#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 -4.89 0.00 0.13 -1.84 -3.44 132.00 121.96 1soq h PRO 11 Ca 0.00 0.00 -0.67 0.00 -0.87 0.00 0.00 66.00 64.46 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 0.71 -0.81 -1.17 -0.23 0.00 0.00 178.00 176.50 1soq s LEU 12 N -6.52 3.28 -0.04 1.56 2.96 -1.26 0.99 118.68 119.65 1soq s LEU 12 Ca 0.02 -1.30 0.07 0.00 -0.22 0.00 0.00 54.13 52.70 1soq s LEU 12 Cb 0.09 -1.54 -0.02 0.00 0.50 0.00 0.00 46.19 45.22 1soq s LEU 12 CO 0.79 -0.17 -0.25 -0.04 -1.32 0.00 0.00 176.35 175.35 1soq s MET 13 N 1.13 2.30 -0.10 1.98 -1.94 0.45 -4.48 119.30 118.63 1soq s MET 13 Ca -0.07 -0.92 0.02 0.00 -1.71 0.00 0.00 55.69 53.01 1soq s MET 13 Cb -0.19 -2.10 0.01 0.00 2.01 0.00 0.00 34.83 34.56 1soq s MET 13 CO -0.06 0.48 -0.18 0.08 -0.01 0.00 0.00 175.02 175.34 1soq s VAL 14 N -0.42 1.63 -0.17 -6.03 1.01 -0.48 -0.33 120.40 115.62 1soq s VAL 14 Ca 0.04 -0.74 0.01 0.00 0.00 0.00 0.00 61.98 61.29 1soq s VAL 14 Cb -0.12 -1.46 0.02 0.00 0.00 0.00 0.00 36.38 34.83 1soq s VAL 14 CO 0.01 0.47 -0.15 -0.75 0.00 0.00 0.00 175.10 174.67 1soq s LYS 15 N 0.77 2.48 -0.23 2.72 2.47 0.01 -1.10 119.74 126.87 1soq s LYS 15 Ca -0.11 -0.68 -0.02 0.00 -1.56 0.00 0.00 55.97 53.60 1soq s LYS 15 Cb -0.16 -2.29 0.01 0.00 -1.46 0.00 0.00 37.83 33.93 1soq s LYS 15 CO 0.02 -0.25 -0.08 0.08 0.16 0.00 0.00 175.35 175.27 1soq s VAL 16 N 1.41 2.91 0.03 4.02 1.01 0.18 -0.39 120.40 129.57 1soq s VAL 16 Ca 0.04 -0.84 0.03 0.00 0.00 0.00 0.00 61.98 61.21 1soq s VAL 16 Cb -0.13 -2.39 -0.04 0.00 0.00 0.00 0.00 36.38 33.82 1soq s VAL 16 CO -0.11 0.33 -0.01 -0.76 0.00 0.00 0.00 175.10 174.55 1soq s LEU 17 N 1.37 3.46 -0.49 3.92 1.43 0.12 -0.07 118.68 128.42 1soq s LEU 17 Ca 0.03 -0.08 -0.12 0.00 -1.03 0.00 0.00 54.13 52.92 1soq s LEU 17 Cb -0.15 -2.07 0.12 0.00 0.03 0.00 0.00 46.19 44.11 1soq s LEU 17 CO -0.05 0.24 0.40 -0.62 0.23 0.00 0.00 176.35 176.55 1soq s ASP 18 N -1.84 5.92 0.25 2.29 -1.08 0.20 -0.81 116.67 121.60 1soq s ASP 18 Ca 0.22 -1.79 0.23 0.00 -0.52 0.00 0.00 52.55 50.69 1soq s ASP 18 Cb -0.12 -2.10 0.97 0.00 -1.46 0.00 0.00 42.92 40.22 1soq s ASP 18 CO 0.13 -0.74 1.68 0.00 0.52 0.00 0.00 175.17 176.76 1soq n ALA 19 N 5.06 1.58 -0.02 3.66 0.00 -0.09 -0.83 120.51 129.88 1soq n ALA 19 Ca -0.11 0.09 -0.22 0.00 0.00 0.00 0.00 53.44 53.21 1soq n ALA 19 Cb 0.41 -1.37 -0.13 0.00 0.00 0.00 0.00 19.45 18.36 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 0.85 0.00 0.00 2.07 -1.92 -3.40 116.25 113.85 1soq h VAL 20 Ca 0.00 -2.32 0.00 0.00 0.82 0.00 0.00 66.70 65.20 1soq h VAL 20 Cb 0.31 2.50 0.00 0.00 -1.52 0.00 0.00 31.29 32.58 1soq h VAL 20 CO 0.00 0.67 -1.09 0.54 0.02 0.00 0.00 177.57 177.71 1soq n ARG 21 N -3.90 0.21 -2.54 1.57 1.74 -1.18 -4.98 116.66 107.57 1soq n ARG 21 Ca -0.29 -0.03 -0.02 0.00 -0.77 0.00 0.00 57.85 56.74 1soq n ARG 21 Cb 0.89 -1.54 0.01 0.00 -1.02 0.00 0.00 32.46 30.80 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 1.41 0.79 3.43 -0.13 0.00 -0.01 -5.06 105.19 105.62 1soq n GLY 22 Ca 0.02 -0.62 -0.13 0.00 0.00 0.00 0.00 46.02 45.29 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 0.63 0.48 1.61 1.04 -1.01 -4.99 113.70 108.45 1soq s SER 23 Ca 0.04 -1.38 -0.23 0.00 0.48 0.00 0.00 55.95 54.87 1soq s SER 23 Cb -0.02 0.58 -0.07 0.00 0.10 0.00 0.00 66.02 66.61 1soq s SER 23 CO 0.06 -1.15 1.25 -2.84 0.98 0.00 0.00 173.24 171.54 1soq s PRO 24 N -3.53 3.60 -0.45 4.02 0.02 -1.26 0.60 135.00 138.00 1soq s PRO 24 Ca 0.32 1.98 -0.26 0.00 0.02 0.00 0.00 61.00 63.06 1soq s PRO 24 Cb 0.01 -2.42 0.03 0.00 0.02 0.00 0.00 34.50 32.14 1soq s PRO 24 CO 0.17 -0.74 0.97 0.00 -0.33 0.00 0.00 177.00 177.07 1soq s ALA 25 N -1.42 3.25 0.06 -1.55 0.00 0.90 -4.62 121.76 118.38 1soq s ALA 25 Ca 0.65 -0.68 -0.10 0.00 0.00 0.00 