#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 5cha s VAL 17 N 0.00 5.31 -0.68 1.39 1.01 -1.25 -3.75 120.40 122.43 5cha s VAL 17 Ca 0.00 0.36 0.00 0.00 0.00 0.00 0.00 61.98 62.34 5cha s VAL 17 Cb 0.00 -3.57 0.00 0.00 0.00 0.00 0.00 36.38 32.81 5cha s VAL 17 CO 0.00 0.32 0.00 -3.20 0.00 0.00 0.00 175.10 172.22 5cha n ASN 18 N 4.29 -3.01 -1.97 3.32 5.15 -1.26 -5.04 115.26 116.74 5cha n ASN 18 Ca -0.13 0.03 0.00 0.00 -0.60 0.00 0.00 54.58 53.88 5cha n ASN 18 Cb 0.52 -2.11 0.00 0.00 -0.53 0.00 0.00 39.78 37.65 5cha n ASN 18 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 5cha n GLY 19 N -1.21 0.09 3.13 8.20 0.00 -1.26 -5.15 105.19 108.99 5cha n GLY 19 Ca -0.09 -1.83 -0.10 0.00 0.00 0.00 0.00 46.02 44.00 5cha n GLY 19 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 5cha s GLU 20 N -1.84 0.72 0.08 1.61 8.01 -1.26 -5.13 118.70 120.89 5cha s GLU 20 Ca 0.00 -1.21 -0.30 0.00 0.01 0.00 0.00 54.97 53.47 5cha s GLU 20 Cb 0.00 -0.09 -0.06 0.00 -4.31 0.00 0.00 34.13 29.68 5cha s GLU 20 CO 0.00 -0.04 1.13 -2.00 0.01 0.00 0.00 175.26 174.36 5cha s GLU 21 N -3.52 4.50 0.77 1.61 2.12 -1.26 -5.02 118.70 117.90 5cha s GLU 21 Ca 0.07 1.69 -0.12 0.00 0.36 0.00 0.00 54.97 56.97 5cha s GLU 21 Cb 0.04 -3.35 0.06 0.00 0.26 0.00 0.00 34.13 31.13 5cha s GLU 21 CO -0.05 -0.13 1.15 0.00 -0.54 0.00 0.00 175.26 175.68 5cha s ALA 22 N 0.71 2.74 0.05 6.30 0.00 -1.26 -5.02 121.76 125.29 5cha s ALA 22 Ca 0.55 -0.55 -0.29 0.00 0.00 0.00 0.00 51.96 51.66 5cha s ALA 22 Cb -0.28 -2.97 -0.04 0.00 0.00 0.00 0.00 23.12 19.82 5cha s ALA 22 CO 0.30 -1.49 0.94 0.08 0.00 0.00 0.00 175.76 175.60 5cha s VAL 23 N -3.50 4.70 0.15 0.00 1.01 -1.26 -4.95 120.40 116.54 5cha s VAL 23 Ca 0.61 2.01 -0.34 0.00 0.00 0.00 0.00 61.98 64.25 5cha s VAL 23 Cb -0.11 -4.29 -0.15 0.00 0.00 0.00 0.00 36.38 31.82 5cha s VAL 23 CO 0.50 0.25 1.40 -2.65 0.00 0.00 0.00 175.10 174.60 5cha n PRO 24 N 3.30 1.60 -0.93 2.72 -0.02 -1.26 -2.13 135.00 138.28 5cha n PRO 24 Ca 0.03 0.58 0.00 0.00 -2.02 0.00 0.00 63.50 62.09 5cha n PRO 24 Cb 0.50 -2.24 0.00 0.00 -0.02 0.00 0.00 33.50 31.74 5cha n PRO 24 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 5cha n GLY 25 N 2.68 0.77 0.00 -1.23 0.00 -1.26 -4.91 105.19 101.24 5cha n GLY 25 Ca 0.16 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.31 5cha n GLY 25 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 5cha n SER 26 N -0.03 0.02 -3.46 1.61 3.41 -0.91 -3.67 113.62 110.59 5cha n SER 26 Ca 0.00 0.50 -0.26 0.00 -0.26 0.00 0.00 58.87 58.85 5cha n SER 26 Cb 0.01 -0.51 -0.09 0.00 -0.26 0.00 0.00 64.21 63.37 5cha n SER 26 CO 0.00 0.00 0.00 0.79 -0.16 0.00 0.00 175.04 175.67 5cha n TRP 27 N -1.51 1.85 0.31 7.33 7.02 -1.26 -4.97 117.44 126.20 5cha n TRP 27 Ca 0.06 -3.91 0.20 0.00 -1.02 0.00 0.00 57.50 52.84 5cha n TRP 27 Cb 0.31 -0.40 1.04 0.00 -2.42 0.00 0.00 31.31 29.85 5cha n TRP 27 CO 0.00 0.00 0.00 -1.00 -2.02 0.00 0.00 177.69 174.67 5cha h PRO 28 N 4.62 0.00 0.00 -0.99 0.13 -1.78 -1.38 132.00 132.59 5cha h PRO 28 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 5cha h PRO 28 Cb 0.77 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.90 5cha h PRO 28 CO 0.64 0.00 -0.54 -2.67 -0.23 0.00 0.00 178.00 175.21 5cha n TRP 29 N -2.97 0.23 -2.09 1.56 2.14 -0.93 -2.71 117.44 112.66 5cha n TRP 29 Ca -0.02 0.07 -0.42 0.00 2.07 0.00 0.00 57.50 59.19 5cha n TRP 29 Cb 0.11 -0.43 -0.03 0.00 -0.81 0.00 0.00 31.31 30.15 5cha n TRP 29 CO 0.00 0.00 0.00 -1.14 2.07 0.00 0.00 177.69 178.62 5cha s GLN 30 N -3.07 4.24 0.32 -2.67 2.00 -0.52 -1.08 119.66 118.88 5cha s GLN 30 Ca 0.09 2.12 0.10 0.00 -2.00 0.00 0.00 55.36 55.68 5cha s GLN 30 Cb 0.16 -3.60 -0.06 0.00 0.80 0.00 0.00 33.01 30.31 5cha s GLN 30 CO 0.70 -0.66 -0.12 0.14 -0.50 0.00 0.00 175.29 174.86 5cha s VAL 31 N 2.58 2.38 -0.03 1.34 -7.23 -0.46 -4.58 120.40 114.40 5cha s VAL 31 Ca 0.68 -2.24 0.06 0.00 -1.81 0.00 0.00 61.98 58.67 5cha s VAL 31 Cb -0.35 -2.56 -0.01 0.00 0.56 0.00 0.00 36.38 34.02 5cha s VAL 31 CO 0.29 -0.27 -0.22 -0.55 -0.31 0.00 0.00 175.10 174.04 5cha s SER 32 N -3.59 2.67 -0.16 4.85 0.15 -0.26 -2.53 113.70 114.83 5cha s SER 32 Ca 0.32 -0.42 -0.11 0.00 0.70 0.00 0.00 55.95 56.43 5cha s SER 32 Cb -0.00 -0.46 -0.05 0.00 -1.71 