#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1soq h PRO 11 N 0.00 0.00 -4.58 0.00 0.11 -1.89 -3.43 132.00 122.20 1soq h PRO 11 Ca 0.00 0.00 -0.60 0.00 0.11 0.00 0.00 66.00 65.51 1soq h PRO 11 Cb 0.00 0.00 -0.36 0.00 0.11 0.00 0.00 31.00 30.75 1soq h PRO 11 CO 0.00 0.07 -0.82 -1.17 -0.21 0.00 0.00 178.00 175.87 1soq s LEU 12 N -6.11 1.85 0.09 2.35 2.96 -1.26 0.79 118.68 119.35 1soq s LEU 12 Ca 0.05 -0.62 0.06 0.00 -0.22 0.00 0.00 54.13 53.41 1soq s LEU 12 Cb 0.06 -1.16 -0.03 0.00 0.50 0.00 0.00 46.19 45.56 1soq s LEU 12 CO 0.70 -0.10 -0.17 -0.04 -1.32 0.00 0.00 176.35 175.43 1soq s MET 13 N 1.48 0.96 -0.06 1.98 -1.94 0.17 -4.72 119.30 117.17 1soq s MET 13 Ca 0.03 -1.07 -0.02 0.00 -1.71 0.00 0.00 55.69 52.92 1soq s MET 13 Cb -0.14 -1.05 0.03 0.00 2.01 0.00 0.00 34.83 35.68 1soq s MET 13 CO -0.10 0.24 0.04 0.08 -0.01 0.00 0.00 175.02 175.27 1soq s VAL 14 N -1.33 0.04 -0.22 -6.03 1.01 -1.26 0.46 120.40 113.08 1soq s VAL 14 Ca 0.02 0.30 -0.01 0.00 0.00 0.00 0.00 61.98 62.29 1soq s VAL 14 Cb -0.09 -0.29 0.01 0.00 0.00 0.00 0.00 36.38 36.01 1soq s VAL 14 CO 0.03 0.18 -0.10 -0.75 0.00 0.00 0.00 175.10 174.46 1soq s LYS 15 N 2.11 3.07 -0.14 2.72 2.20 -0.01 -3.28 119.74 126.41 1soq s LYS 15 Ca 0.05 -0.81 0.00 0.00 -0.36 0.00 0.00 55.97 54.85 1soq s LYS 15 Cb -0.12 -2.85 -0.01 0.00 -1.51 0.00 0.00 37.83 33.34 1soq s LYS 15 CO -0.04 -0.27 -0.15 0.08 -0.36 0.00 0.00 175.35 174.62 1soq s VAL 16 N 1.36 2.84 0.00 4.02 1.01 -0.18 -0.97 120.40 128.49 1soq s VAL 16 Ca 0.04 -0.73 0.08 0.00 0.00 0.00 0.00 61.98 61.37 1soq s VAL 16 Cb -0.15 -2.19 -0.02 0.00 0.00 0.00 0.00 36.38 34.02 1soq s VAL 16 CO -0.07 0.52 -0.25 -0.76 0.00 0.00 0.00 175.10 174.54 1soq s LEU 17 N 0.54 2.17 -0.43 3.92 1.43 0.71 -0.53 118.68 126.48 1soq s LEU 17 Ca -0.09 -0.48 -0.17 0.00 -1.03 0.00 0.00 54.13 52.36 1soq s LEU 17 Cb -0.16 -1.35 0.03 0.00 0.03 0.00 0.00 46.19 44.74 1soq s LEU 17 CO 0.04 0.30 0.43 -0.62 0.23 0.00 0.00 176.35 176.73 1soq s ASP 18 N -0.86 6.18 0.00 2.29 -1.08 0.89 0.12 116.67 124.20 1soq s ASP 18 Ca 0.11 -0.82 0.29 0.00 -0.52 0.00 0.00 52.55 51.61 1soq s ASP 18 Cb -0.10 -2.21 1.20 0.00 -1.46 0.00 0.00 42.92 40.35 1soq s ASP 18 CO 0.00 -0.60 1.87 0.00 0.52 0.00 0.00 175.17 176.97 1soq n ALA 19 N 5.53 2.66 -0.00 3.66 0.00 0.40 -1.54 120.51 131.22 1soq n ALA 19 Ca -0.08 -0.19 -0.02 0.00 0.00 0.00 0.00 53.44 53.14 1soq n ALA 19 Cb 0.47 -1.39 -0.11 0.00 0.00 0.00 0.00 19.45 18.41 1soq n ALA 19 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1soq n VAL 20 N -1.29 1.18 0.11 0.00 0.31 -1.26 -4.49 118.33 112.88 1soq n VAL 20 Ca 0.11 -0.72 0.04 0.00 -0.01 0.00 0.00 64.34 63.76 1soq n VAL 20 Cb 0.30 -0.66 -0.06 0.00 -0.91 0.00 0.00 33.84 32.50 1soq n VAL 20 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1soq n ARG 21 N -2.83 1.38 -2.56 5.55 1.74 -1.19 -5.02 116.66 113.72 1soq n ARG 21 Ca -0.15 -0.06 -0.03 0.00 -0.77 0.00 0.00 57.85 56.85 1soq n ARG 21 Cb 0.91 -1.12 0.01 0.00 -1.02 0.00 0.00 32.46 31.24 1soq n ARG 21 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1soq n GLY 22 N 1.78 0.68 3.44 -0.13 0.00 -0.59 -5.06 105.19 105.31 1soq n GLY 22 Ca -0.01 -0.59 -0.10 0.00 0.00 0.00 0.00 46.02 45.33 1soq n GLY 22 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1soq s SER 23 N -3.02 -0.03 0.41 1.61 1.04 -1.11 -5.01 113.70 107.58 1soq s SER 23 Ca 0.07 -0.89 -0.26 0.00 0.48 0.00 0.00 55.95 55.35 1soq s SER 23 Cb -0.03 0.50 -0.10 0.00 0.10 0.00 0.00 66.02 66.49 1soq s SER 23 CO 0.08 -1.00 1.30 -2.65 0.98 0.00 0.00 173.24 171.96 1soq n PRO 24 N -0.29 2.03 -2.82 4.02 -0.02 -1.26 -0.08 135.00 136.58 1soq n PRO 24 Ca -0.05 0.72 -0.43 0.00 -2.02 0.00 0.00 63.50 61.73 1soq n PRO 24 Cb 0.63 -2.41 -0.04 0.00 -0.02 0.00 0.00 33.50 31.66 1soq n PRO 24 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1soq s ALA 25 N -1.18 3.36 0.19 3.55 0.00 0.31 -4.64 121.76 123.35 1soq s ALA 25 Ca 0.60 -0.55 0.03 0.00 0.00 0.00 0.00 51.96 52.04 1soq s ALA 25 Cb -0.51 -3.55 -0.03 0.00 0.00 0.00 0.00 23.12 19.02 1soq s ALA 25 CO 0.59 -1.72 0.32 0.96 0.00 0.00 0.00 175.76 175.91 1soq s ILE 26 N 3.53 5.29 -1.96 0.00 -4.36 -1.26 -4.22 121.20 118.23 1soq s ILE 26 Ca 0.37 -0.79 0.00 0.00 -0.26 0.00 0.00 60.65 59.97 1soq s ILE 26 Cb -0.11 -3.79 0.00 0.00 1.25 0.00 0.00 42.46 39.80 1soq s ILE 26 CO 0.21 -0.20 0.00 0.59 0.24 0.00 0.00 174.94 175.78 1soq n ASN 27 N -0.92 -5.63 -4.69 4.36 5.03 -0.13 -4.90 115.26 108.38 1soq n ASN 27 Ca -0.08 0.24 -0.42 0.00 0.87 0.00 0.00 54.58 55.19 1soq n ASN 27 Cb 0.55 -4.82 -0.03 0.00 -1.02 0.00 0.00 39.78 34.46 1soq n ASN 27 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 1soq s VAL 28 N -2.89 4.86 0.21 2.41 1.01 -1.26 -4.69 120.40 120.05 1soq s VAL 28 Ca 0.00 1.86 -0.30 0.00 0.00 0.00 0.00 61.98 63.55 1soq s VAL 28 Cb 0.00 -4.23 -0.08 0.00 0.00 0.00 0.00 36.38 32.06 1soq s VAL 28 CO 0.00 0.08 1.16 0.00 0.00 0.00 0.00 175.10 176.34 1soq s ALA 29 N 1.65 3.42 -0.18 5.51 0.00 -1.26 -1.46 121.76 129.45 1soq s ALA 29 Ca 0.45 0.93 -0.03 0.00 0.00 0.00 0.00 51.96 53.31 1soq s ALA 29 Cb -0.18 -3.39 0.06 0.00 0.00 0.00 0.00 23.12 19.60 1soq s ALA 29 CO 0.19 -0.31 0.04 0.08 0.00 0.00 0.00 175.76 175.76 1soq s VAL 30 N -0.33 0.39 -0.22 0.00 1.01 -0.08 -0.57 120.40 120.60 1soq s VAL 30 Ca 0.50 -0.42 -0.09 0.00 0.00 0.00 0.00 61.98 61.98 1soq s VAL 30 Cb -0.32 -0.90 -0.04 0.00 0.00 0.00 0.00 36.38 35.12 1soq s VAL 30 CO 0.38 -0.18 0.10 -1.00 0.00 0.00 0.00 175.10 174.40 1soq s HIS 31 N 1.92 3.24 -0.12 5.22 3.76 -0.10 -1.71 115.29 127.50 1soq s HIS 31 Ca 0.00 0.03 -0.03 0.00 -0.15 0.00 0.00 55.06 54.91 1soq s HIS 31 Cb -0.16 -2.19 -0.03 0.00 1.11 0.00 0.00 32.58 31.30 1soq s HIS 31 CO -0.08 0.01 0.00 0.08 -0.85 0.00 0.00 174.74 173.90 1soq s VAL 32 N 0.91 4.29 0.14 -0.90 1.01 0.85 0.06 120.40 126.77 1soq s VAL 32 Ca 0.05 -0.24 0.08 0.00 0.00 0.00 0.00 61.98 61.87 1soq s VAL 32 Cb -0.13 -2.84 -0.04 0.00 0.00 0.00 0.00 36.38 33.36 1soq s VAL 32 CO 0.03 0.56 -0.17 -0.36 0.00 0.00 0.00 175.10 175.15 1soq s PHE 33 N -0.39 1.69 0.05 5.22 0.08 0.15 -1.23 117.98 123.55 1soq s PHE 33 Ca 0.07 -0.49 0.08 0.00 0.12 0.00 0.00 56.93 56.72 1soq s PHE 33 Cb -0.12 -0.87 -0.03 0.00 -0.57 0.00 0.00 43.02 41.44 1soq s PHE 33 CO 0.02 0.26 -0.24 0.50 -0.10 0.00 0.00 175.22 175.66 1soq s ARG 34 N -2.63 1.61 -0.08 0.44 3.52 0.53 -0.30 118.95 122.04 1soq s ARG 34 Ca 0.12 -1.04 -0.30 0.00 -0.13 0.00 0.00 55.73 54.38 1soq s ARG 34 Cb -0.06 -1.77 -0.03 0.00 -1.56 0.00 0.00 34.95 31.53 1soq s ARG 34 CO 0.05 0.45 1.17 0.21 -0.81 0.00 0.00 175.30 176.38 1soq s LYS 35 N -1.23 4.34 0.76 5.12 2.20 0.19 -0.72 119.74 130.40 1soq s LYS 35 Ca 0.10 1.62 -0.06 0.00 -0.36 0.00 0.00 55.97 57.27 1soq s LYS 35 Cb -0.09 -3.58 0.12 0.00 -1.51 0.00 0.00 37.83 32.76 1soq s LYS 35 CO 0.02 -0.47 1.06 0.00 -0.36 0.00 0.00 175.35 175.60 1soq s ALA 36 N 2.38 3.23 0.24 3.13 0.00 -0.23 -4.76 121.76 125.75 1soq s ALA 36 Ca 0.54 -1.36 -0.04 0.00 0.00 0.00 0.00 51.96 51.10 1soq s ALA 36 Cb -0.23 -2.35 0.39 0.00 0.00 0.00 0.00 23.12 20.93 1soq s ALA 36 CO 0.20 -1.58 1.81 0.00 0.00 0.00 0.00 175.76 176.18 1soq h ALA 37 N -0.76 1.16 0.00 0.00 0.00 -1.95 -0.45 119.26 117.25 1soq h ALA 37 Ca -0.41 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.54 1soq h ALA 37 Cb 1.28 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.94 1soq h ALA 37 CO 0.46 0.08 0.00 -0.40 0.00 0.00 0.00 179.25 179.39 1soq n ASP 38 N -4.75 0.07 -1.53 0.00 3.85 -1.26 -4.84 116.55 108.08 1soq n ASP 38 Ca 0.13 -1.65 -0.17 0.00 -0.71 0.00 0.00 54.79 52.40 1soq n ASP 38 Cb 0.28 -0.03 -0.04 0.00 -1.35 0.00 0.00 41.12 39.97 1soq n ASP 38 CO 0.00 0.00 0.00 0.47 -1.01 0.00 0.00 177.20 176.66 1soq n