#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3a4f h PRO 11 N 0.00 0.00 -3.27 0.00 0.13 -1.87 -3.44 132.00 123.55 3a4f h PRO 11 Ca 0.00 0.00 -0.31 0.00 -0.87 0.00 0.00 66.00 64.82 3a4f h PRO 11 Cb 0.00 0.00 -0.36 0.00 0.13 0.00 0.00 31.00 30.77 3a4f h PRO 11 CO 0.00 0.16 -0.68 -1.17 -0.23 0.00 0.00 178.00 176.08 3a4f s LEU 12 N -6.55 0.33 0.04 1.56 2.96 -1.26 -0.07 118.68 115.70 3a4f s LEU 12 Ca 0.02 0.19 0.04 0.00 -0.22 0.00 0.00 54.13 54.15 3a4f s LEU 12 Cb 0.09 0.08 -0.02 0.00 0.50 0.00 0.00 46.19 46.84 3a4f s LEU 12 CO 0.62 -0.21 -0.11 -0.32 -1.32 0.00 0.00 176.35 175.01 3a4f s MET 13 N 1.85 0.74 -0.06 1.98 -2.45 -0.16 -4.43 119.30 116.78 3a4f s MET 13 Ca -0.00 -0.72 0.05 0.00 -1.25 0.00 0.00 55.69 53.77 3a4f s MET 13 Cb -0.12 -0.69 -0.01 0.00 1.25 0.00 0.00 34.83 35.27 3a4f s MET 13 CO -0.04 0.16 -0.21 0.08 1.05 0.00 0.00 175.02 176.06 3a4f s VAL 14 N -0.97 1.75 -0.05 10.11 1.01 -1.07 -0.85 120.40 130.34 3a4f s VAL 14 Ca -0.02 -0.89 0.02 0.00 0.00 0.00 0.00 61.98 61.09 3a4f s VAL 14 Cb -0.08 -1.50 0.01 0.00 0.00 0.00 0.00 36.38 34.81 3a4f s VAL 14 CO 0.01 0.49 -0.10 -0.75 0.00 0.00 0.00 175.10 174.75 3a4f s LYS 15 N 0.02 1.35 -0.04 2.72 2.20 -0.50 -0.26 119.74 125.23 3a4f s LYS 15 Ca -0.06 -0.34 0.03 0.00 -0.36 0.00 0.00 55.97 55.24 3a4f s LYS 15 Cb -0.13 -1.18 0.01 0.00 -1.51 0.00 0.00 37.83 35.01 3a4f s LYS 15 CO 0.04 0.04 -0.11 0.08 -0.36 0.00 0.00 175.35 175.04 3a4f s VAL 16 N 0.55 1.00 0.12 4.02 1.01 0.24 -1.10 120.40 126.24 3a4f s VAL 16 Ca -0.11 -0.44 0.10 0.00 0.00 0.00 0.00 61.98 61.54 3a4f s VAL 16 Cb -0.14 -0.90 -0.04 0.00 0.00 0.00 0.00 36.38 35.31 3a4f s VAL 16 CO 0.02 0.31 -0.24 -0.76 0.00 0.00 0.00 175.10 174.43 3a4f s LEU 17 N 0.41 2.43 -0.32 3.92 1.43 -0.48 -0.44 118.68 125.64 3a4f s LEU 17 Ca -0.08 -0.68 -0.11 0.00 -1.03 0.00 0.00 54.13 52.22 3a4f s LEU 17 Cb -0.12 -1.32 -0.02 0.00 0.03 0.00 0.00 46.19 44.75 3a4f s LEU 17 CO 0.02 0.19 0.20 -0.62 0.23 0.00 0.00 176.35 176.36 3a4f s ASP 18 N -2.02 5.86 0.13 2.29 -1.08 0.85 -0.93 116.67 121.76 3a4f s ASP 18 Ca 0.15 -0.37 0.27 0.00 -0.52 0.00 0.00 52.55 52.08 3a4f s ASP 18 Cb -0.10 -2.08 0.98 0.00 -1.46 0.00 0.00 42.92 40.25 3a4f s ASP 18 CO 0.07 -0.18 1.82 0.00 0.52 0.00 0.00 175.17 177.40 3a4f n ALA 19 N 5.05 2.24 0.10 3.66 0.00 0.04 -1.14 120.51 130.47 3a4f n ALA 19 Ca -0.13 -0.05 -0.24 0.00 0.00 0.00 0.00 53.44 53.02 3a4f n ALA 19 Cb 0.50 -1.46 -0.15 0.00 0.00 0.00 0.00 19.45 18.34 3a4f n ALA 19 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3a4f h VAL 20 N 0.00 1.04 0.00 0.00 2.07 -1.94 -3.38 116.25 114.04 3a4f h VAL 20 Ca 0.00 -2.57 0.00 0.00 0.82 0.00 0.00 66.70 64.95 3a4f h VAL 20 Cb 0.61 2.85 0.00 0.00 -1.52 0.00 0.00 31.29 33.23 3a4f h VAL 20 CO 0.00 0.85 -1.46 0.54 0.02 0.00 0.00 177.57 177.51 3a4f n ARG 21 N -3.63 0.38 -2.62 1.57 1.74 -1.23 -4.99 116.66 107.88 3a4f n ARG 21 Ca -0.22 -0.09 -0.07 0.00 -0.77 0.00 0.00 57.85 56.70 3a4f n ARG 21 Cb 1.09 -1.54 0.04 0.00 -1.02 0.00 0.00 32.46 31.02 3a4f n ARG 21 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3a4f n GLY 22 N 1.35 0.16 3.56 -0.13 0.00 -0.29 -5.04 105.19 104.80 3a4f n GLY 22 Ca -0.00 -0.26 -0.09 0.00 0.00 0.00 0.00 46.02 45.67 3a4f n GLY 22 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3a4f s SER 23 N -3.48 -0.21 0.53 1.61 1.04 -1.06 -5.01 113.70 107.11 3a4f s SER 23 Ca 0.03 -0.59 -0.22 0.00 0.48 0.00 0.00 55.95 55.65 3a4f s SER 23 Cb -0.02 0.59 -0.06 0.00 0.10 0.00 0.00 66.02 66.63 3a4f s SER 23 CO 0.29 -1.09 1.24 -0.81 0.98 0.00 0.00 173.24 173.85 3a4f n PRO 24 N -0.35 1.55 -3.14 4.02 -0.04 -1.26 -0.11 135.00 135.67 3a4f n PRO 24 Ca -0.08 0.57 -0.43 0.00 -0.04 0.00 0.00 63.50 63.53 3a4f n PRO 24 Cb 0.62 -2.43 -0.07 0.00 -0.04 0.00 0.00 33.50 31.58 3a4f n PRO 24 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3a4f s ALA 25 N -1.31 3.39 0.00 0.55 0.00 0.42 -4.47 121.76 120.33 