 2.38 0.27 0.00 0.42 0.00 0.00 52.86 56.41 1cbw s ASN 91 Cb -0.23 -2.54 1.35 0.00 -1.45 0.00 0.00 41.25 38.38 1cbw s ASN 91 CO 0.29 -0.93 1.87 0.77 -3.72 0.00 0.00 177.10 175.38 1cbw h SER 92 N 9.33 0.15 -0.06 -4.21 4.64 -1.91 -1.63 113.55 119.85 1cbw h SER 92 Ca -0.42 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 60.92 1cbw h SER 92 Cb 1.19 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 1cbw h SER 92 CO 0.94 0.05 0.00 0.29 -0.87 0.00 0.00 176.83 177.24 1cbw n LYS 93 N -4.36 1.57 -1.92 4.77 5.02 -1.26 -4.93 118.16 117.05 1cbw n LYS 93 Ca 0.20 -0.84 -0.40 0.00 -2.02 0.00 0.00 58.31 55.25 1cbw n LYS 93 Cb 0.89 -1.44 0.01 0.00 -0.02 0.00 0.00 35.03 34.47 1cbw n LYS 93 CO 0.00 0.00 0.00 -0.47 -0.52 0.00 0.00 177.40 176.41 1cbw s TYR 94 N -1.93 2.62 -0.20 2.13 5.04 -0.61 -4.56 117.35 119.84 1cbw s TYR 94 Ca 0.37 1.33 -0.01 0.00 -2.44 0.00 0.00 57.07 56.32 1cbw s TYR 94 Cb 0.19 -3.81 0.01 0.00 0.35 0.00 0.00 41.96 38.71 1cbw s TYR 94 CO 0.31 -2.55 -0.15 1.21 -1.34 0.00 0.00 175.55 173.03 1cbw s ASN 95 N -0.61 3.54 0.29 4.32 3.84 0.83 -4.94 114.94 122.21 1cbw s ASN 95 Ca 0.59 -0.59 -0.00 0.00 0.21 0.00 0.00 52.86 53.07 1cbw s ASN 95 Cb -0.41 -1.56 0.49 0.00 -0.55 0.00 0.00 41.25 39.21 1cbw s ASN 95 CO 0.53 -0.01 1.92 0.28 -2.79 0.00 0.00 177.10 177.02 1cbw h SER 96 N 7.99 0.94 0.12 -4.21 0.02 -1.94 1.05 113.55 117.53 1cbw h SER 96 Ca -0.44 0.00 -0.35 0.00 -0.84 0.00 0.00 61.79 60.17 1cbw h SER 96 Cb 1.14 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 63.47 1cbw h SER 96 CO 0.62 0.62 -1.87 -0.07 -1.14 0.00 0.00 176.83 175.00 1cbw h LEU 97 N 1.08 0.39 0.00 5.07 3.38 -1.98 -3.38 115.31 119.87 1cbw h LEU 97 Ca 0.38 -0.90 0.00 0.00 0.09 0.00 0.00 57.88 57.45 1cbw h LEU 97 Cb 0.13 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1cbw h LEU 97 CO -0.13 1.80 -0.80 0.35 0.09 0.00 0.00 178.44 179.75 1cbw n THR 98 N -3.62 0.12 -1.43 0.22 -2.24 -1.18 -4.96 114.28 101.19 1cbw n THR 98 Ca -0.31 -0.14 -0.13 0.00 -2.27 0.00 0.00 64.05 61.20 1cbw n THR 98 Cb 1.00 0.27 -0.05 0.00 -2.10 0.00 0.00 70.33 69.45 1cbw n THR 98 CO 0.00 0.00 0.00 -0.38 -0.57 0.00 0.00 175.07 174.12 1cbw n ILE 99 N -1.78 -0.04 -2.95 2.28 5.41 0.36 -4.98 119.36 117.66 1cbw n ILE 99 Ca 0.03 0.00 -0.30 0.00 1.00 0.00 0.00 62.75 63.48 1cbw n ILE 99 Cb 0.39 -1.44 -0.03 0.00 -0.71 0.00 0.00 39.64 37.84 1cbw n ILE 99 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 