#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kgt h PRO 11 N 0.00 0.00 -2.90 0.00 0.13 -1.88 -3.43 132.00 123.92 3kgt h PRO 11 Ca 0.00 0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 64.93 3kgt h PRO 11 Cb 0.00 0.00 -0.31 0.00 0.13 0.00 0.00 31.00 30.82 3kgt h PRO 11 CO 0.00 0.04 -0.50 -1.17 -0.23 0.00 0.00 178.00 176.14 3kgt s LEU 12 N -6.31 -0.04 0.02 1.56 2.96 -1.26 -0.90 118.68 114.71 3kgt s LEU 12 Ca 0.01 0.59 0.04 0.00 -0.22 0.00 0.00 54.13 54.56 3kgt s LEU 12 Cb 0.09 0.76 -0.02 0.00 0.50 0.00 0.00 46.19 47.53 3kgt s LEU 12 CO 0.57 -0.21 -0.12 -0.32 -1.32 0.00 0.00 176.35 174.95 3kgt s MET 13 N 1.96 0.85 -0.07 1.98 -2.45 0.15 -4.26 119.30 117.46 3kgt s MET 13 Ca -0.03 -0.60 0.05 0.00 -1.25 0.00 0.00 55.69 53.86 3kgt s MET 13 Cb -0.11 -0.82 -0.01 0.00 1.25 0.00 0.00 34.83 35.13 3kgt s MET 13 CO -0.09 0.21 -0.23 0.08 1.05 0.00 0.00 175.02 176.04 3kgt s VAL 14 N -0.66 2.23 -0.07 10.11 1.01 -0.72 -1.08 120.40 131.22 3kgt s VAL 14 Ca 0.01 -0.99 0.04 0.00 0.00 0.00 0.00 61.98 61.04 3kgt s VAL 14 Cb -0.06 -1.83 -0.00 0.00 0.00 0.00 0.00 36.38 34.48 3kgt s VAL 14 CO 0.01 0.57 -0.20 -0.75 0.00 0.00 0.00 175.10 174.72 3kgt s LYS 15 N -0.05 2.31 -0.07 2.72 2.20 0.41 -0.14 119.74 127.12 3kgt s LYS 15 Ca -0.07 -0.71 0.04 0.00 -0.36 0.00 0.00 55.97 54.87 3kgt s LYS 15 Cb -0.15 -1.88 -0.00 0.00 -1.51 0.00 0.00 37.83 34.30 3kgt s LYS 15 CO 0.05 0.21 -0.20 0.08 -0.36 0.00 0.00 175.35 175.13 3kgt s VAL 16 N 0.21 1.70 0.16 4.02 1.01 0.55 -0.47 120.40 127.58 3kgt s VAL 16 Ca -0.11 -0.84 0.11 0.00 0.00 0.00 0.00 61.98 61.15 3kgt s VAL 16 Cb -0.15 -1.47 -0.04 0.00 0.00 0.00 0.00 36.38 34.72 3kgt s VAL 16 CO 0.05 0.48 -0.26 -0.76 0.00 0.00 0.00 175.10 174.61 3kgt s LEU 17 N 0.22 2.37 -0.31 3.92 2.01 0.32 -1.43 118.68 125.78 3kgt s LEU 17 Ca -0.11 -0.80 -0.06 0.00 0.01 0.00 0.00 54.13 53.16 3kgt s LEU 17 Cb -0.15 -1.19 0.02 0.00 0.01 0.00 0.00 46.19 44.88 3kgt s LEU 17 CO 0.05 0.15 0.08 -0.62 1.01 0.00 0.00 176.35 177.03 3kgt s ASP 18 N -2.33 5.17 0.00 2.29 -1.08 0.37 -0.82 116.67 120.26 3kgt s ASP 18 Ca 0.17 -0.88 0.29 0.00 -0.52 0.00 0.00 52.55 51.61 3kgt s ASP 18 Cb -0.09 -1.87 1.20 0.00 -1.46 0.00 0.00 42.92 40.70 3kgt s ASP 18 CO 0.08 -0.24 1.89 0.00 0.52 0.00 0.00 175.17 177.42 3kgt n ALA 19 N 4.84 2.48 -0.05 3.66 0.00 0.08 -0.96 120.51 130.57 3kgt n ALA 19 Ca -0.14 -0.13 -0.21 0.00 0.00 0.00 0.00 53.44 52.96 3kgt n ALA 19 Cb 0.47 -1.43 -0.13 0.00 0.00 0.00 0.00 19.45 18.35 3kgt n ALA 19 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3kgt h VAL 20 N 0.02 1.03 0.00 0.00 2.07 -1.94 -3.39 116.25 114.03 3kgt h VAL 20 Ca 0.00 -2.30 0.00 0.00 0.82 0.00 0.00 66.70 65.22 3kgt h VAL 20 Cb 0.47 2.58 0.00 0.00 -1.52 0.00 0.00 31.29 32.82 3kgt h VAL 20 CO 0.00 0.56 -1.09 0.54 0.02 0.00 0.00 177.57 177.60 3kgt n ARG 21 N -4.16 0.40 -2.75 1.57 1.74 -1.25 -5.00 116.66 107.22 3kgt n ARG 21 Ca -0.27 0.01 -0.09 0.00 -0.77 0.00 0.00 57.85 56.73 3kgt n ARG 21 Cb 0.78 -1.65 0.05 0.00 -1.02 0.00 0.00 32.46 30.62 3kgt n ARG 21 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3kgt n GLY 22 N 1.31 0.00 3.38 -0.13 0.00 -0.13 -5.04 105.19 104.59 3kgt n GLY 22 Ca 0.01 -0.16 -0.10 0.00 0.00 0.00 0.00 46.02 45.78 3kgt n GLY 22 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3kgt s SER 23 N -3.71 -0.01 0.49 1.61 1.04 -1.03 -5.00 113.70 107.09 3kgt s SER 23 Ca 0.01 -0.81 -0.23 0.00 0.48 0.00 0.00 55.95 55.40 3kgt s SER 23 Cb -0.00 0.47 -0.07 0.00 0.10 0.00 0.00 66.02 66.51 3kgt s SER 23 CO 0.39 -0.93 1.27 -0.81 0.98 0.00 0.00 173.24 174.14 3kgt n PRO 24 N -0.24 1.73 -2.93 4.02 -0.04 -1.26 -0.48 135.00 135.79 3kgt n PRO 24 Ca -0.08 0.63 -0.43 0.00 -0.04 0.00 0.00 63.50 63.58 3kgt n PRO 24 Cb 0.63 -2.44 -0.05 0.00 -0.04 0.00 0.00 