0.00 0.00 66.02 63.80 5cha s SER 32 CO 0.16 0.25 0.21 -0.76 1.20 0.00 0.00 173.24 174.30 5cha s LEU 33 N -0.37 4.27 0.12 3.45 1.02 0.65 -0.72 118.68 127.09 5cha s LEU 33 Ca 0.04 0.41 0.08 0.00 0.02 0.00 0.00 54.13 54.69 5cha s LEU 33 Cb -0.10 -2.22 -0.04 0.00 0.02 0.00 0.00 46.19 43.85 5cha s LEU 33 CO 0.01 0.19 -0.15 -1.10 0.02 0.00 0.00 176.35 175.32 5cha s GLN 34 N 0.10 1.92 0.55 1.70 -0.21 0.44 -1.75 119.66 122.40 5cha s GLN 34 Ca 0.13 -1.13 0.00 0.00 0.02 0.00 0.00 55.36 54.39 5cha s GLN 34 Cb -0.12 -2.18 0.11 0.00 1.00 0.00 0.00 33.01 31.81 5cha s GLN 34 CO 0.02 0.49 0.76 -0.40 -2.12 0.00 0.00 175.29 174.03 5cha n ASP 35 N 0.73 1.07 -0.52 5.90 5.68 -0.94 -1.49 116.55 126.97 5cha n ASP 35 Ca -0.15 -1.89 0.03 0.00 -0.50 0.00 0.00 54.79 52.28 5cha n ASP 35 Cb 0.53 -0.49 0.09 0.00 -1.14 0.00 0.00 41.12 40.11 5cha n ASP 35 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 5cha n LYS 36 N -2.39 1.63 0.00 0.11 4.01 -1.26 -1.39 118.16 118.88 5cha n LYS 36 Ca 0.13 -0.75 0.12 0.00 -0.51 0.00 0.00 58.31 57.29 5cha n LYS 36 Cb 0.45 -1.32 0.17 0.00 -0.51 0.00 0.00 35.03 33.82 5cha n LYS 36 CO 0.00 0.00 0.00 0.25 -1.11 0.00 0.00 177.40 176.54 5cha n THR 37 N 0.11 0.00 -0.18 -0.18 -2.24 -1.26 -4.96 114.28 105.56 5cha n THR 37 Ca 0.07 -0.07 0.00 0.00 -2.27 0.00 0.00 64.05 61.77 5cha n THR 37 Cb 0.27 0.60 0.00 0.00 -2.10 0.00 0.00 70.33 69.10 5cha n THR 37 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 5cha n GLY 38 N 1.44 0.91 3.25 3.38 0.00 -0.48 -5.11 105.19 108.58 5cha n GLY 38 Ca 0.08 -0.02 -0.14 0.00 0.00 0.00 0.00 46.02 45.93 5cha n GLY 38 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 5cha s PHE 39 N -2.00 1.35 -0.09 1.61 5.36 -1.25 -4.79 117.98 118.17 5cha s PHE 39 Ca 0.00 -1.34 -0.34 0.00 -0.96 0.00 0.00 56.93 54.29 5cha s PHE 39 Cb 0.00 -0.69 -0.11 0.00 -0.34 0.00 0.00 43.02 41.87 5cha s PHE 39 CO 0.00 -0.56 1.90 1.58 -1.46 0.00 0.00 175.22 176.68 5cha n HIS 40 N -0.38 2.34 0.00 10.12 -0.00 -1.26 -2.21 115.22 123.83 5cha n HIS 40 Ca 0.02 -0.03 0.00 0.00 -0.00 0.00 0.00 57.72 57.70 5cha n HIS 40 Cb 0.66 -2.68 0.00 0.00 -0.00 0.00 0.00 29.99 27.97 5cha n HIS 40 CO 0.00 0.00 0.00 1.97 -0.00 0.00 0.00 176.34 178.31 5cha n PHE 41 N 6.79 0.00 -3.60 1.57 1.16 -0.72 -5.00 117.46 117.66 5cha n PHE 41 Ca 0.23 0.00 -0.04 0.00 -1.87 0.00 0.00 57.45 55.77 5cha n PHE 41 Cb 0.30 0.00 -0.02 0.00 -1.61 0.00 0.00 39.48 38.16 5cha n PHE 41 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 5cha s GLY 43 N -2.54 1.87 0.16 0.00 0.00 -1.26 -0.25 107.32 105.30 5cha s GLY 43 Ca 0.10 -1.71 -0.24 0.00 0.00 0.00 0.00 44.72 42.86 5cha s GLY 43 CO -0.05 -1.44 0.82 -0.32 0.00 0.00 0.00 173.10 172.12 5cha s GLY 44 N -4.45 -0.31 -0.05 0.20 0.00 -1.05 -4.60 107.32 97.07 5cha s GLY 44 Ca 0.57 0.25 0.03 0.00 0.00 0.00 0.00 44.72 45.57 5cha s GLY 44 CO 0.36 0.07 -0.14 -0.56 0.00 0.00 0.00 173.10 172.83 5cha s SER 45 N -2.81 1.89 -0.12 1.64 0.01 -0.26 -1.35 113.70 112.69 5cha s SER 45 Ca 0.08 -0.31 -0.29 0.00 1.31 0.00 0.00 55.95 56.75 5cha s SER 45 Cb -0.02 -0.69 -0.01 0.00 0.21 0.00 0.00 66.02 65.50 5cha s SER 45 CO -0.01 0.09 0.97 -0.76 0.41 0.00 0.00 173.24 173.93 5cha s LEU 46 N 0.35 4.23 0.00 2.44 1.43 -0.24 0.58 118.68 127.46 5cha s LEU 46 Ca -0.09 1.44 0.05 0.00 -1.03 0.00 0.00 54.13 54.50 5cha s LEU 46 Cb -0.13 -3.48 -0.02 0.00 0.03 0.00 0.00 46.19 42.59 5cha s LEU 46 CO 0.03 -0.44 0.36 2.30 0.23 0.00 0.00 176.35 178.83 5cha n ILE 47 N 4.61 0.00 -3.93 -0.59 -5.35 -0.61 -1.90 119.36 111.59 5cha n ILE 47 Ca 0.08 -0.43 -0.11 0.00 -0.27 0.00 0.00 62.75 62.02 5cha n ILE 47 Cb 0.49 1.04 -0.01 0.00 -1.74 0.00 0.00 39.64 39.42 5cha n ILE 47 CO 0.00 0.00 0.00 0.20 -1.76 0.00 0.00 176.55 174.99 5cha s ASN 48 N -1.10 0.36 0.42 7.28 0.02 -1.23 -4.69 114.94 116.00 5cha s ASN 48 Ca 0.03 -1.25 0.23 0.00 -1.02 0.00 0.00 52.86 50.85 5cha s ASN 48 Cb 0.04 0.77 0.60 0.00 0.02 0.00 0.00 41.25 42.67 5cha s ASN 48 CO 0.15 -1.51 1.69 -0.33 0.02 0.00 0.00 177.10 177.12 5cha h GLU 49 N 2.05 0.00 -0.01 -0.60 5.08 -1.96 -3.29 114.58 115.86 5cha h GLU 49 Ca -0.30 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.06 5cha h GLU 49 Cb 1.