ASP 39 N -0.45 -4.97 -5.00 -1.12 9.92 -0.18 -5.01 116.55 109.74 1soq n ASP 39 Ca 0.00 0.23 -0.19 0.00 -0.53 0.00 0.00 54.79 54.31 1soq n ASP 39 Cb 0.02 -3.99 0.02 0.00 -0.64 0.00 0.00 41.12 36.52 1soq n ASP 39 CO 0.00 0.00 0.00 0.42 0.13 0.00 0.00 177.20 177.75 1soq s THR 40 N -2.71 2.64 -0.26 -3.53 -4.23 -1.26 -4.86 115.64 101.43 1soq s THR 40 Ca 0.00 -1.06 -0.12 0.00 -1.18 0.00 0.00 61.69 59.33 1soq s THR 40 Cb 0.00 -2.69 -0.05 0.00 1.34 0.00 0.00 72.50 71.10 1soq s THR 40 CO 0.00 0.00 0.24 0.26 -0.54 0.00 0.00 174.62 174.58 1soq s TRP 41 N -2.48 3.25 -0.12 3.99 0.52 -1.26 -1.06 118.94 121.78 1soq s TRP 41 Ca 0.56 0.23 -0.02 0.00 0.02 0.00 0.00 56.10 56.89 1soq s TRP 41 Cb -0.08 -2.41 -0.03 0.00 -1.15 0.00 0.00 33.47 29.81 1soq s TRP 41 CO 0.34 -0.12 -0.03 -2.00 0.02 0.00 0.00 176.95 175.16 1soq s GLU 42 N 1.65 3.29 0.27 4.98 2.12 0.11 -4.91 118.70 126.21 1soq s GLU 42 Ca 0.10 -0.49 -0.31 0.00 0.36 0.00 0.00 54.97 54.63 1soq s GLU 42 Cb -0.15 -2.82 -0.12 0.00 0.26 0.00 0.00 34.13 31.29 1soq s GLU 42 CO 0.09 0.46 1.54 -2.30 -0.54 0.00 0.00 175.26 174.52 1soq n PRO 43 N 2.86 2.47 0.00 4.30 -0.02 -1.26 -0.35 135.00 143.00 1soq n PRO 43 Ca -0.18 0.88 0.00 0.00 -2.02 0.00 0.00 63.50 62.18 1soq n PRO 43 Cb 0.53 -2.62 0.00 0.00 -0.02 0.00 0.00 33.50 31.38 1soq n PRO 43 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1soq n PHE 44 N 2.23 0.00 -3.74 6.00 7.35 -0.36 -4.78 117.46 124.16 1soq n PHE 44 Ca 0.10 0.00 -0.10 0.00 -0.76 0.00 0.00 57.45 56.70 1soq n PHE 44 Cb 0.35 0.03 -0.06 0.00 0.35 0.00 0.00 39.48 40.15 1soq n PHE 44 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1soq s ALA 45 N -1.94 -0.63 -0.23 3.13 0.00 -1.03 -4.98 121.76 116.07 1soq s ALA 45 Ca 0.00 -0.31 -0.24 0.00 0.00 0.00 0.00 51.96 51.41 1soq s ALA 45 Cb 0.00 0.65 0.07 0.00 0.00 0.00 0.00 23.12 23.83 1soq s ALA 45 CO 0.00 -0.61 0.67 0.45 0.00 0.00 0.00 175.76 176.27 1soq s SER 46 N -2.84 -0.69 0.04 0.00 0.15 -1.26 -0.10 113.70 108.99 1soq s SER 46 Ca 0.05 1.27 -0.14 0.00 0.70 0.00 0.00 55.95 57.83 1soq s SER 46 Cb 0.03 1.26 0.05 0.00 -1.71 0.00 0.00 66.02 65.65 1soq s SER 46 CO -0.10 -0.29 0.63 0.61 1.20 0.00 0.00 173.24 175.30 1soq n GLY 47 N 2.46 0.64 3.08 9.45 0.00 -0.70 -5.01 105.19 115.12 1soq n GLY 47 Ca -0.15 -0.99 -0.22 0.00 0.00 0.00 0.00 46.02 44.66 1soq n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1soq s LYS 48 N -2.02 1.15 0.40 1.61 1.02 -1.26 -0.90 119.74 119.74 1soq s LYS 48 Ca 0.15 -0.45 -0.26 0.00 0.02 0.00 0.00 55.97 55.42 1soq s LYS 48 Cb -0.01 -1.08 -0.09 0.00 -0.52 0.00 0.00 37.83 36.13 1soq s LYS 48 CO 0.01 0.24 1.34 0.95 -0.92 0.00 0.00 175.35 176.96 1soq s THR 49 N -0.13 2.50 0.19 2.17 -4.23 -0.53 -4.53 115.64 111.08 1soq s THR 49 Ca 0.02 0.46 -0.03 0.00 -1.18 0.00 0.00 61.69 60.95 1soq s THR 49 Cb -0.07 -3.27 0.05 0.00 1.34 0.00 0.00 72.50 70.54 1soq s THR 49 CO 0.00 0.07 0.20 -1.54 -0.54 0.00 0.00 174.62 172.82 1soq n SER 50 N 0.17 -0.72 0.22 3.99 3.41 0.30 -0.95 113.62 120.03 1soq n SER 50 Ca 0.03 -0.79 0.06 0.00 -0.26 0.00 0.00 58.87 57.90 1soq n SER 50 Cb 0.43 -0.17 0.48 0.00 -0.26 0.00 0.00 64.21 64.69 1soq n SER 50 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 1soq h GLU 51 N 0.00 0.00 -0.35 4.33 4.81 -1.92 -0.05 114.58 121.40 1soq h GLU 51 Ca -0.07 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.16 1soq h GLU 51 Cb 0.21 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.59 1soq h GLU 51 CO 0.05 0.25 0.00 -1.13 -0.73 0.00 0.00 179.01 177.45 1soq n SER 52 N -4.09 1.70 -1.47 1.04 3.41 -1.26 -4.67 113.62 108.28 1soq n SER 52 Ca -0.02 -2.04 -0.16 0.00 -0.26 0.00 0.00 58.87 56.39 1soq n SER 52 Cb 0.31 -0.24 -0.04 0.00 -0.26 0.00 0.00 64.21 63.98 1soq n SER 52 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1soq n GLY 53 N 0.88 0.79 3.74 5.00 0.00 -0.03 -4.80 105.19 110.77 