#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3did h PRO 11 N 0.00 0.30 -3.26 0.00 0.13 -1.90 -3.42 132.00 123.85 3did h PRO 11 Ca 0.00 -0.02 -0.33 0.00 -0.87 0.00 0.00 66.00 64.78 3did h PRO 11 Cb 0.00 -0.07 -0.37 0.00 0.13 0.00 0.00 31.00 30.69 3did h PRO 11 CO 0.00 0.20 -0.70 -1.17 -0.23 0.00 0.00 178.00 176.10 3did s LEU 12 N -9.23 0.21 0.03 1.56 2.96 -1.26 -0.90 118.68 112.05 3did s LEU 12 Ca -0.07 0.16 0.06 0.00 -0.22 0.00 0.00 54.13 54.07 3did s LEU 12 Cb 0.19 0.02 -0.02 0.00 0.50 0.00 0.00 46.19 46.88 3did s LEU 12 CO 0.73 -0.23 -0.18 -0.32 -1.32 0.00 0.00 176.35 175.03 3did s MET 13 N 2.03 1.28 -0.08 1.98 -2.45 -0.46 -4.40 119.30 117.20 3did s MET 13 Ca 0.02 -0.81 0.04 0.00 -1.25 0.00 0.00 55.69 53.70 3did s MET 13 Cb -0.12 -1.33 -0.01 0.00 1.25 0.00 0.00 34.83 34.62 3did s MET 13 CO -0.04 0.34 -0.23 0.08 1.05 0.00 0.00 175.02 176.22 3did s VAL 14 N -0.70 2.18 -0.05 10.11 1.01 -1.07 -1.50 120.40 130.37 3did s VAL 14 Ca 0.06 -1.00 0.05 0.00 0.00 0.00 0.00 61.98 61.09 3did s VAL 14 Cb -0.08 -1.82 -0.02 0.00 0.00 0.00 0.00 36.38 34.46 3did s VAL 14 CO 0.01 0.56 -0.18 -0.75 0.00 0.00 0.00 175.10 174.74 3did s LYS 15 N 0.09 2.50 -0.11 2.72 2.20 -0.51 -0.85 119.74 125.78 3did s LYS 15 Ca -0.11 -0.78 -0.01 0.00 -0.36 0.00 0.00 55.97 54.72 3did s LYS 15 Cb -0.16 -2.29 0.03 0.00 -1.51 0.00 0.00 37.83 33.90 3did s LYS 15 CO 0.06 0.54 -0.06 0.08 -0.36 0.00 0.00 175.35 175.62 3did s VAL 16 N -0.53 0.87 -0.04 4.02 1.01 -0.42 -1.54 120.40 123.78 3did s VAL 16 Ca 0.07 -0.22 0.00 0.00 0.00 0.00 0.00 61.98 61.84 3did s VAL 16 Cb -0.11 -0.94 -0.03 0.00 0.00 0.00 0.00 36.38 35.29 3did s VAL 16 CO 0.01 0.32 -0.01 -0.76 0.00 0.00 0.00 175.10 174.66 3did s LEU 17 N 1.77 3.48 -0.53 3.92 1.43 -0.65 -1.87 118.68 126.23 3did s LEU 17 Ca 0.05 0.04 -0.21 0.00 -1.03 0.00 0.00 54.13 52.97 3did s LEU 17 Cb -0.13 -1.90 0.05 0.00 0.03 0.00 0.00 46.19 44.24 3did s LEU 17 CO -0.08 0.32 0.77 -0.62 0.23 0.00 0.00 176.35 176.98 3did s ASP 18 N -1.23 6.27 0.14 2.29 -1.08 -0.42 -1.48 116.67 121.17 3did s ASP 18 Ca 0.16 -0.67 0.25 0.00 -0.52 0.00 0.00 52.55 51.78 3did s ASP 18 Cb -0.11 -2.36 0.93 0.00 -1.46 0.00 0.00 42.92 39.92 3did s ASP 18 CO 0.06 -1.05 1.77 0.00 0.52 0.00 0.00 175.17 176.47 3did n ALA 19 N 6.77 2.12 -0.01 3.66 0.00 -0.82 -2.16 120.51 130.08 3did n ALA 19 Ca -0.03 -0.03 -0.20 0.00 0.00 0.00 0.00 53.44 53.19 3did n ALA 19 Cb 0.46 -1.43 -0.14 0.00 0.00 0.00 0.00 19.45 18.35 3did n ALA 19 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3did h VAL 20 N 0.00 1.25 -0.01 0.00 2.07 -1.93 -3.39 116.25 114.24 3did h VAL 20 Ca 0.00 -2.39 0.00 0.00 0.82 0.00 0.00 66.70 65.13 3did h VAL 20 Cb 0.56 2.87 0.00 0.00 -1.52 0.00 0.00 31.29 33.20 3did h VAL 20 CO 0.00 0.63 -0.55 0.54 0.02 0.00 0.00 177.57 178.21 3did n ARG 21 N -4.16 0.68 -3.03 1.57 1.74 -1.24 -5.03 116.66 107.18 3did n ARG 21 Ca -0.21 -0.51 -0.13 0.00 -0.77 0.00 0.00 57.85 56.23 3did n ARG 21 Cb 0.78 -1.49 0.06 0.00 -1.02 0.00 0.00 32.46 30.79 3did n ARG 21 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3did n GLY 22 N 1.43 -0.70 3.47 -0.13 0.00 -0.92 -5.07 105.19 103.28 3did n GLY 22 Ca 0.08 0.35 -0.10 0.00 0.00 0.00 0.00 46.02 46.35 3did n GLY 22 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3did s SER 23 N -3.53 -0.17 0.58 1.61 1.04 -1.13 -5.04 113.70 107.06 3did s SER 23 Ca 0.29 -0.59 -0.20 0.00 0.48 0.00 0.00 55.95 55.93 3did s SER 23 Cb -0.04 0.54 -0.04 0.00 0.10 0.00 0.00 66.02 66.58 3did s SER 23 CO 0.62 -1.01 1.30 -2.16 0.98 0.00 0.00 173.24 172.98 3did s PRO 24 N -3.90 2.99 -0.47 4.02 0.04 -1.26 -1.30 135.00 135.13 3did s PRO 24 Ca 0.11 2.08 -0.23 0.00 0.04 0.00 0.00 61.00 63.00 3did s PRO 24 Cb 0.00 -2.10 0.03 0.00 0.04 0.00 0.00 34.50 32.48 3did s PRO 24 CO -0.02 -1.26 0.81 0.00 0.04 0.00 0.00 177.00 176.57 3did s ALA 25 N -1.39 3.27 -0.16 