#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 -4.80 0.00 0.13 -1.89 -3.43 132.00 122.02 1soq h PRO 11 Ca 0.00 0.00 -0.65 0.00 -0.87 0.00 0.00 66.00 64.48 1soq h PRO 11 Cb 0.00 0.00 -0.37 0.00 0.13 0.00 0.00 31.00 30.76 1soq h PRO 11 CO 0.00 0.00 -0.81 -1.17 -0.23 0.00 0.00 178.00 175.79 1soq s LEU 12 N -5.39 2.91 0.17 1.56 2.96 -1.26 0.11 118.68 119.73 1soq s LEU 12 Ca 0.09 -1.15 0.09 0.00 -0.22 0.00 0.00 54.13 52.94 1soq s LEU 12 Cb 0.09 -1.44 -0.04 0.00 0.50 0.00 0.00 46.19 45.29 1soq s LEU 12 CO 0.64 -0.15 -0.19 -0.04 -1.32 0.00 0.00 176.35 175.28 1soq s MET 13 N 1.22 1.31 -0.00 1.98 -1.94 0.18 -4.77 119.30 117.27 1soq s MET 13 Ca -0.05 -1.41 0.00 0.00 -1.71 0.00 0.00 55.69 52.52 1soq s MET 13 Cb -0.18 -1.43 0.00 0.00 2.01 0.00 0.00 34.83 35.24 1soq s MET 13 CO -0.07 0.30 -0.00 0.08 -0.01 0.00 0.00 175.02 175.31 1soq s VAL 14 N -1.91 0.04 -0.19 -6.03 1.01 -1.26 0.58 120.40 112.65 1soq s VAL 14 Ca 0.16 0.00 -0.02 0.00 0.00 0.00 0.00 61.98 62.12 1soq s VAL 14 Cb -0.06 -0.06 0.06 0.00 0.00 0.00 0.00 36.38 36.31 1soq s VAL 14 CO 0.07 0.03 0.02 -0.75 0.00 0.00 0.00 175.10 174.46 1soq s LYS 15 N 0.13 0.82 -0.16 2.72 2.47 0.88 -3.39 119.74 123.20 1soq s LYS 15 Ca -0.01 -0.44 -0.01 0.00 -1.56 0.00 0.00 55.97 53.95 1soq s LYS 15 Cb -0.02 -2.06 -0.01 0.00 -1.46 0.00 0.00 37.83 34.29 1soq s LYS 15 CO -0.00 -0.59 -0.12 0.08 0.16 0.00 0.00 175.35 174.87 1soq s VAL 16 N 1.80 2.94 0.06 4.02 1.01 -0.07 -1.27 120.40 128.89 1soq s VAL 16 Ca -0.01 -0.68 0.08 0.00 0.00 0.00 0.00 61.98 61.37 1soq s VAL 16 Cb -0.17 -2.26 -0.03 0.00 0.00 0.00 0.00 36.38 33.92 1soq s VAL 16 CO -0.07 0.50 -0.18 -0.76 0.00 0.00 0.00 175.10 174.59 1soq s LEU 17 N 0.82 2.65 -0.37 3.92 1.43 -0.03 -0.04 118.68 127.07 1soq s LEU 17 Ca -0.04 -0.46 -0.12 0.00 -1.03 0.00 0.00 54.13 52.48 1soq s LEU 17 Cb -0.15 -1.54 0.01 0.00 0.03 0.00 0.00 46.19 44.55 1soq s LEU 17 CO 0.00 0.23 0.22 -0.62 0.23 0.00 0.00 176.35 176.42 1soq s ASP 18 N -1.65 5.83 0.00 2.29 -1.08 0.12 -0.61 116.67 121.57 1soq s ASP 18 Ca 0.16 -0.80 0.29 0.00 -0.52 0.00 0.00 52.55 51.68 1soq s ASP 18 Cb -0.11 -2.07 1.30 0.00 -1.46 0.00 0.00 42.92 40.59 1soq s ASP 18 CO 0.07 -0.34 1.96 0.00 0.52 0.00 0.00 175.17 177.37 1soq n ALA 19 N 5.05 2.36 0.04 3.66 0.00 0.39 -1.70 120.51 130.31 1soq n ALA 19 Ca -0.12 -0.11 -0.15 0.00 0.00 0.00 0.00 53.44 53.06 1soq n ALA 19 Cb 0.47 -1.47 -0.14 0.00 0.00 0.00 0.00 19.45 18.31 1soq n ALA 19 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1soq h VAL 20 N 0.00 1.08 -0.00 0.00 2.07 -1.94 -3.39 116.25 114.06 1soq h VAL 20 Ca 0.00 -2.77 0.00 0.00 0.82 0.00 0.00 66.70 64.75 1soq h VAL 20 Cb 0.45 2.67 0.00 0.00 -1.52 0.00 0.00 31.29 32.90 1soq h VAL 20 CO 0.00 0.78 -0.23 -2.11 0.02 0.00 0.00 177.57 176.03 1soq n ARG 21 N -3.37 3.52 -2.86 1.57 1.85 -1.23 -5.04 116.66 111.10 1soq n ARG 21 Ca -0.17 -0.26 -0.10 0.00 -1.00 0.00 0.00 57.85 56.32 1soq n ARG 21 Cb 1.04 -0.90 0.05 0.00 -1.05 0.00 0.00 32.46 31.59 1soq n ARG 21 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1soq n GLY 22 N 0.96 0.07 3.40 2.89 0.00 -0.69 -5.06 105.19 106.75 1soq n GLY 22 Ca 0.02 -0.18 -0.11 0.00 0.00 0.00 0.00 46.02 45.76 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 -3.53 0.05 0.54 1.61 1.04 -1.19 -5.02 113.70 107.20 1soq s SER 23 Ca 0.10 -1.17 -0.22 0.00 0.48 0.00 0.00 55.95 55.15 1soq s SER 23 Cb -0.05 0.49 -0.05 0.00 0.10 0.00 0.00 66.02 66.51 1soq s SER 23 CO 0.38 -1.00 1.37 -2.84 0.98 0.00 0.00 173.24 172.14 1soq s PRO 24 N -4.06 3.17 -0.29 4.02 0.02 -1.26 -0.70 135.00 135.90 1soq s PRO 24 Ca 0.31 2.27 -0.28 0.00 0.02 0.00 0.00 61.00 63.32 1soq s PRO 24 Cb 0.03 -2.29 0.01 0.00 0.02 0.00 0.00 34.50 32.27 1soq s PRO 24 CO 0.11 -1.18 1.00 0.00 -0.33 0.00 0.00 177.00 176.60 1soq s ALA 25 N -1.29 3.56 -0.05 -1.55 0.00 0.94 -4.56 121.76 