#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 0.57 -3.52 0.00 0.11 -1.91 -3.43 132.00 123.82 3did h PRO 11 Ca 0.00 -0.05 -0.32 0.00 0.11 0.00 0.00 66.00 65.74 3did h PRO 11 Cb 0.00 -0.12 -0.35 0.00 0.11 0.00 0.00 31.00 30.64 3did h PRO 11 CO 0.00 0.41 -0.74 -1.17 -0.21 0.00 0.00 178.00 176.30 3did s LEU 12 N -9.44 0.91 0.01 2.35 2.96 -1.26 -1.62 118.68 112.59 3did s LEU 12 Ca -0.08 0.03 0.02 0.00 -0.22 0.00 0.00 54.13 53.88 3did s LEU 12 Cb 0.17 -0.11 -0.01 0.00 0.50 0.00 0.00 46.19 46.74 3did s LEU 12 CO 0.74 -0.15 -0.06 -0.32 -1.32 0.00 0.00 176.35 175.24 3did s MET 13 N 1.28 0.49 -0.09 1.98 -2.45 -0.82 -4.40 119.30 115.29 3did s MET 13 Ca -0.06 -0.33 0.05 0.00 -1.25 0.00 0.00 55.69 54.09 3did s MET 13 Cb -0.13 -0.43 -0.00 0.00 1.25 0.00 0.00 34.83 35.52 3did s MET 13 CO -0.03 0.11 -0.24 0.08 1.05 0.00 0.00 175.02 175.99 3did s VAL 14 N -0.41 2.06 -0.06 10.11 1.01 -1.18 -1.52 120.40 130.41 3did s VAL 14 Ca -0.00 -1.03 0.03 0.00 0.00 0.00 0.00 61.98 60.98 3did s VAL 14 Cb -0.04 -1.77 0.01 0.00 0.00 0.00 0.00 36.38 34.58 3did s VAL 14 CO -0.00 0.56 -0.16 -0.75 0.00 0.00 0.00 175.10 174.76 3did s LYS 15 N 0.20 1.91 -0.08 2.72 2.20 -0.44 -1.24 119.74 125.01 3did s LYS 15 Ca -0.15 -0.55 0.02 0.00 -0.36 0.00 0.00 55.97 54.94 3did s LYS 15 Cb -0.17 -1.57 0.01 0.00 -1.51 0.00 0.00 37.83 34.59 3did s LYS 15 CO 0.08 0.13 -0.15 0.08 -0.36 0.00 0.00 175.35 175.12 3did s VAL 16 N 0.38 1.40 0.11 4.02 1.01 -0.21 -1.12 120.40 125.99 3did s VAL 16 Ca -0.11 -0.62 0.09 0.00 0.00 0.00 0.00 61.98 61.34 3did s VAL 16 Cb -0.14 -1.26 -0.04 0.00 0.00 0.00 0.00 36.38 34.94 3did s VAL 16 CO 0.04 0.42 -0.21 -0.76 0.00 0.00 0.00 175.10 174.58 3did s LEU 17 N 0.68 2.55 -0.44 3.92 1.43 -0.13 -1.97 118.68 124.71 3did s LEU 17 Ca -0.14 -0.60 -0.16 0.00 -1.03 0.00 0.00 54.13 52.20 3did s LEU 17 Cb -0.16 -1.44 0.04 0.00 0.03 0.00 0.00 46.19 44.66 3did s LEU 17 CO 0.04 0.19 0.41 -0.62 0.23 0.00 0.00 176.35 176.60 3did s ASP 18 N -1.98 6.16 0.06 2.29 -1.08 0.50 -1.79 116.67 120.84 3did s ASP 18 Ca 0.16 -0.91 0.28 0.00 -0.52 0.00 0.00 52.55 51.55 3did s ASP 18 Cb -0.10 -2.21 1.06 0.00 -1.46 0.00 0.00 42.92 40.21 3did s ASP 18 CO 0.08 -0.60 1.85 0.00 0.52 0.00 0.00 175.17 177.02 3did n ALA 19 N 5.46 2.39 0.02 3.66 0.00 -0.70 -1.49 120.51 129.85 3did n ALA 19 Ca -0.09 -0.09 -0.21 0.00 0.00 0.00 0.00 53.44 53.05 3did n ALA 19 Cb 0.46 -1.45 -0.14 0.00 0.00 0.00 0.00 19.45 18.32 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 1.24 -0.01 0.00 2.07 -1.93 -3.39 116.25 114.24 3did h VAL 20 Ca 0.00 -2.45 0.00 0.00 0.82 0.00 0.00 66.70 65.07 3did h VAL 20 Cb 0.57 2.92 0.00 0.00 -1.52 0.00 0.00 31.29 33.26 3did h VAL 20 CO 0.00 0.69 -0.70 0.54 0.02 0.00 0.00 177.57 178.13 3did n ARG 21 N -4.04 0.69 -3.05 1.57 1.74 -1.23 -5.01 116.66 107.34 3did n ARG 21 Ca -0.20 -0.57 -0.13 0.00 -0.77 0.00 0.00 57.85 56.17 3did n ARG 21 Cb 0.85 -1.49 0.06 0.00 -1.02 0.00 0.00 32.46 30.87 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 1.45 -0.80 3.25 -0.13 0.00 -0.55 -5.06 105.19 103.35 3did n GLY 22 Ca 0.07 0.41 -0.09 0.00 0.00 0.00 0.00 46.02 46.41 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 -3.46 0.14 0.53 1.61 1.04 -1.07 -5.02 113.70 107.47 3did s SER 23 Ca 0.34 -0.86 -0.21 0.00 0.48 0.00 0.00 55.95 55.70 3did s SER 23 Cb -0.04 0.37 -0.05 0.00 0.10 0.00 0.00 66.02 66.39 3did s SER 23 CO 0.64 -0.79 1.27 -2.16 0.98 0.00 0.00 173.24 173.18 3did s PRO 24 N -3.94 3.29 -0.38 4.02 0.04 -1.26 -0.37 135.00 136.40 3did s PRO 24 Ca 0.13 2.02 -0.19 0.00 0.04 0.00 0.00 61.00 63.00 3did s PRO 24 Cb 0.05 -2.24 0.01 0.00 0.04 0.00 0.00 34.50 32.36 3did s PRO 24 CO -0.04 -1.00 0.56 0.00 0.04 0.00 0.00 177.00 176.55 3did s ALA 25 N -1.43 3.43 -0.07 8.56 0.00 -0.83 -4.62 121.76 126.80 3did s ALA 25 Ca 0.70 -1.10 -0.01 