8.56 0.00 -0.78 -4.65 121.76 126.60 3did s ALA 25 Ca 0.75 -1.05 -0.08 0.00 0.00 0.00 0.00 51.96 51.58 3did s ALA 25 Cb -0.37 -3.51 -0.04 0.00 0.00 0.00 0.00 23.12 19.19 3did s ALA 25 CO 0.42 -2.00 0.12 0.42 0.00 0.00 0.00 175.76 174.72 3did s ILE 26 N 3.38 5.30 -1.35 0.00 1.01 -1.26 -4.36 121.20 123.92 3did s ILE 26 Ca 0.30 0.14 -0.01 0.00 0.00 0.00 0.00 60.65 61.08 3did s ILE 26 Cb -0.12 -3.37 0.00 0.00 0.01 0.00 0.00 42.46 38.98 3did s ILE 26 CO 0.22 0.52 0.15 0.59 0.00 0.00 0.00 174.94 176.42 3did n ASN 27 N 2.91 -4.96 -4.81 3.58 4.13 -0.88 -4.97 115.26 110.25 3did n ASN 27 Ca -0.18 -0.08 -0.38 0.00 1.68 0.00 0.00 54.58 55.62 3did n ASN 27 Cb 0.53 -3.99 -0.06 0.00 -1.54 0.00 0.00 39.78 34.72 3did n ASN 27 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 3did s VAL 28 N -2.89 5.11 0.19 2.41 1.01 -1.26 -4.74 120.40 120.23 3did s VAL 28 Ca 0.08 0.78 -0.30 0.00 0.00 0.00 0.00 61.98 62.53 3did s VAL 28 Cb -0.03 -3.69 -0.08 0.00 0.00 0.00 0.00 36.38 32.57 3did s VAL 28 CO 0.09 0.53 1.23 0.00 0.00 0.00 0.00 175.10 176.96 3did s ALA 29 N -0.68 3.47 -0.11 5.51 0.00 -1.26 -1.63 121.76 127.05 3did s ALA 29 Ca 0.23 1.00 0.01 0.00 0.00 0.00 0.00 51.96 53.20 3did s ALA 29 Cb -0.16 -3.44 0.02 0.00 0.00 0.00 0.00 23.12 19.54 3did s ALA 29 CO 0.11 -0.43 -0.13 0.08 0.00 0.00 0.00 175.76 175.39 3did s VAL 30 N 0.01 1.38 -0.10 0.00 1.01 -0.64 -1.36 120.40 120.70 3did s VAL 30 Ca 0.54 -0.56 0.01 0.00 0.00 0.00 0.00 61.98 61.98 3did s VAL 30 Cb -0.34 -1.29 -0.02 0.00 0.00 0.00 0.00 36.38 34.73 3did s VAL 30 CO 0.37 0.42 -0.14 -1.00 0.00 0.00 0.00 175.10 174.76 3did s HIS 31 N 1.18 2.77 -0.07 5.22 3.76 -0.56 -2.12 115.29 125.47 3did s HIS 31 Ca -0.03 -0.44 0.03 0.00 -0.15 0.00 0.00 55.06 54.47 3did s HIS 31 Cb -0.14 -1.75 -0.02 0.00 1.11 0.00 0.00 32.58 31.77 3did s HIS 31 CO -0.04 -0.05 -0.15 0.08 -0.85 0.00 0.00 174.74 173.74 3did s VAL 32 N -0.10 3.00 0.22 -0.90 1.01 0.63 -1.00 120.40 123.26 3did s VAL 32 Ca -0.02 -0.73 0.09 0.00 0.00 0.00 0.00 61.98 61.32 3did s VAL 32 Cb -0.14 -2.19 -0.05 0.00 0.00 0.00 0.00 36.38 34.01 3did s VAL 32 CO 0.04 0.57 -0.15 -0.36 0.00 0.00 0.00 175.10 175.20 3did s PHE 33 N -0.45 1.84 -0.02 5.22 0.08 -0.43 -0.75 117.98 123.47 3did s PHE 33 Ca 0.06 -0.53 0.06 0.00 0.12 0.00 0.00 56.93 56.63 3did s PHE 33 Cb -0.12 -0.85 -0.01 0.00 -0.57 0.00 0.00 43.02 41.46 3did s PHE 33 CO 0.02 0.43 -0.19 0.50 -0.10 0.00 0.00 175.22 175.88 3did s ARG 34 N -3.62 1.63 -0.04 0.44 3.52 -0.56 -1.64 118.95 118.69 3did s ARG 34 Ca 0.24 -0.68 -0.30 0.00 -0.13 0.00 0.00 55.73 54.87 3did s ARG 34 Cb -0.01 -1.53 -0.05 0.00 -1.56 0.00 0.00 34.95 31.79 3did s ARG 34 CO 0.09 0.38 1.47 0.21 -0.81 0.00 0.00 175.30 176.64 3did s LYS 35 N -0.35 4.24 0.66 5.12 2.20 -0.71 -1.45 119.74 129.45 3did s LYS 35 Ca 0.05 2.01 0.01 0.00 -0.36 0.00 0.00 55.97 57.67 3did s LYS 35 Cb -0.08 -3.73 0.10 0.00 -1.51 0.00 0.00 37.83 32.60 3did s LYS 35 CO -0.00 -0.69 0.92 0.00 -0.36 0.00 0.00 175.35 175.21 3did s ALA 36 N 3.11 3.86 0.28 3.13 0.00 -0.17 -4.82 121.76 127.15 3did s ALA 36 Ca 0.66 -1.67 0.02 0.00 0.00 0.00 0.00 51.96 50.97 3did s ALA 36 Cb -0.31 -1.97 0.68 0.00 0.00 0.00 0.00 23.12 21.52 3did s ALA 36 CO 0.26 -1.21 1.71 0.00 0.00 0.00 0.00 175.76 176.51 3did h ALA 37 N -0.30 1.37 -0.31 0.00 0.00 -1.94 -2.14 119.26 115.94 3did h ALA 37 Ca -0.37 0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.69 3did h ALA 37 Cb 1.28 0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.20 3did h ALA 37 CO 0.43 -0.30 0.00 -0.40 0.00 0.00 0.00 179.25 178.98 3did n ASP 38 N -5.03 2.65 -0.09 0.00 5.68 -1.26 -4.88 116.55 113.62 3did n ASP 38 Ca 0.21 -2.25 -0.01 0.00 -0.50 0.00 0.00 54.79 52.24 3did n ASP 38 Cb 0.61 -0.43 -0.01 0.00 -1.14 0.00 0.00 41.12 40.15 3did n ASP 38 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 3did n ASP 39 N 0.40 -4.27 -4.97 -1.12 9.92 -0.81 -5.04 116.55 110.66 3did n ASP 39 Ca 0.13 0.03 -0.21 0.00 -0.53 0.00 0.00 54.79 54.20 3did n ASP 39 Cb 0.52 -1.87 0.01 0.00 -0.64 0.00 0.00 41.12 39.14 3did n ASP 39 CO 0.00 0.00 0.00 0.42 0.13 0.00 0.00 177.20 177.75 3did s THR 40 N -1.67 3.70 -0.36 -3.53 -4.23 -1.26 -4.81 115.64 103.47 3did s THR 40 Ca 0.00 -0.68 -0.24 0.00 -1.18 0.00 0.00 61.69 59.59 3did s THR 40 Cb 0.00 -3.34 0.01 0.00 1.34 0.00 0.00 72.50 70.51 3did s THR 40 CO 0.00 -0.21 0.80 0.26 -0.54 0.00 0.00 174.62 174.94 3did s TRP 41 N -2.49 3.11 -0.04 3.99 0.52 -1.26 -0.99 118.94 121.77 3did s TRP 41 Ca 0.50 0.59 -0.21 0.00 0.02 0.00 0.00 56.10 57.00 3did s TRP 41 Cb -0.10 -3.43 -0.05 0.00 -1.15 0.00 0.00 33.47 28.74 3did s TRP 41 CO 0.36 -0.74 0.62 -1.83 0.02 0.00 0.00 176.95 175.37 3did s GLU 42 N 3.15 4.37 0.19 4.98 -1.05 -0.53 -4.88 118.70 124.93 3did s GLU 42 Ca 0.32 0.74 -0.33 0.00 -0.15 0.00 0.00 54.97 55.56 3did s GLU 42 Cb -0.13 -3.40 -0.13 0.00 -0.44 0.00 0.00 34.13 30.04 3did s GLU 42 CO 0.17 0.22 1.67 -2.30 0.95 0.00 0.00 175.26 175.97 3did n PRO 43 N 3.26 2.55 -0.03 -4.83 -0.02 -1.26 -1.49 135.00 133.17 3did n PRO 43 Ca -0.05 0.92 -0.07 0.00 -2.02 0.00 0.00 63.50 62.29 3did n PRO 43 Cb 0.51 -2.74 -0.02 0.00 -0.02 0.00 0.00 33.50 31.23 3did n PRO 43 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 3did n PHE 44 N 3.71 0.00 -3.48 6.00 7.35 0.07 -4.85 117.46 126.27 3did n PHE 44 Ca 0.16 0.00 -0.12 0.00 -0.76 0.00 0.00 57.45 56.73 3did n PHE 44 Cb 0.33 -0.22 -0.03 0.00 0.35 0.00 0.00 39.48 39.90 3did n PHE 44 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3did s ALA 45 N -2.12 -1.73 0.11 3.13 0.00 -1.11 -5.03 121.76 115.02 3did s ALA 45 Ca -0.09 0.91 -0.12 0.00 0.00 0.00 0.00 51.96 52.66 3did s ALA 45 Cb 0.03 0.42 0.01 0.00 0.00 0.00 0.00 23.12 23.59 3did s ALA 45 CO 0.11 -0.62 0.30 -1.54 0.00 0.00 0.00 175.76 174.01 3did s SER 46 N -2.19 -0.05 0.00 0.00 1.04 -1.26 -0.27 113.70 110.97 3did s SER 46 Ca -0.01 -0.53 0.00 0.00 0.48 0.00 0.00 55.95 55.90 3did s SER 46 Cb -0.01 0.41 0.00 0.00 0.10 0.00 0.00 66.02 66.53 3did s SER 46 CO -0.06 -0.81 0.00 0.61 0.98 0.00 0.00 173.24 173.97 3did n GLY 47 N -0.15 0.68 3.05 7.32 0.00 -0.90 -4.99 105.19 110.20 3did n GLY 47 Ca -0.15 -0.83 -0.19 0.00 0.00 0.00 0.00 46.02 44.86 3did n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3did s LYS 48 N -1.88 0.78 0.62 1.61 1.02 -1.26 -1.62 119.74 119.00 3did s LYS 48 Ca 0.00 -0.45 -0.18 0.00 0.02 0.00 0.00 55.97 55.36 3did s LYS 48 Cb 0.00 -0.74 -0.02 0.00 -0.52 0.00 0.00 37.83 36.55 3did s LYS 48 CO 0.00 0.20 1.20 0.95 -0.92 0.00 0.00 175.35 176.78 3did s THR 49 N -0.44 2.60 0.83 2.17 -4.23 -0.65 -4.84 115.64 111.09 3did s THR 49 Ca 0.02 0.36 -0.12 0.00 -1.18 0.00 0.00 61.69 60.77 3did s THR 49 Cb -0.05 -3.09 0.19 0.00 1.34 0.00 0.00 72.50 70.89 3did s THR 49 CO 0.00 -0.10 1.13 -1.54 -0.54 0.00 0.00 174.62 173.57 3did n SER 50 N -1.81 0.34 0.30 3.99 3.41 -0.32 -2.08 113.62 117.44 3did n SER 50 Ca 0.13 -1.56 0.20 0.00 -0.26 0.00 0.00 58.87 57.38 3did n SER 50 Cb 0.50 -0.84 1.03 0.00 -0.26 0.00 0.00 64.21 64.64 3did n SER 50 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 3did h GLU 51 N 0.00 0.00 -0.06 4.33 4.39 -1.93 -1.86 114.58 119.45 3did h GLU 51 Ca -0.37 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.33 3did h GLU 51 Cb 1.07 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.72 3did h GLU 51 CO 0.28 0.00 0.00 -1.13 -1.16 0.00 0.00 179.01 177.00 3did n SER 52 N -2.95 1.34 -0.07 1.42 3.41 -1.26 -4.84 113.62 110.67 3did n SER 52 Ca -0.02 -1.51 -0.01 0.00 -0.26 0.00 0.00 58.87 57.07 3did n SER 52 Cb 0.11 -0.03 -0.00 0.00 -0.26 0.00 0.00 64.21 64.03 3did n SER 52 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3did n GLY 53 N 1.13 0.44 3.89 5.00 0.00 -0.70 -4.83 105.19 110.11 3did n GLY 53 Ca 