#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uht s SER 2 N 0.00 -0.42 0.08 1.61 1.04 -1.26 -5.18 113.70 109.57 1uht s SER 2 Ca 0.00 0.51 0.06 0.00 0.48 0.00 0.00 55.95 57.00 1uht s SER 2 Cb 0.00 0.41 -0.03 0.00 0.10 0.00 0.00 66.02 66.50 1uht s SER 2 CO 0.00 -0.36 -0.17 -0.44 0.98 0.00 0.00 173.24 173.26 1uht s SER 3 N -0.95 2.00 0.01 7.02 0.01 -1.26 -5.01 113.70 115.52 1uht s SER 3 Ca -0.02 -0.63 -0.00 0.00 1.31 0.00 0.00 55.95 56.61 1uht s SER 3 Cb -0.01 -0.09 0.00 0.00 0.21 0.00 0.00 66.02 66.13 1uht s SER 3 CO 0.02 -0.01 0.00 0.61 0.41 0.00 0.00 173.24 174.27 1uht n GLY 4 N 1.27 -4.60 2.15 3.44 0.00 -1.26 -5.06 105.19 101.14 1uht n GLY 4 Ca -0.20 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.66 1uht n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1uht n SER 5 N 1.07 -2.72 -4.62 1.61 2.88 -1.26 -5.08 113.62 105.50 1uht n SER 5 Ca -0.01 0.65 -0.43 0.00 -1.33 0.00 0.00 58.87 57.75 1uht n SER 5 Cb 0.01 2.64 -0.03 0.00 -0.75 0.00 0.00 64.21 66.09 1uht n SER 5 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1uht s SER 6 N -2.59 6.17 0.00 -3.46 0.15 -1.26 -4.81 113.70 107.91 1uht s SER 6 Ca 0.00 1.76 0.00 0.00 0.70 0.00 0.00 55.95 58.41 1uht s SER 6 Cb 0.00 -2.53 0.00 0.00 -1.71 0.00 0.00 66.02 61.78 1uht s SER 6 CO 0.00 -1.40 0.00 0.61 1.20 0.00 0.00 173.24 173.65 1uht n GLY 7 N 4.92 2.40 3.64 9.45 0.00 -1.26 -5.18 105.19 119.17 1uht n GLY 7 Ca 0.21 0.15 -0.03 0.00 0.00 0.00 0.00 46.02 46.36 1uht n GLY 7 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1uht s MET 8 N -0.60 0.34 0.04 1.61 1.00 -1.26 -5.01 119.30 115.41 1uht s MET 8 Ca 0.00 0.54 0.26 0.00 0.00 0.00 0.00 55.69 56.49 1uht s MET 8 Cb 0.00 0.09 0.62 0.00 0.00 0.00 0.00 34.83 35.54 1uht s MET 8 CO 0.00 -0.06 1.51 1.33 0.00 0.00 0.00 175.02 177.79 1uht n VAL 9 N 3.31 0.12 -3.89 -6.03 0.24 -1.26 -4.73 118.33 106.10 1uht n VAL 9 Ca -0.17 -0.08 -0.27 0.00 -2.04 0.00 0.00 64.34 61.78 1uht n VAL 9 Cb 0.57 -0.04 -0.17 0.00 -1.47 0.00 0.00 33.84 32.74 1uht n VAL 9 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 1uht s THR 10 N -3.05 0.97 0.61 3.34 2.01 -1.26 -4.88 115.64 113.38 1uht s THR 10 Ca 0.10 -0.31 -0.15 0.00 0.31 0.00 0.00 61.69 61.65 1uht s THR 10 Cb 0.16 -1.03 -0.03 0.00 0.01 0.00 0.00 72.50 71.61 1uht s THR 