#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1thc n PRO 11 N 0.00 1.62 -3.49 0.00 -0.04 -1.26 -4.84 135.00 126.98 1thc n PRO 11 Ca 0.00 -0.93 -0.21 0.00 -0.04 0.00 0.00 63.50 62.32 1thc n PRO 11 Cb 0.00 -1.37 -0.13 0.00 -0.04 0.00 0.00 33.50 31.96 1thc n PRO 11 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1thc s LEU 12 N -1.54 0.06 0.18 1.53 2.96 -1.25 -0.94 118.68 119.68 1thc s LEU 12 Ca 0.31 -0.65 0.11 0.00 -0.22 0.00 0.00 54.13 53.68 1thc s LEU 12 Cb 0.16 0.17 -0.04 0.00 0.50 0.00 0.00 46.19 46.98 1thc s LEU 12 CO 0.25 -0.37 -0.22 -0.32 -1.32 0.00 0.00 176.35 174.36 1thc s MET 13 N 2.26 1.58 0.20 1.98 -2.45 0.18 -4.67 119.30 118.38 1thc s MET 13 Ca 0.07 -1.45 0.09 0.00 -1.25 0.00 0.00 55.69 53.16 1thc s MET 13 Cb -0.15 -1.91 -0.04 0.00 1.25 0.00 0.00 34.83 33.98 1thc s MET 13 CO -0.23 0.42 -0.18 0.08 1.05 0.00 0.00 175.02 176.16 1thc s VAL 14 N -1.56 1.98 -0.07 10.11 1.01 -1.03 -1.52 120.40 129.32 1thc s VAL 14 Ca 0.20 -2.07 -0.06 0.00 0.00 0.00 0.00 61.98 60.04 1thc s VAL 14 Cb -0.08 -2.00 0.02 0.00 0.00 0.00 0.00 36.38 34.32 1thc s VAL 14 CO 0.10 -0.36 0.18 -0.75 0.00 0.00 0.00 175.10 174.27 1thc s LYS 15 N -3.08 0.21 -0.08 2.72 2.47 -0.95 -0.86 119.74 120.19 1thc s LYS 15 Ca 0.20 0.26 0.00 0.00 -1.56 0.00 0.00 55.97 54.87 1thc s LYS 15 Cb -0.05 0.10 0.02 0.00 -1.46 0.00 0.00 37.83 36.44 1thc s LYS 15 CO 0.08 -0.03 -0.05 0.08 0.16 0.00 0.00 175.35 175.59 1thc s VAL 16 N 0.13 0.72 0.31 4.02 1.01 -0.45 -2.35 120.40 123.79 1thc s VAL 16 Ca -0.00 -0.15 0.09 0.00 0.00 0.00 0.00 61.98 61.92 1thc s VAL 16 Cb -0.02 -0.76 -0.04 0.00 0.00 0.00 0.00 36.38 35.56 1thc s VAL 16 CO 0.00 0.30 0.06 -0.76 0.00 0.00 0.00 175.10 174.70 1thc s LEU 17 N 1.43 3.21 -0.21 3.92 1.43 -0.68 0.24 118.68 128.01 1thc s LEU 17 Ca -0.02 -0.73 0.02 0.00 -1.03 0.00 0.00 54.13 52.36 1thc s LEU 17 Cb -0.13 -1.69 0.04 0.00 0.03 0.00 0.00 46.19 44.44 1thc s LEU 17 CO -0.04 -0.15 -0.14 -0.62 0.23 0.00 0.00 176.35 175.63 1thc s ASP 18 N -3.75 3.64 0.00 2.29 -1.08 0.88 -2.03 116.67 116.62 1thc s ASP 18 Ca 0.34 -0.97 0.12 0.00 -0.52 0.00 0.00 52.55 51.52 1thc s ASP 18 Cb -0.04 -1.43 0.35 0.00 -1.46 0.00 0.00 42.92 40.34 1thc s ASP 18 CO 0.21 -0.11 1.28 0.00 0.52 0.00 0.00 175.17 177.08 1thc n ALA 19 N 4.58 2.45 -0.12 3.66 0.00 0.60 -1.58 120.51 130.09 1thc n ALA 19 Ca -0.17 -0.60 -0.24 0.00 0.00 0.00 0.00 53.44 52.44 1thc n ALA 19 Cb 0.46 -0.98 -0.10 0.00 0.00 0.00 0.00 19.45 18.83 1thc n ALA 19 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1thc n VAL 20 N 0.49 1.38 1.01 0.00 0.31 -1.26 -4.54 118.33 115.72 1thc n VAL 20 Ca 0.12 -0.40 0.12 0.00 -0.01 0.00 0.00 64.34 64.17 1thc n VAL 20 Cb 0.29 -1.69 0.29 0.00 -0.91 0.00 0.00 33.84 31.82 1thc n VAL 20 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1thc n ARG 21 N -3.85 0.03 -3.67 5.55 1.74 -1.25 -4.96 116.66 110.25 1thc n ARG 21 Ca -0.47 -0.02 -0.22 0.00 -0.77 0.00 0.00 57.85 56.37 1thc n ARG 21 Cb 0.88 -1.50 0.04 0.00 -1.02 0.00 0.00 32.46 30.87 1thc n ARG 21 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1thc n GLY 22 N 1.49 -0.33 3.36 -0.13 0.00 -0.61 -4.99 105.19 103.98 1thc n GLY 22 Ca 0.06 0.13 -0.15 0.00 0.00 0.00 0.00 46.02 46.07 1thc n GLY 22 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1thc s SER 23 N -4.21 0.79 0.35 1.61 1.04 -1.09 -5.02 113.70 107.18 1thc s SER 23 Ca 0.10 -1.47 -0.26 0.00 0.48 0.00 0.00 55.95 54.81 1thc s SER 23 Cb -0.05 0.54 -0.09 0.00 0.10 0.00 0.00 66.02 66.52 1thc s SER 23 CO 0.80 -1.08 1.04 -2.84 0.98 0.00 0.00 173.24 172.13 1thc s PRO 24 N -3.60 4.36 -0.25 4.02 0.02 -1.26 -0.08 135.00 138.21 1thc s PRO 24 Ca 0.35 1.55 -0.20 0.00 0.02 0.00 0.00 61.00 62.71 1thc s PRO 24 Cb 0.02 -2.75 -0.02 0.00 0.02 0.00 0.00 34.50 31.77 1thc s PRO 24 CO 0.19 0.03 0.64 0.00 -0.33 0.00 0.00 177.00 177.52 1thc s ALA 25 N -1.52 3.61 -0.10 -1.55 0.00 