0.00 0.00 0.00 0.00 51.96 51.55 3did s ALA 25 Cb -0.35 -3.12 -0.03 0.00 0.00 0.00 0.00 23.12 19.62 3did s ALA 25 CO 0.41 -1.43 -0.00 0.42 0.00 0.00 0.00 175.76 175.16 3did s ILE 26 N 2.52 4.27 -1.48 0.00 1.01 -1.26 -4.37 121.20 121.89 3did s ILE 26 Ca 0.20 -0.31 -0.07 0.00 0.00 0.00 0.00 60.65 60.46 3did s ILE 26 Cb -0.15 -2.81 0.02 0.00 0.01 0.00 0.00 42.46 39.53 3did s ILE 26 CO 0.15 0.57 0.82 -3.20 0.00 0.00 0.00 174.94 173.28 3did n ASN 27 N 2.01 -5.94 -4.73 3.58 5.15 -0.55 -4.94 115.26 109.84 3did n ASN 27 Ca -0.18 -0.42 -0.38 0.00 -0.60 0.00 0.00 54.58 53.01 3did n ASN 27 Cb 0.53 -4.76 -0.06 0.00 -0.53 0.00 0.00 39.78 34.97 3did n ASN 27 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 3did s VAL 28 N -3.22 5.18 0.40 3.44 1.01 -1.26 -4.76 120.40 121.19 3did s VAL 28 Ca 0.43 0.94 -0.26 0.00 0.00 0.00 0.00 61.98 63.10 3did s VAL 28 Cb -0.20 -3.81 -0.08 0.00 0.00 0.00 0.00 36.38 32.29 3did s VAL 28 CO 0.54 0.34 1.23 0.00 0.00 0.00 0.00 175.10 177.21 3did s ALA 29 N 0.51 3.19 -0.03 5.51 0.00 -1.26 -1.39 121.76 128.29 3did s ALA 29 Ca 0.26 1.09 0.01 0.00 0.00 0.00 0.00 51.96 53.31 3did s ALA 29 Cb -0.15 -3.43 0.02 0.00 0.00 0.00 0.00 23.12 19.55 3did s ALA 29 CO 0.10 -0.67 -0.03 0.08 0.00 0.00 0.00 175.76 175.24 3did s VAL 30 N -1.34 0.36 -0.07 0.00 1.01 -0.52 -1.48 120.40 118.36 3did s VAL 30 Ca 0.57 -0.07 0.04 0.00 0.00 0.00 0.00 61.98 62.52 3did s VAL 30 Cb -0.34 -0.38 -0.02 0.00 0.00 0.00 0.00 36.38 35.64 3did s VAL 30 CO 0.43 0.16 -0.18 -1.00 0.00 0.00 0.00 175.10 174.51 3did s HIS 31 N 0.63 2.62 -0.10 5.22 3.76 -0.27 -2.02 115.29 125.13 3did s HIS 31 Ca -0.07 -0.48 0.01 0.00 -0.15 0.00 0.00 55.06 54.37 3did s HIS 31 Cb -0.10 -1.66 -0.02 0.00 1.11 0.00 0.00 32.58 31.91 3did s HIS 31 CO -0.01 -0.06 -0.13 0.08 -0.85 0.00 0.00 174.74 173.78 3did s VAL 32 N -0.28 3.09 0.15 -0.90 1.01 0.25 -1.10 120.40 122.62 3did s VAL 32 Ca 0.01 -0.68 0.09 0.00 0.00 0.00 0.00 61.98 61.40 3did s VAL 32 Cb -0.13 -2.26 -0.04 0.00 0.00 0.00 0.00 36.38 33.95 3did s VAL 32 CO 0.03 0.55 -0.19 -0.36 0.00 0.00 0.00 175.10 175.13 3did s PHE 33 N -0.13 1.85 -0.04 5.22 0.08 -0.37 -1.12 117.98 123.47 3did s PHE 33 Ca -0.01 -0.45 0.06 0.00 0.12 0.00 0.00 56.93 56.65 3did s PHE 33 Cb -0.14 -0.95 -0.01 0.00 -0.57 0.00 0.00 43.02 41.36 3did s PHE 33 CO 0.03 0.31 -0.22 0.50 -0.10 0.00 0.00 175.22 175.74 3did s ARG 34 N -2.54 2.15 0.06 0.44 3.52 -0.17 -1.52 118.95 120.89 3did s ARG 34 Ca 0.14 -0.79 -0.31 0.00 -0.13 0.00 0.00 55.73 54.64 3did s ARG 34 Cb -0.07 -1.88 -0.07 0.00 -1.56 0.00 0.00 34.95 31.37 3did s ARG 34 CO 0.06 0.36 1.41 0.21 -0.81 0.00 0.00 175.30 176.53 3did s LYS 35 N -0.17 4.30 0.48 5.12 2.47 -0.11 -1.73 119.74 130.10 3did s LYS 35 Ca -0.01 2.04 0.09 0.00 -1.56 0.00 0.00 55.97 56.52 3did s LYS 35 Cb -0.12 -3.42 0.04 0.00 -1.46 0.00 0.00 37.83 32.87 3did s LYS 35 CO 0.02 -0.52 0.65 0.00 0.16 0.00 0.00 175.35 175.66 3did s ALA 36 N 1.79 4.59 0.20 3.13 0.00 -0.45 -4.76 121.76 126.26 3did s ALA 36 Ca 0.65 -1.85 -0.23 0.00 0.00 0.00 0.00 51.96 50.53 3did s ALA 36 Cb -0.34 -1.53 0.11 0.00 0.00 0.00 0.00 23.12 21.36 3did s ALA 36 CO 0.29 -0.50 1.55 0.00 0.00 0.00 0.00 175.76 177.10 3did h ALA 37 N 0.48 -0.13 0.00 0.00 0.00 -1.95 -0.15 119.26 117.50 3did h ALA 37 Ca -0.36 0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.75 3did h ALA 37 Cb 1.28 1.09 0.00 0.00 0.00 0.00 0.00 17.79 20.17 3did h ALA 37 CO 0.44 -0.76 0.00 -0.40 0.00 0.00 0.00 179.25 178.53 3did n ASP 38 N -5.40 0.00 -0.25 0.00 5.68 -1.26 -4.87 116.55 110.46 3did n ASP 38 Ca 0.06 -1.16 -0.03 0.00 -0.50 0.00 0.00 54.79 53.16 3did n ASP 38 Cb 0.35 0.00 -0.01 0.00 -1.14 0.00 0.00 41.12 40.32 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 -0.61 -3.72 -4.94 -1.12 8.00 -0.07 -5.05 116.55 109.03 3did n ASP 39 Ca 0.04 