176.55 176.76 1cbw s ASN 100 N -2.84 6.52 -1.34 4.38 2.47 -1.24 -4.15 114.94 118.75 1cbw s ASN 100 Ca 0.00 1.07 -0.03 0.00 0.42 0.00 0.00 52.86 54.32 1cbw s ASN 100 Cb 0.00 -2.29 0.02 0.00 -1.45 0.00 0.00 41.25 37.52 1cbw s ASN 100 CO 0.00 -0.36 0.79 0.59 -3.72 0.00 0.00 177.10 174.41 1cbw n ASN 101 N -1.19 -2.05 -4.12 -4.21 3.02 -1.26 -0.12 115.26 105.33 1cbw n ASN 101 Ca 0.02 -0.78 -0.43 0.00 -0.03 0.00 0.00 54.58 53.35 1cbw n ASN 101 Cb 0.54 -4.16 0.00 0.00 -0.61 0.00 0.00 39.78 35.55 1cbw n ASN 101 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1cbw n ASP 102 N -3.02 4.80 -3.94 6.41 2.03 -1.26 -3.23 116.55 118.34 1cbw n ASP 102 Ca -0.23 -2.98 -0.10 0.00 0.52 0.00 0.00 54.79 52.01 1cbw n ASP 102 Cb 0.65 -1.60 -0.10 0.00 -0.72 0.00 0.00 41.12 39.35 1cbw n ASP 102 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 1cbw s ILE 103 N 2.09 0.12 -0.26 5.18 2.07 -1.26 -3.50 121.20 125.65 1cbw s ILE 103 Ca 0.45 -1.03 -0.13 0.00 -1.41 0.00 0.00 60.65 58.53 1cbw s ILE 103 Cb 0.07 -0.73 0.09 0.00 0.13 0.00 0.00 42.46 42.01 1cbw s ILE 103 CO -0.00 -0.57 0.62 -0.89 -1.91 0.00 0.00 174.94 172.19 1cbw s THR 104 N -2.25 -0.28 0.12 4.00 2.01 0.25 -2.11 115.64 117.37 1cbw s THR 104 Ca -0.08 0.03 -0.04 0.00 0.31 0.00 0.00 61.69 61.91 1cbw s THR 104 Cb -0.03 -0.92 -0.05 0.00 0.01 0.00 0.00 72.50 71.51 1cbw s THR 104 CO -0.03 0.01 0.33 -0.76 -0.69 0.00 0.00 174.62 173.48 1cbw s LEU 105 N 1.96 4.29 -0.15 4.42 1.43 -0.83 -1.01 118.68 128.79 1cbw s LEU 105 Ca -0.08 0.51 0.00 0.00 -1.03 0.00 0.00 54.13 53.53 1cbw s LEU 105 Cb -0.08 -3.19 0.02 0.00 0.03 0.00 0.00 46.19 42.97 1cbw s LEU 105 CO -0.18 0.09 -0.14 -0.76 0.23 0.00 0.00 176.35 175.59 1cbw s LEU 106 N -2.57 1.75 -0.32 1.79 1.43 -0.14 -0.28 118.68 120.34 1cbw s LEU 106 Ca 0.39 -0.52 -0.22 0.00 -1.03 0.00 0.00 54.13 52.75 1cbw s LEU 106 Cb -0.12 -1.20 -0.00 0.00 0.03 0.00 0.00 46.19 44.89 1cbw s LEU 106 CO 0.25 -0.06 0.70 -0.75 0.23 0.00 0.00 176.35 176.72 1cbw s LYS 107 N 1.47 3.86 0.13 1.70 2.20 0.11 -2.45 119.74 126.75 1cbw s LYS 107 Ca 0.05 0.34 -0.31 0.00 -0.36 0.00 0.00 55.97 55.68 1cbw s LYS 107 Cb -0.13 -3.75 -0.09 0.00 -1.51 0.00 0.00 37.83 32.35 1cbw s LYS 107 CO -0.11 -0.67 1.46 -0.51 -0.36 0.00 0.00 175.35 175.16 1cbw s LEU 108 N 2.80 4.37 0.36 5.43 1.43 0.86 0.13 118.68 134.05 1cbw s LEU 108 Ca 0.28 2.43 0.08 0.00 -1.03 0.00 0.00 54.13 55.89 1cbw s LEU 108 Cb -0.14 -3.59 0.68 0.00 0.03 0.00 0.00 46.19 43.17 1cbw s LEU 108 CO 0.13 -0.72 1.86 -1.28 0.23 0.00 0.00 176.35 176.57 1cbw h SER 109 N 6.88 0.27 -3.02 2.29 0.87 -0.89 -3.41 113.55 116.54 1cbw h SER 109 Ca -0.42 -0.07 -0.47 0.00 -1.23 0.00 0.00 61.79 59.61 1cbw h SER 109 Cb 1.21 -0.07 -0.41 0.00 -0.44 0.00 0.00 62.40 62.68 1cbw h SER 109 CO 0.89 0.47 -0.75 0.42 -0.53 0.00 0.00 176.83 177.32 1cbw s THR 110 N -4.64 -0.09 0.44 2.23 -4.23 -1.26 -4.97 115.64 103.14 1cbw s THR 110 Ca -0.06 -0.21 -0.21 0.00 -1.18 0.00 0.00 61.69 60.03 1cbw s THR 110 Cb 0.15 -0.61 -0.13 0.00 1.34 0.00 0.00 72.50 73.26 1cbw s THR 110 CO 0.75 -0.32 0.43 0.00 -0.54 0.00 0.00 174.62 174.94 1cbw n ALA 111 N 5.28 -1.78 -1.79 3.99 0.00 -1.26 -4.71 120.51 120.24 1cbw n ALA 111 Ca -0.07 0.12 -0.36 0.00 0.00 0.00 0.00 53.44 53.13 1cbw n ALA 111 Cb 0.48 -1.71 -0.06 0.00 0.00 0.00 0.00 19.45 18.16 1cbw n ALA 111 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1cbw s ALA 112 N -1.57 3.13 -0.42 0.00 0.00 0.17 -4.99 121.76 118.08 1cbw s ALA 112 Ca 0.63 0.54 -0.20 0.00 0.00 0.00 0.00 51.96 52.93 1cbw s ALA 112 Cb -0.58 -3.20 0.02 0.00 0.00 0.00 0.00 23.12 19.36 1cbw s ALA 112 CO 0.59 0.05 0.63 -1.12 0.00 0.00 0.00 175.76 175.91 1cbw s SER 113 N -1.74 6.33 -0.12 0.00 0.01 -1.26 -4.75 113.70 112.17 1cbw s SER 113 Ca 0.55 -0.27 -0.29 0.00 1.31 0.00 0.00 55.95 57.25 1cbw s SER 113 Cb -0.17 -2.31 -0.04 0.00 0.21 0.00 0.00 66.02 63.71 1cbw s SER 113 CO 0.22 -0.73 1.55 -0.36 0.41 0.00 0.00 173.24 174.34 1cbw s PHE 114 N 2.75 2.21 0.00 2.43 0.40 -1.26 -4.74 117.98 119.77 1cbw s PHE 114 Ca 0.22 0.46 0.00 0.00 -0.60 0.00 0.00 56.93 57.02 1cbw s PHE 114 Cb -0.14 -3.83 0.00 0.00 0.51 0.00 0.00 43.02 39.55 1cbw s PHE 114 CO 0.18 -3.14 0.00 -1.13 0.70 0.00 0.00 175.22 171.83 1cbw n SER 115 N 7.32 0.60 -1.36 1.36 3.41 -0.92 -4.93 113.62 119.10 1cbw n SER 115 Ca 0.17 0.00 0.12 0.00 -0.26 0.00 0.00 58.87 58.90 1cbw n SER 115 Cb 0.44 0.00 0.32 0.00 -0.26 0.00 0.00 64.21 64.71 1cbw n SER 115 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1cbw n GLN 116 N 0.00 2.71 0.00 4.33 10.64 -1.26 -3.72 117.38 130.07 1cbw n GLN 116 Ca 0.00 -2.65 0.00 0.00 -1.83 0.00 0.00 57.00 52.52 1cbw n GLN 116 Cb 0.00 -1.57 0.00 0.00 -0.86 0.00 0.00 30.24 27.81 1cbw n GLN 116 CO 0.00 0.00 0.00 0.25 -1.83 0.00 0.00 177.06 175.48 1cbw n THR 117 N 1.67 0.00 -3.39 -0.39 -2.24 -1.26 -4.84 114.28 103.83 1cbw n THR 