118.81 1soq s ALA 25 Ca 0.71 -0.07 -0.03 0.00 0.00 0.00 0.00 51.96 52.57 1soq s ALA 25 Cb -0.41 -3.55 -0.04 0.00 0.00 0.00 0.00 23.12 19.12 1soq s ALA 25 CO 0.49 -1.28 0.12 0.42 0.00 0.00 0.00 175.76 175.51 1soq s ILE 26 N 3.35 5.14 -1.46 0.00 1.01 -1.26 -4.10 121.20 123.89 1soq s ILE 26 Ca 0.42 -0.11 -0.02 0.00 0.00 0.00 0.00 60.65 60.94 1soq s ILE 26 Cb -0.13 -3.31 0.00 0.00 0.01 0.00 0.00 42.46 39.03 1soq s ILE 26 CO 0.12 0.46 0.22 0.59 0.00 0.00 0.00 174.94 176.33 1soq n ASN 27 N 1.49 -5.35 -4.69 3.58 5.03 -0.47 -4.94 115.26 109.91 1soq n ASN 27 Ca -0.15 -0.11 -0.41 0.00 0.87 0.00 0.00 54.58 54.78 1soq n ASN 27 Cb 0.54 -4.32 -0.04 0.00 -1.02 0.00 0.00 39.78 34.93 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 -2.98 4.94 0.08 2.41 1.01 -1.26 -4.73 120.40 119.87 1soq s VAL 28 Ca 0.11 1.64 -0.31 0.00 0.00 0.00 0.00 61.98 63.42 1soq s VAL 28 Cb -0.05 -4.13 -0.06 0.00 0.00 0.00 0.00 36.38 32.14 1soq s VAL 28 CO 0.13 0.13 1.23 0.00 0.00 0.00 0.00 175.10 176.59 1soq s ALA 29 N 1.46 3.43 -0.17 5.51 0.00 -1.26 -2.00 121.76 128.72 1soq s ALA 29 Ca 0.40 0.90 0.01 0.00 0.00 0.00 0.00 51.96 53.27 1soq s ALA 29 Cb -0.18 -3.46 0.03 0.00 0.00 0.00 0.00 23.12 19.52 1soq s ALA 29 CO 0.17 -0.46 -0.14 0.08 0.00 0.00 0.00 175.76 175.42 1soq s VAL 30 N 0.98 1.69 -0.20 0.00 1.01 -0.37 -0.62 120.40 122.89 1soq s VAL 30 Ca 0.59 -0.82 -0.04 0.00 0.00 0.00 0.00 61.98 61.71 1soq s VAL 30 Cb -0.31 -1.63 -0.02 0.00 0.00 0.00 0.00 36.38 34.42 1soq s VAL 30 CO 0.30 0.38 -0.03 -1.00 0.00 0.00 0.00 175.10 174.75 1soq s HIS 31 N 1.42 2.98 -0.11 5.22 3.76 0.01 -1.87 115.29 126.69 1soq s HIS 31 Ca 0.03 -0.65 -0.03 0.00 -0.15 0.00 0.00 55.06 54.26 1soq s HIS 31 Cb -0.14 -2.06 -0.03 0.00 1.11 0.00 0.00 32.58 31.46 1soq s HIS 31 CO -0.10 -0.35 -0.01 0.08 -0.85 0.00 0.00 174.74 173.51 1soq s VAL 32 N 1.09 4.15 0.21 -0.90 1.01 0.21 -0.20 120.40 125.97 1soq s VAL 32 Ca 0.02 -0.29 0.08 0.00 0.00 0.00 0.00 61.98 61.79 1soq s VAL 32 Cb -0.15 -2.78 -0.05 0.00 0.00 0.00 0.00 36.38 33.41 1soq s VAL 32 CO 0.00 0.56 -0.15 -0.36 0.00 0.00 0.00 175.10 175.15 1soq s PHE 33 N -0.37 1.78 -0.03 5.22 0.40 0.17 -0.32 117.98 124.83 1soq s PHE 33 Ca 0.07 -0.53 0.06 0.00 -0.60 0.00 0.00 56.93 55.92 1soq s PHE 33 Cb -0.12 -0.83 -0.01 0.00 0.51 0.00 0.00 43.02 42.57 1soq s PHE 33 CO 0.02 0.40 -0.20 0.50 0.70 0.00 0.00 175.22 176.63 1soq s ARG 34 N -3.53 1.86 -0.06 0.44 3.52 -0.25 -1.06 118.95 119.87 1soq s ARG 34 Ca 0.22 -0.73 -0.30 0.00 -0.13 0.00 0.00 55.73 54.80 1soq s ARG 34 Cb -0.02 -1.69 -0.04 0.00 -1.56 0.00 0.00 34.95 31.64 1soq s ARG 34 CO 0.08 0.37 1.40 0.21 -0.81 0.00 0.00 175.30 176.55 1soq s LYS 35 N -0.26 4.25 0.61 5.12 2.20 -0.20 -1.65 119.74 129.80 1soq s LYS 35 Ca 0.02 1.91 -0.00 0.00 -0.36 0.00 0.00 55.97 57.54 1soq s LYS 35 Cb -0.10 -3.71 0.06 0.00 -1.51 0.00 0.00 37.83 32.57 1soq s LYS 35 CO 0.01 -0.66 0.86 0.00 -0.36 0.00 0.00 175.35 175.20 1soq s ALA 36 N 3.03 3.74 0.25 3.13 0.00 0.13 -4.71 121.76 127.33 1soq s ALA 36 Ca 0.63 -1.36 -0.05 0.00 0.00 0.00 0.00 51.96 51.18 1soq s ALA 36 Cb -0.29 -2.14 0.32 0.00 0.00 0.00 0.00 23.12 21.02 1soq s ALA 36 CO 0.24 -0.99 1.88 0.00 0.00 0.00 0.00 175.76 176.88 1soq h ALA 37 N -0.16 1.24 -1.25 0.00 0.00 -1.95 0.49 119.26 117.63 1soq h ALA 37 Ca -0.41 -0.03 0.36 0.00 0.00 0.00 0.00 54.91 54.83 1soq h ALA 37 Cb 1.29 -0.29 -0.05 0.00 0.00 0.00 0.00 17.79 18.74 1soq h ALA 37 CO 0.51 0.40 0.93 -0.44 0.00 0.00 0.00 179.25 180.64 1soq h ASP 38 N 1.10 0.00 0.00 0.00 3.32 -2.01 -3.43 116.42 115.40 1soq h ASP 38 Ca 0.38 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.43 1soq h ASP 38 Cb 0.09 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.64 1soq h ASP 38 CO -0.15 0.00 0.00 -0.67 -1.72 0.00 0.00 179.24 176.70 1soq n ASP 39 N -4.08 -1.73 -5.01 6.45 2.03 0.17 -5.07 116.55 