0.18 -0.13 -0.30 0.00 0.00 0.00 0.00 46.02 45.78 3did n GLY 53 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3did s GLU 54 N -0.84 3.29 -0.25 1.61 2.02 -1.26 -1.30 118.70 121.96 3did s GLU 54 Ca 0.00 -0.54 -0.02 0.00 0.02 0.00 0.00 54.97 54.43 3did s GLU 54 Cb 0.00 -2.94 0.08 0.00 0.10 0.00 0.00 34.13 31.37 3did s GLU 54 CO 0.00 0.58 0.06 -1.17 0.02 0.00 0.00 175.26 174.75 3did s LEU 55 N -2.64 1.72 0.37 1.80 2.96 -0.03 -1.18 118.68 121.69 3did s LEU 55 Ca 0.33 -1.23 0.07 0.00 -0.22 0.00 0.00 54.13 53.08 3did s LEU 55 Cb -0.12 -0.75 -0.01 0.00 0.50 0.00 0.00 46.19 45.81 3did s LEU 55 CO 0.27 -0.36 0.47 -1.00 -1.32 0.00 0.00 176.35 174.41 3did s HIS 56 N 1.73 2.93 0.00 5.38 3.76 -1.26 -2.61 115.29 125.22 3did s HIS 56 Ca 0.04 -0.33 0.00 0.00 -0.15 0.00 0.00 55.06 54.62 3did s HIS 56 Cb -0.17 -2.12 0.00 0.00 1.11 0.00 0.00 32.58 31.40 3did s HIS 56 CO -0.17 -0.14 0.00 0.41 -0.85 0.00 0.00 174.74 173.99 3did n GLY 57 N -1.66 0.69 0.26 -2.22 0.00 -1.26 -4.96 105.19 96.04 3did n GLY 57 Ca 0.03 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.02 3did n GLY 57 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3did h LEU 58 N 0.00 0.62 0.00 0.99 3.38 -1.86 -3.47 115.31 114.97 3did h LEU 58 Ca 0.00 0.01 -0.18 0.00 0.09 0.00 0.00 57.88 57.81 3did h LEU 58 Cb 0.00 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 40.59 3did h LEU 58 CO 0.00 0.42 -0.10 1.07 0.09 0.00 0.00 178.44 179.92 3did n THR 59 N -4.73 0.00 -4.35 0.22 5.66 -1.26 -4.82 114.28 105.00 3did n THR 59 Ca 0.07 -1.11 -0.20 0.00 -3.05 0.00 0.00 64.05 59.76 3did n THR 59 Cb 0.12 0.68 -0.11 0.00 -1.55 0.00 0.00 70.33 69.47 3did n THR 59 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 3did s THR 60 N -2.67 1.85 0.26 1.09 -4.23 -1.26 -4.73 115.64 105.95 3did s THR 60 Ca 0.18 -2.10 -0.01 0.00 -1.18 0.00 0.00 61.69 58.58 3did s THR 60 Cb -0.01 -1.97 0.24 0.00 1.34 0.00 0.00 72.50 72.10 3did s THR 60 CO 0.13 -0.45 1.78 -0.08 -0.54 0.00 0.00 174.62 175.46 3did h GLU 61 N 2.85 0.66 -0.26 3.99 4.81 -2.00 -2.13 114.58 122.50 3did h GLU 61 Ca -0.40 -0.04 -0.06 0.00 -0.13 0.00 0.00 59.36 58.73 3did h GLU 61 Cb 1.22 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 30.43 3did h GLU 61 CO 0.57 0.44 -0.09 1.49 -0.73 0.00 0.00 179.01 180.68 3did h GLU 62 N 0.68 0.41 0.00 1.92 4.81 -2.05 -3.13 114.58 117.23 3did h GLU 62 Ca 0.45 -0.10 -0.04 0.00 -0.13 0.00 0.00 59.36 59.54 3did h GLU 62 Cb 0.59 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.91 3did h GLU 62 CO -0.33 0.52 -0.18 0.93 -0.73 0.00 0.00 179.01 179.21 3did h GLU 63 N 0.39 0.00 -3.37 1.92 5.08 -1.81 -3.41 114.58 113.38 3did h GLU 63 Ca 0.08 0.00 -0.78 0.00 -1.00 0.00 0.00 59.36 57.66 3did h GLU 63 Cb 0.41 0.00 -0.23 0.00 0.50 0.00 0.00 28.75 29.43 3did h GLU 63 CO 0.02 0.18 1.23 0.34 -1.00 0.00 0.00 179.01 179.78 3did n PHE 64 N -3.17 3.11 -1.77 4.33 7.35 -0.88 -4.98 117.46 121.45 3did n PHE 64 Ca 0.03 -2.89 -0.30 0.00 -0.76 0.00 0.00 57.45 53.54 3did n PHE 64 Cb 0.57 -1.64 0.08 0.00 0.35 0.00 0.00 39.48 38.85 3did n PHE 64 CO 0.00 0.00 0.00 0.14 -0.76 0.00 0.00 176.76 176.14 3did s VAL 65 N -1.11 2.74 0.51 -2.13 -7.23 -1.26 -4.98 120.40 106.93 3did s VAL 65 Ca 0.35 0.24 -0.21 0.00 -1.81 0.00 0.00 61.98 60.54 3did s VAL 65 Cb 0.04 -3.15 -0.07 0.00 0.56 0.00 0.00 36.38 33.76 3did s VAL 65 CO 0.04 -0.31 1.03 -0.62 -0.31 0.00 0.00 175.10 174.93 3did n GLU 66 N -3.30 1.23 -3.91 4.82 1.02 -1.26 -4.94 120.64 114.30 3did n GLU 66 Ca 0.07 0.45 0.00 0.00 -0.02 0.00 0.00 57.16 57.67 3did n GLU 66 Cb 0.58 -2.17 0.00 0.00 -0.02 0.00 0.00 31.44 29.83 3did n GLU 66 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3did n GLY 67 N 1.17 -1.19 3.39 0.62 0.00 -0.86 -5.00 105.19 103.31 3did n GLY 67 Ca 0.11 -1.23 -0.34 0.00 0.00 0.00 0.00 46.02 44.56 3did n GLY 67 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3did