0.08 -0.24 0.00 0.71 0.00 0.00 54.79 55.38 3did n ASP 39 Cb 0.02 -1.51 -0.01 0.00 -0.02 0.00 0.00 41.12 39.60 3did n ASP 39 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 3did s THR 40 N -2.01 5.11 -0.38 -3.53 -4.23 -1.26 -4.83 115.64 104.51 3did s THR 40 Ca 0.00 -0.46 -0.24 0.00 -1.18 0.00 0.00 61.69 59.81 3did s THR 40 Cb 0.00 -3.85 0.01 0.00 1.34 0.00 0.00 72.50 70.00 3did s THR 40 CO 0.00 -0.52 0.82 0.26 -0.54 0.00 0.00 174.62 174.64 3did s TRP 41 N -2.27 3.08 -0.10 3.99 0.52 -1.26 -1.34 118.94 121.55 3did s TRP 41 Ca 0.40 0.55 -0.19 0.00 0.02 0.00 0.00 56.10 56.87 3did s TRP 41 Cb -0.10 -3.52 -0.04 0.00 -1.15 0.00 0.00 33.47 28.66 3did s TRP 41 CO 0.35 -0.81 0.53 -2.00 0.02 0.00 0.00 176.95 175.04 3did s GLU 42 N 3.25 4.36 0.16 4.98 2.12 -0.71 -4.88 118.70 127.98 3did s GLU 42 Ca 0.33 0.55 -0.34 0.00 0.36 0.00 0.00 54.97 55.87 3did s GLU 42 Cb -0.13 -3.44 -0.15 0.00 0.26 0.00 0.00 34.13 30.68 3did s GLU 42 CO 0.19 0.14 1.47 -2.30 -0.54 0.00 0.00 175.26 174.22 3did n PRO 43 N 3.67 1.85 0.00 4.30 -0.02 -1.26 -1.00 135.00 142.54 3did n PRO 43 Ca -0.06 0.66 0.00 0.00 -2.02 0.00 0.00 63.50 62.09 3did n PRO 43 Cb 0.52 -2.37 0.00 0.00 -0.02 0.00 0.00 33.50 31.63 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 2.84 0.00 -3.60 6.00 7.35 -0.28 -4.83 117.46 124.93 3did n PHE 44 Ca 0.16 0.00 -0.05 0.00 -0.76 0.00 0.00 57.45 56.80 3did n PHE 44 Cb 0.27 0.00 -0.03 0.00 0.35 0.00 0.00 39.48 40.07 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 -1.80 -2.06 0.32 3.13 0.00 -1.15 -5.02 121.76 115.18 3did s ALA 45 Ca 0.00 1.67 -0.11 0.00 0.00 0.00 0.00 51.96 53.52 3did s ALA 45 Cb 0.00 -0.58 0.02 0.00 0.00 0.00 0.00 23.12 22.56 3did s ALA 45 CO 0.00 -0.46 0.59 -1.54 0.00 0.00 0.00 175.76 174.35 3did s SER 46 N -1.71 0.24 0.00 0.00 1.04 -1.26 -0.58 113.70 111.43 3did s SER 46 Ca 0.08 -1.13 0.00 0.00 0.48 0.00 0.00 55.95 55.37 3did s SER 46 Cb -0.01 0.70 0.00 0.00 0.10 0.00 0.00 66.02 66.81 3did s SER 46 CO -0.05 -1.37 0.00 0.61 0.98 0.00 0.00 173.24 173.42 3did n GLY 47 N -0.49 -1.52 3.18 7.32 0.00 -0.86 -5.02 105.19 107.81 3did n GLY 47 Ca -0.03 -1.08 -0.21 0.00 0.00 0.00 0.00 46.02 44.69 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 -1.35 1.04 0.66 1.61 1.02 -1.26 -1.43 119.74 120.03 3did s LYS 48 Ca 0.00 -0.83 -0.16 0.00 0.02 0.00 0.00 55.97 55.00 3did s LYS 48 Cb 0.00 -1.09 0.00 0.00 -0.52 0.00 0.00 37.83 36.23 3did s LYS 48 CO 0.00 0.27 1.16 0.95 -0.92 0.00 0.00 175.35 176.81 3did s THR 49 N -0.87 2.81 0.61 2.17 -4.23 -0.49 -4.84 115.64 110.81 3did s THR 49 Ca 0.03 0.41 -0.09 0.00 -1.18 0.00 0.00 61.69 60.86 3did s THR 49 Cb -0.08 -2.99 0.14 0.00 1.34 0.00 0.00 72.50 70.90 3did s THR 49 CO 0.02 -0.20 0.84 -1.54 -0.54 0.00 0.00 174.62 173.20 3did n SER 50 N -2.28 0.20 0.33 3.99 3.41 -0.02 -1.48 113.62 117.77 3did n SER 50 Ca 0.12 -1.38 0.22 0.00 -0.26 0.00 0.00 58.87 57.57 3did n SER 50 Cb 0.51 -0.63 1.18 0.00 -0.26 0.00 0.00 64.21 65.01 3did n SER 50 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 3did h GLU 51 N 0.00 0.00 -0.58 4.33 4.57 -1.95 -1.58 114.58 119.37 3did h GLU 51 Ca -0.27 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.91 3did h GLU 51 Cb 0.78 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.37 3did h GLU 51 CO 0.20 0.00 0.00 -1.13 -1.18 0.00 0.00 179.01 176.91 3did n SER 52 N -3.11 3.43 -0.37 1.04 3.41 -1.26 -4.87 113.62 111.88 3did n SER 52 Ca -0.03 -1.98 -0.05 0.00 -0.26 0.00 0.00 58.87 56.55 3did n SER 52 Cb 0.09 -0.38 -0.02 0.00 -0.26 0.00 0.00 64.21 63.64 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 1.52 0.73 3.69 5.00 0.00 -0.59 -4.86 105.19 110.68 3did n GLY 53 Ca 0.21 -0.46 -0.31 0.00 0.00 0.00 0.00 46.02 45.46 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 -1.95 2.64 -0.19 1.61 2.02 -1.26 -1.04 