109.31 1soq n ASP 39 Ca 0.27 0.00 -0.17 0.00 0.52 0.00 0.00 54.79 55.41 1soq n ASP 39 Cb 1.33 -0.29 0.01 0.00 -0.72 0.00 0.00 41.12 41.46 1soq n ASP 39 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 1soq s THR 40 N -2.00 2.95 -0.26 5.18 -4.23 -1.25 -4.78 115.64 111.25 1soq s THR 40 Ca 0.00 -0.98 -0.15 0.00 -1.18 0.00 0.00 61.69 59.38 1soq s THR 40 Cb 0.00 -2.96 -0.04 0.00 1.34 0.00 0.00 72.50 70.84 1soq s THR 40 CO 0.00 0.00 0.35 0.26 -0.54 0.00 0.00 174.62 174.69 1soq s TRP 41 N -2.38 3.26 -0.05 3.99 0.52 -1.26 0.19 118.94 123.20 1soq s TRP 41 Ca 0.55 0.40 0.01 0.00 0.02 0.00 0.00 56.10 57.09 1soq s TRP 41 Cb -0.10 -2.54 -0.03 0.00 -1.15 0.00 0.00 33.47 29.65 1soq s TRP 41 CO 0.34 -0.19 -0.07 -1.83 0.02 0.00 0.00 176.95 175.21 1soq s GLU 42 N 1.94 2.70 0.41 4.98 -1.05 -0.66 -4.92 118.70 122.11 1soq s GLU 42 Ca 0.14 -0.59 -0.26 0.00 -0.15 0.00 0.00 54.97 54.12 1soq s GLU 42 Cb -0.16 -2.57 -0.10 0.00 -0.44 0.00 0.00 34.13 30.86 1soq s GLU 42 CO 0.10 0.65 1.28 -2.30 0.95 0.00 0.00 175.26 175.94 1soq n PRO 43 N 2.06 1.98 0.00 -4.83 -0.02 -1.26 -1.09 135.00 131.84 1soq n PRO 43 Ca -0.17 0.70 0.00 0.00 -2.02 0.00 0.00 63.50 62.01 1soq n PRO 43 Cb 0.53 -2.39 0.00 0.00 -0.02 0.00 0.00 33.50 31.62 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 -0.13 0.00 -3.57 6.00 7.35 0.56 -4.73 117.46 122.94 1soq n PHE 44 Ca 0.06 0.00 -0.07 0.00 -0.76 0.00 0.00 57.45 56.69 1soq n PHE 44 Cb 0.39 0.00 -0.03 0.00 0.35 0.00 0.00 39.48 40.19 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 -1.45 -1.98 0.18 3.13 0.00 -0.77 -4.99 121.76 115.89 1soq s ALA 45 Ca 0.00 1.47 -0.17 0.00 0.00 0.00 0.00 51.96 53.26 1soq s ALA 45 Cb 0.00 -0.26 0.03 0.00 0.00 0.00 0.00 23.12 22.89 1soq s ALA 45 CO 0.00 -0.52 0.49 -1.54 0.00 0.00 0.00 175.76 174.19 1soq s SER 46 N -1.89 -0.24 0.00 0.00 1.04 -1.26 0.66 113.70 112.01 1soq s SER 46 Ca 0.06 -0.48 0.00 0.00 0.48 0.00 0.00 55.95 56.00 1soq s SER 46 Cb -0.01 0.55 0.00 0.00 0.10 0.00 0.00 66.02 66.66 1soq s SER 46 CO -0.05 -1.01 0.00 0.61 0.98 0.00 0.00 173.24 173.77 1soq n GLY 47 N -0.31 -1.48 3.19 7.32 0.00 -0.78 -4.89 105.19 108.24 1soq n GLY 47 Ca -0.11 -1.06 -0.25 0.00 0.00 0.00 0.00 46.02 44.60 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 -1.78 1.47 0.46 1.61 3.01 -1.26 -1.23 119.74 122.02 1soq s LYS 48 Ca 0.00 -0.70 -0.24 0.00 -1.01 0.00 0.00 55.97 54.02 1soq s LYS 48 Cb 0.00 -1.44 -0.07 0.00 -1.01 0.00 0.00 37.83 35.30 1soq s LYS 48 CO 0.00 0.39 1.27 0.95 0.51 0.00 0.00 175.35 178.47 1soq s THR 49 N -0.49 2.66 0.42 2.17 -4.23 -0.85 -4.74 115.64 110.57 1soq s THR 49 Ca 0.07 0.53 -0.07 0.00 -1.18 0.00 0.00 61.69 61.04 1soq s THR 49 Cb -0.07 -3.29 0.10 0.00 1.34 0.00 0.00 72.50 70.58 1soq s THR 49 CO -0.00 0.03 0.57 -1.54 -0.54 0.00 0.00 174.62 173.13 1soq n SER 50 N -0.39 0.06 0.32 3.99 3.41 0.22 -1.37 113.62 119.86 1soq n SER 50 Ca 0.07 -1.22 0.21 0.00 -0.26 0.00 0.00 58.87 57.67 1soq n SER 50 Cb 0.46 -0.43 1.07 0.00 -0.26 0.00 0.00 64.21 65.04 1soq n SER 50 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1soq h GLU 51 N 0.00 0.00 -0.64 4.33 3.07 -1.91 0.31 114.58 119.74 1soq h GLU 51 Ca -0.18 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.68 1soq h GLU 51 Cb 0.51 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.42 1soq h GLU 51 CO 0.13 0.00 0.00 -1.13 -1.40 0.00 0.00 179.01 176.61 1soq n SER 52 N -3.06 3.67 -0.87 1.42 3.41 -1.26 -4.67 113.62 112.27 1soq n SER 52 Ca -0.02 -2.14 -0.11 0.00 -0.26 0.00 0.00 58.87 56.34 1soq n SER 52 Cb 0.13 -0.46 -0.05 0.00 -0.26 0.00 0.00 64.21 63.57 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 1.34 1.25 3.75 5.00 0.00 0.10 -4.76 105.19 111.87 1soq n GLY 53 Ca 0.22 -0.47 -0.23 0.00 0.00 0.00 0.00 46.02 45.54 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 -2.93 2.50 -0.28 1.61 