3a4f s ALA 25 Ca 0.70 -1.13 -0.05 0.00 0.00 0.00 0.00 51.96 51.47 3a4f s ALA 25 Cb -0.44 -3.22 -0.05 0.00 0.00 0.00 0.00 23.12 19.41 3a4f s ALA 25 CO 0.51 -1.61 0.24 0.42 0.00 0.00 0.00 175.76 175.32 3a4f s ILE 26 N 2.70 5.34 -1.28 0.00 1.01 -1.26 -4.27 121.20 123.44 3a4f s ILE 26 Ca 0.22 0.06 0.00 0.00 0.00 0.00 0.00 60.65 60.93 3a4f s ILE 26 Cb -0.15 -3.56 0.00 0.00 0.01 0.00 0.00 42.46 38.77 3a4f s ILE 26 CO 0.17 0.35 0.00 0.59 0.00 0.00 0.00 174.94 176.05 3a4f n ASN 27 N 1.05 -4.40 -4.67 3.58 5.03 -0.36 -4.94 115.26 110.55 3a4f n ASN 27 Ca -0.11 0.09 -0.42 0.00 0.87 0.00 0.00 54.58 55.01 3a4f n ASN 27 Cb 0.53 -3.45 -0.03 0.00 -1.02 0.00 0.00 39.78 35.81 3a4f n ASN 27 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 3a4f s VAL 28 N -2.65 4.80 0.25 2.41 1.01 -1.26 -4.70 120.40 120.27 3a4f s VAL 28 Ca 0.00 1.85 -0.30 0.00 0.00 0.00 0.00 61.98 63.54 3a4f s VAL 28 Cb 0.00 -4.23 -0.09 0.00 0.00 0.00 0.00 36.38 32.06 3a4f s VAL 28 CO 0.00 -0.03 1.12 0.00 0.00 0.00 0.00 175.10 176.19 3a4f s ALA 29 N 2.39 3.41 -0.06 5.51 0.00 -1.26 -0.85 121.76 130.90 3a4f s ALA 29 Ca 0.43 0.91 0.01 0.00 0.00 0.00 0.00 51.96 53.30 3a4f s ALA 29 Cb -0.17 -3.35 0.02 0.00 0.00 0.00 0.00 23.12 19.63 3a4f s ALA 29 CO 0.12 -0.21 -0.05 0.08 0.00 0.00 0.00 175.76 175.70 3a4f s VAL 30 N -0.88 0.66 -0.07 0.00 1.01 0.49 -0.70 120.40 120.91 3a4f s VAL 30 Ca 0.46 -0.16 0.04 0.00 0.00 0.00 0.00 61.98 62.32 3a4f s VAL 30 Cb -0.32 -0.68 0.00 0.00 0.00 0.00 0.00 36.38 35.38 3a4f s VAL 30 CO 0.40 0.26 -0.19 -1.00 0.00 0.00 0.00 175.10 174.57 3a4f s HIS 31 N 1.09 2.04 -0.08 5.22 3.76 -0.29 -1.06 115.29 125.97 3a4f s HIS 31 Ca -0.08 -0.74 -0.01 0.00 -0.15 0.00 0.00 55.06 54.09 3a4f s HIS 31 Cb -0.14 -1.39 -0.03 0.00 1.11 0.00 0.00 32.58 32.13 3a4f s HIS 31 CO -0.01 -0.30 -0.03 0.08 -0.85 0.00 0.00 174.74 173.63 3a4f s VAL 32 N 0.30 4.00 0.19 -0.90 1.01 0.11 -0.40 120.40 124.70 3a4f s VAL 32 Ca -0.12 -0.36 0.08 0.00 0.00 0.00 0.00 61.98 61.57 3a4f s VAL 32 Cb -0.15 -2.66 -0.04 0.00 0.00 0.00 0.00 36.38 33.52 3a4f s VAL 32 CO 0.05 0.59 -0.16 -0.36 0.00 0.00 0.00 175.10 175.23 3a4f s PHE 33 N -0.76 1.77 -0.05 5.22 0.40 0.36 -0.64 117.98 124.27 3a4f s PHE 33 Ca 0.12 -0.52 0.03 0.00 -0.60 0.00 0.00 56.93 55.97 3a4f s PHE 33 Cb -0.11 -0.85 0.00 0.00 0.51 0.00 0.00 43.02 42.57 3a4f s PHE 33 CO 0.02 0.35 -0.15 0.50 0.70 0.00 0.00 175.22 176.65 3a4f s ARG 34 N -3.22 1.64 -0.02 0.44 3.52 0.27 -0.77 118.95 120.81 3a4f s ARG 34 Ca 0.19 -0.51 -0.30 0.00 -0.13 0.00 0.00 55.73 54.98 3a4f s ARG 34 Cb -0.03 -1.41 -0.04 0.00 -1.56 0.00 0.00 34.95 31.90 3a4f s ARG 34 CO 0.07 0.16 1.24 0.21 -0.81 0.00 0.00 175.30 176.18 3a4f s LYS 35 N 0.23 4.35 0.71 5.12 2.20 0.46 -0.59 119.74 132.22 3a4f s LYS 35 Ca -0.07 1.76 -0.06 0.00 -0.36 0.00 0.00 55.97 57.24 3a4f s LYS 35 Cb -0.12 -3.51 0.07 0.00 -1.51 0.00 0.00 37.83 32.76 3a4f s LYS 35 CO 0.02 -0.43 1.01 0.00 -0.36 0.00 0.00 175.35 175.59 3a4f s ALA 36 N 1.99 3.24 0.10 3.13 0.00 -0.02 -4.68 121.76 125.50 3a4f s ALA 36 Ca 0.58 -1.08 -0.31 0.00 0.00 0.00 0.00 51.96 51.16 3a4f s ALA 36 Cb -0.27 -2.49 -0.12 0.00 0.00 0.00 0.00 23.12 20.24 3a4f s ALA 36 CO 0.25 -1.33 1.61 0.00 0.00 0.00 0.00 175.76 176.28 3a4f h ALA 37 N -0.59 -0.73 0.00 0.00 0.00 -1.94 0.23 119.26 116.24 3a4f h ALA 37 Ca -0.43 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.37 3a4f h ALA 37 Cb 1.30 0.53 0.00 0.00 0.00 0.00 0.00 17.79 19.62 3a4f h ALA 37 CO 0.56 -0.95 0.00 -0.40 0.00 0.00 0.00 179.25 178.45 3a4f n ASP 38 N -5.46 0.00 0.00 0.00 5.68 -1.26 -4.74 116.55 110.77 3a4f n ASP 38 Ca -0.09 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.20 3a4f n ASP 38 Cb 0.36 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.34 3a4f n ASP 38 CO 0.00 0.00 0.00 -0.67 -1.33 0.00 0.00 177.20 175.20 3a4f n ASP 39 N -0.69 -2.26 -4.98 -1.12 2.03 0.82 -5.06 116.55 105.28 3a4f n ASP 39 Ca 