117 Ca 0.25 -0.30 -0.26 0.00 -2.27 0.00 0.00 64.05 61.46 1cbw n THR 117 Cb 0.63 1.29 -0.09 0.00 -2.10 0.00 0.00 70.33 70.06 1cbw n THR 117 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 1cbw n VAL 118 N -0.16 0.13 -1.58 2.28 0.31 -1.24 -4.26 118.33 113.81 1cbw n VAL 118 Ca 0.00 -4.23 0.00 0.00 -0.01 0.00 0.00 64.34 60.10 1cbw n VAL 118 Cb 0.07 -1.94 0.00 0.00 -0.91 0.00 0.00 33.84 31.06 1cbw n VAL 118 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1cbw n SER 119 N 1.74 0.00 -3.91 4.52 2.88 -1.02 -2.17 113.62 115.65 1cbw n SER 119 Ca 0.25 0.00 -0.10 0.00 -1.33 0.00 0.00 58.87 57.69 1cbw n SER 119 Cb 0.47 0.00 -0.11 0.00 -0.75 0.00 0.00 64.21 63.82 1cbw n SER 119 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1cbw s ALA 120 N -2.42 -0.10 0.42 -1.46 0.00 -1.26 -4.22 121.76 112.72 1cbw s ALA 120 Ca 0.00 -0.26 -0.02 0.00 0.00 0.00 0.00 51.96 51.68 1cbw s ALA 120 Cb 0.00 0.08 -0.03 0.00 0.00 0.00 0.00 23.12 23.17 1cbw s ALA 120 CO 0.00 -0.15 0.67 0.54 0.00 0.00 0.00 175.76 176.82 1cbw s VAL 121 N -1.12 4.84 -0.15 0.00 0.11 0.28 -4.89 120.40 119.47 1cbw s VAL 121 Ca -0.12 -0.19 -0.18 0.00 -2.93 0.00 0.00 61.98 58.55 1cbw s VAL 121 Cb -0.07 -3.80 -0.04 0.00 -1.53 0.00 0.00 36.38 30.94 1cbw s VAL 121 CO 0.00 -0.64 0.50 0.00 -3.33 0.00 0.00 175.10 171.63 1cbw s LEU 123 N 1.00 4.57 1.08 0.00 1.43 -1.26 -5.04 118.68 120.47 1cbw s LEU 123 Ca 0.26 1.98 -0.17 0.00 -1.03 0.00 0.00 54.13 55.17 1cbw s LEU 123 Cb -0.15 -3.61 0.24 0.00 0.03 0.00 0.00 46.19 42.70 1cbw s LEU 123 CO 0.10 0.00 1.17 -2.16 0.23 0.00 0.00 176.35 175.69 1cbw s PRO 124 N -0.82 -0.28 0.02 1.29 0.04 -1.26 -5.02 135.00 128.97 1cbw s PRO 124 Ca 0.44 -0.07 -0.02 0.00 0.04 0.00 0.00 61.00 61.40 1cbw s PRO 124 Cb -0.27 -1.71 -0.04 0.00 0.04 0.00 0.00 34.50 32.52 1cbw s PRO 124 CO 0.33 -3.08 0.19 -1.54 0.04 0.00 0.00 177.00 172.94 1cbw s SER 125 N -4.15 6.35 0.56 6.66 1.04 -1.26 -4.94 113.70 117.96 1cbw s SER 125 Ca 0.70 0.32 0.29 0.00 0.48 0.00 0.00 55.95 57.73 1cbw s SER 125 Cb -0.09 -1.98 1.47 0.00 0.10 0.00 0.00 66.02 65.51 1cbw s SER 125 CO 0.55 0.23 1.93 0.00 0.98 0.00 0.00 173.24 176.93 1cbw h ALA 126 N 3.56 2.41 0.00 5.32 0.00 -2.07 0.27 119.26 128.76 1cbw h ALA 126 Ca -0.48 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.38 1cbw h ALA 126 Cb 1.18 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.00 1cbw h ALA 126 CO 0.71 -0.77 -0.17 0.77 0.00 0.00 