33.50 31.60 3kgt n PRO 24 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3kgt s ALA 25 N -1.27 3.22 0.15 0.55 0.00 -0.51 -4.61 121.76 119.29 3kgt s ALA 25 Ca 0.67 -1.45 -0.04 0.00 0.00 0.00 0.00 51.96 51.14 3kgt s ALA 25 Cb -0.46 -3.63 -0.05 0.00 0.00 0.00 0.00 23.12 18.97 3kgt s ALA 25 CO 0.53 -2.31 0.37 0.96 0.00 0.00 0.00 175.76 175.31 3kgt s ILE 26 N 3.57 5.18 -1.48 0.00 -4.36 -1.26 -4.32 121.20 118.53 3kgt s ILE 26 Ca 0.25 -0.05 -0.01 0.00 -0.26 0.00 0.00 60.65 60.58 3kgt s ILE 26 Cb -0.15 -3.64 0.00 0.00 1.25 0.00 0.00 42.46 39.92 3kgt s ILE 26 CO 0.16 0.01 0.15 0.59 0.24 0.00 0.00 174.94 176.09 3kgt n ASN 27 N -0.02 -5.30 -4.65 4.36 5.03 -0.70 -4.95 115.26 109.04 3kgt n ASN 27 Ca -0.03 -0.08 -0.41 0.00 0.87 0.00 0.00 54.58 54.94 3kgt n ASN 27 Cb 0.52 -4.30 -0.06 0.00 -1.02 0.00 0.00 39.78 34.92 3kgt n ASN 27 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 3kgt s VAL 28 N -2.95 4.98 0.22 2.41 1.01 -1.26 -4.76 120.40 120.05 3kgt s VAL 28 Ca 0.07 1.26 -0.26 0.00 0.00 0.00 0.00 61.98 63.05 3kgt s VAL 28 Cb -0.03 -3.98 -0.09 0.00 0.00 0.00 0.00 36.38 32.28 3kgt s VAL 28 CO 0.09 0.06 0.85 0.00 0.00 0.00 0.00 175.10 176.10 3kgt s ALA 29 N 2.18 3.37 0.00 5.51 0.00 -1.26 -1.09 121.76 130.47 3kgt s ALA 29 Ca 0.30 0.44 -0.09 0.00 0.00 0.00 0.00 51.96 52.61 3kgt s ALA 29 Cb -0.16 -3.05 0.01 0.00 0.00 0.00 0.00 23.12 19.92 3kgt s ALA 29 CO 0.10 0.25 0.19 0.00 0.00 0.00 0.00 175.76 176.30 3kgt s MET 30 N -1.40 0.56 0.07 0.00 0.23 -0.44 -0.32 119.30 118.01 3kgt s MET 30 Ca 0.40 -0.39 0.08 0.00 -1.03 0.00 0.00 55.69 54.76 3kgt s MET 30 Cb -0.23 0.24 -0.04 0.00 -1.53 0.00 0.00 34.83 33.28 3kgt s MET 30 CO 0.27 -0.14 -0.20 -1.01 -2.03 0.00 0.00 175.02 171.91 3kgt s HIS 31 N -1.55 2.51 -0.12 3.16 3.76 -0.56 -2.25 115.29 120.23 3kgt s HIS 31 Ca -0.13 -0.28 -0.00 0.00 -0.15 0.00 0.00 55.06 54.49 3kgt s HIS 31 Cb -0.06 -1.40 -0.02 0.00 1.11 0.00 0.00 32.58 32.21 3kgt s HIS 31 CO 0.01 0.29 -0.11 0.08 -0.85 0.00 0.00 174.74 174.17 3kgt s VAL 32 N -1.00 3.30 0.09 -0.90 1.01 0.23 -0.37 120.40 122.76 3kgt s VAL 32 Ca 0.15 -0.59 0.10 0.00 0.00 0.00 0.00 61.98 61.64 3kgt s VAL 32 Cb -0.10 -2.38 -0.03 0.00 0.00 0.00 0.00 36.38 33.86 3kgt s VAL 32 CO 0.07 0.53 -0.25 -0.36 0.00 0.00 0.00 175.10 175.09 3kgt s PHE 33 N 0.09 2.17 -0.08 5.22 0.08 0.13 -0.09 117.98 125.49 3kgt s PHE 33 Ca -0.04 -0.39 0.02 0.00 0.12 0.00 0.00 56.93 56.63 3kgt s PHE 33 Cb -0.14 -1.23 -0.02 0.00 -0.57 0.00 0.00 43.02 41.06 3kgt s PHE 33 CO 0.04 0.22 -0.12 0.50 -0.10 0.00 0.00 175.22 175.77 3kgt s ARG 34 N -1.68 2.85 -0.10 0.44 3.52 0.12 -0.46 118.95 123.63 3kgt s ARG 34 Ca 0.11 -0.65 -0.30 0.00 -0.13 0.00 0.00 55.73 54.77 3kgt s ARG 34 Cb -0.10 -2.52 -0.03 0.00 -1.56 0.00 0.00 34.95 30.74 3kgt s ARG 34 CO 0.04 0.51 1.41 0.21 -0.81 0.00 0.00 175.30 176.66 3kgt s LYS 35 N -0.42 4.23 0.57 5.12 2.20 0.27 -1.53 119.74 130.18 3kgt s LYS 35 Ca 0.05 1.88 -0.06 0.00 -0.36 0.00 0.00 55.97 57.47 3kgt s LYS 35 Cb -0.12 -3.80 -0.01 0.00 -1.51 0.00 0.00 37.83 32.39 3kgt s LYS 35 CO 0.02 -0.72 0.89 0.00 -0.36 0.00 0.00 175.35 175.18 3kgt s ALA 36 N 3.45 3.29 0.40 3.13 0.00 0.15 -4.74 121.76 127.44 3kgt s ALA 36 Ca 0.62 -0.56 0.14 0.00 0.00 0.00 0.00 51.96 52.16 3kgt s ALA 36 Cb -0.27 -2.67 0.98 0.00 0.00 0.00 0.00 23.12 21.16 3kgt s ALA 36 CO 0.21 -0.67 1.89 0.00 0.00 0.00 0.00 175.76 177.19 3kgt h ALA 37 N -0.09 2.03 -0.07 0.00 0.00 -1.95 -0.83 119.26 118.35 3kgt h ALA 37 Ca -0.46 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.46 3kgt h ALA 37 Cb 1.23 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.95 3kgt h ALA 37 CO 0.61 -0.27 0.00 -0.40 0.00 0.00 0.00 179.25 179.20 3kgt n ASP 38 N -4.51 1.28 0.00 0.00 5.68 -1.26 -4.87 116.55 112.86 3kgt n ASP 38 Ca 