10 CO 0.67 0.31 1.05 -2.16 -0.69 0.00 0.00 174.62 173.80 1uht s PRO 11 N 1.73 3.29 0.41 4.92 0.04 -1.26 -4.64 135.00 139.48 1uht s PRO 11 Ca 0.04 1.12 -0.24 0.00 0.04 0.00 0.00 61.00 61.96 1uht s PRO 11 Cb -0.13 -2.03 -0.09 0.00 0.04 0.00 0.00 34.50 32.29 1uht s PRO 11 CO -0.08 -0.83 1.10 -1.12 0.04 0.00 0.00 177.00 176.12 1uht s SER 12 N -3.07 6.61 -0.43 6.66 0.01 0.86 -4.55 113.70 119.79 1uht s SER 12 Ca 0.62 2.18 -0.20 0.00 1.31 0.00 0.00 55.95 59.85 1uht s SER 12 Cb -0.15 -2.60 0.02 0.00 0.21 0.00 0.00 66.02 63.50 1uht s SER 12 CO 0.41 -0.61 0.63 -0.22 0.41 0.00 0.00 173.24 173.86 1uht s LEU 13 N -2.62 4.49 -0.33 2.44 1.98 -1.10 -1.10 118.68 122.45 1uht s LEU 13 Ca 0.58 -0.31 -0.08 0.00 -2.89 0.00 0.00 54.13 51.43 1uht s LEU 13 Cb -0.26 -2.71 0.02 0.00 0.66 0.00 0.00 46.19 43.90 1uht s LEU 13 CO 0.32 -0.75 0.12 -0.60 -1.89 0.00 0.00 176.35 173.56 1uht s ARG 14 N 2.77 2.91 -0.48 1.98 3.52 -0.45 -1.93 118.95 127.28 1uht s ARG 14 Ca 0.22 -0.99 -0.20 0.00 -0.13 0.00 0.00 55.73 54.63 1uht s ARG 14 Cb -0.14 -3.49 0.04 0.00 -1.56 0.00 0.00 34.95 29.79 1uht s ARG 14 CO 0.18 -0.56 0.66 -0.51 -0.81 0.00 0.00 175.30 174.26 1uht s LEU 15 N 1.49 4.65 -0.23 -0.88 1.43 -0.83 -1.96 118.68 122.35 1uht s LEU 15 Ca 0.01 -0.57 -0.09 0.00 -1.03 0.00 0.00 54.13 52.45 1uht s LEU 15 Cb -0.18 -2.62 -0.04 0.00 0.03 0.00 0.00 46.19 43.38 1uht s LEU 15 CO 0.04 -0.86 0.12 -0.69 0.23 0.00 0.00 176.35 175.19 1uht s VAL 16 N 2.84 5.03 -0.98 -1.59 1.01 -0.27 -0.89 120.40 125.55 1uht s VAL 16 Ca 0.20 0.07 -0.22 0.00 0.00 0.00 0.00 61.98 62.03 1uht s VAL 16 Cb -0.16 -3.33 0.08 0.00 0.00 0.00 0.00 36.38 32.96 1uht s VAL 16 CO 0.16 0.37 1.33 -0.36 0.00 0.00 0.00 175.10 176.60 1uht s PHE 17 N 1.03 2.73 0.15 5.22 0.08 0.33 0.15 117.98 127.66 1uht s PHE 17 Ca 0.06 -1.01 0.15 0.00 0.12 0.00 0.00 56.93 56.25 1uht s PHE 17 Cb -0.14 -4.55 0.41 0.00 -0.57 0.00 0.00 43.02 38.17 1uht s PHE 17 CO 0.04 -1.79 1.61 -0.39 -0.10 0.00 0.00 175.22 174.59 1uht h VAL 18 N 6.45 1.13 -3.29 -0.44 -1.51 -1.61 0.75 116.25 117.73 1uht h VAL 18 Ca 0.17 -2.00 -0.21 0.00 -1.23 0.00 0.00 66.70 63.44 1uht h VAL 18 Cb 1.02 2.16 -0.05 0.00 -2.13 0.00 0.00 31.29 32.28 1uht h VAL 18 CO 1.32 0.52 -0.20 0.29 -1.23 0.00 0.00 177.57 178.27 1uht n LYS 19 N -3.55 0.28 0.00 5.19 