1soq n GLY 53 Ca 0.10 -0.25 -0.24 0.00 0.00 0.00 0.00 46.02 45.63 1soq n GLY 53 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1soq s GLU 54 N -3.96 2.29 0.07 1.61 2.02 -1.26 -1.01 118.70 118.46 1soq s GLU 54 Ca 0.00 -1.71 0.01 0.00 0.02 0.00 0.00 54.97 53.29 1soq s GLU 54 Cb 0.00 -2.08 -0.04 0.00 0.10 0.00 0.00 34.13 32.11 1soq s GLU 54 CO 0.00 -0.02 0.20 -0.51 0.02 0.00 0.00 175.26 174.94 1soq s LEU 55 N -3.89 4.28 -0.96 1.80 1.43 -1.20 0.11 118.68 120.25 1soq s LEU 55 Ca 0.40 0.22 -0.07 0.00 -1.03 0.00 0.00 54.13 53.66 1soq s LEU 55 Cb 0.01 -2.89 0.24 0.00 0.03 0.00 0.00 46.19 43.58 1soq s LEU 55 CO 0.23 0.16 0.89 -1.00 0.23 0.00 0.00 176.35 176.86 1soq s HIS 56 N -1.51 4.00 -0.09 0.29 3.76 -1.26 -4.92 115.29 115.55 1soq s HIS 56 Ca 0.34 -2.72 -0.07 0.00 -0.15 0.00 0.00 55.06 52.46 1soq s HIS 56 Cb -0.13 -3.57 0.03 0.00 1.11 0.00 0.00 32.58 30.02 1soq s HIS 56 CO 0.27 -0.87 0.13 0.41 -0.85 0.00 0.00 174.74 173.83 1soq n GLY 57 N 2.80 -5.22 0.02 -2.22 0.00 -1.26 -5.03 105.19 94.28 1soq n GLY 57 Ca 0.20 0.92 -0.02 0.00 0.00 0.00 0.00 46.02 47.12 1soq n GLY 57 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1soq n LEU 58 N 1.54 0.00 -3.83 0.99 4.77 -1.26 -4.97 117.00 114.24 1soq n LEU 58 Ca -0.22 0.00 -0.06 0.00 -0.03 0.00 0.00 56.01 55.69 1soq n LEU 58 Cb 0.34 0.11 0.01 0.00 -2.33 0.00 0.00 43.42 41.54 1soq n LEU 58 CO 0.21 0.11 0.60 0.28 -1.33 0.00 0.00 177.39 177.26 1soq s THR 59 N -2.16 0.00 0.29 -5.08 -1.32 -1.26 -4.68 115.64 101.43 1soq s THR 59 Ca -0.02 -0.87 0.06 0.00 -1.21 0.00 0.00 61.69 59.65 1soq s THR 59 Cb 0.02 -2.52 -0.06 0.00 -1.51 0.00 0.00 72.50 68.42 1soq s THR 59 CO 0.21 0.00 -0.04 0.42 -2.21 0.00 0.00 174.62 173.00 1soq s THR 60 N -2.83 1.59 0.22 5.08 -4.23 -1.26 -3.79 115.64 110.42 1soq s THR 60 Ca 0.15 -2.10 -0.10 0.00 -1.18 0.00 0.00 61.69 58.46 1soq s THR 60 Cb -0.04 -2.50 0.20 0.00 1.34 0.00 0.00 72.50 71.50 1soq s THR 60 CO 0.08 -0.26 1.67 -0.08 -0.54 0.00 0.00 174.62 175.49 1soq h GLU 61 N 2.25 0.14 -0.19 3.99 4.81 -1.99 -0.04 114.58 123.54 1soq h GLU 61 Ca -0.40 -0.01 -0.10 0.00 -0.13 0.00 0.00 59.36 58.72 1soq h GLU 61 Cb 1.23 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.57 1soq h GLU 61 CO 0.68 0.09 -0.32 0.93 -0.73 0.00 0.00 179.01 179.67 1soq h GLU 62 N 0.15 0.39 0.02 1.92 3.07 -2.04 -3.12 114.58 114.97 1soq h GLU 62 Ca 0.34 -0.16 -0.22 0.00 -0.50 0.00 0.00 59.36 58.82 1soq h GLU 62 Cb 0.55 -0.02 -0.02 0.00 -0.84 0.00 0.00 28.75 28.43 1soq h GLU 62 CO -0.52 0.67 -1.02 0.93 -1.40 0.00 0.00 179.01 177.67 1soq h GLU 63 N 0.34 0.07 -4.19 2.33 5.08 -1.70 -3.39 114.58 113.11 1soq h GLU 63 Ca 0.04 -0.10 -0.69 0.00 -1.00 0.00 0.00 59.36 57.61 1soq h GLU 63 Cb 0.73 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.01 1soq h GLU 63 CO 0.06 1.02 2.81 0.34 -1.00 0.00 0.00 179.01 182.23 1soq n PHE 64 N -3.43 2.90 -1.81 4.33 7.35 -0.12 -4.93 117.46 121.75 1soq n PHE 64 Ca -0.02 -2.52 -0.31 0.00 -0.76 0.00 0.00 57.45 53.84 1soq n PHE 64 Cb 0.93 -2.23 0.02 0.00 0.35 0.00 0.00 39.48 38.56 1soq n PHE 64 CO 0.00 0.00 0.00 0.14 -0.76 0.00 0.00 176.76 176.14 1soq s VAL 65 N 3.92 4.30 -0.03 -2.13 -7.23 -1.26 -4.88 120.40 113.09 1soq s VAL 65 Ca 0.51 0.81 -0.35 0.00 -1.81 0.00 0.00 61.98 61.14 1soq s VAL 65 Cb 0.14 -3.60 -0.14 0.00 0.56 0.00 0.00 36.38 33.35 1soq s VAL 65 CO -0.01 -0.91 1.71 1.21 -0.31 0.00 0.00 175.10 176.79 1soq n GLU 66 N -2.73 1.89 0.00 4.82 2.13 -1.26 -4.82 120.64 120.67 1soq n GLU 66 Ca 0.07 0.69 0.00 0.00 0.66 0.00 0.00 57.16 58.58 1soq n GLU 66 Cb 0.54 -2.46 0.00 0.00 0.27 0.00 0.00 31.44 29.78 1soq n GLU 66 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1soq n GLY 67 N 3.87 -0.36 3.64 8.31 0.00 -1.11 -5.02 105.19 114.52 1soq n GLY 67 Ca 0.21 -1.05 -0.40 0.00 0.00 0.00 0.00 46.02 44.79 1soq n GLY 67 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1soq