0.16 -2.08 0.00 0.00 -0.50 0.00 0.00 54.79 52.37 3kgt n ASP 38 Cb 0.54 -0.42 0.00 0.00 -1.14 0.00 0.00 41.12 40.10 3kgt n ASP 38 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 3kgt n ASP 39 N -0.00 -1.00 -4.95 -1.12 8.00 -0.32 -5.01 116.55 112.15 3kgt n ASP 39 Ca 0.03 0.00 -0.23 0.00 0.71 0.00 0.00 54.79 55.30 3kgt n ASP 39 Cb 0.29 -0.75 0.00 0.00 -0.02 0.00 0.00 41.12 40.64 3kgt n ASP 39 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 3kgt s THR 40 N -2.88 4.39 -0.32 -3.53 -4.23 -1.25 -4.84 115.64 102.97 3kgt s THR 40 Ca 0.00 -0.53 -0.14 0.00 -1.18 0.00 0.00 61.69 59.85 3kgt s THR 40 Cb 0.00 -3.61 -0.02 0.00 1.34 0.00 0.00 72.50 70.21 3kgt s THR 40 CO 0.00 -0.40 0.30 0.26 -0.54 0.00 0.00 174.62 174.24 3kgt s TRP 41 N -2.44 3.22 -0.17 3.99 0.52 -1.26 -0.67 118.94 122.13 3kgt s TRP 41 Ca 0.45 -0.01 -0.12 0.00 0.02 0.00 0.00 56.10 56.45 3kgt s TRP 41 Cb -0.10 -2.56 -0.05 0.00 -1.15 0.00 0.00 33.47 29.62 3kgt s TRP 41 CO 0.37 -0.34 0.23 -1.83 0.02 0.00 0.00 176.95 175.39 3kgt s GLU 42 N 1.90 4.17 0.35 4.98 -1.05 -0.58 -4.91 118.70 123.55 3kgt s GLU 42 Ca 0.10 -0.02 -0.27 0.00 -0.15 0.00 0.00 54.97 54.62 3kgt s GLU 42 Cb -0.17 -3.40 -0.12 0.00 -0.44 0.00 0.00 34.13 30.00 3kgt s GLU 42 CO 0.11 0.31 1.19 -2.30 0.95 0.00 0.00 175.26 175.52 3kgt n PRO 43 N 3.39 1.83 0.00 -4.83 -0.02 -1.26 -0.70 135.00 133.40 3kgt n PRO 43 Ca -0.14 0.64 0.00 0.00 -2.02 0.00 0.00 63.50 61.98 3kgt n PRO 43 Cb 0.52 -2.19 0.00 0.00 -0.02 0.00 0.00 33.50 31.81 3kgt n PRO 43 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 3kgt n PHE 44 N 0.12 0.00 -3.68 6.00 7.35 0.87 -4.78 117.46 123.33 3kgt n PHE 44 Ca 0.07 0.00 -0.04 0.00 -0.76 0.00 0.00 57.45 56.71 3kgt n PHE 44 Cb 0.36 0.06 -0.01 0.00 0.35 0.00 0.00 39.48 40.24 3kgt n PHE 44 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3kgt s ALA 45 N -1.70 -1.74 0.18 3.13 0.00 -0.99 -5.01 121.76 115.64 3kgt s ALA 45 Ca 0.00 0.38 -0.23 0.00 0.00 0.00 0.00 51.96 52.11 3kgt s ALA 45 Cb 0.00 0.56 0.07 0.00 0.00 0.00 0.00 23.12 23.75 3kgt s ALA 45 CO 0.00 -0.96 0.98 -1.54 0.00 0.00 0.00 175.76 174.24 3kgt s SER 46 N -2.83 -0.09 0.00 0.00 1.04 -1.26 0.74 113.70 111.30 3kgt s SER 46 Ca 0.11 -0.57 0.00 0.00 0.48 0.00 0.00 55.95 55.96 3kgt s SER 46 Cb -0.01 0.52 0.00 0.00 0.10 0.00 0.00 66.02 66.63 3kgt s SER 46 CO -0.01 -1.00 0.00 0.61 0.98 0.00 0.00 173.24 173.82 3kgt n GLY 47 N -0.57 -1.49 3.23 7.32 0.00 -0.95 -4.96 105.19 107.77 3kgt n GLY 47 Ca -0.05 -1.03 -0.24 0.00 0.00 0.00 0.00 46.02 44.71 3kgt n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kgt s LYS 48 N -1.25 1.22 0.48 1.61 1.02 -1.26 -1.33 119.74 120.22 3kgt s LYS 48 Ca 0.00 -0.92 -0.23 0.00 0.02 0.00 0.00 55.97 54.84 3kgt s LYS 48 Cb 0.00 -1.32 -0.07 0.00 -0.52 0.00 0.00 37.83 35.92 3kgt s LYS 48 CO 0.00 0.33 1.22 0.95 -0.92 0.00 0.00 175.35 176.93 3kgt s THR 49 N -0.87 2.83 0.20 2.17 -4.23 -0.25 -4.73 115.64 110.75 3kgt s THR 49 Ca 0.06 0.63 -0.03 0.00 -1.18 0.00 0.00 61.69 61.16 3kgt s THR 49 Cb -0.09 -3.32 0.05 0.00 1.34 0.00 0.00 72.50 70.48 3kgt s THR 49 CO 0.02 -0.00 0.26 -1.54 -0.54 0.00 0.00 174.62 172.82 3kgt n SER 50 N -0.58 -0.11 0.29 3.99 3.41 0.14 -1.72 113.62 119.04 3kgt n SER 50 Ca 0.08 -1.05 0.15 0.00 -0.26 0.00 0.00 58.87 57.79 3kgt n SER 50 Cb 0.47 -0.20 0.85 0.00 -0.26 0.00 0.00 64.21 65.07 3kgt n SER 50 CO 0.00 0.00 0.00 1.05 -0.16 0.00 0.00 175.04 175.93 3kgt h GLU 51 N 0.00 0.00 -0.26 4.33 4.11 -1.94 -0.33 114.58 120.48 3kgt h GLU 51 Ca -0.08 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.35 3kgt h GLU 51 Cb 0.24 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.49 3kgt h GLU 51 CO 0.06 0.06 0.00 -1.13 0.07 0.00 0.00 179.01 178.06 3kgt n SER 52 N -3.65 1.91 -0.39 3.06 3.41 -1.26 -4.74 