5.02 -1.01 -4.69 118.16 119.40 1uht n LYS 19 Ca -0.00 -1.40 0.00 0.00 -2.02 0.00 0.00 58.31 54.88 1uht n LYS 19 Cb 0.62 1.08 0.00 0.00 -0.02 0.00 0.00 35.03 36.71 1uht n LYS 19 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1uht n GLY 20 N -0.05 -2.07 0.20 0.72 0.00 0.22 -3.10 105.19 101.11 1uht n GLY 20 Ca 0.02 -1.67 0.08 0.00 0.00 0.00 0.00 46.02 44.45 1uht n GLY 20 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1uht h PRO 21 N 0.00 0.00 -0.33 1.61 0.13 -1.95 -2.71 132.00 128.75 1uht h PRO 21 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1uht h PRO 21 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1uht h PRO 21 CO 0.00 0.27 0.00 0.54 -0.23 0.00 0.00 178.00 178.58 1uht n ARG 22 N -3.29 2.05 -1.59 0.86 1.74 -1.26 -4.95 116.66 110.21 1uht n ARG 22 Ca 0.01 -1.60 -0.62 0.00 -0.77 0.00 0.00 57.85 54.87 1uht n ARG 22 Cb 0.53 -1.41 -0.10 0.00 -1.02 0.00 0.00 32.46 30.46 1uht n ARG 22 CO 0.00 0.00 0.00 -1.91 -1.52 0.00 0.00 177.63 174.20 1uht n GLU 23 N 0.81 0.35 0.00 5.56 2.13 -1.02 0.17 120.64 128.64 1uht n GLU 23 Ca 0.17 0.12 0.00 0.00 0.66 0.00 0.00 57.16 58.11 1uht n GLU 23 Cb 0.42 -1.72 0.00 0.00 0.27 0.00 0.00 31.44 30.42 1uht n GLU 23 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1uht n GLY 24 N 5.14 0.86 3.94 8.31 0.00 0.26 -4.97 105.19 118.72 1uht n GLY 24 Ca 0.37 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 46.14 1uht n GLY 24 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1uht s ASP 25 N -1.59 6.34 -0.23 1.61 1.11 0.13 -4.90 116.67 119.13 1uht s ASP 25 Ca 0.00 0.45 -0.17 0.00 0.18 0.00 0.00 52.55 53.01 1uht s ASP 25 Cb 0.00 -2.03 0.07 0.00 1.07 0.00 0.00 42.92 42.03 1uht s ASP 25 CO 0.00 -0.20 0.59 0.00 1.18 0.00 0.00 175.17 176.73 1uht s ALA 26 N -2.15 -1.52 0.42 5.23 0.00 -1.26 0.12 121.76 122.60 1uht s ALA 26 Ca 0.40 1.90 0.06 0.00 0.00 0.00 0.00 51.96 54.31 1uht s ALA 26 Cb -0.10 -1.12 -0.07 0.00 0.00 0.00 0.00 23.12 21.83 1uht s ALA 26 CO 0.33 -0.31 0.01 -0.51 0.00 0.00 0.00 175.76 175.28 1uht s LEU 27 N 0.99 2.79 -0.09 0.00 1.43 -0.07 -4.96 118.68 118.77 1uht s LEU 27 Ca -0.05 -1.40 -0.09 0.00 -1.03 0.00 0.00 54.13 51.55 1uht s LEU 27 Cb -0.05 -0.86 0.02 0.00 0.03 0.00 0.00 46.19 45.33 1uht s LEU 27 CO -0.09 -0.50 0.26 1.51 0.23 0.00 0.00 176.35 177.76 