s ILE 68 N -2.98 3.37 0.06 -0.61 1.01 -1.26 -1.00 121.20 119.79 3did s ILE 68 Ca 0.00 -0.53 0.09 0.00 0.00 0.00 0.00 60.65 60.21 3did s ILE 68 Cb 0.00 -2.47 -0.03 0.00 0.01 0.00 0.00 42.46 39.97 3did s ILE 68 CO 0.00 0.49 -0.24 -0.31 0.00 0.00 0.00 174.94 174.88 3did s TYR 69 N 0.69 2.08 -0.07 3.97 2.02 -0.35 -1.75 117.35 123.94 3did s TYR 69 Ca -0.04 -0.39 0.05 0.00 -0.37 0.00 0.00 57.07 56.32 3did s TYR 69 Cb -0.15 -1.23 -0.01 0.00 -0.40 0.00 0.00 41.96 40.18 3did s TYR 69 CO 0.02 0.14 -0.24 0.21 -1.57 0.00 0.00 175.55 174.11 3did s LYS 70 N -1.35 2.69 -0.27 -0.62 2.20 -0.65 -1.72 119.74 120.02 3did s LYS 70 Ca 0.10 -0.87 -0.06 0.00 -0.36 0.00 0.00 55.97 54.78 3did s LYS 70 Cb -0.10 -2.17 0.01 0.00 -1.51 0.00 0.00 37.83 34.06 3did s LYS 70 CO 0.03 0.29 0.04 0.08 -0.36 0.00 0.00 175.35 175.43 3did s VAL 71 N 0.06 3.76 -0.26 4.02 1.01 -0.51 -1.32 120.40 127.15 3did s VAL 71 Ca -0.10 -0.67 -0.09 0.00 0.00 0.00 0.00 61.98 61.13 3did s VAL 71 Cb -0.15 -2.89 -0.03 0.00 0.00 0.00 0.00 36.38 33.30 3did s VAL 71 CO 0.06 0.16 0.12 -0.70 0.00 0.00 0.00 175.10 174.74 3did s GLU 72 N 1.48 3.73 -0.19 2.72 2.12 -0.17 -1.74 118.70 126.65 3did s GLU 72 Ca 0.03 -0.44 -0.05 0.00 0.36 0.00 0.00 54.97 54.86 3did s GLU 72 Cb -0.17 -3.45 -0.03 0.00 0.26 0.00 0.00 34.13 30.74 3did s GLU 72 CO 0.01 -0.20 0.01 0.42 -0.54 0.00 0.00 175.26 174.95 3did s ILE 73 N 1.66 4.11 -0.20 -3.70 1.01 0.04 -1.50 121.20 122.62 3did s ILE 73 Ca 0.06 -0.27 -0.29 0.00 0.00 0.00 0.00 60.65 60.16 3did s ILE 73 Cb -0.16 -2.85 0.00 0.00 0.01 0.00 0.00 42.46 39.47 3did s ILE 73 CO 0.06 0.44 1.02 -1.81 0.00 0.00 0.00 174.94 174.66 3did s ASP 74 N 0.77 7.12 -0.06 3.58 1.11 -0.46 -1.62 116.67 127.11 3did s ASP 74 Ca 0.01 1.40 0.08 0.00 0.18 0.00 0.00 52.55 54.22 3did s ASP 74 Cb -0.14 -2.54 0.12 0.00 1.07 0.00 0.00 42.92 41.43 3did s ASP 74 CO 0.02 -0.62 1.04 0.35 1.18 0.00 0.00 175.17 177.15 3did n THR 75 N 5.15 1.30 -0.25 -1.27 -2.24 -0.82 -4.70 114.28 111.44 3did n THR 75 Ca 0.11 -1.46 0.04 0.00 -2.27 0.00 0.00 64.05 60.48 3did n THR 75 Cb 0.47 0.21 0.28 0.00 -2.10 0.00 0.00 70.33 69.18 3did n THR 75 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 3did h LYS 76 N 0.00 0.90 0.00 -0.78 3.64 -1.81 -3.27 116.57 115.25 3did h LYS 76 Ca 0.00 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 3did h LYS 76 Cb 0.77 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 32.38 3did h LYS 76 CO 0.00 0.60 0.00 0.43 -2.27 0.00 0.00 179.45 178.21 3did n SER 77 N -4.48 1.07 0.24 4.20 7.64 -1.26 -4.81 113.62 116.23 3did n SER 77 Ca 0.12 -1.51 0.07 0.00 1.01 0.00 0.00 58.87 58.56 3did n SER 77 Cb 0.19 0.00 0.58 0.00 -1.01 0.00 0.00 64.21 63.97 3did n SER 77 CO 0.00 0.00 0.00 0.22 -3.01 0.00 0.00 175.04 172.25 3did h TYR 78 N 0.00 0.00 -0.54 1.43 3.20 -1.88 -2.68 116.97 116.49 3did h TYR 78 Ca 0.00 0.00 -0.38 0.00 3.14 0.00 0.00 58.73 61.49 3did h TYR 78 Cb 0.68 0.00 -0.26 0.00 1.54 0.00 0.00 36.73 38.69 3did h TYR 78 CO 0.00 0.12 -0.41 0.91 -1.64 0.00 0.00 178.16 177.15 3did n TRP 79 N -4.27 1.90 0.00 -3.82 8.01 -1.26 -4.72 117.44 113.28 3did n TRP 79 Ca -0.03 -2.04 -0.05 0.00 -1.31 0.00 0.00 57.50 54.08 3did n TRP 79 Cb 0.20 -0.48 0.17 0.00 -2.01 0.00 0.00 31.31 29.18 3did n TRP 79 CO 0.00 0.00 0.00 -0.22 -1.01 0.00 0.00 177.69 176.46 3did h LYS 80 N 1.67 0.52 0.00 -0.99 1.63 -1.70 -2.84 116.57 114.87 3did h LYS 80 Ca 0.29 -0.22 -0.01 0.00 -0.85 0.00 0.00 60.65 59.86 3did h LYS 80 Cb 1.38 -0.02 -0.00 0.00 -0.60 0.00 0.00 32.23 32.99 3did h LYS 80 CO 0.62 0.76 -0.06 0.00 -3.45 0.00 0.00 179.45 177.33 3did h ALA 81 N 1.23 1.02 0.00 5.00 0.00 -1.84 -0.16 119.26 124.51 3did h ALA 81 Ca 0.06 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.84 3did h ALA 81 Cb 0.74 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 3did h ALA 81 CO 0.06 0.07 -0.37 