2.02 -1.26 -0.89 118.70 119.48 1soq s GLU 54 Ca 0.00 -1.41 0.01 0.00 0.02 0.00 0.00 54.97 53.59 1soq s GLU 54 Cb 0.00 -2.28 0.08 0.00 0.10 0.00 0.00 34.13 32.03 1soq s GLU 54 CO 0.00 0.19 -0.01 -1.17 0.02 0.00 0.00 175.26 174.29 1soq s LEU 55 N -3.84 3.13 -0.11 1.80 2.96 -1.22 0.69 118.68 122.09 1soq s LEU 55 Ca 0.37 -1.52 -0.05 0.00 -0.22 0.00 0.00 54.13 52.71 1soq s LEU 55 Cb -0.05 -1.27 -0.04 0.00 0.50 0.00 0.00 46.19 45.34 1soq s LEU 55 CO 0.23 -0.30 0.06 -1.38 -1.32 0.00 0.00 176.35 173.64 1soq s HIS 56 N 1.29 3.33 -0.59 5.38 -3.43 -1.26 -4.57 115.29 115.44 1soq s HIS 56 Ca 0.01 0.30 -0.02 0.00 -0.80 0.00 0.00 55.06 54.54 1soq s HIS 56 Cb -0.19 -1.89 0.00 0.00 -1.43 0.00 0.00 32.58 29.08 1soq s HIS 56 CO -0.10 0.52 0.51 0.41 -2.00 0.00 0.00 174.74 174.08 1soq n GLY 57 N 2.29 0.18 0.09 -1.38 0.00 -1.26 -4.97 105.19 100.14 1soq n GLY 57 Ca -0.19 -0.23 -0.16 0.00 0.00 0.00 0.00 46.02 45.44 1soq n GLY 57 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1soq h LEU 58 N -1.09 0.20 -8.22 0.99 5.85 -1.86 -3.49 115.31 107.68 1soq h LEU 58 Ca -0.27 -0.89 -0.08 0.00 0.84 0.00 0.00 57.88 57.48 1soq h LEU 58 Cb 1.16 -0.06 -0.07 0.00 0.37 0.00 0.00 40.66 42.07 1soq h LEU 58 CO 0.25 1.07 -0.01 0.28 -0.34 0.00 0.00 178.44 179.69 1soq s THR 59 N -2.65 0.00 0.32 1.05 -1.32 -1.26 -4.61 115.64 107.17 1soq s THR 59 Ca -0.16 -1.32 0.02 0.00 -1.21 0.00 0.00 61.69 59.02 1soq s THR 59 Cb -0.01 -2.40 0.02 0.00 -1.51 0.00 0.00 72.50 68.61 1soq s THR 59 CO 0.74 0.00 0.17 0.35 -2.21 0.00 0.00 174.62 173.67 1soq n THR 60 N -0.46 0.00 0.15 5.08 -2.24 -1.26 -4.69 114.28 110.86 1soq n THR 60 Ca -0.03 -1.36 -0.07 0.00 -2.27 0.00 0.00 64.05 60.32 1soq n THR 60 Cb 0.61 -0.06 -0.03 0.00 -2.10 0.00 0.00 70.33 68.75 1soq n THR 60 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1soq h GLU 61 N 0.00 -0.44 -0.34 -0.78 3.07 -2.02 -2.56 114.58 111.51 1soq h GLU 61 Ca -0.22 0.03 0.10 0.00 -0.50 0.00 0.00 59.36 58.76 1soq h GLU 61 Cb 0.77 0.10 -0.01 0.00 -0.84 0.00 0.00 28.75 28.77 1soq h GLU 61 CO 0.36 -0.29 0.37 1.05 -1.40 0.00 0.00 179.01 179.09 1soq h GLU 62 N -1.02 0.00 0.16 2.33 4.11 -2.03 0.27 114.58 118.40 1soq h GLU 62 Ca -0.05 0.00 -0.30 0.00 0.07 0.00 0.00 59.36 59.09 1soq h GLU 62 Cb 0.35 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.62 1soq h GLU 62 CO 0.08 0.00 -1.30 0.93 0.07 0.00 0.00 179.01 178.79 1soq h GLU 63 N 0.00 0.44 -4.89 1.06 4.39 -1.98 -3.39 114.58 110.21 1soq h GLU 63 Ca 0.16 -0.69 -0.71 0.00 0.34 0.00 0.00 59.36 58.46 1soq h GLU 63 Cb 0.89 0.25 -0.09 0.00 -0.10 0.00 0.00 28.75 29.70 1soq h GLU 63 CO -0.00 1.32 2.32 0.34 -1.16 0.00 0.00 179.01 181.82 1soq n PHE 64 N -3.66 4.21 -2.94 4.33 7.35 0.96 -4.95 117.46 122.76 1soq n PHE 64 Ca -0.12 -2.96 -0.20 0.00 -0.76 0.00 0.00 57.45 53.41 1soq n PHE 64 Cb 1.03 -2.47 0.05 0.00 0.35 0.00 0.00 39.48 38.45 1soq n PHE 64 CO 0.00 0.00 0.00 0.54 -0.76 0.00 0.00 176.76 176.54 1soq s VAL 65 N 3.07 2.38 0.32 -2.13 0.11 -1.26 -4.93 120.40 117.97 1soq s VAL 65 Ca 0.49 -0.92 -0.29 0.00 -2.93 0.00 0.00 61.98 58.32 1soq s VAL 65 Cb 0.06 -2.46 -0.12 0.00 -1.53 0.00 0.00 36.38 32.34 1soq s VAL 65 CO 0.01 0.00 1.48 1.21 -3.33 0.00 0.00 175.10 174.47 1soq n GLU 66 N -2.24 2.49 0.00 1.54 2.13 -1.26 -4.83 120.64 118.47 1soq n GLU 66 Ca 0.13 0.88 0.00 0.00 0.66 0.00 0.00 57.16 58.83 1soq n GLU 66 Cb 0.61 -2.59 0.00 0.00 0.27 0.00 0.00 31.44 29.73 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 1.33 -0.55 3.46 8.31 0.00 -1.17 -5.02 105.19 111.54 1soq n GLY 67 Ca 0.06 -1.14 -0.39 0.00 0.00 0.00 0.00 46.02 44.54 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 4.83 0.09 -0.61 1.01 -1.26 -1.36 121.20 121.89 1soq s ILE 68 Ca 0.00 -0.42 0.02 0.00 0.00 0.00 0.00 60.65 60.25 1soq s ILE 68 Cb 0.00 -3.50 -0.04 0.00 0.01 0.00 0.00 42.46 38.93 1soq s ILE 