0.66 -4.68 121.76 118.18 1thc s ALA 25 Ca 0.53 -0.42 0.00 0.00 0.00 0.00 0.00 51.96 52.07 1thc s ALA 25 Cb -0.24 -3.04 -0.02 0.00 0.00 0.00 0.00 23.12 19.82 1thc s ALA 25 CO 0.30 -0.80 -0.09 0.96 0.00 0.00 0.00 175.76 176.12 1thc s ILE 26 N 2.50 3.45 -0.20 0.00 -0.00 -1.26 -3.98 121.20 121.71 1thc s ILE 26 Ca 0.26 -0.55 -0.01 0.00 -0.00 0.00 0.00 60.65 60.36 1thc s ILE 26 Cb -0.15 -2.43 0.00 0.00 -0.00 0.00 0.00 42.46 39.88 1thc s ILE 26 CO 0.08 0.56 0.17 0.59 -0.00 0.00 0.00 174.94 176.34 1thc n ASN 27 N 2.82 -2.27 -4.70 4.36 4.13 -0.87 -4.96 115.26 113.76 1thc n ASN 27 Ca -0.18 -0.09 -0.37 0.00 1.68 0.00 0.00 54.58 55.62 1thc n ASN 27 Cb 0.53 -1.21 -0.08 0.00 -1.54 0.00 0.00 39.78 37.48 1thc n ASN 27 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 1thc s VAL 28 N -3.05 5.30 0.09 2.41 1.01 -1.26 -4.78 120.40 120.12 1thc s VAL 28 Ca 0.04 0.48 -0.30 0.00 0.00 0.00 0.00 61.98 62.19 1thc s VAL 28 Cb -0.02 -3.61 -0.05 0.00 0.00 0.00 0.00 36.38 32.70 1thc s VAL 28 CO 0.11 0.35 0.99 0.00 0.00 0.00 0.00 175.10 176.55 1thc s ALA 29 N 0.82 3.25 -0.14 5.51 0.00 -1.26 -1.17 121.76 128.77 1thc s ALA 29 Ca 0.14 0.61 -0.00 0.00 0.00 0.00 0.00 51.96 52.71 1thc s ALA 29 Cb -0.13 -3.31 0.03 0.00 0.00 0.00 0.00 23.12 19.71 1thc s ALA 29 CO 0.04 -0.12 -0.07 0.08 0.00 0.00 0.00 175.76 175.69 1thc s VAL 30 N 0.26 1.12 -0.14 0.00 1.01 -0.61 -1.09 120.40 120.95 1thc s VAL 30 Ca 0.49 -0.45 0.01 0.00 0.00 0.00 0.00 61.98 62.04 1thc s VAL 30 Cb -0.24 -1.18 -0.00 0.00 0.00 0.00 0.00 36.38 34.96 1thc s VAL 30 CO 0.30 0.29 -0.17 -1.00 0.00 0.00 0.00 175.10 174.52 1thc s HIS 31 N 1.66 2.73 0.08 5.22 3.76 0.56 -2.58 115.29 126.71 1thc s HIS 31 Ca 0.03 -1.04 -0.00 0.00 -0.15 0.00 0.00 55.06 53.90 1thc s HIS 31 Cb -0.14 -1.84 -0.04 0.00 1.11 0.00 0.00 32.58 31.67 1thc s HIS 31 CO -0.08 -0.46 0.23 0.08 -0.85 0.00 0.00 174.74 173.66 1thc s VAL 32 N 0.68 5.36 -0.04 -0.90 1.01 0.62 -1.50 120.40 125.64 1thc s VAL 32 Ca -0.08 -0.38 -0.02 0.00 0.00 0.00 0.00 61.98 61.50 1thc s VAL 32 Cb -0.16 -3.64 0.02 0.00 0.00 0.00 0.00 36.38 32.61 1thc s VAL 32 CO 0.02 0.11 0.09 -0.36 0.00 0.00 0.00 175.10 174.95 1thc s PHE 33 N -1.55 -0.08 -0.16 5.22 0.08 -0.60 -1.15 117.98 119.74 1thc s PHE 33 Ca 0.35 0.28 -0.08 0.00 0.12 0.00 0.00 56.93 57.60 1thc s PHE 33 Cb -0.13 -0.08 -0.04 0.00 -0.57 0.00 0.00 43.02 42.20 1thc s PHE 33 CO 0.28 -0.10 0.12 0.50 -0.10 0.00 0.00 175.22 175.92 1thc s ARG 34 N 0.70 3.81 0.13 0.44 3.52 0.67 -0.78 118.95 127.45 1thc s ARG 34 Ca -0.06 -0.20 -0.30 0.00 -0.13 0.00 0.00 55.73 55.04 1thc s ARG 34 Cb -0.08 -3.28 -0.07 0.00 -1.56 0.00 0.00 34.95 29.97 1thc s ARG 34 CO -0.03 0.51 1.15 0.21 -0.81 0.00 0.00 175.30 176.34 1thc s LYS 35 N -0.26 4.51 0.32 5.12 2.47 -0.52 0.24 119.74 131.61 1thc s LYS 35 Ca 0.11 1.76 0.02 0.00 -1.56 0.00 0.00 55.97 56.30 1thc s LYS 35 Cb -0.12 -3.30 -0.03 0.00 -1.46 0.00 0.00 37.83 32.92 1thc s LYS 35 CO 0.01 -0.10 0.49 0.00 0.16 0.00 0.00 175.35 175.92 1thc s ALA 36 N 0.36 3.79 0.34 3.13 0.00 0.17 -4.87 121.76 124.68 1thc s ALA 36 Ca 0.54 -1.04 0.14 0.00 0.00 0.00 0.00 51.96 51.60 1thc s ALA 36 Cb -0.30 -1.98 1.11 0.00 0.00 0.00 0.00 23.12 21.95 1thc s ALA 36 CO 0.33 0.04 1.62 0.00 0.00 0.00 0.00 175.76 177.74 1thc h ALA 37 N 0.87 1.86 0.00 0.00 0.00 -1.96 1.74 119.26 121.76 1thc h ALA 37 Ca -0.50 0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.65 1thc h ALA 37 Cb 1.23 0.30 0.00 0.00 0.00 0.00 0.00 17.79 19.32 1thc h ALA 37 CO 0.61 -0.72 0.00 -0.40 0.00 0.00 0.00 179.25 178.74 1thc n ASP 38 N -5.21 0.29 -3.68 0.00 5.75 -1.26 -4.79 116.55 107.65 1thc n ASP 38 Ca 0.32 -1.62 -0.22 0.00 -0.01 0.00 0.00 54.79 53.26 1thc n ASP 38 Cb 1.04 -0.15 0.04 0.00 -1.03 0.00 0.00 41.12 41.03 1thc n ASP 38 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 1thc n ASP 39 N -0.29 -1.73 -4.05 -1.12 -0.08 0.59 -4.97 116.55 