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.50 5cha h GLU 49 CO 0.39 0.19 -0.07 0.09 -1.00 0.00 0.00 179.01 178.61 5cha n ASN 50 N -3.21 1.36 -3.92 1.42 3.02 -1.26 0.77 115.26 113.44 5cha n ASN 50 Ca 0.02 -1.18 -0.14 0.00 -0.03 0.00 0.00 54.58 53.25 5cha n ASN 50 Cb 0.52 0.22 -0.14 0.00 -0.61 0.00 0.00 39.78 39.76 5cha n ASN 50 CO 0.00 0.00 0.00 0.26 -2.62 0.00 0.00 177.26 174.90 5cha s TRP 51 N -0.86 0.23 0.05 3.10 0.52 -1.24 -0.29 118.94 120.45 5cha s TRP 51 Ca 0.08 -0.06 0.09 0.00 0.02 0.00 0.00 56.10 56.23 5cha s TRP 51 Cb 0.06 -0.15 -0.03 0.00 -1.15 0.00 0.00 33.47 32.21 5cha s TRP 51 CO 0.14 -0.01 -0.26 0.08 0.02 0.00 0.00 176.95 176.92 5cha s VAL 52 N -0.12 2.12 -0.11 4.03 1.01 -0.54 -1.58 120.40 125.21 5cha s VAL 52 Ca 0.00 -1.41 0.00 0.00 0.00 0.00 0.00 61.98 60.58 5cha s VAL 52 Cb -0.01 -1.82 -0.02 0.00 0.00 0.00 0.00 36.38 34.53 5cha s VAL 52 CO -0.00 0.33 -0.12 -0.69 0.00 0.00 0.00 175.10 174.62 5cha s VAL 53 N -0.83 3.16 0.04 2.92 1.01 0.20 -1.33 120.40 125.56 5cha s VAL 53 Ca 0.12 -0.64 0.00 0.00 0.00 0.00 0.00 61.98 61.46 5cha s VAL 53 Cb -0.10 -2.31 -0.00 0.00 0.00 0.00 0.00 36.38 33.97 5cha s VAL 53 CO 0.02 0.54 0.05 1.07 0.00 0.00 0.00 175.10 176.78 5cha n THR 54 N 3.18 0.00 -3.49 3.92 5.66 -0.39 -1.11 114.28 122.05 5cha n THR 54 Ca -0.18 -0.25 -0.35 0.00 -3.05 0.00 0.00 64.05 60.23 5cha n THR 54 Cb 0.53 0.14 -0.06 0.00 -1.55 0.00 0.00 70.33 69.39 5cha n THR 54 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 5cha s ALA 55 N -1.92 3.67 0.31 1.79 0.00 -1.26 -1.58 121.76 122.76 5cha s ALA 55 Ca 0.04 -0.29 0.04 0.00 0.00 0.00 0.00 51.96 51.76 5cha s ALA 55 Cb 0.00 -2.37 0.52 0.00 0.00 0.00 0.00 23.12 21.27 5cha s ALA 55 CO 0.03 0.52 1.79 0.00 0.00 0.00 0.00 175.76 178.10 5cha h ALA 56 N 3.65 1.23 0.00 0.00 0.00 -1.75 -2.61 119.26 119.77 5cha h ALA 56 Ca -0.49 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 54.11 5cha h ALA 56 Cb 1.19 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.86 5cha h ALA 56 CO 0.66 0.50 -0.08 1.12 0.00 0.00 0.00 179.25 181.45 5cha h HIS 57 N 0.40 0.00 0.00 0.00 2.07 -1.93 -2.82 115.15 112.87 5cha h HIS 57 Ca 0.07 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.59 5cha h HIS 57 Cb 0.55 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.53 5cha h HIS 57 CO 0.02 0.08 0.00 0.00 -3.07 0.00 0.00 177.93 174.95 5cha n GLY 59 N -1.15 -0.50 3.77 0.00 0.00 -1.07 -4.90 105.19 101.35 5cha n GLY 59 Ca 0.01 0.13 -0.39 0.00 0.00 0.00 0.00 46.02 45.76 5cha n GLY 59 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 5cha s VAL 60 N -3.09 2.36 0.12 1.61 1.01 -1.26 -5.03 120.40 116.12 5cha s VAL 60 Ca 0.47 0.31 0.04 0.00 0.00 0.00 0.00 61.98 62.80 5cha s VAL 60 Cb -0.24 -3.18 -0.04 0.00 0.00 0.00 0.00 36.38 32.92 5cha s VAL 60 CO 0.57 0.04 -0.10 0.42 0.00 0.00 0.00 175.10 176.03 5cha s THR 61 N -1.26 1.05 -1.66 3.92 -4.23 -1.26 -4.99 115.64 107.21 5cha s THR 61 Ca 0.60 -1.91 0.06 0.00 -1.18 0.00 0.00 61.69 59.27 5cha s THR 61 Cb -0.40 -1.67 0.13 0.00 1.34 0.00 0.00 72.50 71.90 5cha s THR 61 CO 0.51 -0.69 0.94 0.35 -0.54 0.00 0.00 174.62 175.19 5cha n THR 62 N 0.08 0.56 1.05 3.99 -2.24 -1.26 0.62 114.28 117.07 5cha n THR 62 Ca -0.12 0.14 0.11 0.00 -2.27 0.00 0.00 64.05 61.91 5cha n THR 62 Cb 0.60 -1.05 0.07 0.00 -2.10 0.00 0.00 70.33 67.85 5cha n THR 62 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 5cha n SER 63 N -1.17 1.75 -4.92 3.42 3.41 -1.26 -4.45 113.62 110.39 5cha n SER 63 Ca 0.03 -1.34 -0.26 0.00 -0.26 0.00 0.00 58.87 57.04 5cha n SER 63 Cb 0.04 0.44 0.00 0.00 -0.26 0.00 0.00 64.21 64.43 5cha n SER 63 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 5cha s ASP 64 N -2.52 6.12 -0.03 4.04 -0.00 0.20 -4.05 116.67 120.43 5cha s ASP 64 Ca 0.19 0.72 0.06 0.00 -0.00 0.00 0.00 52.55 53.51 5cha s ASP 64 Cb 0.18 -2.04 -0.01 0.00 -0.00 0.00 0.00 42.92 41.05 5cha s ASP 64 CO 0.58 -0.60 -0.21 -0.69 -0.00 0.00 0.00 175.17 174.25 5cha s VAL 65 N -2.66 1.68 -0.24 -1.27 1.01 -0.56 -4.23 120.40 114.13 5cha s VAL 65 Ca 0.47 -0.88 -0.16 0.00 0.00 0.00 0.00 61.98 61.40 5cha s VAL 65 Cb -0.10 -1.42 -0.04 0.00 0.00 0.00 0.00 36.38 34.83 5cha s VAL 65 CO 0.42 0.48 0.42 -0.69 0.00 0.00 0.00 175.10 175.73 5cha s VAL 66 N -0.25 5.16 -0.27 2.92 1.01 -0.41 -0.42 120.40 128.14 5cha s VAL 66 Ca 0.02 0.71 -0.04 0.00 