#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 3.54 -0.89 1.39 1.01 -1.24 -3.16 120.40 121.04 1cbw s VAL 17 Ca 0.00 -0.45 -0.02 0.00 0.00 0.00 0.00 61.98 61.51 1cbw s VAL 17 Cb 0.00 -2.59 0.00 0.00 0.00 0.00 0.00 36.38 33.80 1cbw s VAL 17 CO 0.00 0.45 0.29 -3.20 0.00 0.00 0.00 175.10 172.63 1cbw n ASN 18 N 4.32 -4.05 -2.52 3.32 5.15 -1.22 -5.02 115.26 115.23 1cbw n ASN 18 Ca -0.18 -0.14 0.00 0.00 -0.60 0.00 0.00 54.58 53.67 1cbw n ASN 18 Cb 0.52 -2.99 0.00 0.00 -0.53 0.00 0.00 39.78 36.77 1cbw n ASN 18 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1cbw n GLY 19 N -1.16 0.89 3.25 8.20 0.00 -1.26 -5.13 105.19 109.98 1cbw n GLY 19 Ca -0.08 -1.57 -0.13 0.00 0.00 0.00 0.00 46.02 44.24 1cbw n GLY 19 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1cbw s GLU 20 N 0.62 0.67 0.21 1.61 2.12 -1.26 -5.14 118.70 117.53 1cbw s GLU 20 Ca 0.00 -0.14 -0.30 0.00 0.36 0.00 0.00 54.97 54.89 1cbw s GLU 20 Cb 0.00 0.30 -0.08 0.00 0.26 0.00 0.00 34.13 34.61 1cbw s GLU 20 CO 0.00 -0.18 1.05 -2.00 -0.54 0.00 0.00 175.26 173.59 1cbw s GLU 21 N -1.25 4.68 0.52 4.30 2.12 -1.26 -5.02 118.70 122.79 1cbw s GLU 21 Ca -0.13 1.66 -0.11 0.00 0.36 0.00 0.00 54.97 56.75 1cbw s GLU 21 Cb -0.05 -3.26 -0.05 0.00 0.26 0.00 0.00 34.13 31.02 1cbw s GLU 21 CO 0.04 0.23 0.91 0.00 -0.54 0.00 0.00 175.26 175.91 1cbw s ALA 22 N -0.70 3.21 -0.15 6.30 0.00 -1.26 -5.02 121.76 124.15 1cbw s ALA 22 Ca 0.46 -0.13 -0.29 0.00 0.00 0.00 0.00 51.96 51.99 1cbw s ALA 22 Cb -0.29 -2.91 -0.01 0.00 0.00 0.00 0.00 23.12 19.92 1cbw s ALA 22 CO 0.35 -0.36 1.11 0.08 0.00 0.00 0.00 175.76 176.95 1cbw s VAL 23 N -2.78 4.53 0.10 0.00 1.01 -1.26 -4.94 120.40 117.07 1cbw s VAL 23 Ca 0.54 1.84 -0.33 0.00 0.00 0.00 0.00 61.98 64.02 1cbw s VAL 23 Cb -0.10 -4.18 -0.18 0.00 0.00 0.00 0.00 36.38 31.91 1cbw s VAL 23 CO 0.42 -0.09 0.78 -2.65 0.00 0.00 0.00 175.10 173.56 1cbw n PRO 24 N 5.82 0.00 -0.91 2.72 -0.02 -1.26 -1.44 135.00 139.91 1cbw n PRO 24 Ca 0.11 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.59 1cbw n PRO 24 Cb 0.46 -1.23 0.00 0.00 -0.02 0.00 0.00 33.50 32.71 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 1.74 0.15 0.03 -1.23 0.00 -1.26 -4.86 105.19 99.76 1cbw n GLY 25 Ca 0.19 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.35 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 -0.58 0.16 -3.26 1.61 3.41 -0.52 -3.81 113.62 110.63 1cbw n SER 26 Ca 0.00 -0.15 -0.25 0.00 -0.26 0.00 0.00 58.87 58.22 1cbw n SER 26 Cb 0.29 -0.23 -0.07 0.00 -0.26 0.00 0.00 64.21 63.94 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 -1.25 1.38 0.10 7.33 7.02 -1.26 -4.98 117.44 125.77 1cbw n TRP 27 Ca 0.12 -3.82 0.16 0.00 -1.02 0.00 0.00 57.50 52.94 1cbw n TRP 27 Cb 0.28 -0.44 0.68 0.00 -2.42 0.00 0.00 31.31 29.41 1cbw n TRP 27 CO 0.00 0.00 0.00 -1.00 -2.02 0.00 0.00 177.69 174.67 1cbw h PRO 28 N 3.92 0.00 0.00 -0.99 0.13 -1.81 -2.80 132.00 130.45 1cbw h PRO 28 Ca 0.12 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.21 1cbw h PRO 28 Cb 0.79 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.91 1cbw h PRO 28 CO 0.62 0.00 -0.19 0.11 -0.23 0.00 0.00 178.00 178.31 1cbw h TRP 29 N 0.00 0.00 -2.76 1.56 0.09 -1.86 -3.33 115.95 109.65 1cbw h TRP 29 Ca 0.16 0.00 -0.56 0.00 0.09 0.00 0.00 58.89 58.58 1cbw h TRP 29 Cb 0.66 0.00 -0.03 0.00 0.08 0.00 0.00 29.16 29.88 1cbw h TRP 29 CO 0.00 0.19 1.10 -1.14 0.09 0.00 0.00 178.44 178.69 1cbw s GLN 30 N -3.82 3.87 0.44 0.12 2.00 -1.06 0.40 119.66 121.62 1cbw s GLN 30 Ca -0.01 1.72 0.06 0.00 -2.00 0.00 0.00 55.36 55.13 1cbw s GLN 30 Cb 0.11 -4.01 0.06 0.00 0.80 0.00 0.00 33.01 29.97 1cbw s GLN 30 CO 0.62 -1.20 0.50 1.33 -0.50 0.00 0.00 175.29 176.04 1cbw n VAL 31 N 6.22 0.00 -3.63 1.34 0.24 0.45 -4.51 118.33 118.45 1cbw n VAL 31 Ca 0.18 -1.60 -0.24 0.00 -2.04 0.00 0.00 64.34 60.65 1cbw n VAL 31 Cb 0.45 -0.41 -0.17 0.00 -1.47 0.00 0.00 33.84 32.23 1cbw n VAL 31 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 1cbw s SER 32 N -3.69 1.90 -0.10 -1.34 0.15 -1.11 -3.34 113.70 106.16 1cbw s SER 32 Ca 0.38 -0.36 -0.30 0.00 0.70 0.00 0.00 55.95 56.37 1cbw s SER 32 Cb -0.03 -0.18 -0.01 0.00 -1.71 