0.00 0.00 -0.20 0.00 0.52 0.00 0.00 54.79 55.11 3a4f n ASP 39 Cb 0.00 -0.87 0.02 0.00 -0.72 0.00 0.00 41.12 39.55 3a4f n ASP 39 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 3a4f s THR 40 N -2.40 3.34 -0.28 5.18 -4.23 -1.26 -4.72 115.64 111.26 3a4f s THR 40 Ca 0.00 -0.78 -0.23 0.00 -1.18 0.00 0.00 61.69 59.50 3a4f s THR 40 Cb 0.00 -3.19 -0.01 0.00 1.34 0.00 0.00 72.50 70.64 3a4f s THR 40 CO 0.00 -0.11 0.74 0.26 -0.54 0.00 0.00 174.62 174.98 3a4f s TRP 41 N -2.49 3.24 -0.09 3.99 0.52 -1.26 -0.84 118.94 122.00 3a4f s TRP 41 Ca 0.52 0.84 -0.05 0.00 0.02 0.00 0.00 56.10 57.43 3a4f s TRP 41 Cb -0.10 -3.08 -0.04 0.00 -1.15 0.00 0.00 33.47 29.10 3a4f s TRP 41 CO 0.35 -0.48 0.12 -2.00 0.02 0.00 0.00 176.95 174.97 3a4f s GLU 42 N 2.80 3.34 0.31 4.98 2.56 0.24 -4.85 118.70 128.07 3a4f s GLU 42 Ca 0.31 -0.23 -0.29 0.00 0.00 0.00 0.00 54.97 54.75 3a4f s GLU 42 Cb -0.15 -3.09 -0.11 0.00 2.00 0.00 0.00 34.13 32.78 3a4f s GLU 42 CO 0.11 0.74 1.54 -2.14 -0.56 0.00 0.00 175.26 174.95 3a4f s PRO 43 N -1.18 4.14 0.00 4.30 0.02 -1.26 -0.56 135.00 140.46 3a4f s PRO 43 Ca 0.17 2.54 0.00 0.00 0.02 0.00 0.00 61.00 63.73 3a4f s PRO 43 Cb -0.12 -3.02 0.00 0.00 0.02 0.00 0.00 34.50 31.38 3a4f s PRO 43 CO 0.06 -0.57 0.00 0.34 -0.33 0.00 0.00 177.00 176.50 3a4f n PHE 44 N 1.67 0.00 -3.66 6.54 7.35 0.18 -4.76 117.46 124.79 3a4f n PHE 44 Ca 0.06 0.00 -0.05 0.00 -0.76 0.00 0.00 57.45 56.69 3a4f n PHE 44 Cb 0.38 0.00 -0.02 0.00 0.35 0.00 0.00 39.48 40.20 3a4f n PHE 44 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3a4f s ALA 45 N -2.00 -1.70 0.24 3.13 0.00 -1.00 -5.00 121.76 115.43 3a4f s ALA 45 Ca 0.00 0.41 -0.18 0.00 0.00 0.00 0.00 51.96 52.19 3a4f s ALA 45 Cb 0.00 0.58 0.02 0.00 0.00 0.00 0.00 23.12 23.72 3a4f s ALA 45 CO 0.00 -0.92 0.60 -1.54 0.00 0.00 0.00 175.76 173.90 3a4f s SER 46 N -2.79 -0.24 -0.01 0.00 1.04 -1.26 0.08 113.70 110.53 3a4f s SER 46 Ca 0.09 -0.61 -0.11 0.00 0.48 0.00 0.00 55.95 55.80 3a4f s SER 46 Cb -0.01 0.65 0.04 0.00 0.10 0.00 0.00 66.02 66.79 3a4f s SER 46 CO -0.02 -1.20 0.50 0.61 0.98 0.00 0.00 173.24 174.12 3a4f n GLY 47 N -0.40 0.47 3.17 7.32 0.00 -0.22 -4.93 105.19 110.60 3a4f n GLY 47 Ca -0.06 -0.92 -0.22 0.00 0.00 0.00 0.00 46.02 44.82 3a4f n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3a4f s LYS 48 N -2.01 1.10 0.58 1.61 1.02 -1.26 -0.38 119.74 120.41 3a4f s LYS 48 Ca 0.12 -0.76 -0.17 0.00 0.02 0.00 0.00 55.97 55.18 3a4f s LYS 48 Cb -0.00 -1.13 -0.04 0.00 -0.52 0.00 0.00 37.83 36.13 3a4f s LYS 48 CO -0.00 0.29 1.07 0.95 -0.92 0.00 0.00 175.35 176.74 3a4f s THR 49 N -0.74 3.64 0.35 2.17 -4.23 -0.03 -4.71 115.64 112.09 3a4f s THR 49 Ca 0.04 0.84 -0.03 0.00 -1.18 0.00 0.00 61.69 61.36 3a4f s THR 49 Cb -0.08 -3.33 0.08 0.00 1.34 0.00 0.00 72.50 70.51 3a4f s THR 49 CO 0.01 -0.40 0.48 -1.54 -0.54 0.00 0.00 174.62 172.64 3a4f n SER 50 N -1.84 0.36 0.27 3.99 3.41 -0.09 -1.22 113.62 118.50 3a4f n SER 50 Ca 0.09 -1.37 0.18 0.00 -0.26 0.00 0.00 58.87 57.51 3a4f n SER 50 Cb 0.52 -0.34 0.94 0.00 -0.26 0.00 0.00 64.21 65.07 3a4f n SER 50 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 3a4f h GLU 51 N 0.00 0.00 -0.01 4.33 5.08 -1.94 0.15 114.58 122.19 3a4f h GLU 51 Ca -0.16 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.20 3a4f h GLU 51 Cb 0.52 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.77 3a4f h GLU 51 CO 0.14 0.00 -0.09 -1.13 -1.00 0.00 0.00 179.01 176.93 3a4f n SER 52 N -3.44 1.28 0.00 1.42 3.41 -1.26 -4.80 113.62 110.23 3a4f n SER 52 Ca -0.01 -1.25 0.00 0.00 -0.26 0.00 0.00 58.87 57.35 3a4f n SER 52 Cb 0.25 0.04 0.00 0.00 -0.26 0.00 0.00 64.21 64.24 3a4f n SER 52 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3a4f n GLY 53 N 1.23 0.76 3.83 5.00 0.00 0.52 -4.72 105.19 111.80 3a4f n GLY 53 Ca 0.17 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.88 3a4f n GLY 53 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3a4f