0.00 0.00 0.00 61.98 62.67 5cha s VAL 66 Cb -0.10 -3.75 0.01 0.00 0.00 0.00 0.00 36.38 32.54 5cha s VAL 66 CO 0.01 0.18 0.01 -0.69 0.00 0.00 0.00 175.10 174.60 5cha s VAL 67 N 1.83 3.43 0.10 2.92 1.01 0.10 -0.15 120.40 129.63 5cha s VAL 67 Ca 0.18 -0.82 0.09 0.00 0.00 0.00 0.00 61.98 61.43 5cha s VAL 67 Cb -0.15 -2.74 -0.04 0.00 0.00 0.00 0.00 36.38 33.45 5cha s VAL 67 CO 0.09 0.17 -0.20 0.00 0.00 0.00 0.00 175.10 175.16 5cha s ALA 68 N 1.42 2.60 0.00 5.51 0.00 0.25 -1.11 121.76 130.43 5cha s ALA 68 Ca 0.02 -1.33 0.00 0.00 0.00 0.00 0.00 51.96 50.65 5cha s ALA 68 Cb -0.17 -0.62 0.00 0.00 0.00 0.00 0.00 23.12 22.33 5cha s ALA 68 CO -0.01 0.58 0.00 0.41 0.00 0.00 0.00 175.76 176.74 5cha n GLY 69 N 1.03 0.78 3.82 0.00 0.00 -1.26 0.73 105.19 110.29 5cha n GLY 69 Ca -0.16 -0.02 -0.38 0.00 0.00 0.00 0.00 46.02 45.46 5cha n GLY 69 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 5cha s GLU 70 N -0.57 4.14 0.11 1.61 0.41 -1.26 -4.65 118.70 118.48 5cha s GLU 70 Ca 0.00 0.67 0.00 0.00 -0.41 0.00 0.00 54.97 55.23 5cha s GLU 70 Cb 0.00 -3.15 0.00 0.00 -1.78 0.00 0.00 34.13 29.20 5cha s GLU 70 CO 0.00 0.60 0.00 0.34 -0.49 0.00 0.00 175.26 175.71 5cha n PHE 71 N 1.48 -0.19 -3.96 1.61 7.35 -1.26 -4.87 117.46 117.62 5cha n PHE 71 Ca -0.09 0.03 -0.35 0.00 -0.76 0.00 0.00 57.45 56.28 5cha n PHE 71 Cb 0.51 0.05 -0.11 0.00 0.35 0.00 0.00 39.48 40.27 5cha n PHE 71 CO 0.00 0.00 0.00 0.34 -0.76 0.00 0.00 176.76 176.34 5cha s ASP 72 N -5.85 5.32 0.00 -2.13 3.68 -1.26 -4.99 116.67 111.44 5cha s ASP 72 Ca 0.00 -0.07 0.15 0.00 2.13 0.00 0.00 52.55 54.76 5cha s ASP 72 Cb 0.00 -1.92 0.83 0.00 -1.45 0.00 0.00 42.92 40.38 5cha s ASP 72 CO 0.00 0.09 1.54 0.00 0.13 0.00 0.00 175.17 176.93 5cha n GLN 73 N 4.12 1.11 -0.00 4.34 6.02 -1.26 -3.07 117.38 128.64 5cha n GLN 73 Ca -0.16 -0.17 0.00 0.00 -0.01 0.00 0.00 57.00 56.65 5cha n GLN 73 Cb 0.52 -1.25 0.00 0.00 1.02 0.00 0.00 30.24 30.54 5cha n GLN 73 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 5cha n GLY 74 N 0.79 0.63 3.61 1.08 0.00 -1.26 -5.04 105.19 104.99 5cha n GLY 74 Ca 0.12 -0.01 -0.59 0.00 0.00 0.00 0.00 46.02 45.53 5cha n GLY 74 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 5cha n SER 75 N -0.20 1.87 0.10 1.61 3.41 -1.18 -4.77 113.62 114.47 5cha n SER 75 Ca 0.00 0.93 0.20 0.00 -0.26 0.00 0.00 58.87 59.74 5cha n SER 75 Cb 0.13 -1.07 0.76 0.00 -0.26 0.00 0.00 64.21 63.76 5cha n SER 75 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 5cha h SER 76 N 7.91 0.00 0.00 4.04 4.64 -1.96 -3.42 113.55 124.75 5cha h SER 76 Ca -0.37 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.95 5cha h SER 76 Cb 1.34 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.43 5cha h SER 76 CO 0.99 0.00 0.00 -0.24 -0.87 0.00 0.00 176.83 176.71 5cha n SER 77 N -3.80 0.00 -2.74 4.97 2.88 -1.26 -5.20 113.62 108.47 5cha n SER 77 Ca 0.06 0.00 -0.12 0.00 -1.33 0.00 0.00 58.87 57.49 5cha n SER 77 Cb 0.56 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 64.01 5cha n SER 77 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 5cha n GLU 78 N -0.35 0.76 -1.57 -1.46 1.02 -1.26 -5.04 120.64 112.74 5cha n GLU 78 Ca 0.00 -2.36 -0.32 0.00 -0.02 0.00 0.00 57.16 54.46 5cha n GLU 78 Cb 0.00 2.46 -0.05 0.00 -0.02 0.00 0.00 31.44 33.83 5cha n GLU 78 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 5cha n LYS 79 N -0.51 3.45 -2.56 3.49 3.00 -1.26 -4.94 118.16 118.83 5cha n LYS 79 Ca -0.02 -2.54 -0.27 0.00 -0.00 0.00 0.00 58.31 55.48 5cha n LYS 79 Cb 0.53 -2.44 0.01 0.00 0.00 0.00 0.00 35.03 33.13 5cha n LYS 79 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.40 178.36 5cha s ILE 80 N -0.44 4.44 -0.15 3.15 -4.36 -1.26 -4.77 121.20 117.80 5cha s ILE 80 Ca 0.61 0.11 0.01 0.00 -0.26 0.00 0.00 60.65 61.12 5cha s ILE 80 Cb 0.26 -3.71 0.01 0.00 1.25 0.00 0.00 42.46 40.27 5cha s ILE 80 CO -0.11 -0.70 -0.19 -1.10 0.24 0.00 0.00 174.94 173.08 5cha s GLN 81 N -4.82 3.09 -0.37 0.37 -0.21 0.22 -4.98 119.66 112.97 5cha s GLN 81 Ca 0.50 -0.81 -0.11 0.00 0.02 0.00 0.00 55.36 54.95 5cha s GLN 81 Cb -0.10 -2.54 0.02 0.00 1.00 0.00 0.00 33.01 31.39 5cha s GLN 81 CO 0.45 -0.04 0.21 0.15 -2.12 0.00 0.00 175.29 173.94 5cha s LYS 82 N 0.91 2.98 -0.10 2.91 3.01 -1.26 -0.59 119.74 