1.25 0.00 0.00 0.00 179.25 180.27 3did h LEU 82 N 0.00 0.00 0.29 0.00 5.85 -1.85 -3.48 115.31 116.13 3did h LEU 82 Ca -0.00 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.67 3did h LEU 82 Cb 0.54 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.57 3did h LEU 82 CO 0.01 0.37 -0.06 0.61 -0.34 0.00 0.00 178.44 179.03 3did n GLY 83 N 0.35 0.31 2.98 3.75 0.00 -0.07 -5.06 105.19 107.45 3did n GLY 83 Ca 0.00 -0.82 -0.21 0.00 0.00 0.00 0.00 46.02 44.99 3did n GLY 83 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3did s ILE 84 N -2.11 0.79 -0.06 -0.61 1.01 -1.19 -5.09 121.20 113.94 3did s ILE 84 Ca 0.00 -0.33 -0.19 0.00 0.00 0.00 0.00 60.65 60.12 3did s ILE 84 Cb 0.00 -0.72 -0.05 0.00 0.01 0.00 0.00 42.46 41.70 3did s ILE 84 CO 0.00 0.26 0.54 -0.94 0.00 0.00 0.00 174.94 174.79 3did s SER 85 N 0.39 6.83 0.93 3.58 1.04 -1.26 -4.49 113.70 120.71 3did s SER 85 Ca -0.06 0.99 -0.15 0.00 0.48 0.00 0.00 55.95 57.21 3did s SER 85 Cb -0.11 -2.32 0.16 0.00 0.10 0.00 0.00 66.02 63.85 3did s SER 85 CO 0.01 0.05 1.24 -2.16 0.98 0.00 0.00 173.24 173.36 3did s PRO 86 N 0.22 0.96 0.63 4.02 0.04 -1.26 -4.96 135.00 134.65 3did s PRO 86 Ca 0.29 -0.15 0.39 0.00 0.04 0.00 0.00 61.00 61.57 3did s PRO 86 Cb -0.17 -1.86 2.11 0.00 0.04 0.00 0.00 34.50 34.62 3did s PRO 86 CO 0.14 -2.24 2.28 0.00 0.04 0.00 0.00 177.00 177.22 3did h MET 87 N -1.52 0.00 -1.73 4.56 -0.00 -1.67 -3.45 114.93 111.12 3did h MET 87 Ca -0.46 0.00 0.03 0.00 -0.00 0.00 0.00 59.70 59.27 3did h MET 87 Cb 1.28 0.00 -0.21 0.00 -0.00 0.00 0.00 31.60 32.66 3did h MET 87 CO 0.49 0.01 0.41 -1.58 -0.00 0.00 0.00 176.91 176.25 3did s HIS 88 N -4.18 -0.48 -0.47 -0.10 5.65 -1.26 -5.07 115.29 109.38 3did s HIS 88 Ca -0.04 0.81 0.19 0.00 0.25 0.00 0.00 55.06 56.27 3did s HIS 88 Cb 0.13 0.44 0.90 0.00 -1.18 0.00 0.00 32.58 32.86 3did s HIS 88 CO 0.47 -0.44 1.57 -0.85 -0.65 0.00 0.00 174.74 174.83 3did n GLU 89 N 0.79 0.13 -4.26 2.88 0.28 -1.26 -4.76 120.64 114.44 3did n GLU 89 Ca -0.13 0.52 -0.15 0.00 -0.16 0.00 0.00 57.16 57.24 3did n GLU 89 Cb 0.58 -1.83 -0.10 0.00 1.43 0.00 0.00 31.44 31.52 3did n GLU 89 CO 0.00 0.00 0.00 -1.01 -0.16 0.00 0.00 177.13 175.96 3did s HIS 90 N -3.35 1.31 -0.21 -1.84 3.76 -1.26 -1.95 115.29 111.75 3did s HIS 90 Ca 0.01 -0.74 -0.07 0.00 -0.15 0.00 0.00 55.06 54.11 3did s HIS 90 Cb 0.07 -0.66 -0.03 0.00 1.11 0.00 0.00 32.58 33.06 3did s HIS 90 CO 0.24 0.11 0.05 0.00 -0.85 0.00 0.00 174.74 174.29 3did s ALA 91 N -3.29 3.24 -0.08 -1.40 0.00 -0.64 -4.87 121.76 114.72 3did s ALA 91 Ca 0.17 -0.94 0.04 0.00 0.00 0.00 0.00 51.96 51.24 3did s ALA 91 Cb 0.02 -1.95 -0.01 0.00 0.00 0.00 0.00 23.12 21.18 3did s ALA 91 CO 0.01 -0.13 -0.22 -1.21 0.00 0.00 0.00 175.76 174.21 3did s GLU 92 N 0.96 2.78 -0.07 0.00 8.01 -1.26 -0.78 118.70 128.34 3did s GLU 92 Ca 0.03 -0.85 0.01 0.00 0.01 0.00 0.00 54.97 54.18 3did s GLU 92 Cb -0.14 -2.29 0.02 0.00 -4.31 0.00 0.00 34.13 27.41 3did s GLU 92 CO 0.03 0.34 -0.08 0.14 0.01 0.00 0.00 175.26 175.69 3did s VAL 93 N -0.04 0.87 -0.15 2.63 -7.23 -0.71 -5.01 120.40 110.76 3did s VAL 93 Ca -0.06 -0.29 -0.06 0.00 -1.81 0.00 0.00 61.98 59.76 3did s VAL 93 Cb -0.15 -0.85 -0.04 0.00 0.56 0.00 0.00 36.38 35.91 3did s VAL 93 CO 0.05 0.31 0.04 -0.69 -0.31 0.00 0.00 175.10 174.50 3did s VAL 94 N 1.00 4.62 0.03 1.32 1.01 -1.26 -1.43 120.40 125.69 3did s VAL 94 Ca -0.09 -0.10 0.01 0.00 0.00 0.00 0.00 61.98 61.80 3did s VAL 94 Cb -0.15 -3.04 -0.02 0.00 0.00 0.00 0.00 36.38 33.17 3did s VAL 94 CO -0.00 0.51 -0.06 0.72 0.00 0.00 0.00 175.10 176.27 3did s PHE 95 N 0.02 0.50 -0.25 5.22 -0.12 -0.70 -5.02 117.98 117.63 3did s PHE 95 Ca 0.05 -0.51 -0.11 0.00 -0.05 0.00 0.00 56.93 56.30 3did s PHE 95 Cb -0.12 -0.31 -0.05 0.00 -0.63 0.00 0.00 43.02 41.91 3did s PHE 95 CO 0.01 -0.13 0.20 0.99 -0.05 0.00 0.00 175.22 176.24 3did s THR 96 N -1.41 