118.70 120.53 3did s GLU 54 Ca 0.00 -0.76 0.00 0.00 0.02 0.00 0.00 54.97 54.24 3did s GLU 54 Cb 0.00 -2.59 0.04 0.00 0.10 0.00 0.00 34.13 31.69 3did s GLU 54 CO 0.00 0.57 -0.07 -1.17 0.02 0.00 0.00 175.26 174.61 3did s LEU 55 N -2.05 1.97 0.37 1.80 2.96 -0.38 -0.84 118.68 122.52 3did s LEU 55 Ca 0.24 -0.81 0.08 0.00 -0.22 0.00 0.00 54.13 53.42 3did s LEU 55 Cb -0.12 -1.06 -0.03 0.00 0.50 0.00 0.00 46.19 45.48 3did s LEU 55 CO 0.16 -0.17 0.25 -1.00 -1.32 0.00 0.00 176.35 174.27 3did s HIS 56 N 1.52 2.75 -0.69 5.38 3.76 -1.26 -3.08 115.29 123.67 3did s HIS 56 Ca -0.01 -0.42 0.00 0.00 -0.15 0.00 0.00 55.06 54.48 3did s HIS 56 Cb -0.16 -1.88 0.00 0.00 1.11 0.00 0.00 32.58 31.66 3did s HIS 56 CO -0.08 0.15 0.00 0.41 -0.85 0.00 0.00 174.74 174.37 3did n GLY 57 N -1.33 0.77 0.32 -2.22 0.00 -1.26 -4.96 105.19 96.51 3did n GLY 57 Ca -0.01 -0.73 -0.05 0.00 0.00 0.00 0.00 46.02 45.23 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 1.00 -8.41 0.99 3.38 -1.85 -3.48 115.31 106.94 3did h LEU 58 Ca -0.14 -0.11 -0.16 0.00 0.09 0.00 0.00 57.88 57.55 3did h LEU 58 Cb 0.54 -0.26 -0.11 0.00 0.09 0.00 0.00 40.66 40.93 3did h LEU 58 CO 0.20 0.83 -0.28 0.28 0.09 0.00 0.00 178.44 179.55 3did s THR 59 N -5.78 0.00 0.27 0.22 -1.32 -1.26 -4.84 115.64 102.93 3did s THR 59 Ca -0.13 -1.63 0.07 0.00 -1.21 0.00 0.00 61.69 58.79 3did s THR 59 Cb 0.15 -2.38 -0.03 0.00 -1.51 0.00 0.00 72.50 68.73 3did s THR 59 CO 0.81 0.00 0.27 0.42 -2.21 0.00 0.00 174.62 173.92 3did s THR 60 N -3.85 4.38 0.34 5.08 -4.23 -1.26 -4.69 115.64 111.41 3did s THR 60 Ca 0.29 -1.28 0.04 0.00 -1.18 0.00 0.00 61.69 59.57 3did s THR 60 Cb 0.02 -3.45 0.29 0.00 1.34 0.00 0.00 72.50 70.70 3did s THR 60 CO 0.12 -0.29 1.93 -0.08 -0.54 0.00 0.00 174.62 175.77 3did h GLU 61 N 1.32 0.83 0.00 3.99 4.81 -2.00 -2.39 114.58 121.13 3did h GLU 61 Ca -0.48 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 58.70 3did h GLU 61 Cb 1.24 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 30.44 3did h GLU 61 CO 0.60 0.55 -0.55 1.05 -0.73 0.00 0.00 179.01 179.92 3did h GLU 62 N 0.85 0.00 0.00 1.92 4.11 -2.04 -3.25 114.58 116.17 3did h GLU 62 Ca 0.35 0.00 -0.05 0.00 0.07 0.00 0.00 59.36 59.73 3did h GLU 62 Cb 0.27 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 3did h GLU 62 CO -0.13 0.00 -0.24 0.93 0.07 0.00 0.00 179.01 179.64 3did h GLU 63 N 0.00 0.00 -3.31 1.06 5.08 -1.88 -3.39 114.58 112.14 3did h GLU 63 Ca 0.00 0.00 -0.77 0.00 -1.00 0.00 0.00 59.36 57.59 3did h GLU 63 Cb 0.96 0.00 -0.17 0.00 0.50 0.00 0.00 28.75 30.04 3did h GLU 63 CO 0.00 0.24 1.84 0.34 -1.00 0.00 0.00 179.01 180.43 3did n PHE 64 N -3.26 2.77 -1.55 4.33 7.35 -0.93 -4.95 117.46 121.21 3did n PHE 64 Ca 0.01 -2.75 -0.30 0.00 -0.76 0.00 0.00 57.45 53.66 3did n PHE 64 Cb 0.53 -1.81 0.09 0.00 0.35 0.00 0.00 39.48 38.64 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 -0.35 3.18 0.51 -2.13 -7.23 -1.26 -5.00 120.40 108.11 3did s VAL 65 Ca 0.39 0.38 -0.23 0.00 -1.81 0.00 0.00 61.98 60.72 3did s VAL 65 Cb 0.10 -3.13 -0.07 0.00 0.56 0.00 0.00 36.38 33.85 3did s VAL 65 CO 0.01 -0.50 1.28 -0.62 -0.31 0.00 0.00 175.10 174.97 3did n GLU 66 N -3.40 1.69 -3.45 4.82 1.02 -1.26 -4.91 120.64 115.14 3did n GLU 66 Ca 0.07 0.61 0.00 0.00 -0.02 0.00 0.00 57.16 57.83 3did n GLU 66 Cb 0.56 -2.46 0.00 0.00 -0.02 0.00 0.00 31.44 29.52 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 0.84 -0.94 3.43 0.62 0.00 -1.05 -5.03 105.19 103.05 3did n GLY 67 Ca 0.09 -1.31 -0.33 0.00 0.00 0.00 0.00 46.02 44.48 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 -2.89 3.23 0.06 -0.61 -1.09 -1.26 -0.78 121.20 117.86 3did s ILE 68 Ca 0.00 -0.61 0.08 0.00 -2.23 0.00 0.00 60.65 57.88 3did s ILE 68 Cb 0.00 -2.34 -0.03 0.00 -1.58 0.00 0.00 42.46 38.51 3did s ILE 68 CO 0.00 0.54 -0.21 -0.31 -1.23 