104.90 1thc n ASP 39 Ca 0.00 -0.78 -0.27 0.00 -1.51 0.00 0.00 54.79 52.23 1thc n ASP 39 Cb 0.07 -4.21 -0.17 0.00 2.34 0.00 0.00 41.12 39.16 1thc n ASP 39 CO 0.00 0.00 0.00 -0.89 0.12 0.00 0.00 177.20 176.43 1thc s THR 40 N -3.59 1.36 -0.50 5.18 2.01 -1.04 -4.87 115.64 114.19 1thc s THR 40 Ca 0.08 -0.58 -0.26 0.00 0.31 0.00 0.00 61.69 61.24 1thc s THR 40 Cb -0.04 -1.24 -0.06 0.00 0.01 0.00 0.00 72.50 71.17 1thc s THR 40 CO 0.80 0.41 2.32 0.26 -0.69 0.00 0.00 174.62 177.72 1thc s TRP 41 N 0.84 1.16 -0.15 4.92 0.23 -1.26 0.41 118.94 125.09 1thc s TRP 41 Ca -0.10 1.43 -0.05 0.00 -2.03 0.00 0.00 56.10 55.34 1thc s TRP 41 Cb -0.15 -3.67 -0.03 0.00 0.03 0.00 0.00 33.47 29.65 1thc s TRP 41 CO 0.01 -2.54 0.02 -1.83 0.96 0.00 0.00 176.95 173.57 1thc s GLU 42 N 8.03 3.66 0.23 4.98 -1.05 0.14 -4.89 118.70 129.80 1thc s GLU 42 Ca 0.93 -0.41 -0.29 0.00 -0.15 0.00 0.00 54.97 55.05 1thc s GLU 42 Cb -0.17 -3.02 -0.15 0.00 -0.44 0.00 0.00 34.13 30.34 1thc s GLU 42 CO 0.25 0.36 0.91 -0.35 0.95 0.00 0.00 175.26 177.39 1thc n PRO 43 N 3.21 0.90 0.00 -4.83 -0.04 -1.26 -0.24 135.00 132.74 1thc n PRO 43 Ca -0.17 0.32 0.00 0.00 -0.04 0.00 0.00 63.50 63.60 1thc n PRO 43 Cb 0.53 -1.62 0.00 0.00 -0.04 0.00 0.00 33.50 32.37 1thc n PRO 43 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1thc n PHE 44 N 0.47 0.00 0.00 0.54 7.35 -0.30 -4.71 117.46 120.80 1thc n PHE 44 Ca 0.13 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.82 1thc n PHE 44 Cb 0.28 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.11 1thc n PHE 44 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1thc n ALA 45 N -1.17 0.00 -3.35 3.13 0.00 -1.23 -5.01 120.51 112.88 1thc n ALA 45 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.35 1thc n ALA 45 Cb 0.21 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.62 1thc n ALA 45 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1thc s SER 46 N 0.00 -0.26 0.00 0.00 1.04 -1.26 -0.27 113.70 112.94 1thc s SER 46 Ca 0.00 -0.50 0.00 0.00 0.48 0.00 0.00 55.95 55.93 1thc s SER 46 Cb 0.00 0.59 0.00 0.00 0.10 0.00 0.00 66.02 66.71 1thc s SER 46 CO 0.00 -1.08 0.00 0.61 0.98 0.00 0.00 173.24 173.75 1thc n GLY 47 N -0.36 -0.65 3.56 7.32 0.00 -1.07 -4.88 105.19 109.12 1thc n GLY 47 Ca -0.09 -0.97 -0.34 0.00 0.00 0.00 0.00 46.02 44.62 1thc n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1thc s LYS 48 N -2.00 2.93 0.37 1.61 1.02 -1.26 -1.58 119.74 120.83 1thc s LYS 48 Ca 0.00 -0.55 -0.28 0.00 0.02 0.00 0.00 55.97 55.16 1thc s LYS 48 Cb 0.00 -2.65 -0.10 0.00 -0.52 0.00 0.00 37.83 34.56 1thc s LYS 48 CO 0.00 0.58 1.43 0.95 -0.92 0.00 0.00 175.35 177.39 1thc s THR 49 N -0.57 2.25 0.72 2.17 -4.23 -0.32 -4.88 115.64 110.77 1thc s THR 49 Ca 0.09 0.25 -0.09 0.00 -1.18 0.00 0.00 61.69 60.75 1thc s THR 49 Cb -0.12 -3.15 0.16 0.00 1.34 0.00 0.00 72.50 70.73 1thc s THR 49 CO 0.02 0.06 0.98 -1.54 -0.54 0.00 0.00 174.62 173.59 1thc n SER 50 N 0.48 0.44 -0.32 3.99 3.41 -0.74 -2.05 113.62 118.82 1thc n SER 50 Ca 0.01 -1.58 0.22 0.00 -0.26 0.00 0.00 58.87 57.26 1thc n SER 50 Cb 0.40 -0.71 0.43 0.00 -0.26 0.00 0.00 64.21 64.07 1thc n SER 50 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1thc h GLU 51 N 0.00 0.13 -0.68 4.33 4.39 -1.93 0.47 114.58 121.29 1thc h GLU 51 Ca -0.32 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.37 1thc h GLU 51 Cb 0.97 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.59 1thc h GLU 51 CO 0.26 0.08 0.00 -1.13 -1.16 0.00 0.00 179.01 177.06 1thc n SER 52 N -5.25 4.18 -0.19 1.42 3.41 -1.26 -4.86 113.62 111.07 1thc n SER 52 Ca 0.29 -2.21 -0.02 0.00 -0.26 0.00 0.00 58.87 56.67 1thc n SER 52 Cb 0.96 -0.52 -0.01 0.00 -0.26 0.00 0.00 64.21 64.38 1thc n SER 52 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1thc n GLY 53 N 1.38 0.58 3.59 5.00 0.00 0.17 -4.78 105.19 111.12 1thc n GLY 53 Ca 0.24 -0.51 -0.26 0.00 0.00 0.00 0.00 46.02 45.49 1thc n GLY 53 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1thc s GLU 54 N -1.55 2.11 -0.23 1.61 8.01 -1.26 -1.34 118.70 126.05 1thc s GLU 54 Ca 0.00 -1.32 -0.04 0.00 0.01 0.00 0.00 54.97 53.62 1thc s GLU 54 Cb 0.00 -2.15 0.09 0.00 -4.31 0.00 0.00 34.13 27.77 1thc s GLU 54 CO 0.00 0.41 0.18 -1.17 0.01 0.00 0.00 175.26 174.70 1thc s LEU 55 N -3.06 0.14 0.00 1.80 0.20 -0.04 -1.80 118.68 115.93 1thc s LEU 55 Ca 0.27 -0.68 0.19 0.00 0.69 0.00 0.00 54.13 54.60 1thc s LEU 55 Cb -0.08 0.07 0.19 0.00 -0.43 0.00 0.00 46.19 45.94 1thc s LEU 55 CO 0.16 -0.37 1.14 1.41 -0.29 0.00 0.00 176.35 178.41 1thc n HIS 56 N 5.29 0.07 0.00 5.38 8.25 -1.26 -2.48 115.22 130.48 1thc n HIS 56 Ca -0.05 -0.05 0.00 0.00 -0.26 0.00 0.00 57.72 57.36 1thc n HIS 56 Cb 0.47 -0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.58 1thc n HIS 56 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1thc n GLY 57 N 1.11 -3.19 0.73 -1.41 0.00 -1.26 -4.52 105.19 96.64 1thc n GLY 57 Ca 0.12 0.68 0.00 0.00 0.00 0.00 0.00 46.02 46.83 1thc n GLY 57 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1thc n LEU 58 N -0.91 0.00 -3.96 0.99 4.77 -1.26 -4.81 117.00 111.82 1thc n LEU 58 Ca 0.00 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 55.89 1thc n LEU 58 Cb 0.00 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.05 1thc n LEU 58 CO 0.00 0.00 0.27 0.28 -1.33 0.00 0.00 177.39 176.61 1thc s THR 59 N 0.00 0.00 -0.13 -5.08 -1.32 -1.26 -4.86 115.64 103.00 1thc s THR 59 Ca 0.00 -1.28 -0.08 0.00 -1.21 0.00 0.00 61.69 59.11 1thc s THR 59 Cb 0.00 -2.19 -0.04 0.00 -1.51 0.00 0.00 72.50 68.76 1thc s THR 59 CO 0.00 0.00 0.16 -0.89 -2.21 0.00 0.00 174.62 171.68 1thc s THR 60 N -3.88 5.46 0.20 5.08 2.01 -1.26 -4.37 115.64 118.88 1thc s THR 60 Ca 0.19 0.25 -0.11 0.00 0.31 0.00 0.00 61.69 62.34 1thc s THR 60 Cb -0.02 -3.44 0.13 0.00 0.01 0.00 0.00 72.50 69.18 1thc s THR 60 CO 0.09 0.58 1.74 -0.08 -0.69 0.00 0.00 174.62 176.26 1thc h GLU 61 N 5.26 0.35 -0.15 4.92 4.81 -1.97 0.37 114.58 128.17 1thc h GLU 61 Ca -0.52 -0.02 -0.14 0.00 -0.13 0.00 0.00 59.36 58.55 1thc h GLU 61 Cb 1.22 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 30.51 1thc h GLU 61 CO 0.61 0.23 -0.50 0.93 -0.73 0.00 0.00 179.01 179.56 1thc h GLU 62 N 0.36 0.39 0.09 1.92 5.08 -2.03 -3.14 114.58 117.27 1thc h GLU 62 Ca 0.29 -0.23 -0.26 0.00 -1.00 0.00 0.00 59.36 58.16 1thc h GLU 62 Cb 0.36 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.62 1thc h GLU 62 CO -0.31 0.80 -1.17 0.37 -1.00 0.00 0.00 179.01 177.71 1thc h GLN 63 N 0.31 0.20 -5.89 2.33 4.15 -1.71 -3.40 115.11 111.10 1thc h GLN 63 Ca 0.01 -0.34 -0.42 0.00 0.77 0.00 0.00 58.65 58.67 1thc h GLN 63 Cb 0.99 0.13 -0.07 0.00 0.21 0.00 0.00 27.48 28.74 1thc h GLN 63 CO 0.09 1.16 1.06 0.12 -1.93 0.00 0.00 178.83 179.32 1thc s PHE 64 N -2.68 2.09 0.43 3.99 5.36 0.12 -4.98 117.98 122.31 1thc s PHE 64 Ca -0.03 0.06 0.03 0.00 -0.96 0.00 0.00 56.93 56.03 1thc s PHE 64 Cb 0.08 -4.31 0.00 0.00 -0.34 0.00 0.00 43.02 38.45 1thc s PHE 64 CO 0.87 -1.85 0.63 0.14 -1.46 0.00 0.00 175.22 173.54 1thc s VAL 65 N 8.00 3.77 0.30 3.12 -7.23 -1.26 -4.92 120.40 122.17 1thc s VAL 65 Ca 0.60 -0.68 -0.29 0.00 -1.81 0.00 0.00 61.98 59.80 1thc s VAL 65 Cb -0.04 -3.37 -0.13 0.00 0.56 0.00 0.00 36.38 33.40 1thc s VAL 65 CO -0.03 -0.22 1.25 -0.62 -0.31 0.00 0.00 175.10 175.17 1thc n GLU 66 N -1.99 1.89 -3.93 4.82 1.02 -1.26 -4.86 120.64 116.32 1thc n GLU 66 Ca 0.02 0.66 0.00 0.00 -0.02 0.00 0.00 57.16 57.83 1thc n GLU 66 Cb 0.58 -2.21 0.00 0.00 -0.02 0.00 0.00 31.44 29.79 1thc n GLU 66 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1thc n GLY 67 N 1.29 -2.70 3.63 0.62 0.00 -0.96 -4.99 105.19 102.09 1thc n GLY 67 Ca 0.08 -1.33 -0.39 0.00 0.00 0.00 0.00 46.02 44.38 1thc n GLY 67 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1thc