0.00 51.96 51.83 1soq s ALA 25 Cb -0.34 -3.68 -0.06 0.00 0.00 0.00 0.00 23.12 19.05 1soq s ALA 25 CO 0.41 -2.03 0.39 0.42 0.00 0.00 0.00 175.76 174.95 1soq s ILE 26 N 3.86 5.10 -1.55 0.00 1.01 -1.26 -4.17 121.20 124.18 1soq s ILE 26 Ca 0.39 0.49 -0.00 0.00 0.00 0.00 0.00 60.65 61.53 1soq s ILE 26 Cb -0.10 -3.65 0.00 0.00 0.01 0.00 0.00 42.46 38.73 1soq s ILE 26 CO 0.26 0.34 0.00 0.59 0.00 0.00 0.00 174.94 176.13 1soq n ASN 27 N 1.06 -5.28 -4.68 3.58 3.02 -0.54 -4.93 115.26 107.50 1soq n ASN 27 Ca -0.09 -0.02 -0.40 0.00 -0.03 0.00 0.00 54.58 54.04 1soq n ASN 27 Cb 0.52 -4.35 -0.06 0.00 -0.61 0.00 0.00 39.78 35.29 1soq n ASN 27 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1soq s VAL 28 N -2.91 5.04 0.18 2.41 1.01 -1.26 -4.71 120.40 120.16 1soq s VAL 28 Ca 0.00 1.21 -0.31 0.00 0.00 0.00 0.00 61.98 62.89 1soq s VAL 28 Cb -0.00 -3.95 -0.09 0.00 0.00 0.00 0.00 36.38 32.34 1soq s VAL 28 CO 0.00 0.15 1.42 0.00 0.00 0.00 0.00 175.10 176.68 1soq s ALA 29 N 1.61 3.63 -0.07 5.51 0.00 -1.26 -1.62 121.76 129.55 1soq s ALA 29 Ca 0.30 1.23 0.01 0.00 0.00 0.00 0.00 51.96 53.50 1soq s ALA 29 Cb -0.16 -3.55 0.02 0.00 0.00 0.00 0.00 23.12 19.43 1soq s ALA 29 CO 0.12 -0.67 -0.09 0.08 0.00 0.00 0.00 175.76 175.20 1soq s VAL 30 N 0.57 0.93 -0.05 0.00 1.01 -0.50 -1.12 120.40 121.24 1soq s VAL 30 Ca 0.62 -0.32 0.06 0.00 0.00 0.00 0.00 61.98 62.34 1soq s VAL 30 Cb -0.40 -0.90 -0.01 0.00 0.00 0.00 0.00 36.38 35.08 1soq s VAL 30 CO 0.36 0.32 -0.23 -1.00 0.00 0.00 0.00 175.10 174.55 1soq s HIS 31 N 1.00 2.24 -0.00 5.22 3.76 0.47 -1.69 115.29 126.30 1soq s HIS 31 Ca -0.09 -0.64 0.05 0.00 -0.15 0.00 0.00 55.06 54.23 1soq s HIS 31 Cb -0.15 -1.47 -0.03 0.00 1.11 0.00 0.00 32.58 32.04 1soq s HIS 31 CO -0.00 -0.19 -0.13 0.08 -0.85 0.00 0.00 174.74 173.66 1soq s VAL 32 N -0.16 3.20 0.14 -0.90 1.01 0.58 -0.20 120.40 124.06 1soq s VAL 32 Ca -0.02 -0.88 0.04 0.00 0.00 0.00 0.00 61.98 61.11 1soq s VAL 32 Cb -0.13 -2.33 -0.04 0.00 0.00 0.00 0.00 36.38 33.88 1soq s VAL 32 CO 0.03 0.44 -0.10 -0.36 0.00 0.00 0.00 175.10 175.11 1soq s PHE 33 N -0.89 1.20 0.02 5.22 0.08 0.26 -1.05 117.98 122.82 1soq s PHE 33 Ca 0.14 -0.78 0.07 0.00 0.12 0.00 0.00 56.93 56.48 1soq s PHE 33 Cb -0.11 -0.62 -0.02 0.00 -0.57 0.00 0.00 43.02 41.70 1soq s PHE 33 CO 0.04 0.04 -0.20 0.50 -0.10 0.00 0.00 175.22 175.50 1soq s ARG 34 N -3.74 1.46 -0.14 0.44 3.52 -0.50 -1.48 118.95 118.52 1soq s ARG 34 Ca 0.16 -0.86 -0.29 0.00 -0.13 0.00 0.00 55.73 54.60 1soq s ARG 34 Cb 0.03 -1.52 -0.02 0.00 -1.56 0.00 0.00 34.95 31.88 1soq s ARG 34 CO -0.00 0.40 1.23 0.21 -0.81 0.00 0.00 175.30 176.32 1soq s LYS 35 N -0.94 4.27 0.45 5.12 2.20 0.03 -1.61 119.74 129.26 1soq s LYS 35 Ca 0.07 1.64 -0.09 0.00 -0.36 0.00 0.00 55.97 57.24 1soq s LYS 35 Cb -0.08 -3.70 -0.05 0.00 -1.51 0.00 0.00 37.83 32.48 1soq s LYS 35 CO 0.01 -0.63 0.80 0.00 -0.36 0.00 0.00 175.35 175.17 1soq s ALA 36 N 3.13 3.34 0.47 3.13 0.00 0.89 -4.75 121.76 127.97 1soq s ALA 36 Ca 0.54 -0.28 0.32 0.00 0.00 0.00 0.00 51.96 52.53 1soq s ALA 36 Cb -0.22 -2.71 1.42 0.00 0.00 0.00 0.00 23.12 21.61 1soq s ALA 36 CO 0.16 -0.19 1.70 0.00 0.00 0.00 0.00 175.76 177.43 1soq h ALA 37 N 0.77 2.87 -0.21 0.00 0.00 -1.95 1.30 119.26 122.03 1soq h ALA 37 Ca -0.47 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.48 1soq h ALA 37 Cb 1.19 0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.11 1soq h ALA 37 CO 0.63 -1.36 0.00 -0.40 0.00 0.00 0.00 179.25 178.12 1soq n ASP 38 N -4.44 2.15 -2.33 0.00 5.75 -1.26 -4.88 116.55 111.54 1soq n ASP 38 Ca 0.32 -2.21 -0.20 0.00 -0.01 0.00 0.00 54.79 52.69 1soq n ASP 38 Cb 1.33 -0.43 -0.02 0.00 -1.03 0.00 0.00 41.12 40.97 1soq n ASP 38 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 1soq n ASP 39 N 0.21 -5.79 -4.81 -1.12 8.00 0.45 -5.00 116.55 108.48 1soq n ASP 39 Ca 0.09 0.04 -0.22 0.00 0.71 0.00 0.00 54.79 55.41 1soq n ASP 39 Cb 0.45 -4.85 -0.05 0.00 -0.02 0.00 0.00 41.12 36.66 1soq n ASP 39 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1soq s THR 40 N -3.00 4.03 -0.43 -3.53 -4.23 -1.24 -4.85 115.64 102.40 1soq s THR 40 Ca 0.00 -1.46 -0.17 0.00 -1.18 0.00 0.00 61.69 58.88 1soq s THR 40 Cb 0.00 -3.27 0.03 0.00 1.34 0.00 0.00 72.50 70.60 1soq s THR 40 CO 0.00 -0.30 0.41 0.26 -0.54 0.00 0.00 174.62 174.45 1soq s TRP 41 N -2.21 3.19 -0.13 3.99 0.52 -1.26 -0.08 118.94 122.95 1soq s TRP 41 Ca 0.35 -0.47 -0.11 0.00 0.02 0.00 0.00 56.10 55.90 1soq s TRP 41 Cb -0.07 -2.87 -0.05 0.00 -1.15 0.00 0.00 33.47 29.34 1soq s TRP 41 CO 0.25 -0.70 0.22 -1.83 0.02 0.00 0.00 176.95 174.91 1soq s GLU 42 N 2.02 3.87 0.32 4.98 -1.05 -0.63 -4.88 118.70 123.33 1soq s GLU 42 Ca 0.10 -0.00 -0.28 0.00 -0.15 0.00 0.00 54.97 54.63 1soq s GLU 42 Cb -0.18 -3.30 -0.13 0.00 -0.44 0.00 0.00 34.13 30.08 1soq s GLU 42 CO 0.12 0.53 1.21 -2.30 0.95 0.00 0.00 175.26 175.78 1soq n PRO 43 N 2.66 1.88 0.00 -4.83 -0.02 -1.26 -1.40 135.00 132.02 1soq n PRO 43 Ca -0.16 0.66 0.00 0.00 -2.02 0.00 0.00 63.50 61.98 1soq n PRO 43 Cb 0.53 -2.18 0.00 0.00 -0.02 0.00 0.00 33.50 31.83 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 0.45 0.00 -3.53 6.00 7.35 -0.21 -4.79 117.46 122.73 1soq n PHE 44 Ca 0.07 0.00 -0.07 0.00 -0.76 0.00 0.00 57.45 56.68 1soq n PHE 44 Cb 0.34 0.00 -0.02 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 -1.56 -1.89 -0.01 3.13 0.00 -1.15 -4.98 121.76 115.31 1soq s ALA 45 Ca 0.00 1.17 -0.25 0.00 0.00 0.00 0.00 51.96 52.88 1soq s ALA 45 Cb 0.00 0.25 0.06 0.00 0.00 0.00 0.00 23.12 23.43 1soq s ALA 45 CO 0.00 -0.65 0.56 0.45 0.00 0.00 0.00 175.76 176.12 1soq s SER 46 N -2.37 -0.51 0.08 0.00 0.15 -1.26 -0.31 113.70 109.49 1soq s SER 46 Ca 0.06 0.42 -0.18 0.00 0.70 0.00 0.00 55.95 56.95 1soq s SER 46 Cb -0.01 0.49 0.06 0.00 -1.71 0.00 0.00 66.02 64.85 1soq s SER 46 CO -0.08 -0.63 0.84 0.61 1.20 0.00 0.00 173.24 175.18 1soq n GLY 47 N 0.77 0.62 2.90 9.45 0.00 -0.68 -4.95 105.19 113.30 1soq n GLY 47 Ca -0.19 -1.06 -0.19 0.00 0.00 0.00 0.00 46.02 44.58 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 -2.03 0.70 0.64 1.61 1.02 -1.26 -1.41 119.74 119.01 1soq s LYS 48 Ca 0.19 -0.10 -0.18 0.00 0.02 0.00 0.00 55.97 55.90 1soq s LYS 48 Cb -0.02 -0.72 -0.01 0.00 -0.52 0.00 0.00 37.83 36.56 1soq s LYS 48 CO 0.03 -0.05 1.29 0.95 -0.92 0.00 0.00 175.35 176.65 1soq s THR 49 N 0.74 2.07 0.96 2.17 -4.23 -0.64 -4.81 115.64 111.90 1soq s THR 49 Ca -0.09 0.04 -0.15 0.00 -1.18 0.00 0.00 61.69 60.32 1soq s THR 49 Cb -0.12 -3.02 0.21 0.00 1.34 0.00 0.00 72.50 70.91 1soq s THR 49 CO -0.00 -0.01 1.31 -0.94 -0.54 0.00 0.00 174.62 174.44 1soq s SER 50 N -1.39 3.04 0.49 3.99 1.04 -1.15 -1.46 113.70 118.25 1soq s SER 50 Ca 0.82 0.09 0.27 0.00 0.48 0.00 0.00 55.95 57.61 1soq s SER 50 Cb -0.37 -0.09 1.49 0.00 0.10 0.00 0.00 66.02 67.15 1soq s SER 50 CO 0.39 -2.77 1.82 1.05 0.98 0.00 0.00 173.24 174.72 1soq h GLU 51 N -1.60 0.00 -0.51 4.02 4.11 -1.92 0.39 114.58 119.07 1soq h GLU 51 Ca -0.43 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.00 1soq h GLU 51 Cb 1.22 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.47 1soq h GLU 51 CO 0.33 0.00 0.00 -1.13 0.07 0.00 0.00 179.01 178.28 1soq n SER 52 N -2.56 4.32 -2.09 3.06 3.41 -1.26 -4.78 113.62 113.72 1soq n SER 52 Ca -0.02 -2.51 -0.19 0.00 -0.26 0.00 0.00 58.87 55.90 1soq n SER 52 Cb 0.18 -0.52 -0.01 0.00 -0.26 0.00 0.00 64.21 63.61 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 0.66 -0.31 3.04 5.00 0.00 0.14 -4.83 105.19 108.88 1soq n GLY 53 Ca 0.22 -0.10 -0.09 0.00 0.00 0.00 0.00 46.02 46.05 1soq n GLY 53 