0.00 0.00 174.94 173.73 3did s TYR 69 N 0.03 1.80 -0.06 3.97 2.02 -0.33 -0.93 117.35 123.85 3did s TYR 69 Ca -0.03 -0.39 0.06 0.00 -0.37 0.00 0.00 57.07 56.34 3did s TYR 69 Cb -0.14 -1.05 -0.01 0.00 -0.40 0.00 0.00 41.96 40.36 3did s TYR 69 CO 0.04 0.12 -0.25 0.21 -1.57 0.00 0.00 175.55 174.10 3did s LYS 70 N -1.38 2.58 -0.18 -0.62 2.20 -0.57 -1.83 119.74 119.95 3did s LYS 70 Ca 0.07 -0.90 -0.04 0.00 -0.36 0.00 0.00 55.97 54.74 3did s LYS 70 Cb -0.09 -2.18 -0.02 0.00 -1.51 0.00 0.00 37.83 34.03 3did s LYS 70 CO 0.02 0.37 -0.03 0.08 -0.36 0.00 0.00 175.35 175.44 3did s VAL 71 N -0.14 3.76 -0.20 4.02 1.01 -0.30 -1.23 120.40 127.31 3did s VAL 71 Ca -0.04 -0.39 0.00 0.00 0.00 0.00 0.00 61.98 61.55 3did s VAL 71 Cb -0.14 -2.67 0.02 0.00 0.00 0.00 0.00 36.38 33.59 3did s VAL 71 CO 0.04 0.46 -0.15 -1.61 0.00 0.00 0.00 175.10 173.84 3did s GLU 72 N 0.76 2.95 -0.21 2.72 2.02 -0.26 -1.53 118.70 125.15 3did s GLU 72 Ca -0.01 -0.87 -0.07 0.00 0.02 0.00 0.00 54.97 54.04 3did s GLU 72 Cb -0.14 -2.71 -0.03 0.00 0.10 0.00 0.00 34.13 31.34 3did s GLU 72 CO 0.02 -0.27 0.05 0.42 0.02 0.00 0.00 175.26 175.50 3did s ILE 73 N 1.30 4.40 -0.14 -1.63 1.01 -0.16 -1.12 121.20 124.86 3did s ILE 73 Ca 0.03 -0.16 -0.29 0.00 0.00 0.00 0.00 60.65 60.23 3did s ILE 73 Cb -0.14 -3.01 -0.02 0.00 0.01 0.00 0.00 42.46 39.30 3did s ILE 73 CO -0.10 0.41 1.23 -1.81 0.00 0.00 0.00 174.94 174.67 3did s ASP 74 N 0.94 6.98 0.00 3.58 1.11 -0.55 -0.52 116.67 128.22 3did s ASP 74 Ca 0.03 1.71 0.00 0.00 0.18 0.00 0.00 52.55 54.47 3did s ASP 74 Cb -0.14 -2.54 0.00 0.00 1.07 0.00 0.00 42.92 41.31 3did s ASP 74 CO 0.03 -0.70 0.09 0.35 1.18 0.00 0.00 175.17 176.11 3did n THR 75 N 5.15 0.00 -0.16 -1.27 -2.24 -0.79 -4.68 114.28 110.29 3did n THR 75 Ca 0.13 -0.42 -0.06 0.00 -2.27 0.00 0.00 64.05 61.43 3did n THR 75 Cb 0.45 1.04 0.00 0.00 -2.10 0.00 0.00 70.33 69.72 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 -0.18 -0.29 -0.78 1.63 -1.75 -2.89 116.57 112.31 3did h LYS 76 Ca 0.00 0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.81 3did h LYS 76 Cb 0.02 0.04 0.00 0.00 -0.60 0.00 0.00 32.23 31.69 3did h LYS 76 CO 0.00 -0.12 0.00 0.43 -3.45 0.00 0.00 179.45 176.31 3did n SER 77 N -5.42 2.79 0.28 4.20 7.64 -1.26 -4.49 113.62 117.36 3did n SER 77 Ca 0.03 -1.87 0.12 0.00 1.01 0.00 0.00 58.87 58.16 3did n SER 77 Cb 0.34 -0.19 0.80 0.00 -1.01 0.00 0.00 64.21 64.14 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 2.39 0.00 -0.21 1.43 3.20 -1.83 -2.29 116.97 119.67 3did h TYR 78 Ca 0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 3did h TYR 78 Cb 0.70 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.97 3did h TYR 78 CO 0.19 0.00 0.00 0.91 -1.64 0.00 0.00 178.16 177.63 3did n TRP 79 N -4.14 0.25 -0.22 -3.82 5.03 -1.26 -4.64 117.44 108.65 3did n TRP 79 Ca -0.03 -0.13 -0.09 0.00 3.03 0.00 0.00 57.50 60.28 3did n TRP 79 Cb 0.09 0.00 0.03 0.00 -1.03 0.00 0.00 31.31 30.39 3did n TRP 79 CO 0.00 0.00 0.00 -0.22 -0.03 0.00 0.00 177.69 177.44 3did h LYS 80 N 4.00 1.08 0.00 -0.99 3.11 -1.62 -2.13 116.57 120.01 3did h LYS 80 Ca 0.00 -0.33 0.00 0.00 -2.81 0.00 0.00 60.65 57.51 3did h LYS 80 Cb 0.87 -0.10 0.00 0.00 -1.00 0.00 0.00 32.23 32.00 3did h LYS 80 CO 0.00 1.04 0.00 0.00 -2.81 0.00 0.00 179.45 177.68 3did h ALA 81 N 1.00 1.00 0.00 5.00 0.00 -1.82 -1.56 119.26 122.88 3did h ALA 81 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.09 3did h ALA 81 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.33 3did h ALA 81 CO 0.03 0.00 -0.35 -0.07 0.00 0.00 0.00 179.25 178.86 3did h LEU 82 N 0.00 0.00 0.00 0.00 3.38 -1.73 -3.48 115.31 113.49 3did h LEU 82 Ca 0.00 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.92 3did h LEU 82 Cb 0.31 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.06 3did h LEU 82 CO 