68 CO 0.00 -0.00 0.15 -0.31 0.00 0.00 0.00 174.94 174.77 1soq s TYR 69 N 1.64 3.32 -0.11 3.97 1.51 0.07 -1.04 117.35 126.72 1soq s TYR 69 Ca 0.05 0.13 0.03 0.00 -1.01 0.00 0.00 57.07 56.26 1soq s TYR 69 Cb -0.17 -1.66 0.01 0.00 -0.11 0.00 0.00 41.96 40.03 1soq s TYR 69 CO 0.08 0.54 -0.19 0.21 -1.11 0.00 0.00 175.55 175.08 1soq s LYS 70 N -2.59 2.65 -0.33 -0.62 2.20 -0.23 -1.56 119.74 119.27 1soq s LYS 70 Ca 0.32 -0.73 -0.07 0.00 -0.36 0.00 0.00 55.97 55.13 1soq s LYS 70 Cb -0.12 -2.14 0.03 0.00 -1.51 0.00 0.00 37.83 34.09 1soq s LYS 70 CO 0.25 0.02 0.12 0.08 -0.36 0.00 0.00 175.35 175.45 1soq s VAL 71 N 0.75 3.99 -0.28 4.02 1.01 0.28 -0.66 120.40 129.52 1soq s VAL 71 Ca -0.10 -0.94 -0.09 0.00 0.00 0.00 0.00 61.98 60.86 1soq s VAL 71 Cb -0.16 -3.19 -0.02 0.00 0.00 0.00 0.00 36.38 33.01 1soq s VAL 71 CO 0.01 -0.10 0.11 -0.70 0.00 0.00 0.00 175.10 174.42 1soq s GLU 72 N 1.46 3.54 -0.29 2.72 2.12 0.71 -0.65 118.70 128.31 1soq s GLU 72 Ca 0.00 -0.57 -0.13 0.00 0.36 0.00 0.00 54.97 54.64 1soq s GLU 72 Cb -0.19 -3.45 -0.04 0.00 0.26 0.00 0.00 34.13 30.71 1soq s GLU 72 CO 0.03 -0.28 0.28 0.42 -0.54 0.00 0.00 175.26 175.17 1soq s ILE 73 N 1.63 5.24 -1.28 -3.70 1.01 0.30 -0.81 121.20 123.59 1soq s ILE 73 Ca 0.06 0.23 -0.18 0.00 0.00 0.00 0.00 60.65 60.76 1soq s ILE 73 Cb -0.16 -3.65 0.02 0.00 0.01 0.00 0.00 42.46 38.68 1soq s ILE 73 CO 0.05 0.14 1.88 -0.67 0.00 0.00 0.00 174.94 176.34 1soq n ASP 74 N 5.20 4.26 -0.01 3.58 2.03 0.21 -1.47 116.55 130.36 1soq n ASP 74 Ca -0.11 -2.85 -0.07 0.00 0.52 0.00 0.00 54.79 52.27 1soq n ASP 74 Cb 0.51 -1.69 0.11 0.00 -0.72 0.00 0.00 41.12 39.33 1soq n ASP 74 CO 0.00 0.00 0.00 0.71 -1.92 0.00 0.00 177.20 175.99 1soq h THR 75 N 5.28 1.30 -0.00 5.18 1.35 -1.86 -3.16 112.91 121.00 1soq h THR 75 Ca 0.43 -1.56 0.03 0.00 -0.55 0.00 0.00 66.41 64.76 1soq h THR 75 Cb 0.82 1.55 -0.03 0.00 -1.73 0.00 0.00 68.15 68.76 1soq h THR 75 CO 1.54 0.49 -0.17 0.50 -0.25 0.00 0.00 175.52 177.63 1soq h LYS 76 N 0.46 -0.27 -0.90 4.72 3.64 -1.74 -1.41 116.57 121.07 1soq h LYS 76 Ca 0.04 0.02 0.02 0.00 -1.27 0.00 0.00 60.65 59.46 1soq h LYS 76 Cb 0.89 0.06 -0.05 0.00 -0.41 0.00 0.00 32.23 32.73 1soq h LYS 76 CO 0.08 -0.18 0.59 0.77 -2.27 0.00 0.00 179.45 178.44 1soq h SER 77 N -0.28 1.01 -0.08 4.20 0.02 -1.87 -0.38 113.55 116.17 1soq h SER 77 Ca 0.06 -0.02 0.03 0.00 -0.84 0.00 0.00 61.79 61.02 1soq h SER 77 Cb 0.35 -0.24 -0.04 0.00 0.14 0.00 0.00 62.40 62.62 1soq h SER 77 CO -0.17 0.71 -0.13 0.22 -1.14 0.00 0.00 176.83 176.33 1soq h TYR 78 N 1.18 -0.33 -0.26 3.45 3.20 -1.39 -0.99 116.97 121.84 1soq h TYR 78 Ca 0.34 0.02 -0.08 0.00 3.14 0.00 0.00 58.73 62.15 1soq h TYR 78 Cb -0.09 0.16 -0.01 0.00 1.54 0.00 0.00 36.73 38.34 1soq h TYR 78 CO -0.01 -0.19 -0.15 -1.49 -1.64 0.00 0.00 178.16 174.68 1soq h TRP 79 N -0.18 0.65 -0.58 -3.82 -0.00 -1.02 -3.08 115.95 107.92 1soq h TRP 79 Ca 0.07 -0.17 0.09 0.00 -0.00 0.00 0.00 58.89 58.88 1soq h TRP 79 Cb 0.28 -0.15 -0.07 0.00 -0.00 0.00 0.00 29.16 29.22 1soq h TRP 79 CO -0.22 0.83 0.20 0.87 -0.00 0.00 0.00 178.44 180.12 1soq h LYS 80 N 0.28 0.37 -0.08 0.49 1.79 -0.88 0.11 116.57 118.66 1soq h LYS 80 Ca 0.05 -0.02 0.02 0.00 -2.18 0.00 0.00 60.65 58.52 1soq h LYS 80 Cb 0.67 -0.08 -0.00 0.00 -1.58 0.00 0.00 32.23 31.23 1soq h LYS 80 CO 0.04 0.24 0.06 0.00 -1.08 0.00 0.00 179.45 178.72 1soq h ALA 81 N 1.41 1.90 -0.42 3.86 0.00 -1.10 0.26 119.26 125.17 1soq h ALA 81 Ca 0.29 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.20 1soq h ALA 81 Cb 0.36 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1soq h ALA 81 CO -0.31 -0.10 0.00 1.28 0.00 0.00 0.00 179.25 180.12 1soq n LEU 82 N -4.25 2.37 0.00 0.00 4.77 -0.10 -4.90 117.00 114.88 1soq n LEU 82 Ca -0.01 -1.16 0.00 0.00 -0.03 0.00 0.00 56.01 54.81 1soq n LEU 82 Cb 0.17 -0.28 0.00 0.00 -2.33 