5.33 -0.52 -4.49 2.01 -1.26 -1.21 115.64 114.09 3did s THR 96 Ca -0.12 0.25 -0.18 0.00 0.31 0.00 0.00 61.69 61.94 3did s THR 96 Cb -0.10 -3.54 0.07 0.00 0.01 0.00 0.00 72.50 68.95 3did s THR 96 CO -0.00 0.31 0.59 0.00 -0.69 0.00 0.00 174.62 174.82 3did s ALA 97 N 1.27 3.44 0.57 7.40 0.00 -0.17 -5.00 121.76 129.27 3did s ALA 97 Ca 0.09 -1.95 0.08 0.00 0.00 0.00 0.00 51.96 50.18 3did s ALA 97 Cb -0.14 -3.33 0.08 0.00 0.00 0.00 0.00 23.12 19.73 3did s ALA 97 CO 0.06 -2.02 0.79 -0.80 0.00 0.00 0.00 175.76 173.79 3did s ASN 98 N 2.90 5.08 0.00 0.00 0.02 -1.26 -2.03 114.94 119.65 3did s ASN 98 Ca 0.12 -0.70 0.00 0.00 -1.02 0.00 0.00 52.86 51.26 3did s ASN 98 Cb -0.22 0.09 0.00 0.00 0.02 0.00 0.00 41.25 41.14 3did s ASN 98 CO 0.09 -1.33 0.00 0.47 0.02 0.00 0.00 177.10 176.36 3did n ASP 99 N -2.27 0.00 -0.07 -1.22 8.00 -1.26 -4.88 116.55 114.85 3did n ASP 99 Ca 0.14 0.00 -0.04 0.00 0.71 0.00 0.00 54.79 55.60 3did n ASP 99 Cb 0.61 0.00 -0.16 0.00 -0.02 0.00 0.00 41.12 41.55 3did n ASP 99 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 3did n SER 100 N 0.00 0.08 0.00 -2.24 7.64 -1.26 -4.44 113.62 113.39 3did n SER 100 Ca 0.00 0.03 0.00 0.00 1.01 0.00 0.00 58.87 59.91 3did n SER 100 Cb 0.00 1.16 0.00 0.00 -1.01 0.00 0.00 64.21 64.36 3did n SER 100 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3did n GLY 101 N 1.61 1.36 3.73 0.23 0.00 -1.26 -5.17 105.19 105.68 3did n GLY 101 Ca -0.24 -0.36 -0.41 0.00 0.00 0.00 0.00 46.02 45.01 3did n GLY 101 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3did s PRO 102 N 0.00 4.54 0.25 1.61 0.04 -1.26 -4.96 135.00 135.22 3did s PRO 102 Ca 0.00 1.72 0.07 0.00 0.04 0.00 0.00 61.00 62.83 3did s PRO 102 Cb 0.00 -3.31 -0.05 0.00 0.04 0.00 0.00 34.50 31.18 3did s PRO 102 CO 0.00 -0.03 -0.09 1.03 0.04 0.00 0.00 177.00 177.95 3did s ARG 103 N 0.11 1.48 -0.12 4.56 1.81 -1.26 -4.94 118.95 120.59 3did s ARG 103 Ca 0.52 -1.72 -0.07 0.00 -1.72 0.00 0.00 55.73 52.75 3did s ARG 103 Cb -0.29 -1.15 -0.04 0.00 -0.45 0.00 0.00 34.95 33.02 3did s ARG 103 CO 0.33 0.09 0.13 1.03 -0.68 0.00 0.00 175.30 176.20 3did s ARG 104 N -3.70 3.45 -0.10 3.54 0.52 -0.87 -4.90 118.95 116.89 3did s ARG 104 Ca 0.27 -0.15 0.03 0.00 -0.52 0.00 0.00 55.73 55.36 3did s ARG 104 Cb 0.02 -3.18 -0.01 0.00 0.52 0.00 0.00 34.95 32.30 3did s ARG 104 CO 0.10 0.75 -0.19 0.71 0.02 0.00 0.00 175.30 176.69 3did s TYR 105 N -0.95 2.65 -0.17 -0.53 2.02 -0.08 -1.82 117.35 118.47 3did s TYR 105 Ca 0.15 -0.73 0.00 0.00 -0.37 0.00 0.00 57.07 56.12 3did s TYR 105 Cb -0.12 -1.73 0.01 0.00 -0.40 0.00 0.00 41.96 39.72 3did s TYR 105 CO 0.04 -0.23 -0.17 0.99 -1.57 0.00 0.00 175.55 174.61 3did s THR 106 N 0.12 2.46 -0.32 -0.71 2.01 -0.53 -1.36 115.64 117.31 3did s THR 106 Ca -0.09 -0.82 -0.12 0.00 0.31 0.00 0.00 61.69 60.97 3did s THR 106 Cb -0.15 -2.04 -0.02 0.00 0.01 0.00 0.00 72.50 70.29 3did s THR 106 CO 0.06 0.52 0.21 -0.63 -0.69 0.00 0.00 174.62 174.08 3did s ILE 107 N 1.05 5.10 -0.16 1.82 -1.09 -0.56 -1.04 121.20 126.32 3did s ILE 107 Ca -0.01 -0.19 -0.04 0.00 -2.23 0.00 0.00 60.65 58.17 3did s ILE 107 Cb -0.14 -3.57 -0.03 0.00 -1.58 0.00 0.00 42.46 37.13 3did s ILE 107 CO -0.05 0.07 -0.02 0.00 -1.23 0.00 0.00 174.94 173.71 3did s ALA 108 N 1.70 3.07 -0.07 9.38 0.00 -0.55 -1.42 121.76 133.87 3did s ALA 108 Ca 0.06 -0.80 0.01 0.00 0.00 0.00 0.00 51.96 51.23 3did s ALA 108 Cb -0.17 -1.61 0.02 0.00 0.00 0.00 0.00 23.12 21.36 3did s ALA 108 CO 0.09 0.22 -0.09 0.00 0.00 0.00 0.00 175.76 175.98 3did s ALA 109 N 0.34 1.12 -0.30 0.00 0.00 -0.59 -1.20 121.76 121.13 3did s ALA 109 Ca -0.03 -0.35 -0.05 0.00 0.00 0.00 0.00 51.96 51.53 3did s ALA 109 Cb -0.14 -0.61 0.03 0.00 0.00 0.00 0.00 23.12 22.40 3did s ALA 109 CO 0.03 -0.04 0.05 -1.64 0.00 0.00 0.00 175.76 174.15 3did s MET 110 N 0.97 2.73 -0.12 0.00 -1.94 -0.29 -1.64 119.30 119.01 3did