127.61 5cha s LYS 82 Ca -0.04 -0.98 0.01 0.00 -1.01 0.00 0.00 55.97 53.94 5cha s LYS 82 Cb -0.15 -3.75 -0.02 0.00 -1.01 0.00 0.00 37.83 32.90 5cha s LYS 82 CO -0.03 -0.64 -0.11 -0.51 0.51 0.00 0.00 175.35 174.57 5cha s LEU 83 N 1.59 2.90 0.49 3.17 1.43 0.79 -4.94 118.68 124.12 5cha s LEU 83 Ca 0.03 -0.19 -0.18 0.00 -1.03 0.00 0.00 54.13 52.76 5cha s LEU 83 Cb -0.19 -1.64 -0.09 0.00 0.03 0.00 0.00 46.19 44.31 5cha s LEU 83 CO 0.07 0.26 0.98 -0.54 0.23 0.00 0.00 176.35 177.36 5cha s LYS 84 N -0.23 3.98 -0.25 1.70 3.01 -1.26 -1.29 119.74 125.41 5cha s LYS 84 Ca 0.02 1.03 -0.06 0.00 -1.01 0.00 0.00 55.97 55.95 5cha s LYS 84 Cb -0.13 -2.14 -0.01 0.00 -1.01 0.00 0.00 37.83 34.54 5cha s LYS 84 CO 0.03 -0.24 0.04 0.42 0.51 0.00 0.00 175.35 176.10 5cha s ILE 85 N -2.46 3.90 -0.06 2.17 1.01 -1.26 -1.53 121.20 122.96 5cha s ILE 85 Ca 0.60 -0.43 -0.25 0.00 0.00 0.00 0.00 60.65 60.58 5cha s ILE 85 Cb -0.10 -2.86 -0.23 0.00 0.01 0.00 0.00 42.46 39.27 5cha s ILE 85 CO 0.26 0.29 1.02 0.00 0.00 0.00 0.00 174.94 176.51 5cha h ALA 86 N 8.19 0.03 -2.49 9.38 0.00 -1.31 -3.43 119.26 129.63 5cha h ALA 86 Ca -0.37 -0.45 -0.11 0.00 0.00 0.00 0.00 54.91 53.98 5cha h ALA 86 Cb 1.16 0.01 -0.21 0.00 0.00 0.00 0.00 17.79 18.75 5cha h ALA 86 CO 0.59 0.05 -0.18 0.21 0.00 0.00 0.00 179.25 179.92 5cha s LYS 87 N -3.12 0.68 -0.14 0.00 2.20 -1.10 -4.99 119.74 113.26 5cha s LYS 87 Ca -0.16 0.13 -0.04 0.00 -0.36 0.00 0.00 55.97 55.54 5cha s LYS 87 Cb 0.00 0.31 -0.03 0.00 -1.51 0.00 0.00 37.83 36.60 5cha s LYS 87 CO 0.73 -0.17 -0.00 0.08 -0.36 0.00 0.00 175.35 175.63 5cha s VAL 88 N -0.81 4.23 -0.46 4.02 1.01 -1.26 -0.72 120.40 126.41 5cha s VAL 88 Ca -0.09 -0.25 0.02 0.00 0.00 0.00 0.00 61.98 61.66 5cha s VAL 88 Cb -0.04 -2.84 0.12 0.00 0.00 0.00 0.00 36.38 33.63 5cha s VAL 88 CO 0.04 0.52 0.21 -0.36 0.00 0.00 0.00 175.10 175.51 5cha s PHE 89 N -0.04 3.46 -0.28 5.22 0.40 0.20 -4.98 117.98 121.97 5cha s PHE 89 Ca 0.03 -2.97 -0.24 0.00 -0.60 0.00 0.00 56.93 53.16 5cha s PHE 89 Cb -0.13 -2.96 -0.00 0.00 0.51 0.00 0.00 43.02 40.44 5cha s PHE 89 CO 0.02 -0.85 0.79 -1.59 0.70 0.00 0.00 175.22 174.29 5cha s LYS 90 N 0.32 4.06 -0.06 0.44 -2.85 -1.26 -0.48 119.74 119.90 5cha s LYS 90 Ca 0.14 0.72 -0.30 0.00 -1.00 0.00 0.00 55.97 55.53 5cha s LYS 90 Cb -0.22 -3.69 -0.05 0.00 -2.06 0.00 0.00 37.83 31.80 5cha s LYS 90 CO -0.04 -0.60 1.60 1.21 0.10 0.00 0.00 175.35 177.63 5cha s ASN 91 N 1.51 6.70 0.00 0.03 3.04 -1.19 -4.84 114.94 120.19 5cha s ASN 91 Ca 0.33 2.18 0.00 0.00 0.04 0.00 0.00 52.86 55.41 5cha s ASN 91 Cb -0.15 -2.54 0.00 0.00 -1.54 0.00 0.00 41.25 37.03 5cha s ASN 91 CO 0.10 -0.90 0.86 -1.54 -3.04 0.00 0.00 177.10 172.58 5cha n SER 92 N 6.99 0.00 -0.53 -4.21 3.41 -1.26 -1.18 113.62 116.84 5cha n SER 92 Ca 0.17 0.37 0.12 0.00 -0.26 0.00 0.00 58.87 59.26 5cha n SER 92 Cb 0.43 -0.37 0.08 0.00 -0.26 0.00 0.00 64.21 64.09 5cha n SER 92 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 5cha n LYS 93 N -1.36 1.33 -1.69 4.33 5.02 -1.26 -4.98 118.16 119.55 5cha n LYS 93 Ca 0.00 -1.06 -0.44 0.00 -2.02 0.00 0.00 58.31 54.79 5cha n LYS 93 Cb 0.10 -1.48 -0.04 0.00 -0.02 0.00 0.00 35.03 33.60 5cha n LYS 93 CO 0.00 0.00 0.00 0.98 -0.52 0.00 0.00 177.40 177.86 5cha n TYR 94 N 0.09 2.50 -3.57 2.13 9.36 -0.32 -4.73 117.16 122.62 5cha n TYR 94 Ca 0.11 0.11 -0.41 0.00 3.32 0.00 0.00 57.90 61.02 5cha n TYR 94 Cb 0.47 -2.63 -0.10 0.00 -0.63 0.00 0.00 39.34 36.45 5cha n TYR 94 CO 0.00 0.00 0.00 1.21 0.22 0.00 0.00 176.86 178.29 5cha s ASN 95 N 1.49 5.74 0.00 2.98 3.84 -0.88 -4.96 114.94 123.15 5cha s ASN 95 Ca 0.79 -1.41 0.11 0.00 0.21 0.00 0.00 52.86 52.55 5cha s ASN 95 Cb -0.59 -2.02 0.58 0.00 -0.55 0.00 0.00 41.25 38.66 5cha s ASN 95 CO 0.37 -0.54 1.19 -1.54 -2.79 0.00 0.00 177.10 173.79 5cha n SER 96 N 4.98 0.00 -0.11 -4.21 3.41 -1.26 0.62 113.62 117.05 5cha n SER 96 Ca -0.11 -0.01 -0.20 0.00 -0.26 0.00 0.00 58.87 58.29 5cha n SER 96 Cb 0.43 -0.20 -0.08 0.00 -0.26 0.00 0.00 64.21 64.11 5cha n SER 96 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 5cha n LEU 97 N -1.20 1.90 0.11 1.04 4.77 -1.26 -4.49 117.00 117.86 5cha n LEU 97 Ca 0.06 0.42 -0.02 0.00 -0.03 0.00 0.00 56.01 56.44 5cha n LEU 97 Cb 0.07 -0.87 0.00 0.00 -2.33 0.00 0.00 