0.00 0.00 43.42 40.98 1soq n LEU 82 CO 0.32 0.58 0.00 0.61 -1.33 0.00 0.00 177.39 177.57 1soq n GLY 83 N 1.21 0.42 3.38 -0.72 0.00 0.08 -5.04 105.19 104.52 1soq n GLY 83 Ca 0.15 -0.98 -0.31 0.00 0.00 0.00 0.00 46.02 44.88 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 -2.00 2.39 -0.58 -0.61 1.01 -0.44 -4.99 121.20 115.97 1soq s ILE 84 Ca 0.00 -1.13 -0.12 0.00 0.00 0.00 0.00 60.65 59.41 1soq s ILE 84 Cb 0.00 -1.91 0.15 0.00 0.01 0.00 0.00 42.46 40.71 1soq s ILE 84 CO 0.00 0.48 0.49 -0.55 0.00 0.00 0.00 174.94 175.37 1soq s SER 85 N -0.95 6.04 0.88 3.58 0.15 -1.26 -2.75 113.70 119.39 1soq s SER 85 Ca 0.12 -2.14 -0.08 0.00 0.70 0.00 0.00 55.95 54.55 1soq s SER 85 Cb -0.10 -2.10 0.15 0.00 -1.71 0.00 0.00 66.02 62.25 1soq s SER 85 CO 0.01 -0.69 0.90 -0.81 1.20 0.00 0.00 173.24 173.85 1soq n PRO 86 N 4.68 -0.60 -0.04 5.44 -0.04 -1.26 -5.03 135.00 138.14 1soq n PRO 86 Ca -0.04 -1.68 -0.21 0.00 -0.04 0.00 0.00 63.50 61.53 1soq n PRO 86 Cb 0.42 -0.83 -0.13 0.00 -0.04 0.00 0.00 33.50 32.92 1soq n PRO 86 CO 0.00 0.00 0.00 0.35 -0.04 0.00 0.00 175.50 175.81 1soq h PHE 87 N -1.21 0.23 -3.58 0.54 3.57 -1.63 -3.48 116.94 111.38 1soq h PHE 87 Ca -0.29 -0.17 -0.52 0.00 3.53 0.00 0.00 57.97 60.52 1soq h PHE 87 Cb 0.88 -0.01 -0.03 0.00 2.79 0.00 0.00 35.95 39.58 1soq h PHE 87 CO 0.00 1.49 0.05 -1.01 -2.23 0.00 0.00 178.31 176.61 1soq s HIS 88 N -2.41 3.52 0.24 0.41 3.76 -1.26 -4.97 115.29 114.57 1soq s HIS 88 Ca -0.23 1.22 0.05 0.00 -0.15 0.00 0.00 55.06 55.95 1soq s HIS 88 Cb 0.04 -2.51 0.25 0.00 1.11 0.00 0.00 32.58 31.47 1soq s HIS 88 CO 0.69 0.25 1.56 0.93 -0.85 0.00 0.00 174.74 177.33 1soq h GLU 89 N 2.92 0.22 -2.11 1.40 4.39 -1.98 -3.37 114.58 116.05 1soq h GLU 89 Ca -0.48 -0.16 0.29 0.00 0.34 0.00 0.00 59.36 59.35 1soq h GLU 89 Cb 1.18 0.02 -0.07 0.00 -0.10 0.00 0.00 28.75 29.79 1soq h GLU 89 CO 0.66 0.76 0.79 -3.38 -1.16 0.00 0.00 179.01 176.68 1soq s HIS 90 N -3.74 0.02 -0.18 4.33 -3.43 -1.26 -3.83 115.29 107.20 1soq s HIS 90 Ca -0.04 -0.21 0.00 0.00 -0.80 0.00 0.00 55.06 54.01 1soq s HIS 90 Cb 0.12 0.60 0.01 0.00 -1.43 0.00 0.00 32.58 31.87 1soq s HIS 90 CO 0.80 -0.46 -0.16 0.00 -2.00 0.00 0.00 174.74 172.92 1soq s ALA 91 N -2.18 2.45 -0.08 -1.38 0.00 -0.54 -4.89 121.76 115.13 1soq s ALA 91 Ca 0.24 -1.15 0.01 0.00 0.00 0.00 0.00 51.96 51.06 1soq s ALA 91 Cb -0.00 -1.27 -0.03 0.00 0.00 0.00 0.00 23.12 21.83 1soq s ALA 91 CO 0.00 -0.25 -0.09 -1.21 0.00 0.00 0.00 175.76 174.21 1soq s GLU 92 N 1.15 2.85 -0.29 0.00 8.01 -1.26 -0.54 118.70 128.63 1soq s GLU 92 Ca 0.01 -0.60 0.03 0.00 0.01 0.00 0.00 54.97 54.41 1soq s GLU 92 Cb -0.14 -2.57 0.08 0.00 -4.31 0.00 0.00 34.13 27.19 1soq s GLU 92 CO -0.07 0.55 -0.02 0.08 0.01 0.00 0.00 175.26 175.82 1soq s VAL 93 N -0.52 1.95 -0.18 2.63 1.01 0.17 -4.96 120.40 120.50 1soq s VAL 93 Ca 0.07 -1.78 -0.04 0.00 0.00 0.00 0.00 61.98 60.23 1soq s VAL 93 Cb -0.12 -2.27 -0.02 0.00 0.00 0.00 0.00 36.38 33.97 1soq s VAL 93 CO 0.02 -0.31 -0.03 -0.69 0.00 0.00 0.00 175.10 174.09 1soq s VAL 94 N 1.14 3.84 0.05 2.92 1.01 -1.26 -0.56 120.40 127.54 1soq s VAL 94 Ca 0.01 -0.36 -0.21 0.00 0.00 0.00 0.00 61.98 61.41 1soq s VAL 94 Cb -0.19 -2.71 0.05 0.00 0.00 0.00 0.00 36.38 33.53 1soq s VAL 94 CO -0.08 0.46 0.49 0.72 0.00 0.00 0.00 175.10 176.69 1soq s PHE 95 N 0.73 -0.38 0.01 5.22 -0.71 -0.60 -5.01 117.98 117.24 1soq s PHE 95 Ca -0.01 0.39 -0.28 0.00 -1.04 0.00 0.00 56.93 55.99 1soq s PHE 95 Cb -0.14 0.31 -0.04 0.00 -1.21 0.00 0.00 43.02 41.94 1soq s PHE 95 CO 0.02 -0.63 0.89 0.99 -1.34 0.00 0.00 175.22 175.16 1soq s THR 96 N -2.51 4.83 0.07 -4.49 2.01 -1.26 -0.75 115.64 113.54 1soq s THR 96 Ca -0.05 1.88 0.10 0.00 0.31 0.00 0.00 61.69 63.93 1soq s THR 96 Cb -0.01 -4.24 -0.03 0.00 0.01 0.00 0.00 72.50 68.23 1soq s THR 96 CO -0.02 0.23 -0.26 0.00 -0.69 0.00 0.00 174.62 