s LYS 54 N -0.44 3.07 -0.23 1.61 1.02 -1.26 -0.59 119.74 122.92 3a4f s LYS 54 Ca 0.00 -0.61 0.01 0.00 0.02 0.00 0.00 55.97 55.39 3a4f s LYS 54 Cb 0.00 -2.83 0.06 0.00 -0.52 0.00 0.00 37.83 34.54 3a4f s LYS 54 CO 0.00 0.58 -0.05 -1.17 -0.92 0.00 0.00 175.35 173.78 3a4f s LEU 55 N -2.45 2.53 0.29 3.17 2.96 0.64 -0.91 118.68 124.91 3a4f s LEU 55 Ca 0.31 -1.15 0.07 0.00 -0.22 0.00 0.00 54.13 53.14 3a4f s LEU 55 Cb -0.12 -1.17 -0.03 0.00 0.50 0.00 0.00 46.19 45.36 3a4f s LEU 55 CO 0.24 -0.23 0.25 -1.00 -1.32 0.00 0.00 176.35 174.29 3a4f s HIS 56 N 1.40 3.02 -0.19 5.38 3.76 -1.26 -2.59 115.29 124.81 3a4f s HIS 56 Ca -0.06 -0.20 0.00 0.00 -0.15 0.00 0.00 55.06 54.65 3a4f s HIS 56 Cb -0.19 -1.60 0.00 0.00 1.11 0.00 0.00 32.58 31.90 3a4f s HIS 56 CO -0.06 0.35 0.00 0.41 -0.85 0.00 0.00 174.74 174.59 3a4f n GLY 57 N -1.28 0.53 0.30 -2.22 0.00 -1.26 -4.92 105.19 96.34 3a4f n GLY 57 Ca -0.05 -0.37 0.08 0.00 0.00 0.00 0.00 46.02 45.68 3a4f n GLY 57 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3a4f h LEU 58 N 0.00 0.42 0.00 0.99 3.38 -1.84 -3.47 115.31 114.79 3a4f h LEU 58 Ca -0.04 0.11 -0.17 0.00 0.09 0.00 0.00 57.88 57.87 3a4f h LEU 58 Cb 0.23 0.06 -0.04 0.00 0.09 0.00 0.00 40.66 41.00 3a4f h LEU 58 CO 0.05 0.14 -0.02 1.07 0.09 0.00 0.00 178.44 179.78 3a4f n THR 59 N -4.94 0.00 -4.41 0.22 5.66 -1.26 -4.76 114.28 104.79 3a4f n THR 59 Ca 0.17 -1.26 -0.21 0.00 -3.05 0.00 0.00 64.05 59.71 3a4f n THR 59 Cb 0.48 0.87 -0.10 0.00 -1.55 0.00 0.00 70.33 70.02 3a4f n THR 59 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 3a4f s THR 60 N -2.61 1.75 0.39 1.09 -4.23 -1.26 -4.63 115.64 106.13 3a4f s THR 60 Ca 0.21 -2.18 0.07 0.00 -1.18 0.00 0.00 61.69 58.61 3a4f s THR 60 Cb -0.02 -2.31 0.28 0.00 1.34 0.00 0.00 72.50 71.80 3a4f s THR 60 CO 0.15 -0.40 2.02 -0.08 -0.54 0.00 0.00 174.62 175.76 3a4f h GLU 61 N 2.37 0.62 -0.46 3.99 4.81 -1.99 -1.62 114.58 122.30 3a4f h GLU 61 Ca -0.39 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 58.79 3a4f h GLU 61 Cb 1.23 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 30.45 3a4f h GLU 61 CO 0.65 0.41 0.24 0.93 -0.73 0.00 0.00 179.01 180.51 3a4f h GLU 62 N 0.64 0.65 0.00 1.92 5.08 -2.04 -3.19 114.58 117.64 3a4f h GLU 62 Ca 0.22 -0.09 -0.12 0.00 -1.00 0.00 0.00 59.36 58.37 3a4f h GLU 62 Cb 0.09 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.20 3a4f h GLU 62 CO -0.06 0.53 -0.64 0.93 -1.00 0.00 0.00 179.01 178.77 3a4f h GLU 63 N 0.60 0.00 -3.87 2.33 5.08 -1.86 -3.40 114.58 113.47 3a4f h GLU 63 Ca 0.16 0.00 -0.75 0.00 -1.00 0.00 0.00 59.36 57.77 3a4f h GLU 63 Cb 0.08 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 29.19 3a4f h GLU 63 CO -0.02 0.54 2.02 0.34 -1.00 0.00 0.00 179.01 180.89 3a4f n PHE 64 N -3.21 3.44 -2.22 4.33 7.35 -0.65 -4.95 117.46 121.56 3a4f n PHE 64 Ca 0.01 -2.92 -0.27 0.00 -0.76 0.00 0.00 57.45 53.51 3a4f n PHE 64 Cb 0.77 -2.08 0.17 0.00 0.35 0.00 0.00 39.48 38.69 3a4f n PHE 64 CO 0.00 0.00 0.00 0.14 -0.76 0.00 0.00 176.76 176.14 3a4f s VAL 65 N 1.03 2.01 0.48 -2.13 -7.23 -1.26 -4.95 120.40 108.34 3a4f s VAL 65 Ca 0.41 -0.25 -0.24 0.00 -1.81 0.00 0.00 61.98 60.10 3a4f s VAL 65 Cb 0.08 -2.76 -0.08 0.00 0.56 0.00 0.00 36.38 34.18 3a4f s VAL 65 CO -0.00 0.00 1.23 1.21 -0.31 0.00 0.00 175.10 177.23 3a4f n GLU 66 N -3.46 1.70 -3.74 4.82 2.13 -1.26 -4.80 120.64 116.02 3a4f n GLU 66 Ca 0.17 0.61 0.00 0.00 0.66 0.00 0.00 57.16 58.60 3a4f n GLU 66 Cb 0.60 -2.38 0.00 0.00 0.27 0.00 0.00 31.44 29.93 3a4f n GLU 66 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3a4f n GLY 67 N 0.89 -1.57 3.52 8.31 0.00 -1.03 -4.98 105.19 110.32 3a4f n GLY 67 Ca 0.09 -1.14 -0.34 0.00 0.00 0.00 0.00 46.02 44.62 3a4f n GLY 67 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3a4f s ILE 68 N -2.80 4.04 0.17 -0.61 1.01 -1.26 -0.47 121.20 121.28 3a4f s ILE 68 Ca 0.00 -0.30 0.11 0.00 0.00 