0.00 0.03 0.00 0.61 0.09 0.00 0.00 178.44 179.17 3did n GLY 83 N 1.23 0.59 3.13 0.83 0.00 -0.59 -5.07 105.19 105.31 3did n GLY 83 Ca 0.03 -0.46 -0.25 0.00 0.00 0.00 0.00 46.02 45.35 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 -2.00 1.32 -0.12 -0.61 1.01 -1.24 -5.08 121.20 114.48 3did s ILE 84 Ca 0.00 -0.69 -0.14 0.00 0.00 0.00 0.00 60.65 59.82 3did s ILE 84 Cb 0.00 -1.11 -0.05 0.00 0.01 0.00 0.00 42.46 41.31 3did s ILE 84 CO 0.00 0.38 0.34 -0.55 0.00 0.00 0.00 174.94 175.10 3did s SER 85 N -0.20 6.55 0.88 3.58 0.15 -1.26 -4.44 113.70 118.97 3did s SER 85 Ca 0.02 0.65 -0.11 0.00 0.70 0.00 0.00 55.95 57.22 3did s SER 85 Cb -0.08 -2.21 0.18 0.00 -1.71 0.00 0.00 66.02 62.20 3did s SER 85 CO 0.00 0.15 1.21 -2.16 1.20 0.00 0.00 173.24 173.64 3did s PRO 86 N 0.08 0.98 0.57 5.44 0.04 -1.26 -4.97 135.00 135.89 3did s PRO 86 Ca 0.19 -0.68 0.33 0.00 0.04 0.00 0.00 61.00 60.88 3did s PRO 86 Cb -0.14 -2.02 1.72 0.00 0.04 0.00 0.00 34.50 34.10 3did s PRO 86 CO 0.07 -2.09 2.15 0.00 0.04 0.00 0.00 177.00 177.18 3did h MET 87 N -1.25 0.00 -2.20 4.56 -0.00 -1.45 -3.45 114.93 111.14 3did h MET 87 Ca -0.41 0.00 0.05 0.00 -0.00 0.00 0.00 59.70 59.34 3did h MET 87 Cb 1.24 0.00 -0.17 0.00 -0.00 0.00 0.00 31.60 32.67 3did h MET 87 CO 0.38 0.06 0.40 -1.58 -0.00 0.00 0.00 176.91 176.17 3did s HIS 88 N -4.16 -0.44 -0.45 -0.10 5.65 -1.26 -5.07 115.29 109.47 3did s HIS 88 Ca -0.03 0.48 0.23 0.00 0.25 0.00 0.00 55.06 56.00 3did s HIS 88 Cb 0.13 0.50 1.00 0.00 -1.18 0.00 0.00 32.58 33.03 3did s HIS 88 CO 0.53 -0.56 1.71 -0.85 -0.65 0.00 0.00 174.74 174.91 3did n GLU 89 N 0.15 0.19 -4.20 2.88 0.00 -1.26 -4.58 120.64 113.82 3did n GLU 89 Ca -0.12 0.45 -0.16 0.00 0.00 0.00 0.00 57.16 57.33 3did n GLU 89 Cb 0.61 -1.88 -0.11 0.00 0.00 0.00 0.00 31.44 30.05 3did n GLU 89 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.13 176.12 3did s HIS 90 N -3.35 1.17 -0.17 -1.84 3.76 -1.26 -1.89 115.29 111.71 3did s HIS 90 Ca 0.03 -0.62 -0.09 0.00 -0.15 0.00 0.00 55.06 54.24 3did s HIS 90 Cb 0.09 -0.63 -0.05 0.00 1.11 0.00 0.00 32.58 33.11 3did s HIS 90 CO 0.37 0.05 0.12 0.00 -0.85 0.00 0.00 174.74 174.43 3did s ALA 91 N -2.33 3.72 0.07 -1.40 0.00 0.32 -4.87 121.76 117.27 3did s ALA 91 Ca 0.06 -0.68 0.03 0.00 0.00 0.00 0.00 51.96 51.37 3did s ALA 91 Cb -0.04 -2.06 -0.03 0.00 0.00 0.00 0.00 23.12 20.99 3did s ALA 91 CO 0.01 0.33 -0.09 -1.21 0.00 0.00 0.00 175.76 174.80 3did s GLU 92 N -0.16 0.70 -0.15 0.00 2.02 -1.26 -0.99 118.70 118.86 3did s GLU 92 Ca 0.10 -0.98 -0.07 0.00 0.02 0.00 0.00 54.97 54.04 3did s GLU 92 Cb -0.11 -0.43 0.06 0.00 0.10 0.00 0.00 34.13 33.75 3did s GLU 92 CO 0.00 0.07 0.34 0.14 0.02 0.00 0.00 175.26 175.84 3did s VAL 93 N -1.97 -0.20 -0.14 2.63 -7.23 -0.58 -5.00 120.40 107.90 3did s VAL 93 Ca -0.02 0.15 -0.07 0.00 -1.81 0.00 0.00 61.98 60.24 3did s VAL 93 Cb -0.06 -0.53 -0.04 0.00 0.56 0.00 0.00 36.38 36.31 3did s VAL 93 CO -0.00 0.06 0.10 -0.69 -0.31 0.00 0.00 175.10 174.26 3did s VAL 94 N 1.75 5.18 0.04 1.32 1.01 -1.26 -1.15 120.40 127.28 3did s VAL 94 Ca -0.06 0.09 0.01 0.00 0.00 0.00 0.00 61.98 62.02 3did s VAL 94 Cb -0.10 -3.28 -0.03 0.00 0.00 0.00 0.00 36.38 32.97 3did s VAL 94 CO -0.11 0.55 -0.05 0.72 0.00 0.00 0.00 175.10 176.21 3did s PHE 95 N -0.48 0.48 -0.22 5.22 -0.12 -0.76 -5.02 117.98 117.08 3did s PHE 95 Ca 0.11 -0.60 -0.10 0.00 -0.05 0.00 0.00 56.93 56.29 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 0.02 -0.17 0.14 0.99 -0.05 0.00 0.00 175.22 176.15 3did s THR 96 N -1.83 5.26 0.09 -4.49 2.01 -1.26 -1.18 115.64 114.24 3did s THR 96 Ca -0.10 0.14 0.07 0.00 0.31 0.00 0.00 61.69 62.12 3did s THR 96 Cb -0.07 -3.43 -0.04 0.00 0.01 0.00 0.00 72.50 68.97 3did s THR 96 CO -0.02 0.38 -0.12 0.00 -0.69 0.00 0.00 174.62 174.17 3did s ALA 97 N 0.83 2.86 -1.28 7.40 0.00 