s ILE 68 N -2.00 5.09 0.14 -0.61 1.01 -1.26 -1.62 121.20 121.95 1soq s ILE 68 Ca 0.00 0.91 0.09 0.00 0.00 0.00 0.00 60.65 61.65 1soq s ILE 68 Cb 0.00 -3.83 -0.04 0.00 0.01 0.00 0.00 42.46 38.60 1soq s ILE 68 CO 0.00 0.13 -0.13 -0.31 0.00 0.00 0.00 174.94 174.62 1soq s TYR 69 N 2.00 2.60 -0.11 3.97 1.51 -0.11 -0.64 117.35 126.57 1soq s TYR 69 Ca 0.22 -0.23 -0.00 0.00 -1.01 0.00 0.00 57.07 56.05 1soq s TYR 69 Cb -0.15 -1.33 0.02 0.00 -0.11 0.00 0.00 41.96 40.39 1soq s TYR 69 CO 0.09 0.45 -0.08 0.21 -1.11 0.00 0.00 175.55 175.11 1soq s LYS 70 N -2.43 1.52 -0.29 -0.62 2.20 0.59 -1.60 119.74 119.10 1soq s LYS 70 Ca 0.21 -0.26 -0.07 0.00 -0.36 0.00 0.00 55.97 55.50 1soq s LYS 70 Cb -0.10 -1.57 0.00 0.00 -1.51 0.00 0.00 37.83 34.66 1soq s LYS 70 CO 0.13 -0.25 0.09 0.08 -0.36 0.00 0.00 175.35 175.03 1soq s VAL 71 N 1.66 4.07 -0.25 4.02 1.01 0.57 0.31 120.40 131.79 1soq s VAL 71 Ca 0.04 -0.62 -0.07 0.00 0.00 0.00 0.00 61.98 61.33 1soq s VAL 71 Cb -0.13 -3.08 -0.03 0.00 0.00 0.00 0.00 36.38 33.15 1soq s VAL 71 CO -0.08 0.10 0.07 -0.70 0.00 0.00 0.00 175.10 174.49 1soq s GLU 72 N 1.52 3.65 -0.28 2.72 2.12 0.11 -0.90 118.70 127.63 1soq s GLU 72 Ca 0.03 -0.48 -0.09 0.00 0.36 0.00 0.00 54.97 54.79 1soq s GLU 72 Cb -0.17 -3.31 -0.02 0.00 0.26 0.00 0.00 34.13 30.88 1soq s GLU 72 CO 0.03 -0.19 0.13 0.42 -0.54 0.00 0.00 175.26 175.11 1soq s ILE 73 N 1.61 4.63 -1.16 -3.70 1.01 0.22 -0.92 121.20 122.89 1soq s ILE 73 Ca 0.06 -0.23 -0.21 0.00 0.00 0.00 0.00 60.65 60.28 1soq s ILE 73 Cb -0.15 -3.27 0.05 0.00 0.01 0.00 0.00 42.46 39.11 1soq s ILE 73 CO 0.03 0.19 1.62 -0.62 0.00 0.00 0.00 174.94 176.16 1soq s ASP 74 N 1.64 6.59 0.08 3.58 2.15 0.26 -1.75 116.67 129.22 1soq s ASP 74 Ca 0.06 -1.92 -0.06 0.00 0.43 0.00 0.00 52.55 51.06 1soq s ASP 74 Cb -0.16 -2.58 -0.25 0.00 -0.30 0.00 0.00 42.92 39.63 1soq s ASP 74 CO 0.06 -1.42 1.16 0.71 -0.17 0.00 0.00 175.17 175.52 1soq h THR 75 N 6.20 1.46 -1.00 1.71 1.35 -1.87 -3.26 112.91 117.50 1soq h THR 75 Ca 0.32 -2.89 0.10 0.00 -0.55 0.00 0.00 66.41 63.39 1soq h THR 75 Cb 0.94 2.84 -0.08 0.00 -1.73 0.00 0.00 68.15 70.12 1soq h THR 75 CO 1.43 0.85 0.63 0.50 -0.25 0.00 0.00 175.52 178.69 1soq h LYS 76 N 0.12 1.03 -0.18 4.72 3.64 -1.73 0.03 116.57 124.20 1soq h LYS 76 Ca -0.13 -0.06 -0.16 0.00 -1.27 0.00 0.00 60.65 59.03 1soq h LYS 76 Cb 1.90 -0.23 0.00 0.00 -0.41 0.00 0.00 32.23 33.50 1soq h LYS 76 CO 0.20 0.68 -0.50 0.77 -2.27 0.00 0.00 179.45 178.33 1soq h SER 77 N 1.06 0.75 0.07 4.20 0.02 -1.87 -0.66 113.55 117.12 1soq h SER 77 Ca 0.47 -0.59 0.03 0.00 -0.84 0.00 0.00 61.79 60.86 1soq h SER 77 Cb 0.36 -0.22 -0.05 0.00 0.14 0.00 0.00 62.40 62.63 1soq h SER 77 CO -0.23 1.20 -0.37 0.22 -1.14 0.00 0.00 176.83 176.51 1soq h TYR 78 N 0.33 -1.03 -0.55 3.45 3.20 -1.43 0.28 116.97 121.22 1soq h TYR 78 Ca -0.01 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.88 1soq h TYR 78 Cb 1.12 0.44 -0.03 0.00 1.54 0.00 0.00 36.73 39.81 1soq h TYR 78 CO 0.09 -0.47 0.31 -1.49 -1.64 0.00 0.00 178.16 174.96 1soq h TRP 79 N -0.57 0.73 -0.45 -3.82 -0.00 -1.02 -2.72 115.95 108.09 1soq h TRP 79 Ca 0.04 -0.00 -0.08 0.00 -0.00 0.00 0.00 58.89 58.85 1soq h TRP 79 Cb 0.62 -0.24 -0.02 0.00 -0.00 0.00 0.00 29.16 29.53 1soq h TRP 79 CO -0.35 0.50 -0.02 0.87 -0.00 0.00 0.00 178.44 179.44 1soq h LYS 80 N 0.76 0.81 0.00 0.49 1.79 -0.03 -1.56 116.57 118.84 1soq h LYS 80 Ca 0.20 -0.27 0.00 0.00 -2.18 0.00 0.00 60.65 58.40 1soq h LYS 80 Cb 0.01 -0.07 0.00 0.00 -1.58 0.00 0.00 32.23 30.59 1soq h LYS 80 CO -0.03 0.88 0.00 0.00 -1.08 0.00 0.00 179.45 179.22 1soq n ALA 81 N -2.43 1.02 0.52 3.86 0.00 0.89 -1.31 120.51 123.05 1soq n ALA 81 Ca 0.00 0.02 0.06 0.00 0.00 0.00 0.00 53.44 53.52 1soq n ALA 81 Cb 0.32 -1.03 0.01 0.00 0.00 0.00 0.00 19.45 18.75 1soq n ALA 81 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1soq