0.00 0.00 60.65 60.45 3a4f s ILE 68 Cb 0.00 -2.78 -0.04 0.00 0.01 0.00 0.00 42.46 39.65 3a4f s ILE 68 CO 0.00 0.48 -0.23 -0.31 0.00 0.00 0.00 174.94 174.88 3a4f s TYR 69 N 0.41 2.16 -0.07 3.97 1.51 -0.23 -0.40 117.35 124.70 3a4f s TYR 69 Ca -0.03 -0.39 0.01 0.00 -1.01 0.00 0.00 57.07 55.65 3a4f s TYR 69 Cb -0.14 -1.09 0.02 0.00 -0.11 0.00 0.00 41.96 40.64 3a4f s TYR 69 CO 0.02 0.42 -0.07 0.21 -1.11 0.00 0.00 175.55 175.03 3a4f s LYS 70 N -2.56 1.23 -0.35 -0.62 2.20 0.05 -1.75 119.74 117.95 3a4f s LYS 70 Ca 0.18 -0.21 -0.08 0.00 -0.36 0.00 0.00 55.97 55.50 3a4f s LYS 70 Cb -0.08 -1.19 0.03 0.00 -1.51 0.00 0.00 37.83 35.08 3a4f s LYS 70 CO 0.08 -0.11 0.13 0.08 -0.36 0.00 0.00 175.35 175.17 3a4f s VAL 71 N 1.11 4.00 -0.23 4.02 1.01 0.31 -0.49 120.40 130.12 3a4f s VAL 71 Ca -0.07 -1.04 -0.13 0.00 0.00 0.00 0.00 61.98 60.74 3a4f s VAL 71 Cb -0.14 -3.25 -0.05 0.00 0.00 0.00 0.00 36.38 32.95 3a4f s VAL 71 CO -0.01 -0.18 0.25 -0.70 0.00 0.00 0.00 175.10 174.46 3a4f s GLU 72 N 1.45 4.09 -0.20 2.72 2.12 0.46 -0.41 118.70 128.92 3a4f s GLU 72 Ca -0.01 -0.10 -0.04 0.00 0.36 0.00 0.00 54.97 55.18 3a4f s GLU 72 Cb -0.19 -3.56 -0.02 0.00 0.26 0.00 0.00 34.13 30.62 3a4f s GLU 72 CO 0.04 -0.01 -0.03 0.42 -0.54 0.00 0.00 175.26 175.13 3a4f s ILE 73 N 1.27 3.59 -1.33 -3.70 1.01 0.12 -1.14 121.20 121.01 3a4f s ILE 73 Ca 0.12 -0.43 -0.12 0.00 0.00 0.00 0.00 60.65 60.21 3a4f s ILE 73 Cb -0.14 -2.62 0.12 0.00 0.01 0.00 0.00 42.46 39.82 3a4f s ILE 73 CO 0.06 0.43 1.92 0.47 0.00 0.00 0.00 174.94 177.83 3a4f n ASP 74 N 4.47 4.69 0.02 3.58 8.00 0.13 -1.02 116.55 136.42 3a4f n ASP 74 Ca -0.18 -2.99 -0.04 0.00 0.71 0.00 0.00 54.79 52.30 3a4f n ASP 74 Cb 0.51 -1.58 0.18 0.00 -0.02 0.00 0.00 41.12 40.22 3a4f n ASP 74 CO 0.00 0.00 0.00 0.71 -0.39 0.00 0.00 177.20 177.52 3a4f h THR 75 N 4.13 1.28 -0.40 -3.53 1.35 -1.87 -2.88 112.91 110.98 3a4f h THR 75 Ca 0.45 -1.37 -0.04 0.00 -0.55 0.00 0.00 66.41 64.90 3a4f h THR 75 Cb 0.69 1.44 -0.02 0.00 -1.73 0.00 0.00 68.15 68.53 3a4f h THR 75 CO 1.65 0.43 0.09 0.50 -0.25 0.00 0.00 175.52 177.94 3a4f h LYS 76 N 0.41 0.65 -0.74 4.72 3.64 -1.69 -1.60 116.57 121.97 3a4f h LYS 76 Ca 0.05 -0.16 0.03 0.00 -1.27 0.00 0.00 60.65 59.30 3a4f h LYS 76 Cb 0.74 -0.08 -0.05 0.00 -0.41 0.00 0.00 32.23 32.43 3a4f h LYS 76 CO 0.06 0.68 0.47 0.77 -2.27 0.00 0.00 179.45 179.16 3a4f h SER 77 N 0.51 0.77 0.26 4.20 0.02 -1.80 -0.93 113.55 116.58 3a4f h SER 77 Ca 0.13 -0.00 0.01 0.00 -0.84 0.00 0.00 61.79 61.08 3a4f h SER 77 Cb 0.33 -0.17 -0.03 0.00 0.14 0.00 0.00 62.40 62.67 3a4f h SER 77 CO 0.00 0.54 -0.32 0.22 -1.14 0.00 0.00 176.83 176.13 3a4f h TYR 78 N 0.92 -0.85 -0.91 3.45 3.20 -1.27 -1.56 116.97 119.94 3a4f h TYR 78 Ca 0.30 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.16 3a4f h TYR 78 Cb 0.01 0.34 -0.04 0.00 1.54 0.00 0.00 36.73 38.58 3a4f h TYR 78 CO -0.04 -0.44 0.52 -1.49 -1.64 0.00 0.00 178.16 175.07 3a4f h TRP 79 N -0.63 1.23 -0.39 -3.82 4.06 -1.12 -2.68 115.95 112.60 3a4f h TRP 79 Ca -0.00 -0.02 -0.13 0.00 2.06 0.00 0.00 58.89 60.80 3a4f h TRP 79 Cb 0.59 -0.40 -0.01 0.00 -1.00 0.00 0.00 29.16 28.34 3a4f h TRP 79 CO -0.22 0.84 -0.26 0.87 -3.56 0.00 0.00 178.44 176.11 3a4f h LYS 80 N 1.27 0.82 0.00 0.49 1.57 -0.96 0.13 116.57 119.89 3a4f h LYS 80 Ca 0.32 -0.35 -0.00 0.00 -1.87 0.00 0.00 60.65 58.75 3a4f h LYS 80 Cb -0.00 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.28 3a4f h LYS 80 CO -0.05 0.98 -0.01 0.00 -0.57 0.00 0.00 179.45 179.80 3a4f h ALA 81 N 1.00 1.04 -0.46 3.86 0.00 -1.16 0.30 119.26 123.85 3a4f h ALA 81 Ca 0.09 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3a4f h ALA 81 Cb 0.80 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.59 3a4f h ALA 81 CO 0.07 0.01 0.00 1.28 0.00 0.00 0.00 179.25 180.61 3a4f n LEU 82 N -3.16 3.06 -0.68 0.00 4.77 -0.65 -4.94 117.00 115.41 3a4f n LEU 82 Ca -0.02 -1.54 -0.08 0.00 -0.03 