113.62 111.96 3kgt n SER 52 Ca -0.02 -1.83 -0.05 0.00 -0.26 0.00 0.00 58.87 56.71 3kgt n SER 52 Cb 0.16 -0.17 -0.02 0.00 -0.26 0.00 0.00 64.21 63.92 3kgt n SER 52 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3kgt n GLY 53 N 1.15 0.76 3.53 5.00 0.00 -0.14 -4.80 105.19 110.70 3kgt n GLY 53 Ca 0.15 -0.63 -0.31 0.00 0.00 0.00 0.00 46.02 45.23 3kgt n GLY 53 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3kgt s GLU 54 N -2.17 2.19 -0.20 1.61 2.02 -1.26 -0.33 118.70 120.56 3kgt s GLU 54 Ca 0.00 -0.95 0.00 0.00 0.02 0.00 0.00 54.97 54.05 3kgt s GLU 54 Cb 0.00 -2.30 0.05 0.00 0.10 0.00 0.00 34.13 31.98 3kgt s GLU 54 CO 0.00 0.54 -0.08 -1.17 0.02 0.00 0.00 175.26 174.57 3kgt s LEU 55 N -1.74 2.14 0.32 1.80 2.96 0.80 -0.68 118.68 124.29 3kgt s LEU 55 Ca 0.18 -0.88 0.08 0.00 -0.22 0.00 0.00 54.13 53.30 3kgt s LEU 55 Cb -0.11 -1.14 -0.04 0.00 0.50 0.00 0.00 46.19 45.40 3kgt s LEU 55 CO 0.09 -0.17 0.13 -1.00 -1.32 0.00 0.00 176.35 174.08 3kgt s HIS 56 N 1.46 2.74 -0.75 5.38 3.76 -1.26 -1.75 115.29 124.87 3kgt s HIS 56 Ca -0.01 -0.33 0.00 0.00 -0.15 0.00 0.00 55.06 54.57 3kgt s HIS 56 Cb -0.16 -1.55 0.00 0.00 1.11 0.00 0.00 32.58 31.98 3kgt s HIS 56 CO -0.08 0.39 0.00 0.41 -0.85 0.00 0.00 174.74 174.62 3kgt n GLY 57 N -1.12 0.52 0.20 -2.22 0.00 -1.26 -4.92 105.19 96.40 3kgt n GLY 57 Ca -0.04 -0.63 0.04 0.00 0.00 0.00 0.00 46.02 45.39 3kgt n GLY 57 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3kgt h LEU 58 N 0.00 0.00 -8.18 0.99 3.38 -1.87 -3.47 115.31 106.16 3kgt h LEU 58 Ca -0.17 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.74 3kgt h LEU 58 Cb 0.82 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.51 3kgt h LEU 58 CO 0.23 0.31 0.05 0.28 0.09 0.00 0.00 178.44 179.40 3kgt s THR 59 N -4.33 0.00 0.38 0.22 -1.32 -1.26 -4.78 115.64 104.56 3kgt s THR 59 Ca -0.03 -1.24 0.08 0.00 -1.21 0.00 0.00 61.69 59.28 3kgt s THR 59 Cb 0.15 -2.44 -0.07 0.00 -1.51 0.00 0.00 72.50 68.62 3kgt s THR 59 CO 0.71 0.00 -0.02 0.42 -2.21 0.00 0.00 174.62 173.52 3kgt s THR 60 N -3.31 2.03 0.34 5.08 -4.23 -1.26 -4.52 115.64 109.77 3kgt s THR 60 Ca 0.20 -2.07 0.02 0.00 -1.18 0.00 0.00 61.69 58.65 3kgt s THR 60 Cb -0.03 -2.86 0.25 0.00 1.34 0.00 0.00 72.50 71.20 3kgt s THR 60 CO 0.12 -0.07 1.99 -0.33 -0.54 0.00 0.00 174.62 175.78 3kgt h GLU 61 N 1.88 0.84 -0.25 3.99 4.39 -1.98 0.14 114.58 123.58 3kgt h GLU 61 Ca -0.43 -0.06 -0.16 0.00 0.34 0.00 0.00 59.36 59.04 3kgt h GLU 61 Cb 1.24 -0.18 -0.01 0.00 -0.10 0.00 0.00 28.75 29.71 3kgt h GLU 61 CO 0.77 0.58 -0.50 0.93 -1.16 0.00 0.00 179.01 179.63 3kgt h GLU 62 N 0.86 0.69 0.06 2.33 3.07 -2.04 -3.22 114.58 116.33 3kgt h GLU 62 Ca 0.23 -0.41 -0.24 0.00 -0.50 0.00 0.00 59.36 58.44 3kgt h GLU 62 Cb -0.06 0.04 -0.01 0.00 -0.84 0.00 0.00 28.75 27.88 3kgt h GLU 62 CO -0.05 1.03 -1.10 0.93 -1.40 0.00 0.00 179.01 178.42 3kgt h GLU 63 N 0.54 0.15 -4.85 2.33 5.08 -1.90 -3.40 114.58 112.53 3kgt h GLU 63 Ca 0.02 -0.24 -0.70 0.00 -1.00 0.00 0.00 59.36 57.44 3kgt h GLU 63 Cb 1.05 0.09 -0.07 0.00 0.50 0.00 0.00 28.75 30.32 3kgt h GLU 63 CO 0.10 1.10 2.58 0.34 -1.00 0.00 0.00 179.01 182.13 3kgt n PHE 64 N -3.47 4.09 -2.52 4.33 7.35 0.01 -4.95 117.46 122.29 3kgt n PHE 64 Ca -0.04 -2.92 -0.24 0.00 -0.76 0.00 0.00 57.45 53.48 3kgt n PHE 64 Cb 0.96 -2.55 0.04 0.00 0.35 0.00 0.00 39.48 38.28 3kgt n PHE 64 CO 0.00 0.00 0.00 0.14 -0.76 0.00 0.00 176.76 176.14 3kgt s VAL 65 N 3.46 3.19 0.48 -2.13 -7.23 -1.26 -4.92 120.40 111.98 3kgt s VAL 65 Ca 0.50 -0.30 -0.22 0.00 -1.81 0.00 0.00 61.98 60.14 3kgt s VAL 65 Cb 0.08 -3.26 -0.09 0.00 0.56 0.00 0.00 36.38 33.68 3kgt s VAL 65 CO -0.00 -0.23 1.01 -0.62 -0.31 0.00 0.00 175.10 174.95 3kgt n GLU 66 N -2.51 1.26 0.00 4.82 1.02 -1.26 -4.90 120.64 119.08 3kgt n GLU 66 