1uht s ASP 28 N -3.72 -0.25 0.17 2.29 -4.77 -1.26 -1.96 116.67 107.17 1uht s ASP 28 Ca 0.32 0.47 -0.00 0.00 -3.30 0.00 0.00 52.55 50.03 1uht s ASP 28 Cb 0.09 0.51 -0.04 0.00 -1.09 0.00 0.00 42.92 42.38 1uht s ASP 28 CO 0.16 -0.13 0.07 -0.31 0.70 0.00 0.00 175.17 175.67 1uht s TYR 29 N -0.02 1.08 0.55 2.11 1.51 -0.81 -4.99 117.35 116.78 1uht s TYR 29 Ca -0.02 -1.23 -0.06 0.00 -1.01 0.00 0.00 57.07 54.76 1uht s TYR 29 Cb -0.02 -0.59 -0.01 0.00 -0.11 0.00 0.00 41.96 41.23 1uht s TYR 29 CO 0.01 -0.48 0.86 0.15 -1.11 0.00 0.00 175.55 174.98 1uht s LYS 30 N -4.06 3.15 -0.06 -0.62 1.02 -1.26 -2.72 119.74 115.19 1uht s LYS 30 Ca 0.30 0.07 -0.30 0.00 0.02 0.00 0.00 55.97 56.06 1uht s LYS 30 Cb 0.07 -2.31 -0.03 0.00 -0.52 0.00 0.00 37.83 35.04 1uht s LYS 30 CO 0.06 -0.52 1.23 -1.25 -0.92 0.00 0.00 175.35 173.95 1uht s PRO 31 N -4.90 4.33 0.00 -1.68 0.04 -1.26 -2.87 135.00 128.66 1uht s PRO 31 Ca 0.52 1.70 0.00 0.00 0.04 0.00 0.00 61.00 63.26 1uht s PRO 31 Cb -0.10 -3.58 0.00 0.00 0.04 0.00 0.00 34.50 30.86 1uht s PRO 31 CO 0.45 -0.49 0.00 0.41 0.04 0.00 0.00 177.00 177.42 1uht n GLY 32 N 3.42 1.05 3.35 0.56 0.00 -1.26 -5.08 105.19 107.23 1uht n GLY 32 Ca 0.11 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.78 1uht n GLY 32 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1uht s SER 33 N -2.00 4.53 0.11 1.61 0.01 -1.14 -4.88 113.70 111.95 1uht s SER 33 Ca 0.00 -0.34 -0.30 0.00 1.31 0.00 0.00 55.95 56.62 1uht s SER 33 Cb 0.00 -1.79 -0.06 0.00 0.21 0.00 0.00 66.02 64.38 1uht s SER 33 CO 0.00 -0.02 1.15 -0.89 0.41 0.00 0.00 173.24 173.89 1uht s THR 34 N 1.48 3.96 -0.44 1.44 2.01 -1.26 -4.66 115.64 118.18 1uht s THR 34 Ca 0.06 1.53 0.01 0.00 0.31 0.00 0.00 61.69 63.59 1uht s THR 34 Cb -0.14 -3.98 0.12 0.00 0.01 0.00 0.00 72.50 68.51 1uht s THR 34 CO -0.01 0.18 0.20 -0.63 -0.69 0.00 0.00 174.62 173.67 1uht s ILE 35 N 0.47 2.87 -0.17 1.82 1.09 0.41 -4.93 121.20 122.76 1uht s ILE 35 Ca 0.54 -2.53 -0.29 0.00 -1.10 0.00 0.00 60.65 57.27 1uht s ILE 35 Cb -0.29 -3.00 -0.01 0.00 -1.06 0.00 0.00 42.46 38.10 1uht s ILE 35 CO 0.32 -0.71 1.15 -0.13 -0.10 0.00 0.00 174.94 175.47 1uht s ARG 36 N 0.61 4.28 -0.22 2.79 1.81 -1.26 -0.35 118.95 126.60 1uht s ARG 36 Ca 0.12 1.53 -0.05 0.00 -1.72 0.00 0.00 55.73 55.61 1uht s ARG 