0.04 -4.87 121.76 126.73 3did s ALA 97 Ca 0.07 -1.25 0.00 0.00 0.00 0.00 0.00 51.96 50.78 3did s ALA 97 Cb -0.13 -0.84 0.00 0.00 0.00 0.00 0.00 23.12 22.16 3did s ALA 97 CO 0.02 0.62 0.00 0.09 0.00 0.00 0.00 175.76 176.50 3did n ASN 98 N 0.86 -3.77 0.07 0.00 3.02 -1.26 -2.54 115.26 111.63 3did n ASN 98 Ca -0.14 0.26 0.02 0.00 -0.03 0.00 0.00 54.58 54.69 3did n ASN 98 Cb 0.52 -3.37 0.11 0.00 -0.61 0.00 0.00 39.78 36.43 3did n ASN 98 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 3did n ASP 99 N -1.10 0.10 0.00 6.41 5.75 -1.26 -3.29 116.55 123.16 3did n ASP 99 Ca -0.14 0.32 0.00 0.00 -0.01 0.00 0.00 54.79 54.96 3did n ASP 99 Cb 0.52 -0.28 0.00 0.00 -1.03 0.00 0.00 41.12 40.33 3did n ASP 99 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 3did n SER 100 N -1.53 0.09 0.00 -1.12 7.64 -1.26 -5.17 113.62 112.27 3did n SER 100 Ca -0.00 -1.03 0.00 0.00 1.01 0.00 0.00 58.87 58.85 3did n SER 100 Cb 0.35 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.55 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 -0.02 0.77 3.55 0.23 0.00 -1.21 -5.03 105.19 103.50 3did n GLY 101 Ca 0.00 -1.88 -0.43 0.00 0.00 0.00 0.00 46.02 43.71 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 -1.49 3.51 0.01 1.61 0.04 -1.26 -4.75 135.00 132.66 3did s PRO 102 Ca 0.00 0.01 0.00 0.00 0.04 0.00 0.00 61.00 61.05 3did s PRO 102 Cb 0.00 -3.90 -0.01 0.00 0.04 0.00 0.00 34.50 30.64 3did s PRO 102 CO 0.00 -1.02 -0.02 1.03 0.04 0.00 0.00 177.00 177.03 3did s ARG 103 N 3.19 0.17 -0.05 4.56 1.81 -1.26 -4.35 118.95 123.02 3did s ARG 103 Ca 0.30 -0.25 -0.01 0.00 -1.72 0.00 0.00 55.73 54.04 3did s ARG 103 Cb -0.13 -0.03 -0.04 0.00 -0.45 0.00 0.00 34.95 34.31 3did s ARG 103 CO 0.21 0.00 0.03 1.03 -0.68 0.00 0.00 175.30 175.89 3did s ARG 104 N -0.54 3.01 -0.07 3.54 0.52 -0.15 -4.96 118.95 120.30 3did s ARG 104 Ca -0.05 -0.44 0.05 0.00 -0.52 0.00 0.00 55.73 54.78 3did s ARG 104 Cb -0.04 -2.82 -0.01 0.00 0.52 0.00 0.00 34.95 32.60 3did s ARG 104 CO -0.00 0.68 -0.24 0.71 0.02 0.00 0.00 175.30 176.47 3did s TYR 105 N -1.01 2.49 -0.14 -0.53 2.02 -0.64 -1.48 117.35 118.06 3did s TYR 105 Ca 0.17 -0.78 0.01 0.00 -0.37 0.00 0.00 57.07 56.10 3did s TYR 105 Cb -0.12 -1.64 0.00 0.00 -0.40 0.00 0.00 41.96 39.81 3did s TYR 105 CO 0.07 -0.25 -0.18 0.99 -1.57 0.00 0.00 175.55 174.61 3did s THR 106 N -0.04 2.49 -0.32 -0.71 2.01 -0.53 -1.95 115.64 116.59 3did s THR 106 Ca -0.07 -0.84 -0.10 0.00 0.31 0.00 0.00 61.69 61.00 3did s THR 106 Cb -0.15 -2.03 0.00 0.00 0.01 0.00 0.00 72.50 70.33 3did s THR 106 CO 0.05 0.53 0.15 -0.63 -0.69 0.00 0.00 174.62 174.03 3did s ILE 107 N 0.74 4.52 -0.18 1.82 -1.09 -0.58 -1.57 121.20 124.86 3did s ILE 107 Ca -0.07 -0.54 -0.04 0.00 -2.23 0.00 0.00 60.65 57.77 3did s ILE 107 Cb -0.16 -3.35 -0.02 0.00 -1.58 0.00 0.00 42.46 37.35 3did s ILE 107 CO 0.01 0.01 -0.04 0.00 -1.23 0.00 0.00 174.94 173.69 3did s ALA 108 N 1.59 2.94 -0.12 9.38 0.00 -0.68 -1.32 121.76 133.54 3did s ALA 108 Ca 0.04 -0.94 0.02 0.00 0.00 0.00 0.00 51.96 51.07 3did s ALA 108 Cb -0.17 -1.61 0.01 0.00 0.00 0.00 0.00 23.12 21.35 3did s ALA 108 CO 0.06 -0.01 -0.17 0.00 0.00 0.00 0.00 175.76 175.64 3did s ALA 109 N 0.76 1.88 -0.35 0.00 0.00 -0.27 -1.62 121.76 122.16 3did s ALA 109 Ca -0.01 -0.87 -0.13 0.00 0.00 0.00 0.00 51.96 50.95 3did s ALA 109 Cb -0.14 -0.92 -0.01 0.00 0.00 0.00 0.00 23.12 22.04 3did s ALA 109 CO 0.02 -0.12 0.25 -1.64 0.00 0.00 0.00 175.76 174.27 3did s MET 110 N 1.03 3.42 -0.12 0.00 -1.94 -0.29 -0.96 119.30 120.44 3did s MET 110 Ca -0.05 -0.70 -0.01 0.00 -1.71 0.00 0.00 55.69 53.22 3did s MET 110 Cb -0.15 -3.83 -0.03 0.00 2.01 0.00 0.00 34.83 32.84 3did s MET 110 CO -0.03 -0.49 -0.07 -0.51 -0.01 0.00 0.00 175.02 173.91 3did s LEU 111 N 1.72 3.12 0.21 -0.03 1.43 -0.74 -2.19 118.68 122.20 3did s LEU 