0.00 0.00 56.01 54.34 3a4f n LEU 82 Cb 0.15 -0.42 -0.03 0.00 -2.33 0.00 0.00 43.42 40.79 3a4f n LEU 82 CO 0.23 0.61 -0.08 0.61 -1.33 0.00 0.00 177.39 177.42 3a4f n GLY 83 N 1.02 0.76 3.35 -0.72 0.00 0.11 -5.03 105.19 104.68 3a4f n GLY 83 Ca 0.17 -0.65 -0.30 0.00 0.00 0.00 0.00 46.02 45.23 3a4f n GLY 83 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3a4f s ILE 84 N -2.32 2.20 -0.65 -0.61 1.01 -0.06 -4.98 121.20 115.79 3a4f s ILE 84 Ca 0.00 -1.36 -0.09 0.00 0.00 0.00 0.00 60.65 59.19 3a4f s ILE 84 Cb 0.00 -1.86 0.17 0.00 0.01 0.00 0.00 42.46 40.78 3a4f s ILE 84 CO 0.00 0.37 0.54 -0.55 0.00 0.00 0.00 174.94 175.30 3a4f s SER 85 N -1.24 5.98 0.81 3.58 0.15 -1.26 -2.92 113.70 118.80 3a4f s SER 85 Ca 0.12 -2.47 -0.08 0.00 0.70 0.00 0.00 55.95 54.22 3a4f s SER 85 Cb -0.10 -2.05 0.14 0.00 -1.71 0.00 0.00 66.02 62.30 3a4f s SER 85 CO 0.02 -0.56 1.12 -2.16 1.20 0.00 0.00 173.24 172.86 3a4f s PRO 86 N 0.51 1.40 -0.13 5.44 0.04 -1.26 -5.02 135.00 135.99 3a4f s PRO 86 Ca 0.13 -0.65 -0.23 0.00 0.04 0.00 0.00 61.00 60.30 3a4f s PRO 86 Cb -0.19 -2.11 -0.26 0.00 0.04 0.00 0.00 34.50 31.98 3a4f s PRO 86 CO -0.04 -1.77 0.62 0.35 0.04 0.00 0.00 177.00 176.20 3a4f h PHE 87 N -0.97 0.21 -3.51 0.56 3.57 -1.52 -3.48 116.94 111.80 3a4f h PHE 87 Ca -0.41 -0.15 -0.51 0.00 3.53 0.00 0.00 57.97 60.43 3a4f h PHE 87 Cb 1.27 -0.01 -0.01 0.00 2.79 0.00 0.00 35.95 39.99 3a4f h PHE 87 CO -0.44 1.30 0.00 -1.01 -2.23 0.00 0.00 178.31 175.93 3a4f s HIS 88 N -2.35 3.45 0.04 0.41 3.76 -1.26 -5.00 115.29 114.34 3a4f s HIS 88 Ca -0.20 0.91 -0.18 0.00 -0.15 0.00 0.00 55.06 55.44 3a4f s HIS 88 Cb 0.01 -2.32 -0.19 0.00 1.11 0.00 0.00 32.58 31.19 3a4f s HIS 88 CO 0.71 0.06 1.20 0.93 -0.85 0.00 0.00 174.74 176.80 3a4f h GLU 89 N 1.70 0.51 -2.30 1.40 4.39 -1.98 -3.36 114.58 114.95 3a4f h GLU 89 Ca -0.47 -0.45 0.19 0.00 0.34 0.00 0.00 59.36 58.97 3a4f h GLU 89 Cb 1.18 0.10 -0.07 0.00 -0.10 0.00 0.00 28.75 29.86 3a4f h GLU 89 CO 0.65 1.08 0.54 -3.38 -1.16 0.00 0.00 179.01 176.74 3a4f s HIS 90 N -3.57 -0.08 -0.12 4.33 -3.43 -1.26 -2.96 115.29 108.20 3a4f s HIS 90 Ca -0.13 -0.23 -0.03 0.00 -0.80 0.00 0.00 55.06 53.87 3a4f s HIS 90 Cb 0.05 0.65 -0.03 0.00 -1.43 0.00 0.00 32.58 31.81 3a4f s HIS 90 CO 0.83 -0.80 0.01 0.00 -2.00 0.00 0.00 174.74 172.78 3a4f s ALA 91 N -2.97 3.28 -0.10 -1.38 0.00 -0.19 -4.88 121.76 115.53 3a4f s ALA 91 Ca 0.14 -0.79 0.04 0.00 0.00 0.00 0.00 51.96 51.35 3a4f s ALA 91 Cb -0.01 -1.60 0.00 0.00 0.00 0.00 0.00 23.12 21.51 3a4f s ALA 91 CO 0.02 0.44 -0.22 -1.21 0.00 0.00 0.00 175.76 174.79 3a4f s GLU 92 N -0.41 2.85 -0.18 0.00 0.41 -1.26 0.13 118.70 120.24 3a4f s GLU 92 Ca 0.08 -0.81 0.01 0.00 -0.41 0.00 0.00 54.97 53.84 3a4f s GLU 92 Cb -0.12 -2.18 0.04 0.00 -1.78 0.00 0.00 34.13 30.09 3a4f s GLU 92 CO 0.02 0.14 -0.11 0.08 -0.49 0.00 0.00 175.26 174.91 3a4f s VAL 93 N 0.43 1.56 -0.13 2.63 1.01 0.45 -4.94 120.40 121.42 3a4f s VAL 93 Ca -0.17 -0.87 0.01 0.00 0.00 0.00 0.00 61.98 60.95 3a4f s VAL 93 Cb -0.17 -1.61 -0.01 0.00 0.00 0.00 0.00 36.38 34.59 3a4f s VAL 93 CO 0.07 0.24 -0.16 -0.69 0.00 0.00 0.00 175.10 174.56 3a4f s VAL 94 N 1.45 2.71 0.04 2.92 1.01 -1.26 -0.53 120.40 126.74 3a4f s VAL 94 Ca 0.01 -0.78 -0.25 0.00 0.00 0.00 0.00 61.98 60.96 3a4f s VAL 94 Cb -0.15 -2.12 0.06 0.00 0.00 0.00 0.00 36.38 34.17 3a4f s VAL 94 CO -0.09 0.53 0.58 0.72 0.00 0.00 0.00 175.10 176.85 3a4f s PHE 95 N 0.45 -0.51 0.07 5.22 -0.71 -0.71 -5.00 117.98 116.78 3a4f s PHE 95 Ca -0.12 0.63 -0.24 0.00 -1.04 0.00 0.00 56.93 56.16 3a4f s PHE 95 Cb -0.16 0.41 -0.06 0.00 -1.21 0.00 0.00 43.02 41.99 3a4f s PHE 95 CO 0.05 -0.68 0.73 0.99 -1.34 0.00 0.00 175.22 174.98 3a4f s THR 96 N -2.35 4.66 0.10 -4.49 2.01 -1.26 -1.06 115.64 113.25 3a4f s THR 96 Ca -0.06 1.57 0.08 0.00 0.31 0.00 0.00 61.69 63.60 3a4f s THR 96 Cb -0.01 -4.08 -0.03 0.00 0.01 0.00 0.00 72.50 68.39 3a4f s THR 96 CO -0.01 