36 Cb -0.22 -3.67 -0.02 0.00 -0.45 0.00 0.00 34.95 30.60 1uht s ARG 36 CO -0.05 -0.61 -0.01 0.08 -0.68 0.00 0.00 175.30 174.04 1uht s VAL 37 N 3.08 3.70 0.00 3.52 1.01 -0.63 -1.15 120.40 129.92 1uht s VAL 37 Ca 0.50 -0.38 0.00 0.00 0.00 0.00 0.00 61.98 62.10 1uht s VAL 37 Cb -0.19 -2.69 0.00 0.00 0.00 0.00 0.00 36.38 33.49 1uht s VAL 37 CO 0.13 0.40 0.00 0.61 0.00 0.00 0.00 175.10 176.24 1uht n GLY 38 N 4.71 5.32 0.16 4.51 0.00 -0.23 -2.15 105.19 117.51 1uht n GLY 38 Ca -0.17 -1.10 -0.20 0.00 0.00 0.00 0.00 46.02 44.54 1uht n GLY 38 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1uht n ARG 39 N 0.00 0.56 -3.35 1.61 0.63 -0.29 -1.37 116.66 114.45 1uht n ARG 39 Ca 0.00 0.17 -0.36 0.00 -0.92 0.00 0.00 57.85 56.74 1uht n ARG 39 Cb 0.00 -1.44 -0.06 0.00 0.45 0.00 0.00 32.46 31.41 1uht n ARG 39 CO 0.00 0.00 0.00 0.96 -2.51 0.00 0.00 177.63 176.08 1uht s ILE 40 N -2.46 4.85 0.12 5.15 -4.36 -1.26 -3.67 121.20 119.56 1uht s ILE 40 Ca -0.33 0.88 -0.04 0.00 -0.26 0.00 0.00 60.65 60.91 1uht s ILE 40 Cb 0.10 -3.76 -0.21 0.00 1.25 0.00 0.00 42.46 39.84 1uht s ILE 40 CO 0.50 0.30 1.26 -0.37 0.24 0.00 0.00 174.94 176.87 1uht h VAL 41 N 2.94 1.44 -2.65 8.37 -1.51 -1.84 -3.37 116.25 119.63 1uht h VAL 41 Ca -0.49 -2.67 -0.54 0.00 -1.23 0.00 0.00 66.70 61.77 1uht h VAL 41 Cb 1.20 2.60 -0.05 0.00 -2.13 0.00 0.00 31.29 32.91 1uht h VAL 41 CO 0.65 0.79 1.19 -0.13 -1.23 0.00 0.00 177.57 178.84 1uht s ARG 42 N -3.06 3.19 0.00 5.19 0.52 -1.26 -3.41 118.95 120.12 1uht s ARG 42 Ca -0.05 0.74 0.00 0.00 -0.52 0.00 0.00 55.73 55.90 1uht s ARG 42 Cb 0.08 -4.19 0.00 0.00 0.52 0.00 0.00 34.95 31.37 1uht s ARG 42 CO 0.87 -2.06 0.00 0.41 0.02 0.00 0.00 175.30 174.54 1uht n GLY 43 N 5.37 2.88 3.90 -3.53 0.00 -1.26 -5.07 105.19 107.48 1uht n GLY 43 Ca 0.17 -0.71 -0.32 0.00 0.00 0.00 0.00 46.02 45.16 1uht n GLY 43 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1uht s ASN 44 N 0.00 6.32 0.04 1.61 0.01 -1.22 -5.02 114.94 116.69 1uht s ASN 44 Ca 0.00 0.30 -0.17 0.00 -0.71 0.00 0.00 52.86 52.28 1uht s ASN 44 Cb 0.00 -1.96 -0.08 0.00 0.41 0.00 0.00 41.25 39.63 1uht s ASN 44 CO 0.00 0.22 1.26 -0.33 -1.51 0.00 0.00 177.10 176.74 1uht h GLU 45 N 3.51 -0.40 -5.84 -0.60 4.39 -1.61 -3.42 114.58 110.61 1uht h GLU 45 Ca -0.47 0.03 -0.64 0.00 0.34 