43.42 40.29 5cha n LEU 97 CO 0.08 0.16 0.34 0.74 -1.33 0.00 0.00 177.39 177.37 5cha h THR 98 N -1.00 1.33 -0.24 -5.08 2.02 -1.95 -3.47 112.91 104.53 5cha h THR 98 Ca -0.35 -2.72 -0.10 0.00 0.77 0.00 0.00 66.41 64.01 5cha h THR 98 Cb 1.22 2.55 -0.04 0.00 -1.74 0.00 0.00 68.15 70.14 5cha h THR 98 CO -0.21 0.72 -0.09 -0.38 0.37 0.00 0.00 175.52 175.93 5cha n ILE 99 N -3.37 0.00 -2.68 3.11 2.08 0.20 -5.02 119.36 113.68 5cha n ILE 99 Ca 0.01 0.00 -0.32 0.00 0.56 0.00 0.00 62.75 63.00 5cha n ILE 99 Cb 0.80 -0.82 -0.04 0.00 -0.75 0.00 0.00 39.64 38.82 5cha n ILE 99 CO 0.00 0.00 0.00 0.21 0.56 0.00 0.00 176.55 177.32 5cha s ASN 100 N -2.80 6.69 -0.98 4.38 2.47 -1.21 -3.92 114.94 119.57 5cha s ASN 100 Ca 0.00 1.46 -0.01 0.00 0.42 0.00 0.00 52.86 54.73 5cha s ASN 100 Cb 0.00 -2.46 -0.01 0.00 -1.45 0.00 0.00 41.25 37.33 5cha s ASN 100 CO 0.00 -0.45 0.83 0.59 -3.72 0.00 0.00 177.10 174.35 5cha n ASN 101 N -1.16 -2.66 -4.41 -4.21 3.02 -1.26 -2.06 115.26 102.52 5cha n ASN 101 Ca 0.05 -0.53 -0.43 0.00 -0.03 0.00 0.00 54.58 53.64 5cha n ASN 101 Cb 0.54 -4.39 0.00 0.00 -0.61 0.00 0.00 39.78 35.32 5cha n ASN 101 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 5cha n ASP 102 N -2.81 4.90 -3.75 6.41 4.64 -1.25 -4.13 116.55 120.56 5cha n ASP 102 Ca -0.21 -2.94 -0.13 0.00 -1.38 0.00 0.00 54.79 50.13 5cha n ASP 102 Cb 0.64 -1.68 -0.10 0.00 -1.04 0.00 0.00 41.12 38.94 5cha n ASP 102 CO 0.00 0.00 0.00 -0.51 -0.82 0.00 0.00 177.20 175.87 5cha s ILE 103 N 3.17 0.03 0.02 5.18 2.07 -1.26 -3.72 121.20 126.67 5cha s ILE 103 Ca 0.49 -0.21 0.00 0.00 -1.41 0.00 0.00 60.65 59.52 5cha s ILE 103 Cb 0.04 -0.55 -0.02 0.00 0.13 0.00 0.00 42.46 42.06 5cha s ILE 103 CO 0.04 -0.12 -0.03 -0.89 -1.91 0.00 0.00 174.94 172.03 5cha s THR 104 N -0.51 0.11 -0.05 4.00 2.01 -0.62 -3.19 115.64 117.40 5cha s THR 104 Ca -0.06 -0.74 0.04 0.00 0.31 0.00 0.00 61.69 61.24 5cha s THR 104 Cb -0.04 -0.23 -0.02 0.00 0.01 0.00 0.00 72.50 72.22 5cha s THR 104 CO 0.02 -0.39 -0.16 -0.76 -0.69 0.00 0.00 174.62 172.64 5cha s LEU 105 N -1.17 2.65 -0.24 4.42 1.43 0.37 -1.26 118.68 124.87 5cha s LEU 105 Ca -0.12 -0.23 -0.05 0.00 -1.03 0.00 0.00 54.13 52.69 5cha s LEU 105 Cb -0.08 -1.53 -0.01 0.00 0.03 0.00 0.00 46.19 44.60 5cha s LEU 105 CO -0.01 0.34 0.01 -0.76 0.23 0.00 0.00 176.35 176.17 5cha s LEU 106 N -0.70 3.23 -0.31 1.79 1.43 -0.44 0.59 118.68 124.27 5cha s LEU 106 Ca 0.11 -0.41 -0.17 0.00 -1.03 0.00 0.00 54.13 52.63 5cha s LEU 106 Cb -0.11 -1.82 -0.02 0.00 0.03 0.00 0.00 46.19 44.28 5cha s LEU 106 CO 0.00 -0.06 0.49 -0.75 0.23 0.00 0.00 176.35 176.26 5cha s LYS 107 N 1.52 3.80 -0.06 1.70 2.20 0.11 -1.46 119.74 127.54 5cha s LYS 107 Ca 0.05 -0.00 -0.30 0.00 -0.36 0.00 0.00 55.97 55.36 5cha s LYS 107 Cb -0.15 -3.74 -0.04 0.00 -1.51 0.00 0.00 37.83 32.38 5cha s LYS 107 CO -0.00 -0.51 1.42 -0.51 -0.36 0.00 0.00 175.35 175.39 5cha s LEU 108 N 2.32 4.28 0.23 5.43 1.43 0.60 -0.92 118.68 132.05 5cha s LEU 108 Ca 0.19 2.01 -0.09 0.00 -1.03 0.00 0.00 54.13 55.21 5cha s LEU 108 Cb -0.16 -3.55 0.36 0.00 0.03 0.00 0.00 46.19 42.88 5cha s LEU 108 CO 0.12 -0.78 1.65 -1.28 0.23 0.00 0.00 176.35 176.29 5cha h SER 109 N 8.35 -0.32 -3.29 2.29 0.87 -1.58 -3.37 113.55 116.51 5cha h SER 109 Ca -0.35 0.18 -0.53 0.00 -1.23 0.00 0.00 61.79 59.86 5cha h SER 109 Cb 1.16 0.31 -0.35 0.00 -0.44 0.00 0.00 62.40 63.08 5cha h SER 109 CO 0.93 -0.15 -0.81 0.42 -0.53 0.00 0.00 176.83 176.69 5cha s THR 110 N -6.14 1.12 0.83 2.23 -4.23 -1.26 -4.97 115.64 103.22 5cha s THR 110 Ca -0.13 -0.40 -0.13 0.00 -1.18 0.00 0.00 61.69 59.84 5cha s THR 110 Cb 0.21 -1.07 0.08 0.00 1.34 0.00 0.00 72.50 73.06 5cha s THR 110 CO 0.75 0.37 1.11 0.00 -0.54 0.00 0.00 174.62 176.30 5cha n ALA 111 N 4.40 -0.39 -1.83 3.99 0.00 -1.26 -4.76 120.51 120.66 5cha n ALA 111 Ca -0.18 -0.38 -0.33 0.00 0.00 0.00 0.00 53.44 52.56 5cha n ALA 111 Cb 0.51 -2.19 -0.07 0.00 0.00 0.00 0.00 19.45 17.70 5cha n ALA 111 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 5cha s ALA 112 N -2.21 3.05 -0.37 0.00 0.00 0.23 -4.99 121.76 117.47 5cha s ALA 112 Ca 0.71 0.38 -0.10 0.00 0.00 0.00 0.00 51.96 52.96 5cha s ALA 112 Cb -0.28 -3.14 0.04 0.00 0.00 0.00 0.00 23.12 19.74 5cha s ALA 112 CO 0.53 0.12 0.18 -1.12 0.00 