173.88 1soq s ALA 97 N 0.66 2.33 -0.20 7.40 0.00 -0.46 -4.73 121.76 126.75 1soq s ALA 97 Ca 0.47 -1.32 0.00 0.00 0.00 0.00 0.00 51.96 51.10 1soq s ALA 97 Cb -0.21 -0.48 0.00 0.00 0.00 0.00 0.00 23.12 22.44 1soq s ALA 97 CO 0.26 0.54 0.00 0.09 0.00 0.00 0.00 175.76 176.65 1soq n ASN 98 N 1.50 -5.37 0.15 0.00 3.02 -1.26 -3.06 115.26 110.24 1soq n ASN 98 Ca -0.17 0.05 0.12 0.00 -0.03 0.00 0.00 54.58 54.54 1soq n ASN 98 Cb 0.52 -3.03 0.56 0.00 -0.61 0.00 0.00 39.78 37.22 1soq n ASN 98 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 1soq n ASP 99 N -0.79 0.63 -0.65 6.41 5.75 -1.26 -1.24 116.55 125.40 1soq n ASP 99 Ca -0.02 0.73 0.07 0.00 -0.01 0.00 0.00 54.79 55.55 1soq n ASP 99 Cb 0.42 -0.83 0.18 0.00 -1.03 0.00 0.00 41.12 39.86 1soq n ASP 99 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 1soq n SER 100 N -2.27 3.19 0.00 -1.12 7.64 -1.26 -5.07 113.62 114.72 1soq n SER 100 Ca 0.00 -2.47 0.00 0.00 1.01 0.00 0.00 58.87 57.41 1soq n SER 100 Cb 0.12 -0.35 0.00 0.00 -1.01 0.00 0.00 64.21 62.98 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 -0.10 1.95 3.77 0.23 0.00 -0.37 -5.02 105.19 105.65 1soq n GLY 101 Ca 0.15 -2.13 -0.40 0.00 0.00 0.00 0.00 46.02 43.64 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 -1.85 3.98 0.06 1.61 0.02 -1.26 -4.21 135.00 133.35 1soq s PRO 102 Ca 0.00 2.43 -0.04 0.00 0.02 0.00 0.00 61.00 63.41 1soq s PRO 102 Cb 0.00 -2.85 -0.02 0.00 0.02 0.00 0.00 34.50 31.64 1soq s PRO 102 CO 0.00 -0.58 0.05 1.03 -0.33 0.00 0.00 177.00 177.17 1soq s ARG 103 N -2.19 0.65 -0.12 5.54 1.81 -1.26 -4.76 118.95 118.62 1soq s ARG 103 Ca 0.55 -1.04 -0.12 0.00 -1.72 0.00 0.00 55.73 53.40 1soq s ARG 103 Cb -0.44 0.24 -0.05 0.00 -0.45 0.00 0.00 34.95 34.26 1soq s ARG 103 CO 0.58 -0.15 0.28 1.03 -0.68 0.00 0.00 175.30 176.35 1soq s ARG 104 N -3.55 3.99 -0.05 3.54 0.52 -0.34 -4.85 118.95 118.21 1soq s ARG 104 Ca 0.03 0.10 0.06 0.00 -0.52 0.00 0.00 55.73 55.40 1soq s ARG 104 Cb 0.05 -3.33 -0.01 0.00 0.52 0.00 0.00 34.95 32.18 1soq s ARG 104 CO -0.09 0.47 -0.23 0.71 0.02 0.00 0.00 175.30 176.18 1soq s TYR 105 N -0.23 2.19 -0.20 -0.53 1.51 0.30 -1.96 117.35 118.44 1soq s TYR 105 Ca 0.17 -0.61 0.01 0.00 -1.01 0.00 0.00 57.07 55.63 1soq s TYR 105 Cb -0.13 -1.44 0.04 0.00 -0.11 0.00 0.00 41.96 40.32 1soq s TYR 105 CO 0.06 -0.18 -0.11 0.99 -1.11 0.00 0.00 175.55 175.20 1soq s THR 106 N -0.16 1.65 -0.38 -0.71 2.01 -0.41 0.52 115.64 118.16 1soq s THR 106 Ca -0.02 -0.99 -0.17 0.00 0.31 0.00 0.00 61.69 60.82 1soq s THR 106 Cb -0.12 -1.71 0.01 0.00 0.01 0.00 0.00 72.50 70.68 1soq s THR 106 CO 0.03 0.19 0.42 -0.63 -0.69 0.00 0.00 174.62 173.93 1soq s ILE 107 N 1.40 5.11 -0.02 1.82 -1.09 0.20 -1.63 121.20 126.97 1soq s ILE 107 Ca -0.01 -0.12 -0.18 0.00 -2.23 0.00 0.00 60.65 58.11 1soq s ILE 107 Cb -0.16 -3.95 -0.05 0.00 -1.58 0.00 0.00 42.46 36.72 1soq s ILE 107 CO -0.08 -0.27 0.52 -0.31 -1.23 0.00 0.00 174.94 173.56 1soq s TYR 108 N 2.12 3.66 -0.04 3.97 1.51 0.27 -0.09 117.35 128.76 1soq s TYR 108 Ca 0.13 1.08 -0.00 0.00 -1.01 0.00 0.00 57.07 57.26 1soq s TYR 108 Cb -0.17 -2.51 0.03 0.00 -0.11 0.00 0.00 41.96 39.20 1soq s TYR 108 CO 0.13 0.40 -0.00 0.00 -1.11 0.00 0.00 175.55 174.97 1soq s ALA 109 N -0.29 0.46 -0.21 3.71 0.00 -0.40 -1.29 121.76 123.73 1soq s ALA 109 Ca 0.28 0.06 -0.05 0.00 0.00 0.00 0.00 51.96 52.25 1soq s ALA 109 Cb -0.17 -0.46 -0.02 0.00 0.00 0.00 0.00 23.12 22.47 1soq s ALA 109 CO 0.15 -0.19 -0.01 -1.21 0.00 0.00 0.00 175.76 174.50 1soq s GLU 110 N 1.32 3.50 -0.10 0.00 8.01 -0.27 -0.85 118.70 130.31 1soq s GLU 110 Ca -0.05 -0.57 -0.01 0.00 0.01 0.00 0.00 54.97 54.35 1soq s GLU 110 Cb -0.13 -3.06 -0.03 0.00 -4.31 0.00 0.00 34.13 26.59 1soq s GLU 110 CO -0.02 -0.10 -0.05 -0.51 0.01 0.00 0.00 175.26 174.58 1soq s LEU 111 N 1.28 3.23 0.09 1.80 1.43 0.22 -1.65 118.68 