0.42 -0.21 0.00 -0.69 0.00 0.00 174.62 174.13 3a4f s ALA 97 N -0.41 1.85 -1.83 7.40 0.00 0.38 -4.83 121.76 124.32 3a4f s ALA 97 Ca 0.36 -1.24 0.00 0.00 0.00 0.00 0.00 51.96 51.08 3a4f s ALA 97 Cb -0.21 -0.27 0.00 0.00 0.00 0.00 0.00 23.12 22.64 3a4f s ALA 97 CO 0.23 0.38 0.00 0.09 0.00 0.00 0.00 175.76 176.46 3a4f n ASN 98 N 1.18 -5.74 -0.13 0.00 4.13 -1.26 -2.45 115.26 110.99 3a4f n ASN 98 Ca -0.19 0.09 0.13 0.00 1.68 0.00 0.00 54.58 56.28 3a4f n ASN 98 Cb 0.53 -4.81 0.33 0.00 -1.54 0.00 0.00 39.78 34.29 3a4f n ASN 98 CO 0.00 0.00 0.00 -0.90 0.28 0.00 0.00 177.26 176.64 3a4f n ASP 99 N -1.77 0.77 -2.73 6.41 5.75 -1.26 -2.96 116.55 120.75 3a4f n ASP 99 Ca -0.23 -0.59 -0.27 0.00 -0.01 0.00 0.00 54.79 53.68 3a4f n ASP 99 Cb 0.68 0.18 -0.02 0.00 -1.03 0.00 0.00 41.12 40.93 3a4f n ASP 99 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 3a4f n SER 100 N -1.05 4.69 0.00 -1.12 3.41 -1.26 -5.08 113.62 113.21 3a4f n SER 100 Ca 0.09 -3.71 0.00 0.00 -0.26 0.00 0.00 58.87 55.00 3a4f n SER 100 Cb 0.34 -0.53 0.00 0.00 -0.26 0.00 0.00 64.21 63.76 3a4f n SER 100 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3a4f n GLY 101 N -0.36 0.86 3.73 5.00 0.00 -1.16 -4.98 105.19 108.28 3a4f n GLY 101 Ca 0.35 -1.86 -0.42 0.00 0.00 0.00 0.00 46.02 44.09 3a4f n GLY 101 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3a4f s PRO 102 N -2.36 4.19 0.31 1.61 0.02 -1.26 -4.24 135.00 133.28 3a4f s PRO 102 Ca 0.00 2.44 0.06 0.00 0.02 0.00 0.00 61.00 63.53 3a4f s PRO 102 Cb 0.00 -3.10 -0.06 0.00 0.02 0.00 0.00 34.50 31.36 3a4f s PRO 102 CO 0.00 -0.60 -0.03 1.03 -0.33 0.00 0.00 177.00 177.08 3a4f s ARG 103 N 0.42 1.65 -0.13 5.54 1.81 -1.26 -4.38 118.95 122.60 3a4f s ARG 103 Ca 0.67 -1.87 -0.12 0.00 -1.72 0.00 0.00 55.73 52.69 3a4f s ARG 103 Cb -0.45 -1.20 -0.05 0.00 -0.45 0.00 0.00 34.95 32.80 3a4f s ARG 103 CO 0.38 -0.02 0.25 1.03 -0.68 0.00 0.00 175.30 176.27 3a4f s ARG 104 N -3.75 4.01 -0.10 3.54 1.81 0.12 -4.82 118.95 119.76 3a4f s ARG 104 Ca 0.32 0.05 0.03 0.00 -1.72 0.00 0.00 55.73 54.41 3a4f s ARG 104 Cb 0.06 -3.34 0.00 0.00 -0.45 0.00 0.00 34.95 31.22 3a4f s ARG 104 CO 0.14 0.44 -0.21 0.71 -0.68 0.00 0.00 175.30 175.71 3a4f s TYR 105 N -0.14 2.29 -0.18 -0.53 2.02 0.89 -1.06 117.35 120.64 3a4f s TYR 105 Ca 0.16 -0.95 -0.01 0.00 -0.37 0.00 0.00 57.07 55.90 3a4f s TYR 105 Cb -0.13 -1.56 -0.00 0.00 -0.40 0.00 0.00 41.96 39.87 3a4f s TYR 105 CO 0.05 -0.41 -0.11 0.99 -1.57 0.00 0.00 175.55 174.50 3a4f s THR 106 N 0.49 2.93 -0.35 -0.71 2.01 -0.10 -0.99 115.64 118.92 3a4f s THR 106 Ca -0.16 -0.66 -0.10 0.00 0.31 0.00 0.00 61.69 61.07 3a4f s THR 106 Cb -0.17 -2.28 0.01 0.00 0.01 0.00 0.00 72.50 70.07 3a4f s THR 106 CO 0.06 0.48 0.18 -0.63 -0.69 0.00 0.00 174.62 174.03 3a4f s ILE 107 N 1.11 4.61 0.01 1.82 -1.09 -0.03 -0.62 121.20 127.01 3a4f s ILE 107 Ca 0.01 -0.64 -0.00 0.00 -2.23 0.00 0.00 60.65 57.78 3a4f s ILE 107 Cb -0.14 -3.47 -0.04 0.00 -1.58 0.00 0.00 42.46 37.23 3a4f s ILE 107 CO -0.03 -0.10 0.11 0.00 -1.23 0.00 0.00 174.94 173.70 3a4f s ALA 108 N 1.59 3.70 0.02 9.38 0.00 0.16 -1.40 121.76 135.20 3a4f s ALA 108 Ca 0.03 -0.87 0.02 0.00 0.00 0.00 0.00 51.96 51.14 3a4f s ALA 108 Cb -0.18 -1.65 -0.01 0.00 0.00 0.00 0.00 23.12 21.28 3a4f s ALA 108 CO 0.07 0.73 -0.07 0.00 0.00 0.00 0.00 175.76 176.49 3a4f s ALA 109 N -1.28 0.51 -0.18 0.00 0.00 -0.25 -0.87 121.76 119.69 3a4f s ALA 109 Ca 0.26 -0.50 0.01 0.00 0.00 0.00 0.00 51.96 51.73 3a4f s ALA 109 Cb -0.12 -0.04 0.03 0.00 0.00 0.00 0.00 23.12 22.99 3a4f s ALA 109 CO 0.18 0.05 -0.12 -1.17 0.00 0.00 0.00 175.76 174.69 3a4f s LEU 110 N -0.85 2.02 -0.12 0.00 2.96 0.56 -1.38 118.68 121.88 3a4f s LEU 110 Ca -0.04 -0.70 -0.02 0.00 -0.22 0.00 0.00 54.13 53.14 3a4f s LEU 110 Cb -0.06 -1.22 -0.03 0.00 0.50 0.00 0.00 46.19 45.38 3a4f s LEU 110 CO 0.00 -0.10 -0.03 -0.76 -1.32 0.00 0.00 176.35 174.14 3a4f s LEU 111 N 1.43 3.36 