s ILE 68 N -2.11 5.17 0.11 -0.61 -1.09 -1.26 -0.71 121.20 120.70 1thc s ILE 68 Ca 0.00 0.68 0.06 0.00 -2.23 0.00 0.00 60.65 59.15 1thc s ILE 68 Cb 0.00 -3.73 -0.04 0.00 -1.58 0.00 0.00 42.46 37.11 1thc s ILE 68 CO 0.00 0.18 -0.14 -0.31 -1.23 0.00 0.00 174.94 173.45 1thc s TYR 69 N 1.82 1.34 -0.07 3.97 1.51 -0.45 -1.44 117.35 124.02 1thc s TYR 69 Ca 0.18 -0.56 -0.02 0.00 -1.01 0.00 0.00 57.07 55.66 1thc s TYR 69 Cb -0.15 -0.71 0.03 0.00 -0.11 0.00 0.00 41.96 41.02 1thc s TYR 69 CO 0.09 0.12 0.04 0.21 -1.11 0.00 0.00 175.55 174.90 1thc s LYS 70 N -2.59 0.19 -0.20 -0.62 2.20 0.04 -0.48 119.74 118.27 1thc s LYS 70 Ca 0.07 0.21 -0.11 0.00 -0.36 0.00 0.00 55.97 55.78 1thc s LYS 70 Cb -0.05 -0.87 -0.05 0.00 -1.51 0.00 0.00 37.83 35.35 1thc s LYS 70 CO 0.03 -0.37 0.20 0.08 -0.36 0.00 0.00 175.35 174.92 1thc s VAL 71 N 2.09 5.35 -0.26 4.02 1.01 0.14 -1.56 120.40 131.19 1thc s VAL 71 Ca 0.04 0.31 -0.03 0.00 0.00 0.00 0.00 61.98 62.31 1thc s VAL 71 Cb -0.13 -3.54 0.03 0.00 0.00 0.00 0.00 36.38 32.74 1thc s VAL 71 CO -0.05 0.38 -0.03 -0.70 0.00 0.00 0.00 175.10 174.71 1thc s GLU 72 N 0.68 2.83 -0.21 2.72 2.12 -0.56 -0.99 118.70 125.28 1thc s GLU 72 Ca 0.11 -0.99 -0.09 0.00 0.36 0.00 0.00 54.97 54.35 1thc s GLU 72 Cb -0.12 -3.07 -0.05 0.00 0.26 0.00 0.00 34.13 31.14 1thc s GLU 72 CO 0.02 -0.43 0.12 0.42 -0.54 0.00 0.00 175.26 174.85 1thc s ILE 73 N 1.35 5.17 -1.04 -3.70 1.01 0.10 -0.33 121.20 123.77 1thc s ILE 73 Ca -0.00 0.11 -0.16 0.00 0.00 0.00 0.00 60.65 60.59 1thc s ILE 73 Cb -0.17 -3.38 0.15 0.00 0.01 0.00 0.00 42.46 39.07 1thc s ILE 73 CO -0.03 0.40 1.24 -0.62 0.00 0.00 0.00 174.94 175.93 1thc s ASP 74 N 0.69 6.82 0.12 3.58 2.15 -0.25 -2.05 116.67 127.72 1thc s ASP 74 Ca 0.06 -2.47 0.04 0.00 0.43 0.00 0.00 52.55 50.62 1thc s ASP 74 Cb -0.12 -2.39 -0.20 0.00 -0.30 0.00 0.00 42.92 39.90 1thc s ASP 74 CO 0.01 -0.91 1.26 0.71 -0.17 0.00 0.00 175.17 176.08 1thc h THR 75 N 5.30 1.65 -0.73 1.71 1.35 -1.87 -3.25 112.91 117.07 1thc h THR 75 Ca 0.22 -3.28 -0.00 0.00 -0.55 0.00 0.00 66.41 62.80 1thc h THR 75 Cb 0.96 2.84 -0.04 0.00 -1.73 0.00 0.00 68.15 70.18 1thc h THR 75 CO 1.15 0.94 0.45 0.50 -0.25 0.00 0.00 175.52 178.31 1thc h LYS 76 N 0.02 0.99 -0.37 4.72 3.64 -1.75 0.00 116.57 123.82 1thc h LYS 76 Ca -0.04 -0.08 -0.16 0.00 -1.27 0.00 0.00 60.65 59.10 1thc h LYS 76 Cb 1.79 -0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 33.39 1thc h LYS 76 CO 0.15 0.69 -0.39 0.77 -2.27 0.00 0.00 179.45 178.39 1thc h SER 77 N 1.01 0.99 -0.19 4.20 0.02 -1.89 -1.32 113.55 116.38 1thc h SER 77 Ca 0.26 -0.47 -0.09 0.00 -0.84 0.00 0.00 61.79 60.65 1thc h SER 77 Cb -0.05 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 62.20 1thc h SER 77 CO -0.05 1.26 -0.18 0.22 -1.14 0.00 0.00 176.83 176.94 1thc h TYR 78 N 0.74 0.67 -0.01 3.45 5.03 -1.09 -3.08 116.97 122.69 1thc h TYR 78 Ca 0.06 -0.13 -0.24 0.00 2.58 0.00 0.00 58.73 61.00 1thc h TYR 78 Cb 0.99 -0.17 0.01 0.00 1.55 0.00 0.00 36.73 39.11 1thc h TYR 78 CO 0.07 0.75 -0.96 -1.49 -1.32 0.00 0.00 178.16 175.20 1thc h TRP 79 N 0.55 0.80 -0.49 -3.82 -0.00 -1.05 -3.28 115.95 108.65 1thc h TRP 79 Ca 0.09 -0.42 -0.08 0.00 -0.00 0.00 0.00 58.89 58.47 1thc h TRP 79 Cb 0.62 -0.09 -0.02 0.00 -0.00 0.00 0.00 29.16 29.66 1thc h TRP 79 CO 0.02 1.25 -0.01 0.87 -0.00 0.00 0.00 178.44 180.58 1thc h LYS 80 N 0.31 0.88 0.00 0.49 1.57 -0.95 0.51 116.57 119.39 1thc h LYS 80 Ca -0.09 -0.28 0.00 0.00 -1.87 0.00 0.00 60.65 58.40 1thc h LYS 80 Cb 1.60 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 33.83 1thc h LYS 80 CO 0.18 0.92 0.00 0.00 -0.57 0.00 0.00 179.45 179.97 1thc h ALA 81 N 0.93 1.00 -0.10 3.86 0.00 -1.63 0.56 119.26 123.89 1thc h ALA 81 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1thc h ALA 81 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1thc h ALA 81 CO 0.03 