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1soq s GLU 54 N -4.87 0.47 -0.05 1.61 4.04 -1.26 0.48 118.70 119.12 1soq s GLU 54 Ca 0.00 -0.88 0.05 0.00 0.04 0.00 0.00 54.97 54.18 1soq s GLU 54 Cb 0.00 0.09 -0.01 0.00 0.02 0.00 0.00 34.13 34.23 1soq s GLU 54 CO 0.00 -0.06 -0.22 -0.51 -1.84 0.00 0.00 175.26 172.63 1soq s LEU 55 N -2.08 2.00 0.00 1.83 1.43 -0.26 -2.92 118.68 118.69 1soq s LEU 55 Ca -0.06 -0.44 0.00 0.00 -1.03 0.00 0.00 54.13 52.61 1soq s LEU 55 Cb -0.03 -1.18 0.00 0.00 0.03 0.00 0.00 46.19 45.01 1soq s LEU 55 CO -0.04 0.21 0.00 0.00 0.23 0.00 0.00 176.35 176.75 1soq n HIS 56 N 2.98 0.00 -1.49 0.29 1.44 -1.26 -1.38 115.22 115.80 1soq n HIS 56 Ca -0.17 0.00 -0.05 0.00 -2.01 0.00 0.00 57.72 55.48 1soq n HIS 56 Cb 0.52 0.00 0.19 0.00 0.12 0.00 0.00 29.99 30.83 1soq n HIS 56 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1soq n GLY 57 N 0.64 4.99 0.25 -1.39 0.00 -1.26 -3.69 105.19 104.73 1soq n GLY 57 Ca 0.00 -1.30 0.02 0.00 0.00 0.00 0.00 46.02 44.74 1soq n GLY 57 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1soq h LEU 58 N 1.05 0.28 0.00 0.99 3.38 -1.89 -3.47 115.31 115.66 1soq h LEU 58 Ca 0.23 -0.06 -0.09 0.00 0.09 0.00 0.00 57.88 58.05 1soq h LEU 58 Cb 1.62 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 42.28 1soq h LEU 58 CO 0.40 0.42 0.02 1.07 0.09 0.00 0.00 178.44 180.45 1soq n THR 59 N -4.27 0.00 -4.30 0.22 5.66 -1.26 -4.78 114.28 105.55 1soq n THR 59 Ca -0.00 -0.76 -0.16 0.00 -3.05 0.00 0.00 64.05 60.08 1soq n THR 59 Cb 0.27 0.56 -0.10 0.00 -1.55 0.00 0.00 70.33 69.50 1soq n THR 59 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 1soq s THR 60 N -2.59 0.69 0.34 1.09 -4.23 -1.26 -3.77 115.64 105.90 1soq s THR 60 Ca 0.12 -2.00 0.08 0.00 -1.18 0.00 0.00 61.69 58.71 1soq s THR 60 Cb -0.01 -2.43 0.32 0.00 1.34 0.00 0.00 72.50 71.71 1soq s THR 60 CO 0.09 -0.20 1.85 -0.33 -0.54 0.00 0.00 174.62 175.49 1soq h GLU 61 N 2.49 0.72 0.01 3.99 5.08 -1.97 -1.23 114.58 123.66 1soq h GLU 61 Ca -0.38 -0.04 -0.26 0.00 -1.00 0.00 0.00 59.36 57.68 1soq h GLU 61 Cb 1.23 -0.16 0.02 0.00 0.50 0.00 0.00 28.75 30.33 1soq h GLU 61 CO 0.62 0.47 -1.03 1.05 -1.00 0.00 0.00 179.01 179.12 1soq h GLU 62 N 0.74 0.61 0.01 2.33 9.09 -2.05 -3.35 114.58 121.95 1soq h GLU 62 Ca 0.47 -0.67 -0.20 0.00 0.05 0.00 0.00 59.36 59.01 1soq h GLU 62 Cb 0.72 0.19 -0.03 0.00 -1.65 0.00 0.00 28.75 27.99 1soq h GLU 62 CO -0.23 1.27 -0.96 0.93 0.05 0.00 0.00 179.01 180.07 1soq h GLU 63 N 0.34 0.03 -5.79 1.06 5.08 -1.83 -3.40 114.58 110.06 1soq h GLU 63 Ca -0.12 -0.04 -0.65 0.00 -1.00 0.00 0.00 59.36 57.55 1soq h GLU 63 Cb 1.68 0.01 -0.08 0.00 0.50 0.00 0.00 28.75 30.87 1soq h GLU 63 CO 0.20 0.96 2.12 0.34 -1.00 0.00 0.00 179.01 181.62 1soq n PHE 64 N -3.44 4.47 -2.53 4.33 7.35 -0.52 -4.94 117.46 122.18 1soq n PHE 64 Ca -0.01 -2.71 -0.26 0.00 -0.76 0.00 0.00 57.45 53.70 1soq n PHE 64 Cb 0.89 -2.64 0.02 0.00 0.35 0.00 0.00 39.48 38.11 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 4.86 4.10 0.22 -2.13 -7.23 -1.26 -4.97 120.40 113.99 1soq s VAL 65 Ca 0.55 0.02 -0.32 0.00 -1.81 0.00 0.00 61.98 60.42 1soq s VAL 65 Cb 0.04 -3.59 -0.14 0.00 0.56 0.00 0.00 36.38 33.25 1soq s VAL 65 CO 0.08 -0.58 1.41 1.21 -0.31 0.00 0.00 175.10 176.91 1soq n GLU 66 N -2.42 1.97 -3.63 4.82 0.00 -1.26 -4.85 120.64 115.26 1soq n GLU 66 Ca 0.03 0.70 0.00 0.00 0.00 0.00 0.00 57.16 57.89 1soq n GLU 66 Cb 0.57 -2.36 0.00 0.00 0.00 0.00 0.00 31.44 29.65 1soq n GLU 66 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1soq n GLY 67 N 2.29 -2.00 3.49 8.31 0.00 -1.03 -5.00 105.19 111.25 1soq n GLY 67 Ca 0.13 -1.17 -0.38 0.00 0.00 0.00 0.00 46.02 44.60 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 -2.29 4.71 0.06 -0.61 1.01 -1.26 -0.18 121.20 122.64 1soq s ILE 68 Ca 0.00 -0.16 0.05 0.00 0.00 0.00 0.00 60.65 60.54 1soq s ILE 68 Cb 0.00 -3.29 -0.04 0.00 0.01 0.00 0.00 42.46 39.15 1soq s ILE 68 CO 0.00 0.21 -0.09 -0.31 0.00 0.00 0.00 174.94 174.76 1soq s TYR 69 N 1.66 2.80 -0.19 3.97 1.51 0.28 -0.79 117.35 126.58 1soq s TYR 69 Ca 0.06 -0.11 0.01 0.00 -1.01 0.00 0.00 57.07 56.01 1soq s TYR 69 Cb -0.16 -1.51 0.04 0.00 -0.11 0.00 0.00 41.96 40.22 1soq s TYR 69 CO 0.07 0.39 -0.10 0.21 -1.11 0.00 0.00 175.55 175.01 1soq s LYS 70 N -1.85 1.94 -0.25 -0.62 2.20 -0.55 -1.19 119.74 119.43 1soq s LYS 70 Ca 0.20 -0.79 -0.09 0.00 -0.36 0.00 0.00 55.97 54.92 1soq s LYS 70 Cb -0.11 -2.35 -0.04 0.00 -1.51 0.00 0.00 37.83 33.81 1soq s LYS 70 CO 0.11 -0.43 0.13 0.08 -0.36 0.00 0.00 175.35 174.89 1soq s VAL 71 N 1.43 5.02 -0.12 4.02 1.01 1.00 -0.57 120.40 132.19 1soq s VAL 71 Ca -0.01 0.07 0.02 0.00 0.00 0.00 0.00 61.98 62.06 1soq s VAL 71 Cb -0.16 -3.35 0.01 0.00 0.00 0.00 0.00 36.38 32.88 1soq s VAL 71 CO -0.08 0.33 -0.20 -0.70 0.00 0.00 0.00 175.10 174.45 1soq s GLU 72 N 1.31 2.70 -0.22 2.72 2.12 0.72 -0.67 118.70 127.37 1soq s GLU 72 Ca 0.06 -0.74 -0.04 0.00 0.36 0.00 0.00 54.97 54.61 1soq s GLU 72 Cb -0.15 -2.19 -0.01 0.00 0.26 0.00 0.00 34.13 32.04 1soq s GLU 72 CO 0.06 -0.01 -0.03 0.42 -0.54 0.00 0.00 175.26 175.16 1soq s ILE 73 N 0.82 3.49 -1.27 -3.70 1.01 0.51 -0.39 121.20 121.67 1soq s ILE 73 Ca -0.09 -0.45 -0.19 0.00 0.00 0.00 0.00 60.65 59.92 1soq s ILE 73 Cb -0.16 -2.59 0.02 0.00 0.01 0.00 0.00 42.46 39.74 1soq s ILE 73 CO -0.00 0.42 1.86 -0.67 0.00 0.00 0.00 174.94 176.54 1soq n ASP 74 N 4.71 4.26 0.13 3.58 2.03 -0.27 -1.67 116.55 129.32 1soq n ASP 74 Ca -0.18 -2.85 -0.01 0.00 0.52 0.00 0.00 54.79 52.28 1soq n ASP 74 Cb 0.51 -1.70 0.15 0.00 -0.72 0.00 0.00 41.12 39.36 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 5.45 1.36 0.29 5.18 1.35 -1.87 -3.25 112.91 121.41 1soq h THR 75 Ca 0.41 -2.21 -0.00 0.00 -0.55 0.00 0.00 66.41 64.06 1soq h THR 75 Cb 0.85 2.22 -0.02 0.00 -1.73 0.00 0.00 68.15 69.47 1soq h THR 75 CO 1.49 0.61 -0.25 0.50 -0.25 0.00 0.00 175.52 177.62 1soq h LYS 76 N 0.00 -0.53 -0.70 4.72 3.64 -1.76 -1.31 116.57 120.62 1soq h LYS 76 Ca -0.01 0.04 0.02 0.00 -1.27 0.00 0.00 60.65 59.43 1soq h LYS 76 Cb 1.17 0.12 -0.04 0.00 -0.41 0.00 0.00 32.23 33.07 1soq h LYS 76 CO 0.08 -0.36 0.45 0.77 -2.27 0.00 0.00 179.45 178.12 1soq h SER 77 N -0.55 0.74 -0.30 4.20 0.02 -1.89 -0.78 113.55 114.99 1soq h SER 77 Ca -0.02 -0.01 0.06 0.00 -0.84 0.00 0.00 61.79 60.99 1soq h SER 77 Cb 0.50 -0.17 -0.06 0.00 0.14 0.00 0.00 62.40 62.81 1soq h SER 77 CO -0.03 0.52 -0.07 0.22 -1.14 0.00 0.00 176.83 176.33 1soq h TYR 78 N 0.88 -0.15 -0.16 3.45 3.20 -1.53 -2.41 116.97 120.26 1soq h TYR 78 Ca 0.27 0.03 -0.09 0.00 3.14 0.00 0.00 58.73 62.08 1soq h TYR 78 Cb -0.02 0.11 -0.00 0.00 1.54 0.00 0.00 36.73 38.36 1soq h TYR 78 CO -0.04 -0.12 -0.25 -1.49 -1.64 0.00 0.00 178.16 174.62 1soq h TRP 79 N 0.00 0.56 -0.95 -3.82 4.06 -0.94 -3.29 115.95 111.57 1soq h TRP 79 Ca 0.14 -0.19 0.20 0.00 2.06 0.00 0.00 58.89 61.10 1soq h TRP 79 Cb 0.22 -0.11 -0.08 0.00 -1.00 0.00 0.00 29.16 28.18 1soq h TRP 79 CO -0.28 0.88 0.61 0.87 -3.56 0.00 0.00 178.44 176.96 1soq h LYS 80 N 0.07 0.53 -0.97 0.49 1.57 -0.92 -0.86 116.57 116.49 1soq h LYS 80 Ca 0.01 -0.03 0.01 0.00 -1.87 0.00 0.00 60.65 58.77 1soq h LYS 80 Cb 0.83 -0.12 -0.05 0.00 0.08 0.00 0.00 32.23 32.97 1soq h LYS 80 CO 0.06 0.35 0.64 0.00 -0.57 0.00 0.00 179.45 179.93 1soq h ALA 81 N 1.62 1.31 0.00 3.86 0.00 -1.51 0.67 119.26 125.21 1soq h ALA 81 Ca 0.52 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.36 1soq h ALA 81 Cb 1.09 -0.39 0.00 0.00 0.00 0.00 0.00 17.79 18.49 1soq h ALA 81 CO -0.26 0.63 0.00 1.28 0.00 0.00 0.00 179.25 180.90 1soq n LEU 82 N -4.39 0.00 0.00 0.00 4.77 -0.38 -4.81 117.00 112.19 1soq n LEU 82 Ca 0.12 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.10 1soq n LEU 82 Cb 0.02 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.11 1soq n LEU 82 CO 0.37 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.04 1soq n GLY 83 N 0.60 0.53 3.85 -0.72 0.00 0.23 -5.04 105.19 104.63 1soq n GLY 83 Ca 0.08 -0.46 -0.37 0.00 0.00 0.00 0.00 46.02 45.27 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 5.40 -0.64 -0.61 1.01 -0.89 -4.97 121.20 118.50 1soq s ILE 84 Ca 0.00 0.35 -0.10 0.00 0.00 0.00 0.00 60.65 60.89 1soq s ILE 84 Cb 0.00 -3.48 0.17 0.00 0.01 0.00 0.00 42.46 39.16 1soq s ILE 84 CO 0.00 0.59 0.53 -0.55 0.00 0.00 0.00 174.94 175.51 1soq s SER 85 N -0.86 6.01 0.81 3.58 0.15 -1.26 -2.70 113.70 119.44 1soq s SER 85 Ca 0.16 -2.41 -0.08 0.00 0.70 0.00 0.00 55.95 54.33 1soq s SER 85 Cb -0.13 -2.06 0.14 0.00 -1.71 0.00 0.00 66.02 62.26 1soq s SER 85 CO 0.05 -0.59 1.12 -2.16 1.20 0.00 0.00 173.24 172.87 1soq s PRO 86 N 0.62 1.37 -0.09 5.44 0.04 -1.26 -5.02 135.00 136.09 1soq s PRO 86 Ca 0.12 -0.69 -0.14 0.00 0.04 0.00 0.00 61.00 60.33 1soq s PRO 86 Cb -0.20 -2.12 -0.11 0.00 0.04 0.00 0.00 34.50 32.11 1soq s PRO 86 CO -0.04 -1.78 0.47 0.35 0.04 0.00 0.00 177.00 176.04 1soq h PHE 87 N -0.97 -0.10 -4.06 0.56 3.57 -1.39 -3.47 116.94 111.08 1soq h PHE 87 Ca -0.41 -0.00 -0.45 0.00 3.53 0.00 0.00 57.97 60.64 1soq h PHE 87 Cb 1.26 0.03 -0.00 0.00 2.79 0.00 0.00 35.95 40.03 1soq h PHE 87 CO -0.47 0.29 0.36 -1.01 -2.23 0.00 0.00 178.31 175.24 1soq s HIS 88 N -2.34 3.21 -0.06 0.41 0.09 -1.26 -4.94 115.29 110.39 1soq s HIS 88 Ca -0.09 1.60 0.16 0.00 -0.00 0.00 0.00 55.06 56.73 1soq s HIS 88 Cb -0.01 -2.92 0.21 0.00 -0.00 0.00 0.00 32.58 29.86 1soq s HIS 88 CO 0.32 -0.35 1.51 0.93 -0.00 0.00 0.00 174.74 177.14 1soq h GLU 89 N 1.80 0.00 -1.73 1.40 4.39 -1.98 -3.39 114.58 115.07 1soq h GLU 89 Ca -0.49 0.00 0.35 0.00 0.34 0.00 0.00 59.36 59.56 1soq h GLU 89 Cb 1.19 0.00 -0.10 0.00 -0.10 0.00 0.00 28.75 29.75 1soq h GLU 89 CO 0.60 0.50 0.91 -3.38 -1.16 0.00 0.00 179.01 176.48 1soq s HIS 90 N -3.10 -0.00 -0.15 4.33 -3.43 -1.26 -4.03 115.29 107.65 1soq s HIS 90 Ca 0.03 -0.08 0.00 0.00 -0.80 0.00 0.00 55.06 54.21 1soq s HIS 90 Cb 0.08 0.54 -0.01 0.00 -1.43 0.00 0.00 32.58 31.77 1soq s HIS 90 CO 0.73 -0.21 -0.15 0.00 -2.00 0.00 0.00 174.74 173.12 1soq s ALA 91 N -2.14 2.52 0.02 -1.38 0.00 -0.67 -4.90 121.76 115.22 1soq s ALA 91 Ca 0.23 -1.00 0.02 0.00 0.00 0.00 0.00 51.96 51.21 1soq s ALA 91 Cb 0.02 -1.21 -0.02 0.00 0.00 0.00 0.00 23.12 21.92 1soq s ALA 91 CO -0.03 0.06 -0.06 -1.83 0.00 0.00 0.00 175.76 173.91 1soq s GLU 92 N 0.66 0.44 -0.14 0.00 -1.05 -1.26 -0.37 118.70 116.98 1soq s GLU 92 Ca -0.08 -0.53 0.02 0.00 -0.15 0.00 0.00 54.97 54.23 1soq s GLU 92 Cb -0.16 -0.26 0.01 0.00 -0.44 0.00 0.00 34.13 33.28 1soq s GLU 92 CO 0.02 0.05 -0.21 0.08 0.95 0.00 0.00 175.26 176.15 1soq s VAL 93 N -0.95 2.11 -0.11 1.83 1.01 0.15 -4.98 120.40 119.47 1soq s VAL 93 Ca -0.07 -0.96 0.04 0.00 0.00 0.00 0.00 61.98 60.99 1soq s VAL 93 Cb -0.07 -1.85 0.00 0.00 0.00 0.00 0.00 36.38 34.46 1soq s VAL 93 CO 0.00 0.55 -0.23 -0.69 0.00 0.00 0.00 175.10 174.73 1soq s VAL 94 N 0.84 2.02 0.04 2.92 1.01 -1.26 -0.00 120.40 125.96 1soq s VAL 94 Ca -0.06 -0.98 -0.24 0.00 0.00 0.00 0.00 61.98 60.70 1soq s VAL 94 Cb -0.15 -1.76 0.06 0.00 0.00 0.00 0.00 36.38 34.53 1soq s VAL 94 CO -0.02 0.55 0.55 0.72 0.00 0.00 0.00 175.10 176.89 1soq s PHE 95 N 0.49 -0.47 -0.15 5.22 -0.71 -0.33 -5.02 117.98 117.01 1soq s PHE 95 Ca -0.16 0.58 -0.21 0.00 -1.04 0.00 0.00 56.93 56.11 1soq s PHE 95 Cb -0.17 0.36 -0.03 0.00 -1.21 0.00 0.00 43.02 41.97 1soq s PHE 95 CO 0.06 -0.64 0.61 0.99 -1.34 0.00 0.00 175.22 174.89 1soq s THR 96 N -2.27 5.07 -0.00 -4.49 2.01 -1.26 -0.56 115.64 114.14 1soq s THR 96 Ca -0.06 1.19 -0.01 0.00 0.31 0.00 0.00 61.69 63.12 1soq s THR 96 Cb -0.01 -3.94 -0.04 0.00 0.01 0.00 0.00 72.50 68.53 1soq s THR 96 CO -0.00 0.19 0.12 0.00 -0.69 0.00 0.00 174.62 174.24 1soq s ALA 97 N 1.36 3.72 -1.27 7.40 0.00 0.75 -4.57 121.76 129.15 1soq s ALA 97 Ca 0.30 -0.84 -0.02 0.00 0.00 0.00 0.00 51.96 51.40 1soq s ALA 97 Cb -0.16 -1.69 0.01 0.00 0.00 0.00 0.00 23.12 21.28 1soq s ALA 97 CO 0.12 0.71 0.16 0.09 0.00 0.00 0.00 175.76 176.84 1soq n ASN 98 N 1.06 -4.44 0.01 0.00 3.02 -1.26 -2.46 115.26 111.19 1soq n ASN 98 Ca -0.12 0.01 -0.11 0.00 -0.03 0.00 0.00 54.58 54.32 1soq n ASN 98 Cb 0.53 -3.72 -0.06 0.00 -0.61 0.00 0.00 39.78 35.92 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 -0.33 0.08 -0.85 6.41 3.58 -1.91 -3.06 116.42 120.34 1soq h ASP 99 Ca -0.38 -0.00 -0.51 0.00 0.42 0.00 0.00 57.03 56.56 1soq h ASP 99 Cb 1.27 -0.02 -0.28 0.00 1.72 0.00 0.00 39.33 42.02 1soq h ASP 99 CO 0.44 0.06 0.45 -1.20 -2.88 0.00 0.00 179.24 176.11 1soq n SER 100 N -5.04 4.95 0.00 2.28 7.64 -1.26 -5.03 113.62 117.17 1soq n SER 100 Ca -0.06 -3.72 0.00 0.00 1.01 0.00 0.00 58.87 56.10 1soq n SER 100 Cb 0.03 -0.80 0.00 0.00 -1.01 0.00 0.00 64.21 62.43 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 -1.03 2.31 3.75 0.23 0.00 -1.16 -5.04 105.19 104.25 1soq n GLY 101 Ca 0.54 -1.99 -0.38 0.00 0.00 0.00 0.00 46.02 44.19 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 -2.55 3.11 0.05 1.61 0.02 -1.26 -4.24 135.00 131.74 1soq s PRO 102 Ca 0.00 2.25 -0.08 0.00 0.02 0.00 0.00 61.00 63.19 1soq s PRO 102 Cb 0.00 -2.24 -0.01 0.00 0.02 0.00 0.00 34.50 32.27 1soq s PRO 102 CO 0.00 -1.22 0.15 1.03 -0.33 0.00 0.00 177.00 176.63 1soq s ARG 103 N -2.92 0.70 -0.08 5.54 1.81 -1.26 -4.76 118.95 117.97 1soq s ARG 103 Ca 0.72 -0.80 -0.12 0.00 -1.72 0.00 0.00 55.73 53.80 1soq s ARG 103 Cb -0.41 0.28 -0.05 0.00 -0.45 0.00 0.00 34.95 34.33 1soq s ARG 103 CO 0.48 -0.20 0.30 1.03 -0.68 0.00 0.00 175.30 176.23 1soq s ARG 104 N -3.06 3.88 -0.15 3.54 0.52 0.19 -4.90 118.95 118.98 1soq s ARG 104 Ca -0.01 0.16 0.01 0.00 -0.52 0.00 0.00 55.73 55.37 1soq s ARG 104 Cb 0.01 -3.27 0.02 0.00 0.52 0.00 0.00 34.95 32.23 1soq s ARG 104 CO -0.07 0.58 -0.16 0.71 0.02 0.00 0.00 175.30 176.38 1soq s TYR 105 N -0.59 2.27 -0.23 -0.53 1.51 0.28 -1.55 117.35 118.51 1soq s TYR 105 Ca 0.19 -1.24 -0.04 0.00 -1.01 0.00 0.00 57.07 54.97 1soq s TYR 105 Cb -0.14 -1.63 -0.00 0.00 -0.11 0.00 0.00 41.96 40.07 1soq s TYR 105 CO 0.08 -0.65 -0.04 0.99 -1.11 0.00 0.00 175.55 174.81 1soq s THR 106 N 1.30 3.30 -0.31 -0.71 2.01 -0.22 -0.42 115.64 120.60 1soq s THR 106 Ca 0.02 -0.58 -0.08 0.00 0.31 0.00 0.00 61.69 61.36 1soq s THR 106 Cb -0.13 -2.53 0.01 0.00 0.01 0.00 0.00 72.50 69.86 1soq s THR 106 CO -0.09 0.38 0.10 -0.63 -0.69 0.00 0.00 174.62 173.70 1soq s ILE 107 N 1.46 4.09 -0.08 1.82 1.01 0.55 -0.55 121.20 129.49 1soq s ILE 107 Ca 0.05 -0.71 -0.16 0.00 0.00 0.00 0.00 60.65 59.83 1soq s ILE 107 Cb -0.15 -3.14 -0.05 0.00 0.01 0.00 0.00 42.46 39.13 1soq s ILE 107 CO -0.04 0.03 0.41 -0.31 0.00 0.00 0.00 174.94 175.03 1soq s TYR 108 N 1.51 3.58 -0.18 3.97 1.51 0.10 -0.81 117.35 127.04 1soq s TYR 108 Ca 0.02 0.86 -0.01 0.00 -1.01 0.00 0.00 57.07 56.94 1soq s TYR 108 Cb -0.18 -2.40 0.05 0.00 -0.11 0.00 0.00 41.96 39.32 1soq s TYR 108 CO 0.03 0.36 -0.04 0.00 -1.11 0.00 0.00 175.55 174.80 1soq s ALA 109 N -0.05 1.50 -0.23 3.71 0.00 0.48 -0.79 121.76 126.37 1soq s ALA 109 Ca 0.23 -0.90 -0.09 0.00 0.00 0.00 0.00 51.96 51.20 1soq s ALA 109 Cb -0.15 -1.18 -0.04 0.00 0.00 0.00 0.00 23.12 21.74 1soq s ALA 109 CO 0.10 -0.91 0.11 -1.21 0.00 0.00 0.00 175.76 173.85 1soq s GLU 110 N 1.62 3.88 -0.02 0.00 2.02 -0.60 0.13 118.70 125.74 1soq s GLU 110 Ca -0.01 -0.37 0.05 