Ca 0.05 0.46 0.00 0.00 -0.02 0.00 0.00 57.16 57.66 3kgt n GLU 66 Cb 0.59 -2.12 0.00 0.00 -0.02 0.00 0.00 31.44 29.89 3kgt n GLU 66 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3kgt n GLY 67 N 1.19 -0.07 3.71 0.62 0.00 -1.18 -4.99 105.19 104.46 3kgt n GLY 67 Ca 0.10 -1.25 -0.36 0.00 0.00 0.00 0.00 46.02 44.52 3kgt n GLY 67 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kgt s ILE 68 N -2.00 5.38 0.09 -0.61 1.01 -1.26 -0.90 121.20 122.91 3kgt s ILE 68 Ca 0.00 0.23 0.10 0.00 0.00 0.00 0.00 60.65 60.98 3kgt s ILE 68 Cb 0.00 -3.50 -0.04 0.00 0.01 0.00 0.00 42.46 38.94 3kgt s ILE 68 CO 0.00 0.41 -0.26 -0.31 0.00 0.00 0.00 174.94 174.78 3kgt s TYR 69 N 0.58 2.34 -0.10 3.97 1.51 0.57 -0.56 117.35 125.66 3kgt s TYR 69 Ca 0.09 -0.38 0.02 0.00 -1.01 0.00 0.00 57.07 55.79 3kgt s TYR 69 Cb -0.12 -1.32 0.01 0.00 -0.11 0.00 0.00 41.96 40.42 3kgt s TYR 69 CO 0.00 0.25 -0.17 0.21 -1.11 0.00 0.00 175.55 174.74 3kgt s LYS 70 N -1.71 2.33 -0.31 -0.62 2.20 0.39 -1.29 119.74 120.72 3kgt s LYS 70 Ca 0.13 -0.62 -0.08 0.00 -0.36 0.00 0.00 55.97 55.05 3kgt s LYS 70 Cb -0.10 -1.89 0.01 0.00 -1.51 0.00 0.00 37.83 34.34 3kgt s LYS 70 CO 0.05 0.02 0.12 0.08 -0.36 0.00 0.00 175.35 175.26 3kgt s VAL 71 N 0.73 4.23 -0.40 4.02 1.01 0.84 0.21 120.40 131.04 3kgt s VAL 71 Ca -0.12 -0.66 -0.12 0.00 0.00 0.00 0.00 61.98 61.09 3kgt s VAL 71 Cb -0.16 -3.21 0.04 0.00 0.00 0.00 0.00 36.38 33.05 3kgt s VAL 71 CO 0.02 0.02 0.25 -0.70 0.00 0.00 0.00 175.10 174.70 3kgt s GLU 72 N 1.54 2.84 -0.27 2.72 2.12 0.50 -0.19 118.70 127.96 3kgt s GLU 72 Ca 0.03 -1.14 -0.12 0.00 0.36 0.00 0.00 54.97 54.09 3kgt s GLU 72 Cb -0.18 -3.84 -0.05 0.00 0.26 0.00 0.00 34.13 30.33 3kgt s GLU 72 CO 0.04 -0.78 0.25 0.42 -0.54 0.00 0.00 175.26 174.66 3kgt s ILE 73 N 1.58 5.27 -1.29 -3.70 1.01 0.18 -1.50 121.20 122.74 3kgt s ILE 73 Ca 0.03 0.31 -0.18 0.00 0.00 0.00 0.00 60.65 60.81 3kgt s ILE 73 Cb -0.20 -3.59 0.03 0.00 0.01 0.00 0.00 42.46 38.71 3kgt s ILE 73 CO 0.07 0.22 1.88 -0.67 0.00 0.00 0.00 174.94 176.44 3kgt n ASP 74 N 5.11 4.34 0.11 3.58 -0.08 0.57 -1.28 116.55 128.90 3kgt n ASP 74 Ca -0.12 -2.86 -0.04 0.00 -1.51 0.00 0.00 54.79 50.26 3kgt n ASP 74 Cb 0.52 -1.70 0.10 0.00 2.34 0.00 0.00 41.12 42.38 3kgt n ASP 74 CO 0.00 0.00 0.00 0.71 0.12 0.00 0.00 177.20 178.03 3kgt h THR 75 N 5.27 1.48 -0.09 5.18 1.35 -1.85 -3.21 112.91 121.04 3kgt h THR 75 Ca 0.44 -2.33 -0.00 0.00 -0.55 0.00 0.00 66.41 63.97 3kgt h THR 75 Cb 0.82 2.25 -0.00 0.00 -1.73 0.00 0.00 68.15 69.49 3kgt h THR 75 CO 1.54 0.67 0.05 0.50 -0.25 0.00 0.00 175.52 178.03 3kgt h LYS 76 N 0.05 0.13 -0.61 4.72 3.64 -1.74 -1.56 116.57 121.19 3kgt h LYS 76 Ca -0.01 -0.02 0.04 0.00 -1.27 0.00 0.00 60.65 59.39 3kgt h LYS 76 Cb 1.24 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 33.00 3kgt h LYS 76 CO 0.10 0.17 0.40 0.77 -2.27 0.00 0.00 179.45 178.62 3kgt h SER 77 N 0.05 0.60 -0.01 4.20 0.02 -1.87 -0.68 113.55 115.86 3kgt h SER 77 Ca 0.03 -0.01 -0.00 0.00 -0.84 0.00 0.00 61.79 60.97 3kgt h SER 77 Cb 0.08 -0.14 -0.00 0.00 0.14 0.00 0.00 62.40 62.49 3kgt h SER 77 CO -0.00 0.41 0.00 0.22 -1.14 0.00 0.00 176.83 176.32 3kgt h TYR 78 N 0.70 0.02 -0.39 3.45 3.20 -1.43 -1.80 116.97 120.71 3kgt h TYR 78 Ca 0.25 -0.00 -0.09 0.00 3.14 0.00 0.00 58.73 62.03 3kgt h TYR 78 Cb 0.11 -0.00 -0.02 0.00 1.54 0.00 0.00 36.73 38.36 3kgt h TYR 78 CO -0.00 0.19 -0.12 -1.49 -1.64 0.00 0.00 178.16 175.10 3kgt h TRP 79 N -0.17 0.77 -0.44 -3.82 4.06 -1.02 -2.96 115.95 112.37 3kgt h TRP 79 Ca 0.00 -0.14 0.03 0.00 2.06 0.00 0.00 58.89 60.85 3kgt h TRP 79 Cb 0.18 -0.20 -0.04 0.00 -1.00 0.00 0.00 29.16 28.11 3kgt h TRP 79 CO -0.01 0.79 0.23 0.87 -3.56 0.00 0.00 178.44 176.75 3kgt h LYS 80 N 0.64 0.44 0.00 0.49 1.57 -1.02 -1.64 116.57 117.05 