n LEU 82 N -1.56 1.51 0.00 0.00 4.77 -0.86 -4.99 117.00 115.88 1soq n LEU 82 Ca -0.00 -0.83 0.00 0.00 -0.03 0.00 0.00 56.01 55.15 1soq n LEU 82 Cb 0.01 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.10 1soq n LEU 82 CO 0.01 0.29 0.00 0.61 -1.33 0.00 0.00 177.39 176.97 1soq n GLY 83 N 0.90 0.66 3.87 -0.72 0.00 -0.43 -5.08 105.19 104.39 1soq n GLY 83 Ca 0.05 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.72 1soq n GLY 83 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1soq s ILE 84 N -2.11 5.37 -0.59 -0.61 1.01 -0.64 -5.01 121.20 118.62 1soq s ILE 84 Ca 0.00 0.02 -0.12 0.00 0.00 0.00 0.00 60.65 60.55 1soq s ILE 84 Cb 0.00 -3.40 0.15 0.00 0.01 0.00 0.00 42.46 39.22 1soq s ILE 84 CO 0.00 0.50 0.51 -0.44 0.00 0.00 0.00 174.94 175.51 1soq s SER 85 N -1.38 6.08 0.79 3.58 0.01 -1.26 -3.62 113.70 117.90 1soq s SER 85 Ca 0.20 -2.13 -0.09 0.00 1.31 0.00 0.00 55.95 55.23 1soq s SER 85 Cb -0.12 -2.11 0.11 0.00 0.21 0.00 0.00 66.02 64.11 1soq s SER 85 CO 0.10 -0.70 1.12 -2.16 0.41 0.00 0.00 173.24 172.01 1soq s PRO 86 N 1.04 1.64 -0.12 12.44 0.04 -1.26 -5.00 135.00 143.78 1soq s PRO 86 Ca 0.09 -0.40 -0.22 0.00 0.04 0.00 0.00 61.00 60.51 1soq s PRO 86 Cb -0.23 -2.08 -0.26 0.00 0.04 0.00 0.00 34.50 31.97 1soq s PRO 86 CO -0.02 -1.65 0.61 0.35 0.04 0.00 0.00 177.00 176.33 1soq h PHE 87 N -0.94 0.25 -3.48 0.56 3.57 -1.49 -3.48 116.94 111.94 1soq h PHE 87 Ca -0.43 -0.18 -0.53 0.00 3.53 0.00 0.00 57.97 60.35 1soq h PHE 87 Cb 1.29 -0.01 -0.03 0.00 2.79 0.00 0.00 35.95 39.98 1soq h PHE 87 CO -0.18 1.35 -0.01 -1.01 -2.23 0.00 0.00 178.31 176.23 1soq s HIS 88 N -2.38 3.54 0.23 0.41 3.76 -1.26 -4.97 115.29 114.62 1soq s HIS 88 Ca -0.20 1.13 0.05 0.00 -0.15 0.00 0.00 55.06 55.90 1soq s HIS 88 Cb 0.02 -2.44 0.21 0.00 1.11 0.00 0.00 32.58 31.48 1soq s HIS 88 CO 0.72 0.32 1.53 0.93 -0.85 0.00 0.00 174.74 177.39 1soq h GLU 89 N 3.10 0.17 0.00 1.40 4.39 -1.99 -3.37 114.58 118.29 1soq h GLU 89 Ca -0.48 -0.13 0.22 0.00 0.34 0.00 0.00 59.36 59.31 1soq h GLU 89 Cb 1.19 0.03 -0.04 0.00 -0.10 0.00 0.00 28.75 29.82 1soq h GLU 89 CO 0.66 0.78 0.69 -2.39 -1.16 0.00 0.00 179.01 177.59 1soq n HIS 90 N -3.80 -0.98 -4.37 4.33 1.44 -1.26 -3.97 115.22 106.60 1soq n HIS 90 Ca -0.02 -1.04 -0.30 0.00 -2.01 0.00 0.00 57.72 54.35 1soq n HIS 90 Cb 0.66 0.50 -0.17 0.00 0.12 0.00 0.00 29.99 31.11 1soq n HIS 90 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1soq s ALA 91 N -2.00 1.90 -0.08 1.59 0.00 -0.72 -4.90 121.76 117.55 1soq s ALA 91 Ca 0.25 -0.88 0.02 0.00 0.00 0.00 0.00 51.96 51.34 1soq s ALA 91 Cb -0.02 -0.95 -0.02 0.00 0.00 0.00 0.00 23.12 22.13 1soq s ALA 91 CO 0.03 -0.16 -0.12 -1.21 0.00 0.00 0.00 175.76 174.30 1soq s GLU 92 N 1.10 2.83 -0.21 0.00 2.02 -1.26 -0.61 118.70 122.56 1soq s GLU 92 Ca -0.03 -0.65 0.00 0.00 0.02 0.00 0.00 54.97 54.31 1soq s GLU 92 Cb -0.14 -2.52 0.05 0.00 0.10 0.00 0.00 34.13 31.63 1soq s GLU 92 CO -0.05 0.52 -0.05 0.08 0.02 0.00 0.00 175.26 175.78 1soq s VAL 93 N -0.44 1.35 -0.16 2.63 1.01 -0.08 -4.98 120.40 119.73 1soq s VAL 93 Ca 0.06 -1.01 0.01 0.00 0.00 0.00 0.00 61.98 61.04 1soq s VAL 93 Cb -0.12 -1.60 0.01 0.00 0.00 0.00 0.00 36.38 34.66 1soq s VAL 93 CO 0.02 -0.04 -0.18 -0.69 0.00 0.00 0.00 175.10 174.21 1soq s VAL 94 N 1.49 2.35 0.07 2.92 1.01 -1.26 -0.31 120.40 126.67 1soq s VAL 94 Ca -0.04 -0.87 -0.17 0.00 0.00 0.00 0.00 61.98 60.91 1soq s VAL 94 Cb -0.18 -1.98 0.03 0.00 0.00 0.00 0.00 36.38 34.26 1soq s VAL 94 CO -0.07 0.53 0.40 0.72 0.00 0.00 0.00 175.10 176.67 1soq s PHE 95 N 0.97 -0.23 0.03 5.22 -0.71 -0.63 -5.00 117.98 117.62 1soq s PHE 95 Ca -0.03 0.08 -0.25 0.00 -1.04 0.00 0.00 56.93 55.69 1soq s PHE 95 Cb -0.15 0.22 -0.05 0.00 -1.21 0.00 0.00 43.02 41.83 1soq s PHE 95 CO -0.04 -0.61 0.76 0.99 -1.34 0.00 0.00 175.22 174.98 1soq s THR 96 N -2.96 4.79 