0.00 0.00 66.02 64.09 1cbw s SER 32 CO 0.24 -0.32 1.01 -0.76 1.20 0.00 0.00 173.24 174.61 1cbw s LEU 33 N 2.16 4.25 0.07 3.45 1.43 -0.32 -2.23 118.68 127.50 1cbw s LEU 33 Ca 0.03 1.54 0.03 0.00 -1.03 0.00 0.00 54.13 54.70 1cbw s LEU 33 Cb -0.15 -3.56 -0.03 0.00 0.03 0.00 0.00 46.19 42.49 1cbw s LEU 33 CO -0.07 -0.44 -0.09 -1.10 0.23 0.00 0.00 176.35 174.89 1cbw s GLN 34 N 1.96 0.72 0.79 1.70 -0.21 -0.44 -2.27 119.66 121.91 1cbw s GLN 34 Ca 0.49 -1.03 -0.07 0.00 0.02 0.00 0.00 55.36 54.77 1cbw s GLN 34 Cb -0.18 -0.38 0.13 0.00 1.00 0.00 0.00 33.01 33.58 1cbw s GLN 34 CO 0.18 0.05 1.10 0.16 -2.12 0.00 0.00 175.29 174.67 1cbw s ASP 35 N -2.19 4.06 0.00 5.90 1.47 -0.43 0.00 116.67 125.49 1cbw s ASP 35 Ca 0.00 0.02 0.01 0.00 1.18 0.00 0.00 52.55 53.76 1cbw s ASP 35 Cb -0.04 -0.35 0.06 0.00 -0.34 0.00 0.00 42.92 42.24 1cbw s ASP 35 CO -0.01 -2.07 0.94 2.29 0.68 0.00 0.00 175.17 177.00 1cbw n LYS 36 N -3.14 0.01 -0.03 2.11 2.85 -1.26 -0.38 118.16 118.32 1cbw n LYS 36 Ca 0.13 0.38 0.10 0.00 -1.05 0.00 0.00 58.31 57.88 1cbw n LYS 36 Cb 0.60 -1.50 0.10 0.00 -0.65 0.00 0.00 35.03 33.58 1cbw n LYS 36 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 177.40 177.60 1cbw n THR 37 N -1.40 0.08 0.00 0.58 -2.24 -1.26 -4.96 114.28 105.08 1cbw n THR 37 Ca 0.00 -0.54 0.00 0.00 -2.27 0.00 0.00 64.05 61.24 1cbw n THR 37 Cb 0.01 1.35 0.00 0.00 -2.10 0.00 0.00 70.33 69.59 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 1.18 1.23 3.71 3.38 0.00 0.49 -5.04 105.19 110.14 1cbw n GLY 38 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.32 2.98 -0.23 1.61 5.36 -1.26 -4.68 117.98 119.45 1cbw s PHE 39 Ca 0.00 0.58 -0.23 0.00 -0.96 0.00 0.00 56.93 56.32 1cbw s PHE 39 Cb 0.00 -3.94 -0.01 0.00 -0.34 0.00 0.00 43.02 38.73 1cbw s PHE 39 CO 0.00 -3.50 0.76 -1.58 -1.46 0.00 0.00 175.22 169.44 1cbw s HIS 40 N 1.32 3.33 0.00 10.12 5.65 -1.26 -1.31 115.29 133.14 1cbw s HIS 40 Ca 0.71 1.06 0.00 0.00 0.25 0.00 0.00 55.06 57.08 1cbw s HIS 40 Cb -0.43 -2.97 0.00 0.00 -1.18 0.00 0.00 32.58 28.00 1cbw s HIS 40 CO 0.31 -0.33 0.00 1.97 -0.65 0.00 0.00 174.74 176.05 1cbw n PHE 41 N 5.68 0.00 -3.83 3.88 1.16 -0.96 -5.02 117.46 118.37 1cbw n PHE 41 Ca 0.03 0.00 -0.07 0.00 -1.87 0.00 0.00 57.45 55.55 1cbw n PHE 41 Cb 0.48 0.00 -0.01 0.00 -1.61 0.00 0.00 39.48 38.34 1cbw n PHE 41 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1cbw s GLY 43 N -2.97 2.38 0.00 0.00 0.00 -1.26 -1.17 107.32 104.30 1cbw s GLY 43 Ca 0.12 -1.48 -0.29 0.00 0.00 0.00 0.00 44.72 43.07 1cbw s GLY 43 CO 0.07 -1.92 1.04 -0.32 0.00 0.00 0.00 173.10 171.98 1cbw s GLY 44 N -4.14 -0.36 0.01 0.20 0.00 -1.21 -4.66 107.32 97.15 1cbw s GLY 44 Ca 0.36 0.82 0.05 0.00 0.00 0.00 0.00 44.72 45.95 1cbw s GLY 44 CO 0.21 0.24 -0.16 -0.56 0.00 0.00 0.00 173.10 172.83 1cbw s SER 45 N -2.64 1.89 -0.07 1.64 0.01 -0.67 -0.41 113.70 113.45 1cbw s SER 45 Ca 0.10 -0.35 -0.22 0.00 1.31 0.00 0.00 55.95 56.79 1cbw s SER 45 Cb -0.00 -0.18 -0.04 0.00 0.21 0.00 0.00 66.02 66.00 1cbw s SER 45 CO -0.04 0.16 0.62 -0.76 0.41 0.00 0.00 173.24 173.63 1cbw s LEU 46 N -0.63 4.32 -0.00 2.44 1.43 0.16 -0.41 118.68 125.99 1cbw s LEU 46 Ca 0.05 1.09 0.14 0.00 -1.03 0.00 0.00 54.13 54.37 1cbw s LEU 46 Cb -0.07 -2.95 -0.16 0.00 0.03 0.00 0.00 46.19 43.04 1cbw s LEU 46 CO 0.00 -0.05 0.53 2.30 0.23 0.00 0.00 176.35 179.36 1cbw n ILE 47 N 3.57 0.00 -3.34 -0.59 -5.35 -0.17 -0.91 119.36 112.57 1cbw n ILE 47 Ca -0.04 -0.20 0.00 0.00 -0.27 0.00 0.00 62.75 62.24 1cbw n ILE 47 Cb 0.51 0.86 0.00 0.00 -1.74 0.00 0.00 39.64 39.27 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 -1.43 0.00 0.00 7.28 0.23 -1.24 -4.64 115.26 115.46 1cbw n ASN 48 Ca 0.02 -0.47 0.14 0.00 -0.53 0.00 0.00 54.58 53.73 1cbw n ASN 48 Cb 0.24 0.00 0.65 0.00 -2.08 0.00 0.00 39.78 38.59 1cbw n ASN 48 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 1cbw n GLU 49 N 0.00 0.10 0.00 -3.83 4.71 -1.26 -3.88 120.64 116.48 1cbw n GLU 49 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.15 1cbw n GLU 49 Cb 0.00 -1.50 0.00 0.00 -1.01 0.00 0.00 31.44 28.93 1cbw n GLU 49 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 1cbw n ASN 50 N -1.45 0.52 -3.85 1.62 3.02 -1.26 -1.50 115.26 112.36 1cbw n ASN 50 Ca 0.09 -0.79 -0.22 0.00 -0.03 0.00 0.00 54.58 53.63 1cbw n ASN 50 Cb 0.31 0.27 -0.17 0.00 -0.61 0.00 0.00 39.78 39.59 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 -0.27 0.81 -0.11 3.10 0.52 -1.25 -0.19 118.94 121.56 1cbw s TRP 51 Ca 0.00 -0.26 -0.03 0.00 0.02 0.00 0.00 56.10 55.84 1cbw s TRP 51 Cb 0.00 -0.79 -0.03 0.00 -1.15 0.00 0.00 33.47 31.50 1cbw s TRP 51 CO 0.00 -0.28 -0.00 0.08 0.02 0.00 0.00 176.95 176.77 1cbw s VAL 52 N 1.38 4.26 -0.11 4.03 1.01 -0.94 -1.00 120.40 129.03 1cbw s VAL 52 Ca -0.04 -0.26 -0.02 0.00 0.00 0.00 0.00 61.98 61.66 1cbw s VAL 52 Cb -0.13 -2.81 -0.03 0.00 0.00 0.00 0.00 36.38 33.40 1cbw s VAL 52 CO -0.03 0.57 -0.01 0.54 0.00 0.00 0.00 175.10 176.17 1cbw s VAL 53 N -0.55 4.15 0.35 2.92 0.11 0.45 -0.75 120.40 127.08 1cbw s VAL 53 Ca 0.09 -0.29 -0.05 0.00 -2.93 0.00 0.00 61.98 58.80 1cbw s VAL 53 Cb -0.12 -2.77 0.01 0.00 -1.53 0.00 0.00 36.38 31.98 1cbw s VAL 53 CO 0.02 0.56 0.52 0.28 -3.33 0.00 0.00 175.10 173.16 1cbw s THR 54 N -0.44 0.00 0.24 5.04 -1.32 -0.16 -1.66 115.64 117.34 1cbw s THR 54 Ca 0.08 -1.50 -0.30 0.00 -1.21 0.00 0.00 61.69 58.75 1cbw s THR 54 Cb -0.12 -2.67 -0.09 0.00 -1.51 0.00 0.00 72.50 68.11 1cbw s THR 54 CO 0.02 0.00 0.95 0.00 -2.21 0.00 0.00 174.62 173.38 1cbw s ALA 55 N -2.95 3.34 0.38 11.08 0.00 -1.26 -0.19 121.76 132.17 1cbw s ALA 55 Ca 0.28 0.64 0.06 0.00 0.00 0.00 0.00 51.96 52.94 1cbw s ALA 55 Cb -0.01 -3.22 0.77 0.00 0.00 0.00 0.00 23.12 20.66 1cbw s ALA 55 CO 0.19 0.18 2.00 0.00 0.00 0.00 0.00 175.76 178.13 1cbw h ALA 56 N 4.16 1.60 0.00 0.00 0.00 -1.65 -1.88 119.26 121.50 1cbw h ALA 56 Ca -0.45 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.38 1cbw h ALA 56 Cb 1.20 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.82 1cbw h ALA 56 CO 0.68 0.33 0.00 -2.39 0.00 0.00 0.00 179.25 177.87 1cbw n HIS 57 N -4.42 0.82 0.26 0.00 1.44 -1.26 -2.56 115.22 109.51 1cbw n HIS 57 Ca 0.03 0.34 0.14 0.00 -2.01 0.00 0.00 57.72 56.22 1cbw n HIS 57 Cb 0.11 -1.05 0.68 0.00 0.12 0.00 0.00 29.99 29.85 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 -0.27 -0.20 3.76 0.00 0.00 -1.06 -4.96 105.19 102.47 1cbw n GLY 59 Ca -0.01 0.04 -0.35 0.00 0.00 0.00 0.00 46.02 45.70 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 -3.24 2.88 0.21 1.61 1.01 -1.26 -5.04 120.40 116.57 1cbw s VAL 60 Ca 0.44 0.54 -0.00 0.00 0.00 0.00 0.00 61.98 62.96 1cbw s VAL 60 Cb -0.20 -3.20 -0.04 0.00 0.00 0.00 0.00 36.38 32.94 1cbw s VAL 60 CO 0.55 -0.13 0.15 0.42 0.00 0.00 0.00 175.10 176.10 1cbw s THR 61 N -1.71 0.00 -1.25 3.92 -4.23 -1.26 -5.01 115.64 106.11 1cbw s THR 61 Ca 0.75 -1.99 0.08 0.00 -1.18 0.00 0.00 61.69 59.35 1cbw s THR 61 Cb -0.27 -2.50 0.11 0.00 1.34 0.00 0.00 72.50 71.19 1cbw s THR 61 CO 0.31 0.00 1.19 0.35 -0.54 0.00 0.00 174.62 175.93 1cbw n THR 62 N -0.31 1.09 0.60 3.99 -2.24 -1.26 -1.34 114.28 114.80 1cbw n THR 62 Ca 0.02 0.27 0.12 0.00 -2.27 0.00 0.00 64.05 62.20 1cbw n THR 62 Cb 0.66 -1.13 0.27 0.00 -2.10 0.00 0.00 70.33 68.03 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 -1.38 0.76 -4.13 3.42 7.64 -1.26 -4.52 113.62 114.14 1cbw n SER 63 Ca 0.03 0.32 -0.30 0.00 1.01 0.00 0.00 58.87 59.94 1cbw n SER 63 Cb 0.08 -0.26 0.19 0.00 -1.01 0.00 0.00 64.21 63.20 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 -4.36 3.13 -0.02 6.43 1.01 -0.45 -4.06 116.67 118.34 1cbw s ASP 64 Ca 0.08 0.22 0.01 0.00 0.71 0.00 0.00 52.55 53.57 1cbw s ASP 64 Cb 0.13 -0.26 0.01 0.00 1.01 0.00 0.00 42.92 43.81 1cbw s ASP 64 CO 0.67 -2.72 -0.02 -0.69 0.21 0.00 0.00 175.17 172.61 1cbw s VAL 65 N -3.87 0.27 0.04 -1.27 1.01 0.10 -4.25 120.40 112.43 1cbw s VAL 65 Ca 0.74 -0.05 -0.17 0.00 0.00 0.00 0.00 61.98 62.50 1cbw s VAL 65 Cb -0.04 -0.29 -0.06 0.00 0.00 0.00 0.00 36.38 35.99 1cbw s VAL 65 CO 0.53 0.12 0.49 -0.69 0.00 0.00 0.00 175.10 175.55 1cbw s VAL 66 N 0.48 4.88 -0.37 2.92 1.01 0.12 -1.32 120.40 128.12 1cbw s VAL 66 Ca -0.05 1.02 0.01 0.00 0.00 0.00 0.00 61.98 62.97 1cbw s VAL 66 Cb -0.08 -3.80 0.11 0.00 0.00 0.00 0.00 36.38 32.61 1cbw s VAL 66 CO -0.01 0.55 0.14 -0.69 0.00 0.00 0.00 