0.00 0.00 59.36 58.62 1uht h GLU 45 Cb 1.18 0.09 -0.06 0.00 -0.10 0.00 0.00 28.75 29.86 1uht h GLU 45 CO 0.72 -0.27 -0.39 0.42 -1.16 0.00 0.00 179.01 178.33 1uht s ILE 46 N -4.32 5.33 -0.22 3.13 1.01 -0.30 -4.94 121.20 120.89 1uht s ILE 46 Ca -0.08 0.28 -0.07 0.00 0.00 0.00 0.00 60.65 60.78 1uht s ILE 46 Cb 0.02 -3.54 0.10 0.00 0.01 0.00 0.00 42.46 39.06 1uht s ILE 46 CO 0.28 0.48 0.45 0.00 0.00 0.00 0.00 174.94 176.15 1uht s ALA 47 N -1.18 -1.29 -0.24 9.38 0.00 -1.26 -1.07 121.76 126.10 1uht s ALA 47 Ca 0.23 1.58 -0.07 0.00 0.00 0.00 0.00 51.96 53.70 1uht s ALA 47 Cb -0.13 -1.42 -0.03 0.00 0.00 0.00 0.00 23.12 21.54 1uht s ALA 47 CO 0.12 -0.82 0.06 0.42 0.00 0.00 0.00 175.76 175.55 1uht s ILE 48 N 2.65 4.34 -1.45 0.00 1.01 -0.47 -4.71 121.20 122.57 1uht s ILE 48 Ca -0.01 -0.17 -0.08 0.00 0.00 0.00 0.00 60.65 60.39 1uht s ILE 48 Cb -0.12 -3.01 0.04 0.00 0.01 0.00 0.00 42.46 39.37 1uht s ILE 48 CO -0.14 0.36 2.53 0.29 0.00 0.00 0.00 174.94 177.98 1uht n LYS 49 N 4.71 3.98 -0.04 2.79 4.76 -1.25 -4.33 118.16 128.78 1uht n LYS 49 Ca -0.16 -2.91 0.11 0.00 -2.87 0.00 0.00 58.31 52.48 1uht n LYS 49 Cb 0.52 -2.79 0.11 0.00 -1.84 0.00 0.00 35.03 31.02 1uht n LYS 49 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 1uht n ASP 50 N 3.10 2.89 0.00 4.39 2.03 -1.26 -4.97 116.55 122.73 1uht n ASP 50 Ca 0.65 -1.90 0.00 0.00 0.52 0.00 0.00 54.79 54.06 1uht n ASP 50 Cb 0.27 -0.05 0.00 0.00 -0.72 0.00 0.00 41.12 40.62 1uht n ASP 50 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1uht n ALA 51 N 1.23 0.00 -0.13 -1.67 0.00 -1.26 -4.53 120.51 114.15 1uht n ALA 51 Ca 0.14 0.00 0.26 0.00 0.00 0.00 0.00 53.44 53.84 1uht n ALA 51 Cb 0.54 0.00 0.55 0.00 0.00 0.00 0.00 19.45 20.54 1uht n ALA 51 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1uht h GLY 52 N 0.00 0.00 -3.66 0.00 0.00 -1.91 -3.38 103.07 94.12 1uht h GLY 52 Ca 0.00 0.00 -0.54 0.00 0.00 0.00 0.00 47.33 46.79 1uht h GLY 52 CO 0.00 0.00 -0.24 -0.42 0.00 0.00 0.00 176.54 175.88 1uht s ILE 53 N -4.51 5.11 0.21 2.60 1.01 -1.26 -4.20 121.20 120.15 1uht s ILE 53 Ca -0.03 -0.05 0.10 0.00 0.00 0.00 0.00 60.65 60.67 1uht s ILE 53 Cb 0.15 -3.70 -0.04 0.00 0.01 0.00 0.00 42.46 38.88 1uht s ILE 53 CO 0.51 -0.17 -0.15 -0.44 0.00 0.00 0.00 174.94 174.69 1uht s SER 54 N -2.92 3.93 0.16 3.58 0.01 -1.26 -4.63 113.70 112.57 1uht s SER 54 Ca 0.42 -0.74 -0.22 0.00 1.31 0.00 0.00 55.95 56.72 1uht s SER 54 Cb -0.11 -0.53 0.04 0.00 0.21 0.00 0.00 66.02 65.63 1uht s SER 54 CO 0.28 0.09 1.30 0.35 0.41 0.00 0.00 173.24 175.66 1uht n THR 55 N -0.07 -0.52 -3.39 1.44 -2.24 -1.26 -1.13 114.28 107.10 1uht n THR 55 Ca -0.10 2.01 -0.34 0.00 -2.27 0.00 0.00 64.05 63.34 1uht n THR 55 Cb 0.57 -2.54 -0.05 0.00 -2.10 0.00 0.00 70.33 66.20 1uht n THR 55 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1uht n LYS 56 N -5.12 3.08 0.04 -0.78 5.02 -1.26 -3.15 118.16 115.99 1uht n LYS 56 Ca 0.04 -4.58 -0.03 0.00 -2.02 0.00 0.00 58.31 51.73 1uht n LYS 56 Cb 0.26 -2.38 -0.01 0.00 -0.02 0.00 0.00 35.03 32.88 1uht n LYS 56 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 1uht h HIS 57 N 5.12 -0.15 -3.33 2.13 2.76 -1.40 -3.44 115.15 116.84 1uht h HIS 57 Ca 0.19 -0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.34 1uht h HIS 57 Cb 0.70 0.05 -0.06 0.00 1.55 0.00 0.00 27.41 29.64 1uht h HIS 57 CO 0.80 -0.09 0.07 -0.48 -1.30 0.00 0.00 177.93 176.93 1uht s LEU 58 N -6.55 0.08 -0.00 0.26 0.05 -0.91 -2.16 118.68 109.45 1uht s LEU 58 Ca -0.02 -0.85 0.01 0.00 0.05 0.00 0.00 54.13 53.31 1uht s LEU 58 Cb 0.00 2.29 -0.00 0.00 -2.05 0.00 0.00 46.19 46.43 1uht s LEU 58 CO 0.07 -1.31 -0.04 0.00 -0.55 0.00 0.00 176.35 174.53 1uht s ARG 59 N -3.71 0.32 -0.10 1.48 1.70 -1.16 -1.61 118.95 115.87 1uht s ARG 59 Ca 0.17 -0.16 -0.03 0.00 -0.47 0.00 0.00 55.73 55.24 1uht s ARG 59 Cb -0.03 -0.30 -0.03 0.00 -0.57 0.00 0.00 34.95 34.01 1uht s ARG 59 CO 0.09 0.08 0.03 0.42 -1.08 0.00 0.00 175.30 174.85 1uht s ILE 60 N -0.13 4.59 0.34 4.99 1.01 0.53 -3.29 121.20 129.23 1uht s ILE 60 Ca 0.01 -0.14 0.00 0.00 0.00 0.00 0.00 60.65 60.53 1uht s ILE 60 Cb -0.02 -2.96 -0.01 0.00 0.01 0.00 0.00 42.46 39.49 1uht s ILE 60 CO -0.00 0.60 0.41 -1.83 0.00 0.00 0.00 174.94 174.11 1uht s GLU 61 N -0.81 1.85 -0.00 2.79 1.03 -0.98 0.16 118.70 122.73 1uht s GLU 61 Ca 0.13 -1.83 0.00 0.00 0.03 0.00 0.00 54.97 53.30 1uht s GLU 61 Cb -0.12 0.40 0.00 0.00 -0.80 0.00 0.00 34.13 33.62 1uht s GLU 61 CO 0.03 -0.74 -0.01 0.45 -1.33 0.00 0.00 175.26 173.66 1uht s SER 62 N -3.27 0.11 0.00 0.83 0.15 -1.26 -0.98 113.70 109.28 1uht s SER 62 Ca 0.34 -0.01 