0.18 -4.49 2.01 -1.26 -0.93 115.64 112.97 1soq s THR 96 Ca -0.02 1.61 0.10 0.00 0.31 0.00 0.00 61.69 63.69 1soq s THR 96 Cb 0.00 -4.11 -0.04 0.00 0.01 0.00 0.00 72.50 68.36 1soq s THR 96 CO -0.06 0.34 -0.22 0.00 -0.69 0.00 0.00 174.62 173.99 1soq s ALA 97 N 0.10 2.34 -1.25 7.40 0.00 -0.64 -4.79 121.76 124.93 1soq s ALA 97 Ca 0.39 -1.58 0.00 0.00 0.00 0.00 0.00 51.96 50.77 1soq s ALA 97 Cb -0.20 -0.28 0.00 0.00 0.00 0.00 0.00 23.12 22.64 1soq s ALA 97 CO 0.22 0.37 0.00 0.09 0.00 0.00 0.00 175.76 176.44 1soq n ASN 98 N 0.31 -4.25 0.22 0.00 3.02 -1.26 -2.74 115.26 110.55 1soq n ASN 98 Ca -0.13 0.18 0.15 0.00 -0.03 0.00 0.00 54.58 54.74 1soq n ASN 98 Cb 0.56 -3.63 0.48 0.00 -0.61 0.00 0.00 39.78 36.58 1soq n ASN 98 CO 0.00 0.00 0.00 -0.78 -2.62 0.00 0.00 177.26 173.86 1soq h ASP 99 N 0.00 0.00 0.00 6.41 -0.00 -1.93 -3.31 116.42 117.59 1soq h ASP 99 Ca -0.33 0.00 -0.09 0.00 -0.00 0.00 0.00 57.03 56.61 1soq h ASP 99 Cb 1.21 0.00 -0.20 0.00 -0.00 0.00 0.00 39.33 40.34 1soq h ASP 99 CO 0.40 0.00 -0.75 -1.20 -0.00 0.00 0.00 179.24 177.69 1soq n SER 100 N -2.88 1.30 0.00 2.28 7.64 -1.26 -5.09 113.62 115.62 1soq n SER 100 Ca 0.02 -2.83 0.00 0.00 1.01 0.00 0.00 58.87 57.07 1soq n SER 100 Cb 0.37 -0.40 0.00 0.00 -1.01 0.00 0.00 64.21 63.18 1soq n SER 100 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1soq n GLY 101 N -0.27 2.14 3.76 0.23 0.00 -1.25 -5.05 105.19 104.76 1soq n GLY 101 Ca 0.12 -2.09 -0.33 0.00 0.00 0.00 0.00 46.02 43.72 1soq n GLY 101 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1soq s PRO 102 N -2.03 2.61 0.10 1.61 0.02 -1.26 -4.36 135.00 131.68 1soq s PRO 102 Ca 0.00 1.38 -0.15 0.00 0.02 0.00 0.00 61.00 62.25 1soq s PRO 102 Cb 0.00 -1.93 0.03 0.00 0.02 0.00 0.00 34.50 32.62 1soq s PRO 102 CO 0.00 -1.40 0.35 1.03 -0.33 0.00 0.00 177.00 176.65 1soq s ARG 103 N -4.25 0.97 -0.18 5.54 1.81 -1.26 -4.92 118.95 116.66 1soq s ARG 103 Ca 0.66 -0.68 -0.09 0.00 -1.72 0.00 0.00 55.73 53.90 1soq s ARG 103 Cb -0.20 0.42 -0.05 0.00 -0.45 0.00 0.00 34.95 34.67 1soq s ARG 103 CO 0.45 -0.36 0.11 0.50 -0.68 0.00 0.00 175.30 175.32 1soq s ARG 104 N -3.49 3.97 -0.08 3.54 3.52 -0.58 -4.85 118.95 121.00 1soq s ARG 104 Ca 0.01 -0.25 0.05 0.00 -0.13 0.00 0.00 55.73 55.41 1soq s ARG 104 Cb 0.02 -3.30 -0.01 0.00 -1.56 0.00 0.00 34.95 30.10 1soq s ARG 104 CO -0.10 0.38 -0.24 0.71 -0.81 0.00 0.00 175.30 175.25 1soq s TYR 105 N 0.11 2.51 -0.15 5.12 1.51 0.24 -1.30 117.35 125.38 1soq s TYR 105 Ca 0.08 -0.84 0.00 0.00 -1.01 0.00 0.00 57.07 55.30 1soq s TYR 105 Cb -0.12 -1.65 0.03 0.00 -0.11 0.00 0.00 41.96 40.11 1soq s TYR 105 CO -0.00 -0.29 -0.12 0.99 -1.11 0.00 0.00 175.55 175.02 1soq s THR 106 N 0.05 1.46 -0.37 -0.71 2.01 0.05 0.46 115.64 118.58 1soq s THR 106 Ca -0.10 -0.63 -0.15 0.00 0.31 0.00 0.00 61.69 61.12 1soq s THR 106 Cb -0.15 -1.43 0.00 0.00 0.01 0.00 0.00 72.50 70.93 1soq s THR 106 CO 0.06 0.37 0.33 -0.63 -0.69 0.00 0.00 174.62 174.07 1soq s ILE 107 N 1.52 5.20 -0.03 1.82 -1.09 0.17 -0.97 121.20 127.82 1soq s ILE 107 Ca 0.04 -0.27 -0.20 0.00 -2.23 0.00 0.00 60.65 57.99 1soq s ILE 107 Cb -0.13 -3.87 -0.05 0.00 -1.58 0.00 0.00 42.46 36.83 1soq s ILE 107 CO -0.10 -0.20 0.58 -0.31 -1.23 0.00 0.00 174.94 173.69 1soq s TYR 108 N 1.89 3.64 -0.12 3.97 1.51 0.58 -0.83 117.35 127.99 1soq s TYR 108 Ca 0.09 1.14 -0.01 0.00 -1.01 0.00 0.00 57.07 57.28 1soq s TYR 108 Cb -0.17 -2.61 0.04 0.00 -0.11 0.00 0.00 41.96 39.10 1soq s TYR 108 CO 0.11 0.29 -0.02 0.00 -1.11 0.00 0.00 175.55 174.83 1soq s ALA 109 N 0.06 1.04 -0.26 3.71 0.00 -0.14 -1.42 121.76 124.74 1soq s ALA 109 Ca 0.31 -0.46 -0.08 0.00 0.00 0.00 0.00 51.96 51.73 1soq s ALA 109 Cb -0.18 -0.94 -0.03 0.00 0.00 0.00 0.00 23.12 21.98 1soq s ALA 109 CO 0.16 -0.66 0.08 -1.21 0.00 0.00 0.00 175.76 174.13 1soq s GLU 110 N 1.83 3.61 -0.10 0.00 2.02 -0.77 -0.21 118.70 