125.09 1soq s LEU 111 Ca 0.04 -0.04 0.03 0.00 -1.03 0.00 0.00 54.13 53.12 1soq s LEU 111 Cb -0.15 -1.73 -0.04 0.00 0.03 0.00 0.00 46.19 44.31 1soq s LEU 111 CO -0.00 0.30 -0.08 -0.44 0.23 0.00 0.00 176.35 176.36 1soq s SER 112 N -0.44 1.21 0.29 2.29 0.01 0.02 -0.47 113.70 116.62 1soq s SER 112 Ca 0.07 -0.87 0.03 0.00 1.31 0.00 0.00 55.95 56.49 1soq s SER 112 Cb -0.12 0.05 0.72 0.00 0.21 0.00 0.00 66.02 66.88 1soq s SER 112 CO 0.02 -0.36 1.69 -0.65 0.41 0.00 0.00 173.24 174.35 1soq h PRO 113 N 3.38 0.35 -0.18 12.44 0.11 -1.99 -2.79 132.00 143.32 1soq h PRO 113 Ca -0.36 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.72 1soq h PRO 113 Cb 1.18 -0.08 -0.00 0.00 0.11 0.00 0.00 31.00 32.21 1soq h PRO 113 CO 0.57 0.23 -0.01 0.66 -0.21 0.00 0.00 178.00 179.25 1soq n TYR 114 N -5.08 0.66 -3.56 0.65 4.02 -1.26 -1.53 117.16 111.06 1soq n TYR 114 Ca 0.22 -0.95 -0.16 0.00 -0.01 0.00 0.00 57.90 57.00 1soq n TYR 114 Cb 0.66 -0.27 -0.06 0.00 -0.02 0.00 0.00 39.34 39.64 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 -2.25 -0.66 -0.01 7.72 0.15 -1.05 -4.98 113.70 112.62 1soq s SER 115 Ca 0.39 0.91 -0.06 0.00 0.70 0.00 0.00 55.95 57.89 1soq s SER 115 Cb 0.33 0.80 0.00 0.00 -1.71 0.00 0.00 66.02 65.43 1soq s SER 115 CO 0.07 -0.47 0.11 -0.72 1.20 0.00 0.00 173.24 173.43 1soq s TYR 116 N -0.69 0.02 0.04 3.44 -0.85 -1.26 -0.80 117.35 117.24 1soq s TYR 116 Ca -0.07 -0.05 0.07 0.00 -0.52 0.00 0.00 57.07 56.50 1soq s TYR 116 Cb -0.02 -0.04 -0.02 0.00 0.38 0.00 0.00 41.96 42.26 1soq s TYR 116 CO 0.06 -0.21 -0.19 -1.54 -1.52 0.00 0.00 175.55 172.15 1soq s SER 117 N -0.98 2.28 -0.02 -0.18 1.04 -0.66 -4.97 113.70 110.21 1soq s SER 117 Ca -0.11 -0.49 0.01 0.00 0.48 0.00 0.00 55.95 55.84 1soq s SER 117 Cb -0.06 -0.19 0.01 0.00 0.10 0.00 0.00 66.02 65.88 1soq s SER 117 CO 0.01 0.14 -0.04 0.28 0.98 0.00 0.00 173.24 174.61 1soq s THR 118 N -0.78 0.38 0.03 2.02 -1.32 -1.26 -1.11 115.64 113.59 1soq s THR 118 Ca 0.06 -0.13 0.05 0.00 -1.21 0.00 0.00 61.69 60.47 1soq s THR 118 Cb -0.08 -0.37 -0.02 0.00 -1.51 0.00 0.00 72.50 70.52 1soq s THR 118 CO 0.01 0.14 -0.16 -0.89 -2.21 0.00 0.00 174.62 171.52 1soq s THR 119 N 0.36 1.23 -0.08 5.08 2.01 -0.41 -4.99 115.64 118.84 1soq s THR 119 Ca -0.04 -0.94 0.02 0.00 0.31 0.00 0.00 61.69 61.05 1soq s THR 119 Cb -0.07 -1.08 -0.02 0.00 0.01 0.00 0.00 72.50 71.33 1soq s THR 119 CO -0.00 0.13 -0.14 0.00 -0.69 0.00 0.00 174.62 173.91 1soq s ALA 120 N -0.70 2.62 -0.22 7.40 0.00 -1.26 -0.57 121.76 129.03 1soq s ALA 120 Ca 0.04 -0.95 -0.04 0.00 0.00 0.00 0.00 51.96 51.00 1soq s ALA 120 Cb -0.07 -1.03 -0.01 0.00 0.00 0.00 0.00 23.12 22.00 1soq s ALA 120 CO 0.01 0.44 -0.02 0.08 0.00 0.00 0.00 175.76 176.27 1soq s VAL 121 N -0.33 3.59 -0.23 0.00 1.01 -0.65 -4.98 120.40 118.81 1soq s VAL 121 Ca 0.03 -0.42 0.00 0.00 0.00 0.00 0.00 61.98 61.59 1soq s VAL 121 Cb -0.13 -2.64 0.03 0.00 0.00 0.00 0.00 36.38 33.65 1soq s VAL 121 CO 0.02 0.41 -0.11 -0.69 0.00 0.00 0.00 175.10 174.74 1soq s VAL 122 N 1.42 2.51 0.08 2.92 1.01 -1.26 -1.28 120.40 125.80 1soq s VAL 122 Ca 0.05 -1.13 0.09 0.00 0.00 0.00 0.00 61.98 60.98 1soq s VAL 122 Cb -0.14 -2.27 -0.03 0.00 0.00 0.00 0.00 36.38 33.94 1soq s VAL 122 CO -0.01 0.24 -0.23 0.42 0.00 0.00 0.00 175.10 175.51 1soq s THR 123 N 1.27 1.89 -0.32 3.92 -4.23 -0.83 -4.98 115.64 112.36 1soq s THR 123 Ca -0.01 -1.46 -0.09 0.00 -1.18 0.00 0.00 61.69 58.95 1soq s THR 123 Cb -0.16 -1.67 0.00 0.00 1.34 0.00 0.00 72.50 72.01 1soq s THR 123 CO -0.07 0.13 0.15 0.21 -0.54 0.00 0.00 174.62 174.50 1soq s ASN 124 N -1.59 5.53 0.00 3.99 3.04 -1.26 -1.20 114.94 123.44 1soq s ASN 124 Ca 0.09 -0.62 0.04 0.00 0.04 0.00 0.00 52.86 52.41 1soq s ASN 124 Cb -0.10 -1.99 0.23 0.00 -1.54 0.00 0.00 41.25 37.85 1soq s ASN 124 CO 0.03 -0.22 0.71 -2.65 -3.04 0.00 0.00 177.10 171.93