175.10 175.10 1cbw s VAL 67 N -1.11 1.46 0.24 2.92 1.01 -0.95 0.13 120.40 124.10 1cbw s VAL 67 Ca 0.27 -2.10 -0.12 0.00 0.00 0.00 0.00 61.98 60.03 1cbw s VAL 67 Cb -0.18 -2.06 -0.08 0.00 0.00 0.00 0.00 36.38 34.06 1cbw s VAL 67 CO 0.16 -0.74 0.59 0.00 0.00 0.00 0.00 175.10 175.12 1cbw s ALA 68 N 0.93 3.51 0.00 5.51 0.00 0.40 -2.77 121.76 129.35 1cbw s ALA 68 Ca 0.13 -0.17 0.00 0.00 0.00 0.00 0.00 51.96 51.92 1cbw s ALA 68 Cb -0.21 -2.53 0.00 0.00 0.00 0.00 0.00 23.12 20.38 1cbw s ALA 68 CO -0.12 0.46 0.00 0.41 0.00 0.00 0.00 175.76 176.51 1cbw n GLY 69 N -0.01 0.90 3.61 0.00 0.00 -1.26 0.14 105.19 108.57 1cbw n GLY 69 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.68 -0.63 0.15 1.61 2.12 -1.26 -4.73 118.70 115.28 1cbw s GLU 70 Ca 0.00 0.23 0.00 0.00 0.36 0.00 0.00 54.97 55.56 1cbw s GLU 70 Cb 0.00 -1.64 0.00 0.00 0.26 0.00 0.00 34.13 32.75 1cbw s GLU 70 CO 0.00 -3.38 0.00 0.34 -0.54 0.00 0.00 175.26 171.68 1cbw n PHE 71 N -4.58 -2.72 -3.20 5.30 7.35 -1.26 -4.77 117.46 113.58 1cbw n PHE 71 Ca 0.09 0.52 -0.46 0.00 -0.76 0.00 0.00 57.45 56.84 1cbw n PHE 71 Cb 0.58 1.54 -0.03 0.00 0.35 0.00 0.00 39.48 41.92 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 -1.51 6.58 0.64 -2.13 -1.08 -1.26 -4.84 116.67 113.07 1cbw s ASP 72 Ca 0.00 -2.24 0.37 0.00 -0.52 0.00 0.00 52.55 50.15 1cbw s ASP 72 Cb 0.00 -2.27 2.07 0.00 -1.46 0.00 0.00 42.92 41.26 1cbw s ASP 72 CO 0.00 -0.81 2.25 1.56 0.52 0.00 0.00 175.17 178.69 1cbw h GLN 73 N 8.37 0.00 0.00 4.34 4.20 -2.01 -1.74 115.11 128.26 1cbw h GLN 73 Ca 0.01 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.72 1cbw h GLN 73 Cb 1.05 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.83 1cbw h GLN 73 CO 0.92 0.00 -0.45 0.41 -0.67 0.00 0.00 178.83 179.04 1cbw n GLY 74 N -1.21 -1.41 3.52 3.46 0.00 -1.26 -4.73 105.19 103.56 1cbw n GLY 74 Ca -0.02 -0.24 -0.41 0.00 0.00 0.00 0.00 46.02 45.35 1cbw n GLY 74 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1cbw s SER 75 N -3.77 6.12 0.20 1.61 1.04 -0.66 -4.93 113.70 113.32 1cbw s SER 75 Ca 0.09 -0.46 0.23 0.00 0.48 0.00 0.00 55.95 56.29 1cbw s SER 75 Cb 0.15 -2.17 0.91 0.00 0.10 0.00 0.00 66.02 65.01 1cbw s SER 75 CO 0.68 -0.34 1.70 -0.24 0.98 0.00 0.00 173.24 176.02 1cbw n SER 76 N 5.26 0.58 -2.73 7.02 2.88 -1.26 -3.90 113.62 121.46 1cbw n SER 76 Ca -0.11 0.62 -0.30 0.00 -1.33 0.00 0.00 58.87 57.76 1cbw n SER 76 Cb 0.49 -0.75 -0.05 0.00 -0.75 0.00 0.00 64.21 63.15 1cbw n SER 76 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1cbw n SER 77 N -2.11 6.84 -4.22 -3.46 3.41 -1.26 -4.91 113.62 107.91 1cbw n SER 77 Ca 0.03 -3.13 -0.26 0.00 -0.26 0.00 0.00 58.87 55.26 1cbw n SER 77 Cb 0.27 -1.29 -0.15 0.00 -0.26 0.00 0.00 64.21 62.79 1cbw n SER 77 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1cbw s GLU 78 N -1.31 1.50 -0.95 4.33 2.02 -1.25 -5.08 118.70 117.95 1cbw s GLU 78 Ca 0.58 -0.80 -0.19 0.00 0.02 0.00 0.00 54.97 54.59 1cbw s GLU 78 Cb 0.32 -1.51 0.13 0.00 0.10 0.00 0.00 34.13 33.17 1cbw s GLU 78 CO -0.17 0.40 1.16 0.15 0.02 0.00 0.00 175.26 176.82 1cbw s LYS 79 N -0.76 3.61 0.27 1.61 -0.14 -1.26 -4.98 119.74 118.10 1cbw s LYS 79 Ca 0.07 -1.74 0.08 0.00 -1.36 0.00 0.00 55.97 53.02 1cbw s LYS 79 Cb -0.08 -4.96 -0.04 0.00 -1.68 0.00 0.00 37.83 31.08 1cbw s LYS 79 CO 0.00 -1.81 0.15 0.96 -0.76 0.00 0.00 175.35 173.90 1cbw s ILE 80 N 2.82 4.00 -0.31 2.17 -4.36 -1.26 -4.81 121.20 119.45 1cbw s ILE 80 Ca 0.34 -1.55 0.00 0.00 -0.26 0.00 0.00 60.65 59.19 1cbw s ILE 80 Cb -0.04 -3.21 0.07 0.00 1.25 0.00 0.00 42.46 40.53 1cbw s ILE 80 CO -0.09 -0.32 0.01 -1.10 0.24 0.00 0.00 174.94 173.68 1cbw s GLN 81 N -3.82 2.15 0.24 0.37 -0.21 0.12 -4.99 119.66 113.52 1cbw s GLN 81 Ca 0.34 -1.48 -0.30 0.00 0.02 0.00 0.00 55.36 53.94 1cbw s GLN 81 Cb -0.07 -3.18 -0.09 0.00 1.00 0.00 0.00 33.01 30.68 1cbw s GLN 81 CO 0.24 -0.73 0.98 0.21 -2.12 0.00 0.00 175.29 173.87 1cbw s LYS 82 N 1.14 4.79 -0.01 2.91 2.20 -1.26 -0.45 119.74 129.06 1cbw s LYS 82 Ca -0.01 1.56 0.00 0.00 -0.36 0.00 0.00 55.97 57.16 1cbw s LYS 82 Cb -0.20 -3.27 0.02 0.00 -1.51 0.00 0.00 37.83 32.87 1cbw s LYS 82 CO -0.04 0.41 0.01 -0.51 -0.36 0.00 