125.08 1soq s GLU 110 Ca 0.03 -0.51 -0.03 0.00 0.02 0.00 0.00 54.97 54.48 1soq s GLU 110 Cb -0.14 -3.37 -0.03 0.00 0.10 0.00 0.00 34.13 30.69 1soq s GLU 110 CO -0.07 -0.22 0.01 -0.51 0.02 0.00 0.00 175.26 174.49 1soq s LEU 111 N 1.62 3.63 0.12 1.80 1.43 0.12 -2.19 118.68 125.21 1soq s LEU 111 Ca 0.06 0.14 0.04 0.00 -1.03 0.00 0.00 54.13 53.34 1soq s LEU 111 Cb -0.15 -1.84 -0.04 0.00 0.03 0.00 0.00 46.19 44.18 1soq s LEU 111 CO 0.04 0.35 -0.09 -0.44 0.23 0.00 0.00 176.35 176.44 1soq s SER 112 N -0.70 1.54 0.30 2.29 0.01 -0.06 -0.45 113.70 116.63 1soq s SER 112 Ca 0.11 -0.97 0.05 0.00 1.31 0.00 0.00 55.95 56.45 1soq s SER 112 Cb -0.12 0.02 0.68 0.00 0.21 0.00 0.00 66.02 66.82 1soq s SER 112 CO 0.02 -0.35 1.81 -0.65 0.41 0.00 0.00 173.24 174.48 1soq h PRO 113 N 3.00 0.82 -0.19 12.44 0.11 -1.99 -2.61 132.00 143.59 1soq h PRO 113 Ca -0.36 -0.05 -0.05 0.00 0.11 0.00 0.00 66.00 65.65 1soq h PRO 113 Cb 1.18 -0.19 -0.03 0.00 0.11 0.00 0.00 31.00 32.08 1soq h PRO 113 CO 0.61 0.54 -0.08 0.66 -0.21 0.00 0.00 178.00 179.53 1soq n TYR 114 N -4.67 0.63 -3.57 0.65 4.02 -1.26 -1.15 117.16 111.81 1soq n TYR 114 Ca 0.21 -1.18 -0.16 0.00 -0.01 0.00 0.00 57.90 56.76 1soq n TYR 114 Cb 0.48 -0.31 -0.06 0.00 -0.02 0.00 0.00 39.34 39.42 1soq n TYR 114 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 1soq s SER 115 N -2.50 -0.67 0.05 7.72 0.15 -0.98 -4.99 113.70 112.48 1soq s SER 115 Ca 0.40 0.99 -0.11 0.00 0.70 0.00 0.00 55.95 57.92 1soq s SER 115 Cb 0.35 0.90 0.01 0.00 -1.71 0.00 0.00 66.02 65.57 1soq s SER 115 CO 0.03 -0.43 0.25 -0.72 1.20 0.00 0.00 173.24 173.57 1soq s TYR 116 N -0.50 -0.02 0.06 3.44 -0.85 -1.26 -0.88 117.35 117.35 1soq s TYR 116 Ca -0.05 -0.19 0.05 0.00 -0.52 0.00 0.00 57.07 56.35 1soq s TYR 116 Cb -0.02 0.03 -0.03 0.00 0.38 0.00 0.00 41.96 42.32 1soq s TYR 116 CO 0.05 -0.48 -0.13 -1.54 -1.52 0.00 0.00 175.55 171.93 1soq s SER 117 N -2.17 1.57 -0.03 -0.18 1.04 -0.93 -5.00 113.70 108.00 1soq s SER 117 Ca -0.04 -0.59 0.00 0.00 0.48 0.00 0.00 55.95 55.81 1soq s SER 117 Cb -0.00 -0.05 0.03 0.00 0.10 0.00 0.00 66.02 66.10 1soq s SER 117 CO -0.05 -0.08 0.00 0.28 0.98 0.00 0.00 173.24 174.38 1soq s THR 118 N -1.23 0.16 -0.04 2.02 -1.32 -1.26 -1.85 115.64 112.12 1soq s THR 118 Ca -0.03 0.10 0.05 0.00 -1.21 0.00 0.00 61.69 60.61 1soq s THR 118 Cb -0.10 -0.26 -0.01 0.00 -1.51 0.00 0.00 72.50 70.62 1soq s THR 118 CO 0.02 0.14 -0.19 -0.89 -2.21 0.00 0.00 174.62 171.50 1soq s THR 119 N 1.07 1.53 -0.10 5.08 2.01 -0.51 -4.97 115.64 119.75 1soq s THR 119 Ca -0.09 -0.78 -0.02 0.00 0.31 0.00 0.00 61.69 61.11 1soq s THR 119 Cb -0.13 -1.30 -0.03 0.00 0.01 0.00 0.00 72.50 71.04 1soq s THR 119 CO -0.02 0.44 -0.03 0.00 -0.69 0.00 0.00 174.62 174.31 1soq s ALA 120 N -0.08 3.10 -0.18 7.40 0.00 -1.26 -0.31 121.76 130.44 1soq s ALA 120 Ca -0.02 -0.84 -0.02 0.00 0.00 0.00 0.00 51.96 51.09 1soq s ALA 120 Cb -0.11 -1.43 -0.01 0.00 0.00 0.00 0.00 23.12 21.57 1soq s ALA 120 CO 0.02 0.47 -0.09 0.08 0.00 0.00 0.00 175.76 176.23 1soq s VAL 121 N -0.47 3.17 -0.19 0.00 1.01 -0.14 -4.97 120.40 118.81 1soq s VAL 121 Ca 0.08 -0.59 0.01 0.00 0.00 0.00 0.00 61.98 61.48 1soq s VAL 121 Cb -0.12 -2.39 0.03 0.00 0.00 0.00 0.00 36.38 33.90 1soq s VAL 121 CO 0.02 0.48 -0.17 -0.69 0.00 0.00 0.00 175.10 174.74 1soq s VAL 122 N 0.92 2.00 0.28 2.92 1.01 -1.26 -0.77 120.40 125.51 1soq s VAL 122 Ca -0.02 -1.02 0.01 0.00 0.00 0.00 0.00 61.98 60.95 1soq s VAL 122 Cb -0.15 -1.87 -0.00 0.00 0.00 0.00 0.00 36.38 34.35 1soq s VAL 122 CO -0.00 0.42 0.03 0.35 0.00 0.00 0.00 175.10 175.91 1soq n THR 123 N 4.61 0.00 -0.55 3.92 -2.24 -0.42 -4.94 114.28 114.67 1soq n THR 123 Ca -0.19 -1.43 0.00 0.00 -2.27 0.00 0.00 64.05 60.15 1soq n THR 123 Cb 0.49 0.37 0.00 0.00 -2.10 0.00 0.00 70.33 69.09 1soq n THR 123 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30