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.56 1thc n LEU 82 N -2.75 2.59 -1.80 0.00 7.99 -1.12 -4.94 117.00 116.98 1thc n LEU 82 Ca 0.00 -1.14 -0.15 0.00 -0.01 0.00 0.00 56.01 54.71 1thc n LEU 82 Cb 0.21 -0.05 -0.00 0.00 -0.11 0.00 0.00 43.42 43.46 1thc n LEU 82 CO 0.22 0.49 -0.18 0.61 -1.51 0.00 0.00 177.39 177.02 1thc n GLY 83 N 1.00 -0.26 3.62 -0.72 0.00 0.20 -4.98 105.19 104.03 1thc n GLY 83 Ca 0.11 -0.23 -0.34 0.00 0.00 0.00 0.00 46.02 45.57 1thc n GLY 83 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1thc s ILE 84 N -2.79 3.91 -0.45 -0.61 1.01 0.18 -4.97 121.20 117.48 1thc s ILE 84 Ca 0.02 -0.42 -0.26 0.00 0.00 0.00 0.00 60.65 59.99 1thc s ILE 84 Cb -0.01 -2.62 0.03 0.00 0.01 0.00 0.00 42.46 39.86 1thc s ILE 84 CO 0.02 0.59 0.93 -0.55 0.00 0.00 0.00 174.94 175.93 1thc s SER 85 N -0.89 6.53 0.53 3.58 0.15 -1.26 -2.53 113.70 119.81 1thc s SER 85 Ca 0.13 0.21 -0.11 0.00 0.70 0.00 0.00 55.95 56.87 1thc s SER 85 Cb -0.11 -2.46 -0.05 0.00 -1.71 0.00 0.00 66.02 61.69 1thc s SER 85 CO 0.02 -1.02 0.93 -2.16 1.20 0.00 0.00 173.24 172.21 1thc s PRO 86 N 3.73 3.72 -0.11 5.44 0.04 -1.26 -4.90 135.00 141.66 1thc s PRO 86 Ca 0.37 0.66 -0.11 0.00 0.04 0.00 0.00 61.00 61.97 1thc s PRO 86 Cb -0.10 -2.21 -0.27 0.00 0.04 0.00 0.00 34.50 31.96 1thc s PRO 86 CO 0.25 -0.32 0.45 0.35 0.04 0.00 0.00 177.00 177.77 1thc h PHE 87 N 0.42 0.49 -3.62 0.56 3.57 -1.83 -3.48 116.94 113.05 1thc h PHE 87 Ca -0.46 -0.36 -0.51 0.00 3.53 0.00 0.00 57.97 60.17 1thc h PHE 87 Cb 1.19 -0.02 -0.03 0.00 2.79 0.00 0.00 35.95 39.88 1thc h PHE 87 CO 0.63 1.70 0.04 -1.01 -2.23 0.00 0.00 178.31 177.44 1thc s HIS 88 N -2.53 3.44 0.14 0.41 0.09 -1.26 -4.95 115.29 110.63 1thc s HIS 88 Ca -0.21 1.16 -0.03 0.00 -0.00 0.00 0.00 55.06 55.98 1thc s HIS 88 Cb 0.06 -2.48 -0.05 0.00 -0.00 0.00 0.00 32.58 30.11 1thc s HIS 88 CO 0.77 0.19 1.35 0.93 -0.00 0.00 0.00 174.74 177.98 1thc h GLU 89 N 2.57 0.41 0.00 1.40 4.39 -1.98 -3.38 114.58 117.98 1thc h GLU 89 Ca -0.48 -0.40 0.00 0.00 0.34 0.00 0.00 59.36 58.82 1thc h GLU 89 Cb 1.18 0.10 0.00 0.00 -0.10 0.00 0.00 28.75 29.93 1thc h GLU 89 CO 0.66 1.06 0.00 -2.39 -1.16 0.00 0.00 179.01 177.18 1thc n HIS 90 N -3.77 0.00 -4.18 4.33 1.44 -1.26 -4.31 115.22 107.46 1thc n HIS 90 Ca -0.06 0.00 -0.32 0.00 -2.01 0.00 0.00 57.72 55.33 1thc n HIS 90 Cb 0.79 0.00 -0.08 0.00 0.12 0.00 0.00 29.99 30.82 1thc n HIS 90 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1thc s ALA 91 N -2.00 3.39 0.05 1.59 0.00 -0.87 -4.95 121.76 118.96 1thc s ALA 91 Ca 0.00 -0.97 -0.08 0.00 0.00 0.00 0.00 51.96 50.91 1thc s ALA 91 Cb 0.00 -1.38 -0.00 0.00 0.00 0.00 0.00 23.12 21.74 1thc s ALA 91 CO 0.00 0.68 0.16 -1.21 0.00 0.00 0.00 175.76 175.39 1thc s GLU 92 N -1.84 0.69 -0.11 0.00 2.02 -1.26 0.02 118.70 118.22 1thc s GLU 92 Ca 0.23 -0.75 -0.04 0.00 0.02 0.00 0.00 54.97 54.42 1thc s GLU 92 Cb -0.12 0.28 0.06 0.00 0.10 0.00 0.00 34.13 34.45 1thc s GLU 92 CO 0.14 -0.19 0.22 0.08 0.02 0.00 0.00 175.26 175.53 1thc s VAL 93 N -2.89 -0.29 -0.06 2.63 1.01 -0.16 -4.96 120.40 115.67 1thc s VAL 93 Ca -0.03 0.28 0.05 0.00 0.00 0.00 0.00 61.98 62.28 1thc s VAL 93 Cb 0.00 -0.38 -0.01 0.00 0.00 0.00 0.00 36.38 35.99 1thc s VAL 93 CO -0.06 0.12 -0.22 -0.69 0.00 0.00 0.00 175.10 174.25 1thc s VAL 94 N 2.14 2.31 0.28 2.92 1.01 -1.26 0.24 120.40 128.05 1thc s VAL 94 Ca -0.00 -0.97 -0.02 0.00 0.00 0.00 0.00 61.98 60.98 1thc s VAL 94 Cb -0.12 -1.86 -0.02 0.00 0.00 0.00 0.00 36.38 34.38 1thc s VAL 94 CO -0.08 0.57 0.35 0.72 0.00 0.00 0.00 175.10 176.66 1thc s PHE 95 N -0.19 1.07 -0.12 5.22 -0.71 0.36 -5.00 117.98 118.61 1thc s PHE 95 Ca -0.02 -1.27 0.00 0.00 -1.04 0.00 0.00 56.93 54.61 1thc s PHE 95 Cb -0.14 -0.27 -0.01 0.00 -1.21 0.00 0.00 43.02 41.39 1thc s PHE 95 CO 0.03 -0.92 -0.14 0.99 -1.34 0.00 0.00 175.22 173.84 1thc s THR 96 N -3.62 2.98 -0.95 -4.49 2.01 -1.26 -1.34 115.64 108.96 1thc s THR 96 Ca 0.33 -0.69 -0.16 0.00 0.31 0.00 0.00 61.69 61.48 1thc s THR 96 Cb 0.02 -2.24 0.18 0.00 0.01 0.00 0.00 72.50 70.47 1thc s THR 96 CO 0.17 0.53 1.06 0.00 -0.69 0.00 0.00 174.62 175.69 1thc s ALA 97 N 0.27 3.82 0.00 7.40 0.00 0.11 -4.67 121.76 128.68 1thc s ALA 97 Ca -0.10 -3.13 0.00 0.00 0.00 0.00 0.00 51.96 48.73 1thc s ALA 97 Cb -0.16 -3.85 0.00 0.00 0.00 0.00 0.00 23.12 19.12 1thc s ALA 97 CO 0.06 -2.66 0.00 -1.71 0.00 0.00 0.00 175.76 171.45 1thc n ASN 98 N 5.24 0.00 0.00 0.00 2.85 -1.26 -2.27 115.26 119.81 1thc n ASN 98 Ca 0.23 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.70 1thc n ASN 98 Cb 0.47 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.49 1thc n ASN 98 CO 0.00 0.00 0.00 0.47 -2.11 0.00 0.00 177.26 175.62 1thc n ASP 99 N -0.03 0.00 -0.03 1.20 9.92 -1.26 -1.16 116.55 125.20 1thc n ASP 99 Ca 0.00 0.00 -0.12 0.00 -0.53 0.00 0.00 54.79 54.14 1thc n ASP 99 Cb 0.00 0.00 -0.10 0.00 -0.64 0.00 0.00 41.12 40.38 1thc n ASP 99 CO 0.00 0.00 0.00 0.28 0.13 0.00 0.00 177.20 177.61 1thc h SER 100 N 0.00 -0.04 -4.97 -2.24 0.02 -2.02 -3.46 113.55 100.84 1thc h SER 100 Ca 0.00 -0.66 -0.03 0.00 -0.84 0.00 0.00 61.79 60.26 1thc h SER 100 Cb 0.00 0.01 -0.16 0.00 0.14 0.00 0.00 62.40 62.39 1thc h SER 100 CO 0.00 0.69 0.22 -0.83 -1.14 0.00 0.00 176.83 175.77 1thc s GLY 101 N -3.69 -0.59 0.07 -3.77 0.00 -1.19 -5.13 107.32 93.01 1thc s GLY 101 Ca -0.16 0.96 -0.34 0.00 0.00 0.00 0.00 44.72 45.18 1thc s GLY 101 CO 0.59 0.59 1.69 -1.55 0.00 0.00 0.00 173.10 174.42 1thc n PRO 102 N 0.30 2.16 0.00 2.90 -0.04 -0.31 -4.91 135.00 135.11 1thc n PRO 102 Ca -0.18 0.79 0.00 0.00 -0.04 0.00 0.00 63.50 64.07 1thc n PRO 102 Cb 0.61 -2.58 0.00 0.00 -0.04 0.00 0.00 33.50 31.48 1thc n PRO 102 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 1thc n ARG 103 N 4.64 2.99 -3.51 0.54 3.00 -1.26 -5.08 116.66 117.99 1thc n ARG 103 Ca 0.19 0.00 -0.42 0.00 -0.00 0.00 0.00 57.85 57.62 1thc n ARG 103 Cb 0.29 0.00 -0.09 0.00 0.00 0.00 0.00 32.46 32.66 1thc n ARG 103 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.63 178.66 1thc s ARG 104 N 5.00 2.76 0.06 -0.14 0.52 -1.11 -4.70 118.95 121.35 1thc s ARG 104 Ca 0.00 -1.43 0.00 0.00 -0.52 0.00 0.00 55.73 53.78 1thc s ARG 104 Cb 0.00 -3.94 -0.04 0.00 0.52 0.00 0.00 34.95 31.49 1thc s ARG 104 CO 0.00 -1.00 0.21 0.71 0.02 0.00 0.00 175.30 175.24 1thc s TYR 105 N 1.51 3.51 -0.09 -0.53 1.51 -0.11 -2.60 117.35 120.55 1thc s TYR 105 Ca 0.03 0.24 -0.02 0.00 -1.01 0.00 0.00 57.07 56.32 1thc s TYR 105 Cb -0.24 -1.75 0.04 0.00 -0.11 0.00 0.00 41.96 39.90 1thc s TYR 105 CO 0.04 0.59 0.04 0.99 -1.11 0.00 0.00 175.55 176.09 1thc s THR 106 N -1.51 0.17 -0.32 -0.71 2.01 -1.19 0.49 115.64 114.57 1thc s THR 106 Ca 0.35 0.11 -0.01 0.00 0.31 0.00 0.00 61.69 62.45 1thc s THR 106 Cb -0.13 -0.47 0.07 0.00 0.01 0.00 0.00 72.50 71.99 1thc s THR 106 CO 0.28 0.10 0.04 -0.63 -0.69 0.00 0.00 174.62 173.72 1thc s ILE 107 N 2.05 2.85 0.01 1.82 1.09 -0.57 -1.06 121.20 127.39 1thc s ILE 107 Ca 0.04 -1.70 -0.00 0.00 -1.10 0.00 0.00 60.65 57.88 1thc s ILE 107 Cb -0.13 -2.78 -0.04 0.00 -1.06 0.00 0.00 42.46 38.45 1thc s ILE 107 CO -0.05 -0.30 0.12 0.00 -0.10 0.00 0.00 174.94 174.61 1thc s ALA 108 N 1.16 3.71 -0.07 9.38 0.00 -0.58 -2.23 121.76 133.13 1thc s ALA 108 Ca -0.00 -0.86 -0.01 0.00 0.00 0.00 0.00 51.96 51.08 1thc s ALA 108 Cb -0.20 -1.65 0.03 0.00 0.00 0.00 0.00 23.12 21.29 1thc s ALA 108 CO -0.03 0.73 -0.01 0.00 0.00 0.00 0.00 175.76 176.44 1thc s ALA 109 N -1.28 0.75 -0.25 0.00 0.00 -0.99 -0.80 121.76 119.20 1thc s ALA 109 Ca 0.26 -0.16 -0.06 0.00 0.00 0.00 0.00 51.96 52.00 1thc s ALA 109 Cb -0.12 -0.73 -0.01 0.00 0.00 0.00 0.00 23.12 22.25 1thc s ALA 109 CO 0.17 -0.42 0.04 -1.17 0.00 0.00 0.00 175.76 174.38 1thc s LEU 110 N 1.86 3.35 0.21 0.00 0.20 -1.19 -1.69 118.68 121.42 