s MET 110 Ca -0.09 -1.09 -0.01 0.00 -1.71 0.00 0.00 55.69 52.79 3did s MET 110 Cb -0.15 -3.30 -0.02 0.00 2.01 0.00 0.00 34.83 33.37 3did s MET 110 CO 0.00 -0.56 -0.09 -0.51 -0.01 0.00 0.00 175.02 173.86 3did s LEU 111 N 1.38 3.00 0.20 -0.03 1.43 -0.55 -2.14 118.68 121.96 3did s LEU 111 Ca -0.01 -0.19 0.08 0.00 -1.03 0.00 0.00 54.13 52.98 3did s LEU 111 Cb -0.19 -1.68 -0.05 0.00 0.03 0.00 0.00 46.19 44.30 3did s LEU 111 CO 0.01 0.22 -0.15 -0.44 0.23 0.00 0.00 176.35 176.21 3did s SER 112 N 0.07 2.58 0.37 2.29 0.01 -1.04 -1.94 113.70 116.04 3did s SER 112 Ca -0.03 -0.99 0.12 0.00 1.31 0.00 0.00 55.95 56.36 3did s SER 112 Cb -0.14 -0.14 0.90 0.00 0.21 0.00 0.00 66.02 66.85 3did s SER 112 CO 0.04 -0.14 1.85 -0.65 0.41 0.00 0.00 173.24 174.74 3did h PRO 113 N 2.70 0.58 -0.02 12.44 0.11 -1.99 -3.17 132.00 142.66 3did h PRO 113 Ca -0.39 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.69 3did h PRO 113 Cb 1.22 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.20 3did h PRO 113 CO 0.60 0.39 0.00 0.66 -0.21 0.00 0.00 178.00 179.43 3did n TYR 114 N -4.58 0.04 -3.83 0.65 4.01 -1.26 -1.59 117.16 110.60 3did n TYR 114 Ca 0.19 -0.80 -0.10 0.00 -0.16 0.00 0.00 57.90 57.04 3did n TYR 114 Cb 0.57 -0.11 -0.06 0.00 -0.31 0.00 0.00 39.34 39.43 3did n TYR 114 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 3did s SER 115 N -2.10 -0.06 -0.11 7.72 0.15 -1.20 -5.02 113.70 113.09 3did s SER 115 Ca 0.20 -0.63 -0.30 0.00 0.70 0.00 0.00 55.95 55.91 3did s SER 115 Cb 0.17 0.45 0.10 0.00 -1.71 0.00 0.00 66.02 65.04 3did s SER 115 CO 0.02 -0.89 0.86 -0.72 1.20 0.00 0.00 173.24 173.71 3did s TYR 116 N -3.89 -0.49 -0.11 3.44 -0.85 -1.26 -2.50 117.35 111.68 3did s TYR 116 Ca 0.10 0.84 0.03 0.00 -0.52 0.00 0.00 57.07 57.51 3did s TYR 116 Cb 0.02 0.43 0.01 0.00 0.38 0.00 0.00 41.96 42.81 3did s TYR 116 CO -0.05 -0.46 -0.19 -1.12 -1.52 0.00 0.00 175.55 172.20 3did s SER 117 N -1.17 2.77 -0.01 -0.18 0.01 -0.91 -5.01 113.70 109.20 3did s SER 117 Ca -0.06 -0.51 0.03 0.00 1.31 0.00 0.00 55.95 56.72 3did s SER 117 Cb -0.00 -1.27 -0.00 0.00 0.21 0.00 0.00 66.02 64.96 3did s SER 117 CO 0.05 0.07 -0.08 -0.89 0.41 0.00 0.00 173.24 172.80 3did s THR 118 N 0.76 0.68 -0.04 1.44 2.01 -1.26 -1.14 115.64 118.10 3did s THR 118 Ca -0.10 -0.36 0.04 0.00 0.31 0.00 0.00 61.69 61.58 3did s THR 118 Cb -0.16 -0.58 -0.00 0.00 0.01 0.00 0.00 72.50 71.77 3did s THR 118 CO 0.01 0.20 -0.14 -0.89 -0.69 0.00 0.00 174.62 173.11 3did s THR 119 N -0.11 1.21 -0.20 -0.82 2.01 -0.34 -5.00 115.64 112.38 3did s THR 119 Ca 0.02 -0.60 -0.06 0.00 0.31 0.00 0.00 61.69 61.36 3did s THR 119 Cb -0.04 -1.05 -0.03 0.00 0.01 0.00 0.00 72.50 71.39 3did s THR 119 CO -0.00 0.36 0.04 0.00 -0.69 0.00 0.00 174.62 174.32 3did s ALA 120 N 0.08 3.18 -0.23 7.40 0.00 -1.26 -1.48 121.76 129.44 3did s ALA 120 Ca -0.03 -0.94 -0.05 0.00 0.00 0.00 0.00 51.96 50.94 3did s ALA 120 Cb -0.10 -1.88 -0.01 0.00 0.00 0.00 0.00 23.12 21.12 3did s ALA 120 CO 0.01 -0.11 -0.01 0.08 0.00 0.00 0.00 175.76 175.74 3did s VAL 121 N 0.92 3.66 -0.18 0.00 1.01 -0.21 -4.98 120.40 120.62 3did s VAL 121 Ca 0.03 -0.41 0.01 0.00 0.00 0.00 0.00 61.98 61.60 3did s VAL 121 Cb -0.14 -2.69 0.02 0.00 0.00 0.00 0.00 36.38 33.57 3did s VAL 121 CO 0.02 0.38 -0.17 -0.69 0.00 0.00 0.00 175.10 174.65 3did s VAL 122 N 1.52 1.90 0.02 2.92 1.01 -1.26 -1.46 120.40 125.04 3did s VAL 122 Ca 0.06 -0.90 0.08 0.00 0.00 0.00 0.00 61.98 61.22 3did s VAL 122 Cb -0.15 -1.77 -0.02 0.00 0.00 0.00 0.00 36.38 34.44 3did s VAL 122 CO -0.01 0.45 -0.25 0.42 0.00 0.00 0.00 175.10 175.71 3did s THR 123 N 1.34 2.02 0.00 3.92 -4.23 -0.76 -4.98 115.64 112.96 3did s THR 123 Ca 0.04 -1.23 0.00 0.00 -1.18 0.00 0.00 61.69 59.31 3did s THR 123 Cb -0.14 -1.71 0.00 0.00 1.34 0.00 0.00 72.50 71.99 3did s THR 123 CO -0.11 0.44 0.00 0.59 -0.54 0.00 0.00 174.62 174.99