0.00 175.35 174.87 1cbw s LEU 83 N -1.11 1.48 0.14 5.43 1.43 0.36 -4.93 118.68 121.47 1cbw s LEU 83 Ca 0.43 0.01 -0.14 0.00 -1.03 0.00 0.00 54.13 53.40 1cbw s LEU 83 Cb -0.27 -0.07 -0.07 0.00 0.03 0.00 0.00 46.19 45.81 1cbw s LEU 83 CO 0.34 -0.07 0.53 -0.54 0.23 0.00 0.00 176.35 176.84 1cbw s LYS 84 N 0.61 3.95 -0.24 1.70 1.02 -1.26 0.13 119.74 125.64 1cbw s LYS 84 Ca -0.05 0.45 -0.18 0.00 0.02 0.00 0.00 55.97 56.20 1cbw s LYS 84 Cb -0.08 -2.93 -0.03 0.00 -0.52 0.00 0.00 37.83 34.28 1cbw s LYS 84 CO -0.02 0.48 0.54 0.42 -0.92 0.00 0.00 175.35 175.85 1cbw s ILE 85 N -1.47 5.06 -0.10 2.17 1.01 -1.26 -1.16 121.20 125.46 1cbw s ILE 85 Ca 0.37 0.95 -0.07 0.00 0.00 0.00 0.00 60.65 61.91 1cbw s ILE 85 Cb -0.15 -3.85 -0.05 0.00 0.01 0.00 0.00 42.46 38.42 1cbw s ILE 85 CO 0.19 0.10 0.22 0.00 0.00 0.00 0.00 174.94 175.45 1cbw h ALA 86 N 7.83 -0.06 -2.68 9.38 0.00 -0.16 -3.42 119.26 130.14 1cbw h ALA 86 Ca -0.30 -0.10 -0.32 0.00 0.00 0.00 0.00 54.91 54.20 1cbw h ALA 86 Cb 1.14 0.02 -0.17 0.00 0.00 0.00 0.00 17.79 18.78 1cbw h ALA 86 CO 0.73 -0.06 -0.73 0.15 0.00 0.00 0.00 179.25 179.34 1cbw s LYS 87 N -1.91 0.86 -0.11 0.00 -0.14 -0.83 -4.92 119.74 112.69 1cbw s LYS 87 Ca -0.04 -1.19 0.02 0.00 -1.36 0.00 0.00 55.97 53.40 1cbw s LYS 87 Cb -0.00 -0.53 0.01 0.00 -1.68 0.00 0.00 37.83 35.63 1cbw s LYS 87 CO 0.15 0.08 -0.18 0.08 -0.76 0.00 0.00 175.35 174.72 1cbw s VAL 88 N -2.55 1.70 -0.38 3.17 1.01 -1.26 0.33 120.40 122.42 1cbw s VAL 88 Ca 0.07 -0.77 0.00 0.00 0.00 0.00 0.00 61.98 61.27 1cbw s VAL 88 Cb -0.02 -1.53 0.11 0.00 0.00 0.00 0.00 36.38 34.94 1cbw s VAL 88 CO -0.00 0.48 0.14 -0.36 0.00 0.00 0.00 175.10 175.36 1cbw s PHE 89 N 0.85 3.66 -0.03 5.22 0.40 0.80 -4.98 117.98 123.89 1cbw s PHE 89 Ca -0.09 -2.68 -0.24 0.00 -0.60 0.00 0.00 56.93 53.32 1cbw s PHE 89 Cb -0.15 -3.10 -0.04 0.00 0.51 0.00 0.00 43.02 40.24 1cbw s PHE 89 CO -0.00 -0.96 0.74 0.21 0.70 0.00 0.00 175.22 175.91 1cbw s LYS 90 N 1.02 4.46 -0.01 0.44 2.20 -1.26 -1.14 119.74 125.45 1cbw s LYS 90 Ca 0.10 0.97 -0.32 0.00 -0.36 0.00 0.00 55.97 56.36 1cbw s LYS 90 Cb -0.21 -3.43 -0.10 0.00 -1.51 0.00 0.00 37.83 32.58 1cbw s LYS 90 CO -0.06 0.11 1.93 -1.71 -0.36 0.00 0.00 175.35 175.25 1cbw n ASN 91 N 3.56 3.86 0.22 1.43 2.85 -0.67 -4.78 115.26 121.72 1cbw n ASN 91 Ca -0.01 0.94 0.15 0.00 -0.11 0.00 0.00 54.58 55.55 1cbw n ASN 91 Cb 0.51 -1.46 0.80 0.00 1.24 0.00 0.00 39.78 40.87 1cbw n ASN 91 CO 0.00 0.00 0.00 0.77 -2.11 0.00 0.00 177.26 175.92 1cbw h SER 92 N 9.87 0.00 -0.24 1.20 4.64 -1.93 -2.10 113.55 124.99 1cbw h SER 92 Ca -0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 1cbw h SER 92 Cb 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 1cbw h SER 92 CO 0.94 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 177.19 1cbw n LYS 93 N -2.53 2.40 -2.03 4.77 5.02 -1.26 -4.96 118.16 119.56 1cbw n LYS 93 Ca -0.02 -2.08 -0.42 0.00 -2.02 0.00 0.00 58.31 53.77 1cbw n LYS 93 Cb 0.05 -1.49 -0.03 0.00 -0.02 0.00 0.00 35.03 33.54 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 -1.71 2.99 -0.43 2.13 5.04 -0.79 -4.71 117.35 119.87 1cbw s TYR 94 Ca 0.35 0.69 -0.14 0.00 -2.44 0.00 0.00 57.07 55.53 1cbw s TYR 94 Cb 0.22 -3.83 0.05 0.00 0.35 0.00 0.00 41.96 38.74 1cbw s TYR 94 CO 0.31 -3.08 0.33 1.21 -1.34 0.00 0.00 175.55 172.98 1cbw s ASN 95 N 1.42 6.05 0.14 4.32 3.84 -0.56 -4.96 114.94 125.18 1cbw s ASN 95 Ca 0.68 -1.13 0.08 0.00 0.21 0.00 0.00 52.86 52.70 1cbw s ASN 95 Cb -0.40 -2.14 0.45 0.00 -0.55 0.00 0.00 41.25 38.61 1cbw s ASN 95 CO 0.31 -0.53 1.21 -1.54 -2.79 0.00 0.00 177.10 173.76 1cbw n SER 96 N 5.14 0.21 -0.06 -4.21 3.41 -1.26 0.11 113.62 116.97 1cbw n SER 96 Ca -0.12 0.56 -0.09 0.00 -0.26 0.00 0.00 58.87 58.96 1cbw n SER 96 Cb 0.45 -0.57 -0.05 0.00 -0.26 0.00 0.00 64.21 63.78 1cbw n SER 96 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1cbw n LEU 97 N -1.77 2.64 0.10 1.04 4.77 -1.26 -4.60 117.00 117.92 1cbw n LEU 97 Ca -0.01 -0.03 0.08 0.00 -0.03 0.00 0.00 56.01 56.03 1cbw n LEU 97 Cb 0.08 -0.39 -0.00 0.00 -2.33 0.00 0.00 43.42 40.78 1cbw n LEU 97 CO 0.04 0.62 0.05 0.71 -1.33 0.00 0.00 177.39 177.48 1cbw h THR 98 N -0.07 0.16 -1.66 -5.08 1.35 -1.97 -3.48 112.91 102.17 1cbw h THR 98 Ca -0.26 -1.29 -0.19 0.00 -0.55 0.00 0.00 66.41 64.12 1cbw h THR 98 Cb 1.37 1.72 0.00 0.00 -1.73 0.00 0.00 68.15 69.52 1cbw h THR 98 CO -0.06 0.09 -0.25 -0.38 -0.25 0.00 0.00 175.52 174.66 1cbw n ILE 99 N -2.80 -0.60 -2.89 6.82 5.41 0.31 -5.03 119.36 120.58 1cbw n ILE 99 Ca -0.02 0.00 -0.30 0.00 1.00 0.00 0.00 62.75 63.43 1cbw n ILE 99 Cb 0.62 -1.79 -0.03 0.00 -0.71 0.00 0.00 39.64 37.73 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 -2.67 6.51 -1.25 4.38 2.47 -1.23 -4.10 114.94 119.05 1cbw s ASN 100 Ca 0.04 1.09 -0.01 0.00 0.42 0.00 0.00 52.86 54.40 1cbw s ASN 100 Cb -0.02 -2.31 0.00 0.00 -1.45 0.00 0.00 41.25 37.48 1cbw s ASN 100 CO 0.06 -0.39 0.95 0.59 -3.72 0.00 0.00 177.10 174.59 1cbw n ASN 101 N -1.29 -2.39 -4.17 -4.21 3.02 -1.26 -1.50 115.26 103.46 1cbw n ASN 101 Ca 0.02 -0.66 -0.41 0.00 -0.03 0.00 0.00 54.58 53.49 1cbw n ASN 101 Cb 0.54 -4.82 -0.01 0.00 -0.61 0.00 0.00 39.78 34.88 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 -3.09 4.11 -3.97 6.41 -0.08 -1.26 -4.02 116.55 114.66 1cbw n ASP 102 Ca -0.25 -2.84 -0.09 0.00 -1.51 0.00 0.00 54.79 50.10 1cbw n ASP 102 Cb 0.66 -1.65 -0.10 0.00 2.34 0.00 0.00 41.12 42.37 1cbw n ASP 102 CO 0.00 0.00 0.00 -0.51 0.12 0.00 0.00 177.20 176.81 1cbw s ILE 103 N 4.64 0.15 -0.22 5.18 2.07 -1.26 -3.29 121.20 128.48 1cbw s ILE 103 Ca 0.53 -1.24 -0.14 0.00 -1.41 0.00 0.00 60.65 58.39 1cbw s ILE 103 Cb 0.08 -0.99 0.06 0.00 0.13 0.00 0.00 42.46 41.74 1cbw s ILE 103 CO 0.03 -0.68 0.54 -0.89 -1.91 0.00 0.00 174.94 172.02 1cbw s THR 104 N -2.86 -0.01 -0.14 4.00 2.01 0.74 -1.68 115.64 117.70 1cbw s THR 104 Ca -0.03 0.04 -0.05 0.00 0.31 0.00 0.00 61.69 61.96 1cbw s THR 104 Cb 0.00 -0.78 -0.04 0.00 0.01 0.00 0.00 72.50 71.70 1cbw s THR 104 CO -0.06 0.02 0.03 -0.76 -0.69 0.00 0.00 174.62 173.16 1cbw s LEU 105 N 1.18 3.69 -0.16 4.42 1.43 -0.29 -0.99 118.68 127.96 1cbw s LEU 105 Ca -0.07 0.10 -0.05 0.00 -1.03 0.00 0.00 54.13 53.08 1cbw s LEU 105 Cb -0.06 -1.89 -0.03 0.00 0.03 0.00 0.00 46.19 44.24 1cbw s LEU 105 CO -0.12 0.26 -0.01 -0.76 0.23 0.00 0.00 176.35 175.96 1cbw s LEU 106 N -0.16 3.42 -0.22 1.79 1.43 0.07 -0.14 118.68 124.87 1cbw s LEU 106 Ca 0.06 -0.05 -0.08 0.00 -1.03 0.00 0.00 54.13 53.03 1cbw s LEU 106 Cb -0.12 -1.83 -0.04 0.00 0.03 0.00 0.00 46.19 44.23 1cbw s LEU 106 CO 0.02 0.18 0.09 -0.75 0.23 0.00 0.00 176.35 176.12 1cbw s LYS 107 N 0.28 3.85 0.23 1.70 2.20 0.15 -2.22 119.74 125.93 1cbw s LYS 107 Ca -0.01 -0.39 -0.28 0.00 -0.36 0.00 0.00 55.97 54.93 1cbw s LYS 107 Cb -0.13 -3.33 -0.09 0.00 -1.51 0.00 0.00 37.83 32.77 1cbw s LYS 107 CO 0.02 0.02 0.89 -0.51 -0.36 0.00 0.00 175.35 175.41 1cbw s LEU 108 N 1.07 4.59 0.00 5.43 1.43 0.74 0.54 118.68 132.48 1cbw s LEU 108 Ca 0.05 1.83 0.17 0.00 -1.03 0.00 0.00 54.13 55.15 1cbw s LEU 108 Cb -0.14 -3.57 0.61 0.00 0.03 0.00 0.00 46.19 43.12 1cbw s LEU 108 CO 0.03 0.14 1.45 -1.54 0.23 0.00 0.00 176.35 176.67 1cbw n SER 109 N 1.38 1.64 -3.17 2.29 3.41 -0.31 -4.61 113.62 114.25 1cbw n SER 109 Ca -0.03 -1.80 0.03 0.00 -0.26 0.00 0.00 58.87 56.82 1cbw n SER 109 Cb 0.48 -0.14 -0.01 0.00 -0.26 0.00 0.00 64.21 64.27 1cbw n SER 109 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1cbw s THR 110 N -1.72 -0.96 0.97 6.66 2.01 -1.26 -4.99 115.64 116.35 1cbw s THR 110 Ca 0.29 -0.01 -0.12 0.00 0.31 0.00 0.00 61.69 62.16 1cbw s THR 110 Cb 0.15 -0.99 0.13 0.00 0.01 0.00 0.00 72.50 71.80 1cbw s THR 110 CO 0.22 -0.02 0.82 0.00 -0.69 0.00 0.00 174.62 174.96 1cbw n ALA 111 N 5.42 -1.86 -2.73 7.40 0.00 -1.26 -4.81 120.51 122.69 1cbw n ALA 111 Ca 0.00 -0.70 -0.37 0.00 0.00 0.00 0.00 53.44 52.38 1cbw n ALA 111 Cb 0.52 -2.00 -0.06 0.00 0.00 0.00 0.00 19.45 17.90 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 -2.51 3.74 -0.22 0.00 0.00 -0.56 -5.03 121.76 117.18 1cbw s ALA 112 Ca 0.63 -0.49 -0.21 0.00 0.00 0.00 0.00 51.96 51.89 1cbw s ALA 112 Cb -0.22 -2.21 -0.02 0.00 0.00 0.00 0.00 23.12 20.67 1cbw s ALA 112 CO 0.62 0.40 0.66 -1.12 0.00 0.00 0.00 175.76 176.32 1cbw s SER 113 N -0.50 6.68 0.57 0.00 0.01 -1.26 -4.75 113.70 114.46 1cbw s SER 113 