0.00 0.00 175.76 175.48 5cha s SER 113 N -2.22 5.61 0.50 0.00 0.01 -1.26 -4.79 113.70 111.55 5cha s SER 113 Ca 0.62 -1.08 -0.23 0.00 1.31 0.00 0.00 55.95 56.57 5cha s SER 113 Cb -0.09 -1.98 -0.06 0.00 0.21 0.00 0.00 66.02 64.10 5cha s SER 113 CO 0.14 -0.38 1.30 -0.36 0.41 0.00 0.00 173.24 174.35 5cha s PHE 114 N 1.50 2.53 0.04 2.43 0.40 -1.26 -4.77 117.98 118.86 5cha s PHE 114 Ca 0.01 1.41 -0.02 0.00 -0.60 0.00 0.00 56.93 57.74 5cha s PHE 114 Cb -0.20 -3.68 0.01 0.00 0.51 0.00 0.00 43.02 39.67 5cha s PHE 114 CO 0.05 -2.41 0.09 0.45 0.70 0.00 0.00 175.22 174.10 5cha n SER 115 N -0.67 -0.26 -0.03 1.36 2.88 0.26 -4.89 113.62 112.27 5cha n SER 115 Ca 0.08 -1.17 0.07 0.00 -1.33 0.00 0.00 58.87 56.52 5cha n SER 115 Cb 0.45 0.43 0.46 0.00 -0.75 0.00 0.00 64.21 64.80 5cha n SER 115 CO 0.00 0.00 0.00 1.56 -1.23 0.00 0.00 175.04 175.37 5cha h GLN 116 N 0.00 0.47 0.00 -1.46 7.50 -1.98 -2.70 115.11 116.95 5cha h GLN 116 Ca -0.04 -0.03 0.00 0.00 0.50 0.00 0.00 58.65 59.08 5cha h GLN 116 Cb 0.14 -0.11 0.00 0.00 0.05 0.00 0.00 27.48 27.56 5cha h GLN 116 CO 0.05 0.31 -0.92 0.25 -1.50 0.00 0.00 178.83 177.02 5cha n THR 117 N -4.48 0.00 -4.54 -0.54 -2.24 -1.26 -4.93 114.28 96.29 5cha n THR 117 Ca 0.06 -0.07 -0.25 0.00 -2.27 0.00 0.00 64.05 61.51 5cha n THR 117 Cb 0.19 0.96 -0.17 0.00 -2.10 0.00 0.00 70.33 69.22 5cha n THR 117 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 5cha s VAL 118 N -2.78 1.17 0.05 2.28 1.01 -1.02 -4.47 120.40 116.63 5cha s VAL 118 Ca 0.06 -0.49 -0.28 0.00 0.00 0.00 0.00 61.98 61.28 5cha s VAL 118 Cb 0.14 -1.08 0.10 0.00 0.00 0.00 0.00 36.38 35.54 5cha s VAL 118 CO 0.77 0.37 1.18 -0.44 0.00 0.00 0.00 175.10 176.97 5cha s SER 119 N 0.76 -0.08 0.21 3.32 0.01 -1.10 -0.58 113.70 116.24 5cha s SER 119 Ca -0.13 -0.26 -0.02 0.00 1.31 0.00 0.00 55.95 56.85 5cha s SER 119 Cb -0.16 0.28 -0.05 0.00 0.21 0.00 0.00 66.02 66.30 5cha s SER 119 CO 0.03 -0.52 0.41 0.00 0.41 0.00 0.00 173.24 173.57 5cha s ALA 120 N -2.59 3.79 0.36 1.44 0.00 -1.26 -2.19 121.76 121.31 5cha s ALA 120 Ca 0.16 -0.74 -0.03 0.00 0.00 0.00 0.00 51.96 51.34 5cha s ALA 120 Cb 0.02 -2.06 -0.04 0.00 0.00 0.00 0.00 23.12 21.04 5cha s ALA 120 CO -0.01 0.44 0.62 0.54 0.00 0.00 0.00 175.76 177.34 5cha s VAL 121 N -1.87 5.02 0.33 0.00 0.11 -0.80 -4.87 120.40 118.33 5cha s VAL 121 Ca 0.40 -0.10 -0.08 0.00 -2.93 0.00 0.00 61.98 59.26 5cha s VAL 121 Cb -0.11 -3.82 -0.06 0.00 -1.53 0.00 0.00 36.38 30.86 5cha s VAL 121 CO 0.28 -0.56 0.65 0.00 -3.33 0.00 0.00 175.10 172.15 5cha s LEU 123 N -3.58 3.74 1.04 0.00 1.43 -1.26 -5.12 118.68 114.94 5cha s LEU 123 Ca 0.48 0.13 -0.18 0.00 -1.03 0.00 0.00 54.13 53.53 5cha s LEU 123 Cb -0.11 -1.91 0.24 0.00 0.03 0.00 0.00 46.19 44.45 5cha s LEU 123 CO 0.29 0.28 1.32 -2.16 0.23 0.00 0.00 176.35 176.30 5cha s PRO 124 N -0.25 0.01 0.17 1.29 0.04 -1.26 -5.08 135.00 129.92 5cha s PRO 124 Ca 0.07 -0.48 0.05 0.00 0.04 0.00 0.00 61.00 60.69 5cha s PRO 124 Cb -0.12 -1.78 -0.04 0.00 0.04 0.00 0.00 34.50 32.60 5cha s PRO 124 CO 0.02 -2.83 0.14 0.45 0.04 0.00 0.00 177.00 174.82 5cha s SER 125 N -4.81 5.50 0.43 6.66 0.15 -1.26 -5.03 113.70 115.35 5cha s SER 125 Ca 0.76 -0.15 0.15 0.00 0.70 0.00 0.00 55.95 57.41 5cha s SER 125 Cb -0.03 -1.43 1.05 0.00 -1.71 0.00 0.00 66.02 63.90 5cha s SER 125 CO 0.54 0.06 1.96 0.00 1.20 0.00 0.00 173.24 177.00 5cha h ALA 126 N 2.32 2.06 -0.29 5.45 0.00 -2.08 -1.54 119.26 125.18 5cha h ALA 126 Ca -0.48 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.43 5cha h ALA 126 Cb 1.20 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.92 5cha h ALA 126 CO 0.63 -0.22 0.00 -1.13 0.00 0.00 0.00 179.25 178.52 5cha n SER 127 N -4.47 2.27 -4.79 0.00 3.41 -1.26 -4.96 113.62 103.82 5cha n SER 127 Ca 0.11 -1.85 -0.33 0.00 -0.26 0.00 0.00 58.87 56.55 5cha n SER 127 Cb 0.44 -0.19 0.02 0.00 -0.26 0.00 0.00 64.21 64.22 5cha n SER 127 CO 0.00 0.00 0.00 1.51 -0.16 0.00 0.00 175.04 176.39 5cha s ASP 128 N -1.41 5.62 -0.23 4.04 3.84 -0.58 -5.04 116.67 122.92 5cha s ASP 128 Ca 0.33 1.86 -0.00 0.00 -0.00 0.00 0.00 52.55 54.74 5cha s ASP 128 Cb 0.18 -2.54 0.06 0.00 -1.38 0.00 0.00 42.92 39.25 5cha s ASP 128 CO 0.26 -1.28 -0.03 -0.62 -0.00 0.00 0.00 175.17 173.51 5cha s ASP 129 N -2.73 3.65 -0.32 2.11 2.15 -1.26 -5.01 116.67 115.26 5cha s ASP 129 Ca 0.64 -1.12 -0.11 0.00 0.43 0.00 0.00 52.55 52.40 5cha s ASP 129 Cb -0.17 -1.05 -0.01 0.00 -0.30 0.00 0.00 42.92 41.39 5cha s ASP 129 CO 0.38 -0.26 0.18 -0.36 -0.17 0.00 0.00 175.17 174.94 5cha s PHE 130 N 1.50 3.19 0.45 -5.34 0.40 -1.26 -5.07 117.98 111.85 5cha s PHE 130 Ca -0.04 -0.48 -0.19 0.00 -0.60 0.00 0.00 56.93 55.62 5cha s PHE 130 Cb -0.18 -2.39 -0.10 0.00 0.51 0.00 0.00 43.02 40.86 5cha s PHE 130 CO -0.07 -0.43 0.93 0.00 0.70 0.00 0.00 175.22 176.35 5cha s ALA 131 N 1.64 3.09 0.22 5.36 0.00 -1.26 -4.98 121.76 125.83 5cha s ALA 131 Ca 0.05 0.27 -0.32 0.00 0.00 0.00 0.00 51.96 51.96 5cha s ALA 131 Cb -0.17 -3.08 -0.12 0.00 0.00 0.00 0.00 23.12 19.74 5cha s ALA 131 CO 0.07 0.03 1.64 0.00 0.00 0.00 0.00 175.76 177.50 5cha n ALA 132 N -0.95 2.33 0.00 0.00 0.00 -1.26 -0.81 120.51 119.83 5cha n ALA 132 Ca 0.06 0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.91 5cha n ALA 132 Cb 0.54 -2.46 0.00 0.00 0.00 0.00 0.00 19.45 17.53 5cha n ALA 132 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 5cha n GLY 133 N 3.34 2.52 3.60 0.00 0.00 -1.26 -5.05 105.19 108.34 5cha n GLY 133 Ca 0.14 0.00 -0.49 0.00 0.00 0.00 0.00 46.02 45.67 5cha n GLY 133 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 5cha n THR 134 N -0.66 0.55 -2.77 2.61 -1.04 0.01 -4.91 114.28 108.07 5cha n THR 134 Ca 0.00 -0.14 -0.43 0.00 -2.04 0.00 0.00 64.05 61.44 5cha n THR 134 Cb 0.00 -0.97 -0.04 0.00 -1.82 0.00 0.00 70.33 67.51 5cha n THR 134 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 5cha s THR 135 N 0.12 4.45 0.49 12.58 2.01 -1.26 -5.04 115.64 129.00 5cha s THR 135 Ca 0.77 0.98 0.05 0.00 0.31 0.00 0.00 61.69 63.79 5cha s THR 135 Cb -0.85 -4.44 -0.00 0.00 0.01 0.00 0.00 72.50 67.22 5cha s THR 135 CO 0.49 -0.78 0.23 0.00 -0.69 0.00 0.00 174.62 173.87 5cha s VAL 137 N -2.74 0.77 0.13 0.00 1.01 -1.26 -5.15 120.40 113.16 5cha s VAL 137 Ca 0.29 -0.39 0.09 0.00 0.00 0.00 0.00 61.98 61.97 5cha s VAL 137 Cb 0.01 -0.67 -0.04 0.00 0.00 0.00 0.00 36.38 35.68 5cha s VAL 137 CO 0.17 0.23 -0.21 0.28 0.00 0.00 0.00 175.10 175.57 5cha s THR 138 N -0.03 1.87 0.17 3.92 -1.32 -1.26 -5.16 115.64 113.84 5cha s THR 138 Ca 0.01 -1.71 0.02 0.00 -1.21 0.00 0.00 61.69 58.80 5cha s THR 138 Cb -0.06 -1.74 -0.05 0.00 -1.51 0.00 0.00 72.50 69.14 5cha s THR 138 CO 0.00 -0.11 -0.02 0.42 -2.21 0.00 0.00 174.62 172.70 5cha s THR 139 N -1.43 0.81 0.00 5.08 -4.23 -1.26 -5.10 115.64 109.51 5cha s THR 139 Ca 0.11 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.62 5cha s THR 139 Cb -0.09 -2.08 0.00 0.00 1.34 0.00 0.00 72.50 71.67 5cha s THR 139 CO 0.06 -0.52 0.00 0.61 -0.54 0.00 0.00 174.62 174.22 5cha n GLY 140 N -0.25 0.29 1.13 3.99 0.00 -1.26 -4.98 105.19 104.11 5cha n GLY 140 Ca -0.07 -1.31 0.03 0.00 0.00 0.00 0.00 46.02 44.67 5cha n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 5cha n TRP 141 N -1.11 1.22 -1.80 1.61 8.01 -1.26 -4.68 117.44 119.43 5cha n TRP 141 Ca 0.00 -1.09 -0.29 0.00 -1.31 0.00 0.00 57.50 54.81 5cha n TRP 141 Cb 0.00 -0.42 0.10 0.00 -2.01 0.00 0.00 31.31 28.98 5cha n TRP 141 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.69 176.88 5cha s GLY 142 N -1.93 1.59 0.37 6.99 0.00 -1.26 -4.93 107.32 108.14 5cha s GLY 142 Ca 0.45 -0.60 -0.24 0.00 0.00 0.00 0.00 44.72 44.32 5cha s GLY 142 CO 0.08 -0.10 0.65 1.04 0.00 0.00 0.00 173.10 174.76 5cha n LEU 143 N -3.42 0.24 -0.13 0.66 4.77 -1.26 -3.05 117.00 114.81 5cha n LEU 143 Ca 0.08 0.99 0.11 0.00 -0.03 0.00 0.00 56.01 57.16 5cha n LEU 143 Cb 0.60 -1.13 0.11 0.00 -2.33 0.00 0.00 43.42 40.67 5cha n LEU 143 CO 0.57 -2.57 0.30 0.35 -1.33 0.00 0.00 177.39 174.71 5cha n THR 144 N -0.53 0.00 -3.68 -5.08 -2.24 -1.25 -2.14 114.28 99.37 5cha n THR 144 Ca 0.12 -0.07 -0.11 0.00 -2.27 0.00 0.00 64.05 61.72 5cha n THR 144 Cb 0.36 0.70 -0.09 0.00 -2.10 0.00 0.00 70.33 69.20 5cha n THR 144 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 5cha s ARG 145 N -2.82 0.57 0.00 -0.78 3.52 -1.26 -4.21 118.95 113.96 5cha s ARG 145 Ca 0.14 0.84 0.00 0.00 -0.13 0.00 0.00 55.73 56.58 5cha s ARG 145 Cb 0.17 0.17 0.00 0.00 -1.56 0.00 0.00 34.95 33.74 5cha s ARG 145 CO 0.70 -0.11 0.36 0.98 -0.81 0.00 0.00 175.30 176.42