0.00 0.02 0.00 0.00 54.97 54.66 1soq s GLU 110 Cb -0.16 -3.39 -0.03 0.00 0.10 0.00 0.00 34.13 30.65 1soq s GLU 110 CO -0.07 -0.01 -0.18 -0.51 0.02 0.00 0.00 175.26 174.52 1soq s LEU 111 N 1.17 2.56 0.05 1.80 1.43 0.01 -1.44 118.68 124.27 1soq s LEU 111 Ca 0.06 -0.30 -0.02 0.00 -1.03 0.00 0.00 54.13 52.84 1soq s LEU 111 Cb -0.14 -1.50 -0.04 0.00 0.03 0.00 0.00 46.19 44.54 1soq s LEU 111 CO 0.04 0.32 -0.00 -0.44 0.23 0.00 0.00 176.35 176.50 1soq s SER 112 N -0.85 0.44 0.31 2.29 0.01 0.11 -0.91 113.70 115.10 1soq s SER 112 Ca 0.12 -0.95 0.05 0.00 1.31 0.00 0.00 55.95 56.48 1soq s SER 112 Cb -0.10 0.21 0.70 0.00 0.21 0.00 0.00 66.02 67.04 1soq s SER 112 CO 0.01 -0.61 1.82 -0.65 0.41 0.00 0.00 173.24 174.22 1soq h PRO 113 N 3.13 0.80 -0.05 12.44 0.11 -1.99 -2.76 132.00 143.68 1soq h PRO 113 Ca -0.34 -0.05 -0.02 0.00 0.11 0.00 0.00 66.00 65.70 1soq h PRO 113 Cb 1.15 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 32.06 1soq h PRO 113 CO 0.64 0.53 -0.35 0.66 -0.21 0.00 0.00 178.00 179.28 1soq n TYR 114 N -4.67 0.16 -3.64 0.65 4.02 -1.26 -0.94 117.16 111.48 1soq n TYR 114 Ca 0.21 -1.41 -0.08 0.00 -0.01 0.00 0.00 57.90 56.61 1soq n TYR 114 Cb 0.48 -0.26 -0.07 0.00 -0.02 0.00 0.00 39.34 39.47 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 -3.06 -0.47 -0.09 7.72 0.15 -1.04 -4.97 113.70 111.94 1soq s SER 115 Ca 0.38 0.87 -0.08 0.00 0.70 0.00 0.00 55.95 57.82 1soq s SER 115 Cb 0.36 0.96 0.02 0.00 -1.71 0.00 0.00 66.02 65.65 1soq s SER 115 CO -0.04 -0.15 0.23 -0.72 1.20 0.00 0.00 173.24 173.76 1soq s TYR 116 N 0.49 -0.25 0.18 3.44 -0.85 -1.26 0.09 117.35 119.18 1soq s TYR 116 Ca 0.00 0.61 0.09 0.00 -0.52 0.00 0.00 57.07 57.26 1soq s TYR 116 Cb -0.05 0.08 -0.04 0.00 0.38 0.00 0.00 41.96 42.33 1soq s TYR 116 CO -0.08 -0.12 -0.09 -1.54 -1.52 0.00 0.00 175.55 172.19 1soq s SER 117 N 0.16 4.26 -0.04 -0.18 1.04 -0.52 -4.98 113.70 113.44 1soq s SER 117 Ca -0.00 -0.57 0.02 0.00 0.48 0.00 0.00 55.95 55.88 1soq s SER 117 Cb -0.02 -0.72 0.01 0.00 0.10 0.00 0.00 66.02 65.39 1soq s SER 117 CO 0.00 0.11 -0.09 -0.89 0.98 0.00 0.00 173.24 173.35 1soq s THR 118 N -1.68 0.78 -0.02 2.02 2.01 -1.26 -1.55 115.64 115.94 1soq s THR 118 Ca 0.25 -0.33 0.03 0.00 0.31 0.00 0.00 61.69 61.95 1soq s THR 118 Cb -0.09 -0.72 -0.00 0.00 0.01 0.00 0.00 72.50 71.70 1soq s THR 118 CO 0.15 0.26 -0.10 -0.89 -0.69 0.00 0.00 174.62 173.35 1soq s THR 119 N 0.43 0.85 -0.08 -0.82 2.01 0.03 -4.98 115.64 113.08 1soq s THR 119 Ca -0.07 -0.42 0.03 0.00 0.31 0.00 0.00 61.69 61.54 1soq s THR 119 Cb -0.11 -0.74 -0.02 0.00 0.01 0.00 0.00 72.50 71.65 1soq s THR 119 CO 0.01 0.25 -0.18 0.00 -0.69 0.00 0.00 174.62 174.01 1soq s ALA 120 N 0.01 2.44 -0.21 7.40 0.00 -1.26 0.03 121.76 130.16 1soq s ALA 120 Ca -0.00 -0.98 -0.06 0.00 0.00 0.00 0.00 51.96 50.92 1soq s ALA 120 Cb -0.07 -0.92 -0.02 0.00 0.00 0.00 0.00 23.12 22.11 1soq s ALA 120 CO 0.00 0.40 0.02 0.08 0.00 0.00 0.00 175.76 176.26 1soq s VAL 121 N -0.14 4.03 -0.10 0.00 1.01 0.29 -4.98 120.40 120.51 1soq s VAL 121 Ca -0.02 -0.28 0.03 0.00 0.00 0.00 0.00 61.98 61.70 1soq s VAL 121 Cb -0.14 -2.84 0.01 0.00 0.00 0.00 0.00 36.38 33.41 1soq s VAL 121 CO 0.04 0.41 -0.19 -0.69 0.00 0.00 0.00 175.10 174.66 1soq s VAL 122 N 1.13 1.73 0.04 2.92 1.01 -1.26 -1.05 120.40 124.92 1soq s VAL 122 Ca 0.03 -0.81 -0.00 0.00 0.00 0.00 0.00 61.98 61.19 1soq s VAL 122 Cb -0.14 -1.53 -0.03 0.00 0.00 0.00 0.00 36.38 34.67 1soq s VAL 122 CO 0.02 0.49 -0.03 0.42 0.00 0.00 0.00 175.10 175.99 1soq s THR 123 N 0.61 0.22 0.00 3.92 -4.23 -0.60 -4.96 115.64 110.60 1soq s THR 123 Ca -0.14 -1.45 0.00 0.00 -1.18 0.00 0.00 61.69 58.92 1soq s THR 123 Cb -0.17 -1.03 0.00 0.00 1.34 0.00 0.00 72.50 72.65 1soq s THR 123 CO 0.04 -0.78 0.00 0.59 -0.54 0.00 0.00 174.62 173.93