Ca 0.17 0.83 -0.18 0.00 1.31 0.00 0.00 55.95 58.08 1cbw s SER 113 Cb -0.13 -2.36 -0.04 0.00 0.21 0.00 0.00 66.02 63.69 1cbw s SER 113 CO 0.06 -0.34 1.10 -0.36 0.41 0.00 0.00 173.24 174.10 1cbw s PHE 114 N 2.24 2.75 0.25 2.43 0.40 -1.26 -4.82 117.98 119.98 1cbw s PHE 114 Ca 0.29 1.55 -0.10 0.00 -0.60 0.00 0.00 56.93 58.07 1cbw s PHE 114 Cb -0.16 -3.18 0.04 0.00 0.51 0.00 0.00 43.02 40.23 1cbw s PHE 114 CO 0.09 -1.43 0.53 -1.13 0.70 0.00 0.00 175.22 173.99 1cbw n SER 115 N -1.66 -1.49 -0.33 1.36 3.41 0.01 -4.90 113.62 110.02 1cbw n SER 115 Ca 0.10 -2.02 0.09 0.00 -0.26 0.00 0.00 58.87 56.78 1cbw n SER 115 Cb 0.52 2.48 0.29 0.00 -0.26 0.00 0.00 64.21 67.24 1cbw n SER 115 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 1cbw h GLN 116 N 0.00 0.87 -0.48 4.33 4.20 -1.96 -2.15 115.11 119.92 1cbw h GLN 116 Ca -0.22 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.44 1cbw h GLN 116 Cb 0.81 -0.20 0.00 0.00 0.30 0.00 0.00 27.48 28.40 1cbw h GLN 116 CO 0.28 0.58 0.00 0.25 -0.67 0.00 0.00 178.83 179.26 1cbw n THR 117 N -4.59 0.64 -3.32 -0.54 -2.24 -1.26 -4.73 114.28 98.24 1cbw n THR 117 Ca 0.18 -0.82 -0.20 0.00 -2.27 0.00 0.00 64.05 60.94 1cbw n THR 117 Cb 0.38 0.85 -0.08 0.00 -2.10 0.00 0.00 70.33 69.38 1cbw n THR 117 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1cbw s VAL 118 N -1.34 -0.15 0.20 2.28 1.01 -0.81 -4.10 120.40 117.49 1cbw s VAL 118 Ca 0.41 -1.54 0.01 0.00 0.00 0.00 0.00 61.98 60.87 1cbw s VAL 118 Cb 0.23 -0.82 -0.00 0.00 0.00 0.00 0.00 36.38 35.79 1cbw s VAL 118 CO 0.32 -0.76 0.05 -1.54 0.00 0.00 0.00 175.10 173.16 1cbw n SER 119 N 3.71 1.59 -4.74 3.32 3.41 -1.25 -0.81 113.62 118.85 1cbw n SER 119 Ca 0.17 -2.01 -0.23 0.00 -0.26 0.00 0.00 58.87 56.54 1cbw n SER 119 Cb 0.45 0.37 -0.06 0.00 -0.26 0.00 0.00 64.21 64.72 1cbw n SER 119 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1cbw s ALA 120 N -2.47 3.40 0.33 7.33 0.00 -1.26 -3.40 121.76 125.69 1cbw s ALA 120 Ca 0.06 -1.45 -0.03 0.00 0.00 0.00 0.00 51.96 50.54 1cbw s ALA 120 Cb 0.00 -1.11 -0.04 0.00 0.00 0.00 0.00 23.12 21.97 1cbw s ALA 120 CO 0.05 0.32 0.58 0.54 0.00 0.00 0.00 175.76 177.25 1cbw s VAL 121 N -2.08 5.04 -0.22 0.00 0.11 -0.09 -4.86 120.40 118.30 1cbw s VAL 121 Ca 0.31 -0.13 -0.21 0.00 -2.93 0.00 0.00 61.98 59.03 1cbw s VAL 121 Cb -0.08 -3.80 -0.02 0.00 -1.53 0.00 0.00 36.38 30.95 1cbw s VAL 121 CO 0.22 -0.48 0.63 0.00 -3.33 0.00 0.00 175.10 172.15 1cbw s LEU 123 N 2.18 4.39 0.00 0.00 1.43 -1.26 -5.04 118.68 120.38 1cbw s LEU 123 Ca 0.28 2.09 -0.05 0.00 -1.03 0.00 0.00 54.13 55.42 1cbw s LEU 123 Cb -0.16 -3.87 0.11 0.00 0.03 0.00 0.00 46.19 42.30 1cbw s LEU 123 CO 0.09 -0.22 0.68 -0.81 0.23 0.00 0.00 176.35 176.32 1cbw n PRO 124 N 0.70 -0.32 -3.97 1.29 -0.04 -1.26 -5.07 135.00 126.33 1cbw n PRO 124 Ca 0.01 -1.35 -0.34 0.00 -0.04 0.00 0.00 63.50 61.79 1cbw n PRO 124 Cb 0.47 -0.60 -0.06 0.00 -0.04 0.00 0.00 33.50 33.28 1cbw n PRO 124 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1cbw s SER 125 N -3.58 6.15 0.43 3.54 0.15 -1.26 -4.97 113.70 114.16 1cbw s SER 125 Ca 0.41 0.31 0.17 0.00 0.70 0.00 0.00 55.95 57.54 1cbw s SER 125 Cb -0.02 -1.90 1.08 0.00 -1.71 0.00 0.00 66.02 63.47 1cbw s SER 125 CO 0.28 0.30 1.91 0.00 1.20 0.00 0.00 173.24 176.92 1cbw h ALA 126 N 4.15 2.16 -0.00 5.45 0.00 -2.07 0.38 119.26 129.34 1cbw h ALA 126 Ca -0.50 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1cbw h ALA 126 Cb 1.19 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.94 1cbw h ALA 126 CO 0.65 -0.38 -0.00 -1.13 0.00 0.00 0.00 179.25 178.38 1cbw n SER 127 N -4.48 0.12 -4.76 0.00 3.41 -1.26 -4.87 113.62 101.77 1cbw n SER 127 Ca 0.15 -0.97 -0.40 0.00 -0.26 0.00 0.00 58.87 57.40 1cbw n SER 127 Cb 0.58 -0.02 -0.04 0.00 -0.26 0.00 0.00 64.21 64.47 1cbw n SER 127 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1cbw s ASP 128 N -2.05 7.09 -0.22 4.04 1.01 0.13 -5.04 116.67 121.62 1cbw s ASP 128 Ca 0.46 2.27 0.02 0.00 0.71 0.00 0.00 52.55 56.01 1cbw s ASP 128 Cb 0.22 -2.62 0.04 0.00 1.01 0.00 0.00 42.92 41.57 1cbw s ASP 128 CO 0.38 -0.27 -0.15 -0.62 0.21 0.00 0.00 175.17 174.71 1cbw s ASP 129 N -0.98 3.84 -0.35 