111 Ca 0.06 -0.12 0.06 0.00 -1.03 0.00 0.00 54.13 53.09 3did s LEU 111 Cb -0.18 -1.72 -0.05 0.00 0.03 0.00 0.00 46.19 44.28 3did s LEU 111 CO 0.10 0.24 -0.08 -0.44 0.23 0.00 0.00 176.35 176.40 3did s SER 112 N -0.08 2.19 0.31 2.29 0.01 -0.29 -1.72 113.70 116.41 3did s SER 112 Ca 0.01 -1.09 0.08 0.00 1.31 0.00 0.00 55.95 56.25 3did s SER 112 Cb -0.13 -0.07 0.82 0.00 0.21 0.00 0.00 66.02 66.85 3did s SER 112 CO 0.03 -0.33 1.76 -0.65 0.41 0.00 0.00 173.24 174.45 3did h PRO 113 N 2.56 0.65 -0.07 12.44 0.11 -1.99 -3.14 132.00 142.56 3did h PRO 113 Ca -0.38 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.69 3did h PRO 113 Cb 1.21 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.18 3did h PRO 113 CO 0.64 0.43 0.00 0.66 -0.21 0.00 0.00 178.00 179.52 3did n TYR 114 N -4.81 0.20 -3.62 0.65 4.01 -1.26 -1.03 117.16 111.30 3did n TYR 114 Ca 0.25 -0.83 -0.14 0.00 -0.16 0.00 0.00 57.90 57.02 3did n TYR 114 Cb 0.66 -0.15 -0.07 0.00 -0.31 0.00 0.00 39.34 39.47 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 -2.15 -0.72 0.06 7.72 0.15 -1.19 -5.02 113.70 112.56 3did s SER 115 Ca 0.26 1.33 -0.13 0.00 0.70 0.00 0.00 55.95 58.11 3did s SER 115 Cb 0.22 1.32 0.02 0.00 -1.71 0.00 0.00 66.02 65.87 3did s SER 115 CO 0.04 -0.28 0.28 -0.72 1.20 0.00 0.00 173.24 173.77 3did s TYR 116 N 0.20 -0.05 -0.12 3.44 -0.85 -1.26 -1.13 117.35 117.58 3did s TYR 116 Ca -0.01 -0.17 0.03 0.00 -0.52 0.00 0.00 57.07 56.41 3did s TYR 116 Cb -0.04 0.07 0.01 0.00 0.38 0.00 0.00 41.96 42.37 3did s TYR 116 CO 0.01 -0.53 -0.22 -1.12 -1.52 0.00 0.00 175.55 172.18 3did s SER 117 N -2.29 3.00 -0.10 -0.18 0.01 -0.93 -5.01 113.70 108.20 3did s SER 117 Ca -0.02 -0.56 -0.00 0.00 1.31 0.00 0.00 55.95 56.68 3did s SER 117 Cb 0.00 -1.38 0.02 0.00 0.21 0.00 0.00 66.02 64.88 3did s SER 117 CO -0.06 0.11 -0.07 0.42 0.41 0.00 0.00 173.24 174.06 3did s THR 118 N 0.59 0.91 -0.07 1.44 -4.23 -1.26 -1.14 115.64 111.88 3did s THR 118 Ca -0.13 -0.23 0.06 0.00 -1.18 0.00 0.00 61.69 60.21 3did s THR 118 Cb -0.17 -0.94 -0.01 0.00 1.34 0.00 0.00 72.50 72.73 3did s THR 118 CO 0.04 0.34 -0.24 -0.89 -0.54 0.00 0.00 174.62 173.33 3did s THR 119 N 1.63 2.01 -0.31 3.99 2.01 -0.64 -5.00 115.64 119.34 3did s THR 119 Ca 0.03 -1.03 -0.12 0.00 0.31 0.00 0.00 61.69 60.88 3did s THR 119 Cb -0.13 -1.71 -0.03 0.00 0.01 0.00 0.00 72.50 70.64 3did s THR 119 CO -0.06 0.56 0.21 0.00 -0.69 0.00 0.00 174.62 174.63 3did s ALA 120 N -0.04 3.49 -0.30 7.40 0.00 -1.26 -1.68 121.76 129.37 3did s ALA 120 Ca -0.07 -1.25 -0.10 0.00 0.00 0.00 0.00 51.96 50.54 3did s ALA 120 Cb -0.15 -2.55 -0.02 0.00 0.00 0.00 0.00 23.12 20.41 3did s ALA 120 CO 0.05 -0.78 0.16 0.08 0.00 0.00 0.00 175.76 175.27 3did s VAL 121 N 1.73 4.75 -0.18 0.00 1.01 -0.61 -4.98 120.40 122.12 3did s VAL 121 Ca 0.06 -0.27 0.01 0.00 0.00 0.00 0.00 61.98 61.78 3did s VAL 121 Cb -0.17 -3.38 0.02 0.00 0.00 0.00 0.00 36.38 32.86 3did s VAL 121 CO 0.10 0.12 -0.19 -0.69 0.00 0.00 0.00 175.10 174.44 3did s VAL 122 N 1.65 1.99 0.09 2.92 1.01 -1.26 -1.45 120.40 125.35 3did s VAL 122 Ca 0.05 -0.90 0.09 0.00 0.00 0.00 0.00 61.98 61.22 3did s VAL 122 Cb -0.17 -1.81 -0.03 0.00 0.00 0.00 0.00 36.38 34.37 3did s VAL 122 CO 0.07 0.53 -0.23 0.42 0.00 0.00 0.00 175.10 175.89 3did s THR 123 N 1.31 1.85 -0.37 3.92 -4.23 -0.55 -4.98 115.64 112.60 3did s THR 123 Ca 0.05 -1.50 -0.08 0.00 -1.18 0.00 0.00 61.69 58.98 3did s THR 123 Cb -0.13 -1.65 0.05 0.00 1.34 0.00 0.00 72.50 72.11 3did s THR 123 CO -0.13 0.07 0.17 0.21 -0.54 0.00 0.00 174.62 174.40 3did s ASN 124 N -1.71 5.49 0.00 3.99 3.84 -1.26 -0.97 114.94 124.31 3did s ASN 124 Ca 0.09 -1.23 0.22 0.00 0.21 0.00 0.00 52.86 52.16 3did s ASN 124 Cb -0.10 -1.93 1.34 0.00 -0.55 0.00 0.00 41.25 40.01 3did s ASN 124 CO 0.04 -0.40 1.71 -0.81 -2.79 0.00 0.00 177.10 174.85