3kgt h LYS 80 Ca 0.11 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.86 3kgt h LYS 80 Cb 0.58 -0.10 -0.00 0.00 0.08 0.00 0.00 32.23 32.79 3kgt h LYS 80 CO 0.04 0.29 -0.00 0.00 -0.57 0.00 0.00 179.45 179.21 3kgt h ALA 81 N 1.22 1.70 -0.00 3.86 0.00 -1.17 -1.47 119.26 123.41 3kgt h ALA 81 Ca 0.19 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.09 3kgt h ALA 81 Cb 0.08 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.87 3kgt h ALA 81 CO -0.12 0.00 -0.40 1.28 0.00 0.00 0.00 179.25 180.01 3kgt n LEU 82 N -4.11 0.50 -0.68 0.00 4.32 -0.73 -4.96 117.00 111.34 3kgt n LEU 82 Ca -0.03 0.03 -0.05 0.00 -0.02 0.00 0.00 56.01 55.94 3kgt n LEU 82 Cb 0.09 -0.26 0.00 0.00 -1.62 0.00 0.00 43.42 41.63 3kgt n LEU 82 CO 0.30 0.12 -0.05 0.61 -1.22 0.00 0.00 177.39 177.15 3kgt n GLY 83 N 1.47 0.23 3.15 -0.72 0.00 -0.55 -5.05 105.19 103.72 3kgt n GLY 83 Ca 0.07 -0.64 -0.30 0.00 0.00 0.00 0.00 46.02 45.15 3kgt n GLY 83 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kgt s ILE 84 N -2.38 1.77 -0.11 -0.61 1.01 -0.70 -5.04 121.20 115.14 3kgt s ILE 84 Ca 0.02 -0.85 -0.29 0.00 0.00 0.00 0.00 60.65 59.53 3kgt s ILE 84 Cb -0.01 -1.55 -0.04 0.00 0.01 0.00 0.00 42.46 40.87 3kgt s ILE 84 CO 0.03 0.49 1.61 -0.44 0.00 0.00 0.00 174.94 176.64 3kgt s SER 85 N 0.47 6.61 0.29 3.58 0.01 -1.26 -4.02 113.70 119.38 3kgt s SER 85 Ca -0.17 2.03 0.01 0.00 1.31 0.00 0.00 55.95 59.13 3kgt s SER 85 Cb -0.17 -2.53 -0.03 0.00 0.21 0.00 0.00 66.02 63.49 3kgt s SER 85 CO 0.07 -1.00 0.47 -2.16 0.41 0.00 0.00 173.24 171.02 3kgt s PRO 86 N 4.17 3.48 -0.16 12.44 0.04 -1.26 -4.79 135.00 148.92 3kgt s PRO 86 Ca 0.71 -0.45 -0.22 0.00 0.04 0.00 0.00 61.00 61.09 3kgt s PRO 86 Cb -0.30 -2.75 -0.23 0.00 0.04 0.00 0.00 34.50 31.26 3kgt s PRO 86 CO 0.28 0.27 0.45 0.35 0.04 0.00 0.00 177.00 178.38 3kgt h PHE 87 N 1.09 0.12 -3.62 0.56 3.57 -0.98 -3.48 116.94 114.19 3kgt h PHE 87 Ca -0.50 -0.09 -0.51 0.00 3.53 0.00 0.00 57.97 60.40 3kgt h PHE 87 Cb 1.22 -0.00 -0.03 0.00 2.79 0.00 0.00 35.95 39.92 3kgt h PHE 87 CO 0.50 1.38 0.08 -1.01 -2.23 0.00 0.00 178.31 177.03 3kgt s HIS 88 N -2.36 3.50 0.18 0.41 3.76 -1.26 -4.98 115.29 114.53 3kgt s HIS 88 Ca -0.24 1.25 -0.07 0.00 -0.15 0.00 0.00 55.06 55.85 3kgt s HIS 88 Cb 0.03 -2.54 0.07 0.00 1.11 0.00 0.00 32.58 31.26 3kgt s HIS 88 CO 0.66 0.22 1.55 0.93 -0.85 0.00 0.00 174.74 177.25 3kgt h GLU 89 N 2.80 0.84 -2.65 1.40 4.39 -1.98 -3.38 114.58 116.00 3kgt h GLU 89 Ca -0.48 -0.40 0.11 0.00 0.34 0.00 0.00 59.36 58.94 3kgt h GLU 89 Cb 1.18 -0.01 -0.04 0.00 -0.10 0.00 0.00 28.75 29.79 3kgt h GLU 89 CO 0.66 1.04 0.44 -3.38 -1.16 0.00 0.00 179.01 176.60 3kgt s HIS 90 N -4.47 0.00 -0.15 4.33 -3.43 -1.26 -3.77 115.29 106.55 3kgt s HIS 90 Ca -0.10 -0.46 -0.02 0.00 -0.80 0.00 0.00 55.06 53.68 3kgt s HIS 90 Cb 0.12 0.72 -0.02 0.00 -1.43 0.00 0.00 32.58 31.97 3kgt s HIS 90 CO 0.86 -1.10 -0.07 0.00 -2.00 0.00 0.00 174.74 172.43 3kgt s ALA 91 N -2.68 2.87 -0.15 -1.38 0.00 -0.40 -4.88 121.76 115.13 3kgt s ALA 91 Ca 0.17 -0.84 0.01 0.00 0.00 0.00 0.00 51.96 51.29 3kgt s ALA 91 Cb -0.03 -1.43 0.00 0.00 0.00 0.00 0.00 23.12 21.66 3kgt s ALA 91 CO 0.06 0.23 -0.16 -2.00 0.00 0.00 0.00 175.76 173.89 3kgt s GLU 92 N 0.34 3.18 -0.23 0.00 2.12 -1.26 0.51 118.70 123.36 3kgt s GLU 92 Ca -0.07 -0.77 -0.01 0.00 0.36 0.00 0.00 54.97 54.49 3kgt s GLU 92 Cb -0.15 -2.60 0.02 0.00 0.26 0.00 0.00 34.13 31.67 3kgt s GLU 92 CO 0.04 0.00 -0.10 0.08 -0.54 0.00 0.00 175.26 174.74 3kgt s VAL 93 N 0.84 2.64 -0.12 3.70 1.01 0.74 -4.96 120.40 124.25 3kgt s VAL 93 Ca -0.05 -1.02 0.03 0.00 0.00 0.00 0.00 61.98 60.94 3kgt s VAL 93 Cb -0.15 -2.29 0.01 0.00 0.00 0.00 0.00 36.38 33.94 3kgt s VAL 93 CO -0.01 0.28 -0.22 -0.69 0.00 0.00 0.00 175.10 174.46 3kgt s VAL 94 N 