0.27 2.15 -1.26 -4.93 116.67 115.42 1cbw s ASP 129 Ca 0.48 -1.03 -0.12 0.00 0.43 0.00 0.00 52.55 52.31 1cbw s ASP 129 Cb -0.31 -1.52 0.00 0.00 -0.30 0.00 0.00 42.92 40.79 1cbw s ASP 129 CO 0.40 -0.10 0.21 -0.36 -0.17 0.00 0.00 175.17 175.15 1cbw s PHE 130 N 1.20 3.22 0.49 -5.34 0.08 -1.26 -5.06 117.98 111.30 1cbw s PHE 130 Ca -0.02 -0.54 -0.23 0.00 0.12 0.00 0.00 56.93 56.26 1cbw s PHE 130 Cb -0.17 -2.45 -0.06 0.00 -0.57 0.00 0.00 43.02 39.77 1cbw s PHE 130 CO -0.09 -0.49 1.30 0.00 -0.10 0.00 0.00 175.22 175.85 1cbw s ALA 131 N 1.65 2.96 0.05 5.36 0.00 -1.26 -5.00 121.76 125.52 1cbw s ALA 131 Ca 0.05 1.21 -0.29 0.00 0.00 0.00 0.00 51.96 52.93 1cbw s ALA 131 Cb -0.18 -3.50 -0.05 0.00 0.00 0.00 0.00 23.12 19.39 1cbw s ALA 131 CO 0.08 -1.07 0.93 0.00 0.00 0.00 0.00 175.76 175.71 1cbw s ALA 132 N -1.36 3.23 0.00 0.00 0.00 -1.26 -2.52 121.76 119.85 1cbw s ALA 132 Ca 0.66 0.51 0.00 0.00 0.00 0.00 0.00 51.96 53.13 1cbw s ALA 132 Cb -0.37 -3.26 0.00 0.00 0.00 0.00 0.00 23.12 19.49 1cbw s ALA 132 CO 0.45 -0.10 0.00 0.41 0.00 0.00 0.00 175.76 176.51 1cbw n GLY 133 N 2.57 2.28 3.67 0.00 0.00 -1.26 -5.05 105.19 107.40 1cbw n GLY 133 Ca 0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 1cbw n GLY 133 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1cbw s THR 134 N -2.45 3.09 -0.40 2.61 2.01 -1.05 -4.91 115.64 114.54 1cbw s THR 134 Ca 0.00 0.20 -0.29 0.00 0.31 0.00 0.00 61.69 61.91 1cbw s THR 134 Cb 0.00 -3.13 0.01 0.00 0.01 0.00 0.00 72.50 69.39 1cbw s THR 134 CO 0.00 -0.02 1.33 -0.89 -0.69 0.00 0.00 174.62 174.35 1cbw s THR 135 N 4.08 4.02 0.53 -0.82 2.01 -1.26 -4.98 115.64 119.22 1cbw s THR 135 Ca 0.83 1.07 0.04 0.00 0.31 0.00 0.00 61.69 63.94 1cbw s THR 135 Cb -0.41 -4.28 0.02 0.00 0.01 0.00 0.00 72.50 67.84 1cbw s THR 135 CO 0.38 -0.75 0.25 0.00 -0.69 0.00 0.00 174.62 173.81 1cbw s VAL 137 N -2.82 0.91 0.03 0.00 1.01 -1.26 -5.15 120.40 113.13 1cbw s VAL 137 Ca 0.23 -0.72 0.06 0.00 0.00 0.00 0.00 61.98 61.54 1cbw s VAL 137 Cb -0.01 -0.80 -0.02 0.00 0.00 0.00 0.00 36.38 35.54 1cbw s VAL 137 CO 0.14 0.08 -0.17 0.28 0.00 0.00 0.00 175.10 175.43 1cbw s THR 138 N -0.59 1.40 0.09 3.92 -1.32 -1.26 -5.15 115.64 112.72 1cbw s THR 138 Ca 0.02 -1.05 0.03 0.00 -1.21 0.00 0.00 61.69 59.48 1cbw s THR 138 Cb -0.06 -1.22 -0.03 0.00 -1.51 0.00 0.00 72.50 69.67 1cbw s THR 138 CO 0.00 0.15 -0.09 0.42 -2.21 0.00 0.00 174.62 172.90 1cbw s THR 139 N -0.76 0.78 0.00 5.08 -4.23 -1.26 -5.09 115.64 110.16 1cbw s THR 139 Ca 0.05 -1.60 0.00 0.00 -1.18 0.00 0.00 61.69 58.96 1cbw s THR 139 Cb -0.08 -1.28 0.00 0.00 1.34 0.00 0.00 72.50 72.47 1cbw s THR 139 CO 0.01 -0.61 0.00 0.61 -0.54 0.00 0.00 174.62 174.10 1cbw n GLY 140 N 0.59 -0.47 1.41 3.99 0.00 -1.26 -5.01 105.19 104.44 1cbw n GLY 140 Ca -0.16 -1.11 0.00 0.00 0.00 0.00 0.00 46.02 44.75 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 -0.46 1.60 -1.53 1.61 8.01 -1.26 -4.63 117.44 120.77 1cbw n TRP 141 Ca 0.00 -1.15 -0.30 0.00 -1.31 0.00 0.00 57.50 54.74 1cbw n TRP 141 Cb 0.00 -0.50 0.10 0.00 -2.01 0.00 0.00 31.31 28.90 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 -1.68 1.62 0.60 6.99 0.00 -1.26 -4.84 107.32 108.74 1cbw s GLY 142 Ca 0.48 -0.24 -0.18 0.00 0.00 0.00 0.00 44.72 44.79 1cbw s GLY 142 CO 0.09 0.21 0.07 1.04 0.00 0.00 0.00 173.10 174.51 1cbw n LEU 143 N -3.51 -2.10 -0.00 0.66 4.77 -1.26 -1.12 117.00 114.44 1cbw n LEU 143 Ca 0.07 0.62 0.08 0.00 -0.03 0.00 0.00 56.01 56.76 1cbw n LEU 143 Cb 0.57 -0.98 -0.10 0.00 -2.33 0.00 0.00 43.42 40.58 1cbw n LEU 143 CO 0.57 -4.22 -0.10 0.35 -1.33 0.00 0.00 177.39 172.66 1cbw n THR 144 N -1.77 0.00 -3.64 -5.08 -2.24 -1.19 0.94 114.28 101.31 1cbw n THR 144 Ca 0.08 -0.11 -0.09 0.00 -2.27 0.00 0.00 64.05 61.66 1cbw n THR 144 Cb 0.48 0.92 -0.07 0.00 -2.10 0.00 0.00 70.33 69.56 1cbw n THR 144 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1cbw s ARG 145 N -2.72 0.62 0.00 -0.78 1.70 -1.26 -3.43 118.95 113.08 1cbw s ARG 145 Ca 0.05 0.84 0.27 0.00 -0.47 0.00 0.00 55.73 56.42 1cbw s ARG 145 Cb 0.13 0.24 0.83 0.00 -0.57 0.00 0.00 34.95 35.59 1cbw s ARG 145 CO 0.73 -0.09 1.62 0.98 -1.08 0.00 0.00 175.30 177.46