0.26 -0.68 1.43 -0.11 -1.52 118.68 122.85 3a4f s LEU 111 Ca 0.02 -0.02 0.04 0.00 -1.03 0.00 0.00 54.13 53.14 3a4f s LEU 111 Cb -0.15 -1.78 -0.05 0.00 0.03 0.00 0.00 46.19 44.24 3a4f s LEU 111 CO -0.09 0.27 0.00 -0.44 0.23 0.00 0.00 176.35 176.32 3a4f s SER 112 N -0.25 2.05 0.32 2.29 0.01 0.36 -0.78 113.70 117.70 3a4f s SER 112 Ca 0.05 -1.25 0.05 0.00 1.31 0.00 0.00 55.95 56.11 3a4f s SER 112 Cb -0.13 -0.03 0.55 0.00 0.21 0.00 0.00 66.02 66.62 3a4f s SER 112 CO 0.02 -0.51 1.80 -0.65 0.41 0.00 0.00 173.24 174.31 3a4f h PRO 113 N 2.37 0.39 -0.32 12.44 0.11 -1.99 -2.91 132.00 142.10 3a4f h PRO 113 Ca -0.39 -0.12 0.00 0.00 0.11 0.00 0.00 66.00 65.60 3a4f h PRO 113 Cb 1.23 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.30 3a4f h PRO 113 CO 0.66 0.58 0.00 0.66 -0.21 0.00 0.00 178.00 179.68 3a4f n TYR 114 N -4.17 1.08 -3.61 0.65 4.02 -1.26 -1.21 117.16 112.65 3a4f n TYR 114 Ca -0.00 -0.82 -0.13 0.00 -0.01 0.00 0.00 57.90 56.94 3a4f n TYR 114 Cb 0.35 -0.32 -0.07 0.00 -0.02 0.00 0.00 39.34 39.29 3a4f n TYR 114 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 3a4f s SER 115 N -1.68 -0.60 0.12 7.72 0.15 -1.10 -4.95 113.70 113.36 3a4f s SER 115 Ca 0.43 1.05 -0.06 0.00 0.70 0.00 0.00 55.95 58.06 3a4f s SER 115 Cb 0.34 1.02 -0.02 0.00 -1.71 0.00 0.00 66.02 65.65 3a4f s SER 115 CO 0.11 -0.28 0.16 -0.72 1.20 0.00 0.00 173.24 173.71 3a4f s TYR 116 N -0.06 0.43 0.05 3.44 -0.85 -1.26 -0.49 117.35 118.62 3a4f s TYR 116 Ca -0.01 -0.85 0.08 0.00 -0.52 0.00 0.00 57.07 55.77 3a4f s TYR 116 Cb -0.04 -0.19 -0.03 0.00 0.38 0.00 0.00 41.96 42.08 3a4f s TYR 116 CO 0.00 -0.57 -0.22 0.45 -1.52 0.00 0.00 175.55 173.69 3a4f s SER 117 N -2.94 2.60 0.00 -0.18 0.15 -0.57 -4.97 113.70 107.79 3a4f s SER 117 Ca 0.13 -0.54 0.02 0.00 0.70 0.00 0.00 55.95 56.26 3a4f s SER 117 Cb 0.05 -0.22 -0.01 0.00 -1.71 0.00 0.00 66.02 64.14 3a4f s SER 117 CO -0.05 0.17 -0.06 0.28 1.20 0.00 0.00 173.24 174.79 3a4f s THR 118 N -0.82 0.45 0.01 6.45 -1.32 -1.26 -0.32 115.64 118.83 3a4f s THR 118 Ca 0.08 -0.34 0.02 0.00 -1.21 0.00 0.00 61.69 60.24 3a4f s THR 118 Cb -0.09 -0.40 -0.01 0.00 -1.51 0.00 0.00 72.50 70.49 3a4f s THR 118 CO 0.02 0.06 -0.06 -0.89 -2.21 0.00 0.00 174.62 171.53 3a4f s THR 119 N -0.29 0.48 -0.15 5.08 2.01 -0.05 -4.98 115.64 117.75 3a4f s THR 119 Ca 0.01 -0.56 -0.02 0.00 0.31 0.00 0.00 61.69 61.42 3a4f s THR 119 Cb -0.03 -0.47 -0.02 0.00 0.01 0.00 0.00 72.50 71.99 3a4f s THR 119 CO -0.00 -0.07 -0.08 0.00 -0.69 0.00 0.00 174.62 173.78 3a4f s ALA 120 N -0.61 2.79 -0.22 7.40 0.00 -1.26 -0.67 121.76 129.19 3a4f s ALA 120 Ca -0.02 -0.91 -0.05 0.00 0.00 0.00 0.00 51.96 50.98 3a4f s ALA 120 Cb -0.05 -1.42 -0.02 0.00 0.00 0.00 0.00 23.12 21.63 3a4f s ALA 120 CO 0.00 0.13 0.00 0.08 0.00 0.00 0.00 175.76 175.97 3a4f s VAL 121 N 0.53 3.82 -0.16 0.00 1.01 0.20 -4.97 120.40 120.83 3a4f s VAL 121 Ca -0.06 -0.34 0.01 0.00 0.00 0.00 0.00 61.98 61.59 3a4f s VAL 121 Cb -0.15 -2.75 0.02 0.00 0.00 0.00 0.00 36.38 33.50 3a4f s VAL 121 CO 0.03 0.40 -0.19 -0.69 0.00 0.00 0.00 175.10 174.65 3a4f s VAL 122 N 1.39 1.89 0.17 2.92 1.01 -1.26 -0.93 120.40 125.59 3a4f s VAL 122 Ca 0.05 -0.85 0.07 0.00 0.00 0.00 0.00 61.98 61.25 3a4f s VAL 122 Cb -0.15 -1.71 -0.04 0.00 0.00 0.00 0.00 36.38 34.48 3a4f s VAL 122 CO 0.00 0.51 -0.14 0.42 0.00 0.00 0.00 175.10 175.90 3a4f s THR 123 N 1.20 1.54 -0.28 3.92 -4.23 -0.22 -4.97 115.64 112.58 3a4f s THR 123 Ca 0.01 -2.03 -0.18 0.00 -1.18 0.00 0.00 61.69 58.32 3a4f s THR 123 Cb -0.14 -1.86 -0.02 0.00 1.34 0.00 0.00 72.50 71.82 3a4f s THR 123 CO -0.09 -0.55 0.50 0.21 -0.54 0.00 0.00 174.62 174.15 3a4f s ASN 124 N -3.00 6.38 0.00 3.99 3.84 -1.26 -0.71 114.94 124.18 3a4f s ASN 124 Ca 0.17 0.36 0.00 0.00 0.21 0.00 0.00 52.86 53.60 3a4f s ASN 124 Cb -0.02 -2.27 0.00 0.00 -0.55 0.00 0.00 41.25 38.41 3a4f s ASN 124 CO 0.05 -0.33 0.39 -0.81 -2.79 0.00 0.00 177.10 173.61