1.31 2.02 -0.01 2.92 1.01 -1.26 -0.11 120.40 126.28 3kgt s VAL 94 Ca 0.01 -0.98 -0.23 0.00 0.00 0.00 0.00 61.98 60.79 3kgt s VAL 94 Cb -0.16 -1.77 0.05 0.00 0.00 0.00 0.00 36.38 34.50 3kgt s VAL 94 CO -0.07 0.55 0.50 0.72 0.00 0.00 0.00 175.10 176.80 3kgt s PHE 95 N 0.63 -0.42 -0.13 5.22 -0.71 -0.41 -4.99 117.98 117.16 3kgt s PHE 95 Ca -0.12 0.63 -0.24 0.00 -1.04 0.00 0.00 56.93 56.16 3kgt s PHE 95 Cb -0.17 0.28 -0.02 0.00 -1.21 0.00 0.00 43.02 41.90 3kgt s PHE 95 CO 0.03 -0.55 0.76 0.99 -1.34 0.00 0.00 175.22 175.11 3kgt s THR 96 N -1.64 4.96 -0.20 -4.49 2.01 -1.26 -0.32 115.64 114.70 3kgt s THR 96 Ca -0.10 1.50 -0.19 0.00 0.31 0.00 0.00 61.69 63.21 3kgt s THR 96 Cb -0.02 -4.08 -0.03 0.00 0.01 0.00 0.00 72.50 68.39 3kgt s THR 96 CO 0.04 0.12 0.56 0.00 -0.69 0.00 0.00 174.62 174.65 3kgt s ALA 97 N 1.61 3.55 -0.39 7.40 0.00 -0.08 -4.99 121.76 128.86 3kgt s ALA 97 Ca 0.37 -0.37 0.10 0.00 0.00 0.00 0.00 51.96 52.05 3kgt s ALA 97 Cb -0.17 -2.87 0.39 0.00 0.00 0.00 0.00 23.12 20.47 3kgt s ALA 97 CO 0.15 -0.50 1.32 0.27 0.00 0.00 0.00 175.76 176.99 3kgt n ASN 98 N 4.94 -1.62 0.00 0.00 6.94 -1.26 -3.10 115.26 121.15 3kgt n ASN 98 Ca -0.03 -2.50 0.00 0.00 -0.02 0.00 0.00 54.58 52.03 3kgt n ASN 98 Cb 0.50 0.90 0.00 0.00 -2.36 0.00 0.00 39.78 38.82 3kgt n ASN 98 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 3kgt n ARG 103 N -0.54 0.00 -3.13 -3.83 3.00 -1.26 -5.04 116.66 105.87 3kgt n ARG 103 Ca -0.02 0.00 -0.40 0.00 -0.01 0.00 0.00 57.85 57.42 3kgt n ARG 103 Cb 0.85 0.00 -0.06 0.00 0.00 0.00 0.00 32.46 33.25 3kgt n ARG 103 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.63 178.66 3kgt s ARG 104 N -2.52 4.22 -0.20 5.56 0.52 -0.16 -4.82 118.95 121.56 3kgt s ARG 104 Ca 0.00 0.61 -0.03 0.00 -0.52 0.00 0.00 55.73 55.79 3kgt s ARG 104 Cb 0.00 -3.57 -0.01 0.00 0.52 0.00 0.00 34.95 31.89 3kgt s ARG 104 CO 0.00 -0.22 -0.06 0.71 0.02 0.00 0.00 175.30 175.76 3kgt s TYR 105 N 1.83 2.94 -0.22 -0.53 1.51 -0.08 -0.75 117.35 122.05 3kgt s TYR 105 Ca 0.29 -0.79 -0.03 0.00 -1.01 0.00 0.00 57.07 55.52 3kgt s TYR 105 Cb -0.16 -2.04 -0.00 0.00 -0.11 0.00 0.00 41.96 39.65 3kgt s TYR 105 CO 0.11 -0.41 -0.07 0.99 -1.11 0.00 0.00 175.55 175.05 3kgt s THR 106 N 1.12 3.15 -0.27 -0.71 2.01 -0.58 -0.67 115.64 119.69 3kgt s THR 106 Ca 0.01 -0.60 -0.10 0.00 0.31 0.00 0.00 61.69 61.31 3kgt s THR 106 Cb -0.15 -2.44 -0.05 0.00 0.01 0.00 0.00 72.50 69.88 3kgt s THR 106 CO -0.01 0.42 0.16 -0.63 -0.69 0.00 0.00 174.62 173.88 3kgt s ILE 107 N 1.44 5.13 -0.09 1.82 -1.09 -0.24 -0.38 121.20 127.79 3kgt s ILE 107 Ca 0.05 0.11 -0.00 0.00 -2.23 0.00 0.00 60.65 58.58 3kgt s ILE 107 Cb -0.14 -3.43 -0.03 0.00 -1.58 0.00 0.00 42.46 37.28 3kgt s ILE 107 CO -0.05 0.28 -0.06 0.00 -1.23 0.00 0.00 174.94 173.88 3kgt s ALA 108 N 1.65 2.99 -0.08 9.38 0.00 0.04 -0.45 121.76 135.30 3kgt s ALA 108 Ca 0.07 -0.87 0.02 0.00 0.00 0.00 0.00 51.96 51.18 3kgt s ALA 108 Cb -0.16 -1.30 0.01 0.00 0.00 0.00 0.00 23.12 21.68 3kgt s ALA 108 CO 0.09 0.50 -0.14 0.00 0.00 0.00 0.00 175.76 176.21 3kgt s ALA 109 N -0.58 1.48 -0.22 0.00 0.00 0.38 -1.31 121.76 121.50 3kgt s ALA 109 Ca 0.09 -0.56 -0.05 0.00 0.00 0.00 0.00 51.96 51.44 3kgt s ALA 109 Cb -0.12 -0.66 -0.02 0.00 0.00 0.00 0.00 23.12 22.32 3kgt s ALA 109 CO 0.02 0.09 0.01 -1.17 0.00 0.00 0.00 175.76 174.71 3kgt s LEU 110 N 0.71 3.19 -0.14 0.00 2.96 0.24 -0.52 118.68 125.12 3kgt s LEU 110 Ca -0.13 -0.27 -0.02 0.00 -0.22 0.00 0.00 54.13 53.48 3kgt s LEU 110 Cb -0.16 -1.83 -0.03 0.00 0.50 0.00 0.00 46.19 44.68 3kgt s LEU 110 CO 0.03 0.00 -0.06 -0.76 -1.32 0.00 0.00 176.35 174.24 3kgt s LEU 111 N 1.38 3.14 0.22 -0.68 1.43 -0.00 -1.60 118.68 122.57 3kgt s LEU 111 Ca 0.05 -0.15 0.06 0.00 -1.03 0.00 0.00 54.13 53.06 3kgt s LEU 111 Cb -0.15 -1.74 -0.05 0.00 0.03 0.00 0.00 46.19 44.29 3kgt s LEU 111 CO 0.01 0.20 -0.09 -0.44 0.23 0.00 0.00 176.35 176.26 3kgt s SER 112 N 0.18 2.35 0.24 2.29 0.01 0.54 -0.75 113.70 118.57 3kgt s SER 112 Ca -0.03 -1.10 -0.07 0.00 1.31 0.00 0.00 55.95 56.06 3kgt s SER 112 Cb -0.14 -0.10 0.27 0.00 0.21 0.00 0.00 66.02 66.27 3kgt s SER 112 CO 0.03 -0.30 1.88 -0.65 0.41 0.00 0.00 173.24 174.61 3kgt h PRO 113 N 2.51 1.06 -0.38 12.44 0.11 -1.98 -2.99 132.00 142.76 3kgt h PRO 113 Ca -0.38 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3kgt h PRO 113 Cb 1.22 -0.24 0.00 0.00 0.11 0.00 0.00 31.00 32.09 3kgt h PRO 113 CO 0.64 0.70 0.00 0.66 -0.21 0.00 0.00 178.00 179.79 3kgt n TYR 114 N -4.54 0.66 -3.65 0.65 4.02 -1.26 -0.26 117.16 112.78 3kgt n TYR 114 Ca 0.11 -0.58 -0.15 0.00 -0.01 0.00 0.00 57.90 57.28 3kgt n TYR 114 Cb 0.10 -0.09 -0.08 0.00 -0.02 0.00 0.00 39.34 39.25 3kgt n TYR 114 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 3kgt s SER 115 N -1.16 -0.55 0.03 7.72 0.15 -1.13 -4.93 113.70 113.82 3kgt s SER 115 Ca 0.30 0.86 -0.04 0.00 0.70 0.00 0.00 55.95 57.77 3kgt s SER 115 Cb 0.19 0.86 -0.01 0.00 -1.71 0.00 0.00 66.02 65.34 3kgt s SER 115 CO 0.16 -0.36 0.07 -0.72 1.20 0.00 0.00 173.24 173.60 3kgt s TYR 116 N -0.39 0.20 0.06 3.44 -0.85 -1.26 -0.34 117.35 118.21 3kgt s TYR 116 Ca -0.05 -0.47 0.08 0.00 -0.52 0.00 0.00 57.07 56.11 3kgt s TYR 116 Cb -0.03 -0.15 -0.03 0.00 0.38 0.00 0.00 41.96 42.13 3kgt s TYR 116 CO 0.04 -0.31 -0.21 -1.54 -1.52 0.00 0.00 175.55 172.01 3kgt s SER 117 N -1.86 2.53 -0.01 -0.18 1.04 -0.63 -4.98 113.70 109.60 3kgt s SER 117 Ca -0.09 -0.56 0.02 0.00 0.48 0.00 0.00 55.95 55.80 3kgt s SER 117 Cb -0.04 -0.20 -0.00 0.00 0.10 0.00 0.00 66.02 65.88 3kgt s SER 117 CO -0.03 0.15 -0.06 0.28 0.98 0.00 0.00 173.24 174.55 3kgt s THR 118 N -0.87 0.54 0.12 2.02 -1.32 -1.26 -0.59 115.64 114.28 3kgt s THR 118 Ca 0.08 -0.26 0.04 0.00 -1.21 0.00 0.00 61.69 60.34 3kgt s THR 118 Cb -0.09 -0.48 -0.04 0.00 -1.51 0.00 0.00 72.50 70.38 3kgt s THR 118 CO 0.02 0.17 -0.10 0.28 -2.21 0.00 0.00 174.62 172.78 3kgt s THR 119 N 0.03 1.08 -0.08 5.08 -1.32 -0.43 -4.99 115.64 115.01 3kgt s THR 119 Ca -0.00 -1.86 0.04 0.00 -1.21 0.00 0.00 61.69 58.66 3kgt s THR 119 Cb -0.05 -1.63 -0.01 0.00 -1.51 0.00 0.00 72.50 69.31 3kgt s THR 119 CO -0.00 -0.65 -0.22 0.00 -2.21 0.00 0.00 174.62 171.54 3kgt s ALA 120 N -2.90 2.29 -0.35 11.08 0.00 -1.26 -0.78 121.76 129.84 3kgt s ALA 120 Ca 0.11 -0.99 -0.03 0.00 0.00 0.00 0.00 51.96 51.06 3kgt s ALA 120 Cb -0.00 -0.84 0.07 0.00 0.00 0.00 0.00 23.12 22.35 3kgt s ALA 120 CO 0.00 0.35 0.10 0.08 0.00 0.00 0.00 175.76 176.30 3kgt s VAL 121 N 0.06 3.26 -0.30 0.00 1.01 0.48 -4.99 120.40 119.93 3kgt s VAL 121 Ca -0.09 -1.59 -0.08 0.00 0.00 0.00 0.00 61.98 60.22 3kgt s VAL 121 Cb -0.15 -3.01 0.00 0.00 0.00 0.00 0.00 36.38 33.22 3kgt s VAL 121 CO 0.06 -0.35 0.10 -0.69 0.00 0.00 0.00 175.10 174.22 3kgt s VAL 122 N 1.24 4.16 0.04 2.92 1.01 -1.26 -1.52 120.40 126.99 3kgt s VAL 122 Ca 0.01 -0.59 0.07 0.00 0.00 0.00 0.00 61.98 61.46 3kgt s VAL 122 Cb -0.21 -3.13 -0.03 0.00 0.00 0.00 0.00 36.38 33.01 3kgt s VAL 122 CO -0.02 0.09 -0.17 -0.89 0.00 0.00 0.00 175.10 174.11 3kgt s THR 123 N 1.54 2.88 -0.36 3.92 2.01 0.07 -4.97 115.64 120.72 3kgt s THR 123 Ca 0.03 -1.15 -0.17 0.00 0.31 0.00 0.00 61.69 60.71 3kgt s THR 123 Cb -0.17 -2.22 -0.00 0.00 0.01 0.00 0.00 72.50 70.12 3kgt s THR 123 CO 0.04 0.34 0.47 0.21 -0.69 0.00 0.00 174.62 174.99 3kgt s ASN 124 N -1.44 6.27 0.00 3.53 3.84 -1.26 -0.98 114.94 124.89 3kgt s ASN 124 Ca 0.15 -0.14 0.30 0.00 0.21 0.00 0.00 52.86 53.38 3kgt s ASN 124 Cb -0.11 -2.25 1.80 0.00 -0.55 0.00 0.00 41.25 40.14 3kgt s ASN 124 CO 0.06 -0.46 2.13 -0.81 -2.79 0.00 0.00 177.10 175.22