0.00 179.25 179.79 1cbw h SER 127 N 0.00 0.00 -4.10 0.00 0.02 -2.03 -3.47 113.55 103.97 1cbw h SER 127 Ca 0.27 0.00 -0.54 0.00 -0.84 0.00 0.00 61.79 60.68 1cbw h SER 127 Cb 1.22 0.00 0.13 0.00 0.14 0.00 0.00 62.40 63.90 1cbw h SER 127 CO -0.00 0.17 0.50 -1.81 -1.14 0.00 0.00 176.83 174.55 1cbw s ASP 128 N -6.14 4.97 -0.30 3.07 1.01 0.95 -5.05 116.67 115.18 1cbw s ASP 128 Ca 0.03 2.53 -0.03 0.00 0.71 0.00 0.00 52.55 55.79 1cbw s ASP 128 Cb 0.08 -2.61 0.10 0.00 1.01 0.00 0.00 42.92 41.50 1cbw s ASP 128 CO 0.64 -1.75 0.12 -0.62 0.21 0.00 0.00 175.17 173.77 1cbw s ASP 129 N -1.44 3.67 -0.61 0.27 2.15 -1.26 -4.93 116.67 114.52 1cbw s ASP 129 Ca 0.79 -1.44 -0.25 0.00 0.43 0.00 0.00 52.55 52.08 1cbw s ASP 129 Cb -0.34 -0.51 0.05 0.00 -0.30 0.00 0.00 42.92 41.81 1cbw s ASP 129 CO 0.37 -0.43 1.03 -0.36 -0.17 0.00 0.00 175.17 175.61 1cbw s PHE 130 N 1.90 2.67 0.34 -5.34 0.40 -1.26 -4.99 117.98 111.70 1cbw s PHE 130 Ca 0.10 -0.09 -0.27 0.00 -0.60 0.00 0.00 56.93 56.07 1cbw s PHE 130 Cb -0.17 -4.26 -0.13 0.00 0.51 0.00 0.00 43.02 38.98 1cbw s PHE 130 CO -0.32 -1.56 1.02 0.00 0.70 0.00 0.00 175.22 175.07 1cbw n ALA 131 N 7.92 0.04 -2.27 5.36 0.00 -1.26 -4.90 120.51 125.40 1cbw n ALA 131 Ca 0.01 0.33 -0.42 0.00 0.00 0.00 0.00 53.44 53.36 1cbw n ALA 131 Cb 0.47 -2.06 -0.03 0.00 0.00 0.00 0.00 19.45 17.84 1cbw n ALA 131 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1cbw s ALA 132 N -1.15 3.56 0.00 0.00 0.00 -1.26 -2.40 121.76 120.51 1cbw s ALA 132 Ca 0.60 0.84 0.00 0.00 0.00 0.00 0.00 51.96 53.40 1cbw s ALA 132 Cb -0.63 -3.57 0.00 0.00 0.00 0.00 0.00 23.12 18.91 1cbw s ALA 132 CO 0.59 -0.86 0.00 0.41 0.00 0.00 0.00 175.76 175.91 1cbw n GLY 133 N 3.57 1.27 3.64 0.00 0.00 -1.26 -5.08 105.19 107.34 1cbw n GLY 133 Ca 0.12 0.00 -0.48 0.00 0.00 0.00 0.00 46.02 45.67 1cbw n GLY 133 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1cbw n THR 134 N 0.00 0.04 -2.90 2.61 -1.04 -1.01 -4.87 114.28 107.11 1cbw n THR 134 Ca 0.00 -0.01 -0.43 0.00 -2.04 0.00 0.00 64.05 61.57 1cbw n THR 134 Cb 0.00 -1.30 -0.05 0.00 -1.82 0.00 0.00 70.33 67.16 1cbw n THR 134 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 1cbw s THR 135 N 0.73 4.51 0.44 12.58 2.01 -1.26 -5.01 115.64 129.64 1cbw s THR 135 Ca 0.80 0.30 0.06 0.00 0.31 0.00 0.00 61.69 63.16 1cbw s THR 135 Cb -0.77 -4.45 0.06 0.00 0.01 0.00 0.00 72.50 67.35 1cbw s THR 135 CO 0.41 -0.95 0.48 0.00 -0.69 