1thc s LEU 110 Ca 0.04 -0.36 0.08 0.00 0.69 0.00 0.00 54.13 54.58 1thc s LEU 110 Cb -0.12 -1.86 -0.04 0.00 -0.43 0.00 0.00 46.19 43.74 1thc s LEU 110 CO -0.05 -0.06 0.02 -0.76 -0.29 0.00 0.00 176.35 175.21 1thc s LEU 111 N 1.55 3.34 0.09 -0.68 1.43 -0.86 -1.79 118.68 121.75 1thc s LEU 111 Ca 0.05 -0.46 -0.09 0.00 -1.03 0.00 0.00 54.13 52.60 1thc s LEU 111 Cb -0.15 -1.93 0.00 0.00 0.03 0.00 0.00 46.19 44.14 1thc s LEU 111 CO 0.01 0.05 0.21 -0.44 0.23 0.00 0.00 176.35 176.41 1thc s SER 112 N -3.28 0.08 0.15 2.29 0.01 0.13 -0.30 113.70 112.78 1thc s SER 112 Ca 0.29 -0.61 -0.19 0.00 1.31 0.00 0.00 55.95 56.75 1thc s SER 112 Cb -0.08 0.35 0.06 0.00 0.21 0.00 0.00 66.02 66.56 1thc s SER 112 CO 0.20 -0.74 1.66 -0.65 0.41 0.00 0.00 173.24 174.12 1thc h PRO 113 N 2.72 -0.07 -0.43 12.44 0.11 -2.00 -2.89 132.00 141.88 1thc h PRO 113 Ca -0.34 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.78 1thc h PRO 113 Cb 1.20 0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.33 1thc h PRO 113 CO 0.55 -0.05 0.00 0.66 -0.21 0.00 0.00 178.00 178.95 1thc n TYR 114 N -5.31 1.29 -3.54 0.65 4.02 -1.26 -2.46 117.16 110.55 1thc n TYR 114 Ca 0.01 -0.74 -0.16 0.00 -0.01 0.00 0.00 57.90 57.00 1thc n TYR 114 Cb 0.22 -0.31 -0.06 0.00 -0.02 0.00 0.00 39.34 39.17 1thc n TYR 114 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 1thc s SER 115 N -1.32 -0.58 0.07 7.72 0.15 -1.09 -4.97 113.70 113.69 1thc s SER 115 Ca 0.45 0.64 -0.14 0.00 0.70 0.00 0.00 55.95 57.61 1thc s SER 115 Cb 0.33 0.49 0.02 0.00 -1.71 0.00 0.00 66.02 65.15 1thc s SER 115 CO 0.15 -0.52 0.31 -0.72 1.20 0.00 0.00 173.24 173.66 1thc s TYR 116 N -1.13 -0.09 0.41 3.44 -0.85 -1.26 -0.70 117.35 117.17 1thc s TYR 116 Ca -0.08 -0.13 0.05 0.00 -0.52 0.00 0.00 57.07 56.39 1thc s TYR 116 Cb -0.00 0.12 -0.06 0.00 0.38 0.00 0.00 41.96 42.40 1thc s TYR 116 CO 0.07 -0.56 0.03 0.45 -1.52 0.00 0.00 175.55 174.02 1thc s SER 117 N -2.38 3.46 -0.07 -0.18 0.15 -0.74 -4.97 113.70 108.98 1thc s SER 117 Ca -0.01 -1.47 -0.27 0.00 0.70 0.00 0.00 55.95 54.91 1thc s SER 117 Cb 0.01 -0.03 0.06 0.00 -1.71 0.00 0.00 66.02 64.35 1thc s SER 117 CO -0.07 -0.63 0.60 0.28 1.20 0.00 0.00 173.24 174.63 1thc s THR 118 N -2.94 0.01 0.07 6.45 -1.32 -1.26 -3.20 115.64 113.45 1thc s THR 118 Ca 0.28 -0.10 -0.13 0.00 -1.21 0.00 0.00 61.69 60.53 1thc s THR 118 Cb 0.07 -0.91 0.02 0.00 -1.51 0.00 0.00 72.50 70.17 1thc s THR 118 CO 0.14 -0.05 0.29 0.42 -2.21 0.00 0.00 174.62 173.21 1thc s THR 119 N -1.03 0.09 -0.01 5.08 -4.23 0.02 -4.99 115.64 110.58 1thc s THR 119 Ca -0.10 -0.78 0.06 0.00 -1.18 0.00 0.00 61.69 59.69 1thc s THR 119 Cb -0.02 -1.07 -0.03 0.00 1.34 0.00 0.00 72.50 72.73 1thc s THR 119 CO 0.08 -0.43 -0.19 0.00 -0.54 0.00 0.00 174.62 173.54 1thc s ALA 120 N -3.07 2.49 -0.28 3.99 0.00 -1.26 -1.53 121.76 122.11 1thc s ALA 120 Ca -0.01 -1.10 0.02 0.00 0.00 0.00 0.00 51.96 50.87 1thc s ALA 120 Cb 0.01 -0.76 0.07 0.00 0.00 0.00 0.00 23.12 22.44 1thc s ALA 120 CO -0.07 0.55 -0.03 0.08 0.00 0.00 0.00 175.76 176.29 1thc s VAL 121 N -0.77 1.88 -0.32 0.00 1.01 -0.22 -5.03 120.40 116.95 1thc s VAL 121 Ca 0.12 -1.67 -0.09 0.00 0.00 0.00 0.00 61.98 60.35 1thc s VAL 121 Cb -0.10 -2.18 0.01 0.00 0.00 0.00 0.00 36.38 34.11 1thc s VAL 121 CO 0.02 -0.25 0.14 -0.69 0.00 0.00 0.00 175.10 174.32 1thc s VAL 122 N 1.19 4.36 0.04 2.92 1.01 -1.26 -3.14 120.40 125.53 1thc s VAL 122 Ca -0.01 -0.64 0.03 0.00 0.00 0.00 0.00 61.98 61.36 1thc s VAL 122 Cb -0.19 -3.29 -0.02 0.00 0.00 0.00 0.00 36.38 32.87 1thc s VAL 122 CO -0.08 -0.01 -0.10 0.42 0.00 0.00 0.00 175.10 175.33 1thc s THR 123 N 1.56 0.76 -2.09 3.92 -4.23 -1.07 -5.01 115.64 109.47 1thc s THR 123 Ca 0.03 -1.03 0.17 0.00 -1.18 0.00 0.00 61.69 59.67 1thc s THR 123 Cb -0.18 -0.76 0.13 0.00 1.34 0.00 0.00 72.50 73.04 1thc s THR 123 CO 0.05 -0.23 1.03 -0.46 -0.54 0.00 0.00 174.62 174.47