0.00 0.00 174.62 173.87 1cbw s VAL 137 N -1.94 0.69 0.08 0.00 1.01 -1.26 -5.15 120.40 113.84 1cbw s VAL 137 Ca 0.37 -1.02 0.06 0.00 0.00 0.00 0.00 61.98 61.39 1cbw s VAL 137 Cb -0.03 -0.71 -0.03 0.00 0.00 0.00 0.00 36.38 35.61 1cbw s VAL 137 CO 0.23 -0.26 -0.17 0.28 0.00 0.00 0.00 175.10 175.19 1cbw s THR 138 N -1.16 1.36 0.27 3.92 -1.32 -1.26 -5.16 115.64 112.27 1cbw s THR 138 Ca -0.06 -1.40 0.02 0.00 -1.21 0.00 0.00 61.69 59.03 1cbw s THR 138 Cb -0.09 -1.27 -0.04 0.00 -1.51 0.00 0.00 72.50 69.59 1cbw s THR 138 CO 0.01 -0.16 0.13 0.42 -2.21 0.00 0.00 174.62 172.81 1cbw s THR 139 N -1.23 0.38 0.00 5.08 -4.23 -1.26 -5.10 115.64 109.29 1cbw s THR 139 Ca 0.01 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.52 1cbw s THR 139 Cb -0.10 -2.57 0.00 0.00 1.34 0.00 0.00 72.50 71.17 1cbw s THR 139 CO 0.03 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.72 1cbw n GLY 140 N -0.48 1.98 1.45 3.99 0.00 -1.26 -4.96 105.19 105.92 1cbw n GLY 140 Ca 0.01 -1.38 -0.10 0.00 0.00 0.00 0.00 46.02 44.55 1cbw n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1cbw n TRP 141 N -1.37 1.61 -2.00 1.61 8.01 -1.26 -4.59 117.44 119.45 1cbw n TRP 141 Ca 0.00 -1.72 -0.29 0.00 -1.31 0.00 0.00 57.50 54.18 1cbw n TRP 141 Cb 0.00 -0.62 0.04 0.00 -2.01 0.00 0.00 31.31 28.72 1cbw n TRP 141 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.69 176.88 1cbw s GLY 142 N -2.28 1.62 0.25 6.99 0.00 -1.26 -4.86 107.32 107.78 1cbw s GLY 142 Ca 0.48 -0.40 -0.18 0.00 0.00 0.00 0.00 44.72 44.62 1cbw s GLY 142 CO 0.02 -0.06 0.19 1.04 0.00 0.00 0.00 173.10 174.29 1cbw n LEU 143 N -2.89 -1.74 -0.40 0.66 4.77 -1.26 -1.49 117.00 114.64 1cbw n LEU 143 Ca 0.06 0.71 0.11 0.00 -0.03 0.00 0.00 56.01 56.86 1cbw n LEU 143 Cb 0.57 -0.69 0.02 0.00 -2.33 0.00 0.00 43.42 40.99 1cbw n LEU 143 CO 0.57 -2.87 0.29 0.35 -1.33 0.00 0.00 177.39 174.40 1cbw n THR 144 N -0.49 0.00 -3.63 -5.08 -2.24 -1.26 -1.34 114.28 100.24 1cbw n THR 144 Ca 0.10 -0.21 -0.13 0.00 -2.27 0.00 0.00 64.05 61.54 1cbw n THR 144 Cb 0.26 1.13 -0.07 0.00 -2.10 0.00 0.00 70.33 69.55 1cbw n THR 144 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 1cbw s ARG 145 N -2.55 0.80 0.00 -0.78 3.52 -1.26 -4.26 118.95 114.41 1cbw s ARG 145 Ca 0.18 0.90 0.21 0.00 -0.13 0.00 0.00 55.73 56.88 1cbw s ARG 145 Cb 0.18 0.39 1.25 0.00 -1.56 0.00 0.00 34.95 35.21 1cbw s ARG 145 CO 0.61 -0.11 1.63 0.98 -0.81 0.00 0.00 175.30 177.60