0.00 0.00 0.70 0.00 0.00 55.95 56.97 1uht s SER 62 Cb 0.01 -0.02 0.00 0.00 -1.71 0.00 0.00 66.02 64.29 1uht s SER 62 CO 0.22 -0.00 0.00 -0.67 1.20 0.00 0.00 173.24 173.99 1uht n ASP 63 N 3.16 0.00 0.00 5.45 2.03 0.15 -4.75 116.55 122.59 1uht n ASP 63 Ca -0.14 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.17 1uht n ASP 63 Cb 0.59 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.99 1uht n ASP 63 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 1uht n SER 64 N 0.00 0.00 -2.62 1.67 2.88 -1.26 -3.85 113.62 110.45 1uht n SER 64 Ca 0.00 0.67 -0.11 0.00 -1.33 0.00 0.00 58.87 58.10 1uht n SER 64 Cb 0.00 -0.19 0.03 0.00 -0.75 0.00 0.00 64.21 63.30 1uht n SER 64 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1uht n GLY 65 N -0.99 2.82 3.53 0.46 0.00 -1.26 -4.95 105.19 104.81 1uht n GLY 65 Ca 0.00 -1.61 -0.09 0.00 0.00 0.00 0.00 46.02 44.32 1uht n GLY 65 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1uht s ASN 66 N -3.43 -0.18 0.05 1.61 0.01 -1.25 -4.78 114.94 106.97 1uht s ASN 66 Ca 0.33 -0.64 0.06 0.00 -0.71 0.00 0.00 52.86 51.90 1uht s ASN 66 Cb 0.41 0.57 -0.04 0.00 0.41 0.00 0.00 41.25 42.60 1uht s ASN 66 CO -0.02 -1.07 -0.10 0.26 -1.51 0.00 0.00 177.10 174.66 1uht s TRP 67 N -3.92 2.75 0.02 2.20 0.52 -1.26 0.31 118.94 119.57 1uht s TRP 67 Ca 0.13 -0.14 -0.03 0.00 0.02 0.00 0.00 56.10 56.08 1uht s TRP 67 Cb -0.01 -1.50 -0.02 0.00 -1.15 0.00 0.00 33.47 30.79 1uht s TRP 67 CO 0.01 0.37 0.04 0.14 0.02 0.00 0.00 176.95 177.52 1uht s VAL 68 N -1.07 0.12 0.03 4.03 -7.23 -0.15 -1.09 120.40 115.04 1uht s VAL 68 Ca 0.18 -1.02 0.07 0.00 -1.81 0.00 0.00 61.98 59.41 1uht s VAL 68 Cb -0.11 -0.62 -0.02 0.00 0.56 0.00 0.00 36.38 36.19 1uht s VAL 68 CO 0.10 -0.56 -0.22 -0.51 -0.31 0.00 0.00 175.10 173.60 1uht s ILE 69 N -2.05 1.73 -0.04 -0.62 2.07 0.82 -2.31 121.20 120.81 1uht s ILE 69 Ca -0.10 -1.16 -0.00 0.00 -1.41 0.00 0.00 60.65 57.98 1uht s ILE 69 Cb -0.05 -1.49 0.03 0.00 0.13 0.00 0.00 42.46 41.08 1uht s ILE 69 CO -0.02 0.29 0.02 -1.58 -1.91 0.00 0.00 174.94 171.73 1uht s GLN 70 N -1.03 0.20 -0.56 3.50 0.74 -1.21 -2.31 119.66 118.99 1uht s GLN 70 Ca 0.08 0.17 -0.26 0.00 0.05 0.00 0.00 55.36 55.41 1uht s GLN 70 Cb -0.09 -0.52 0.04 0.00 1.10 0.00 0.00 33.01 33.53 1uht s GLN 70 CO 0.01 -0.21 1.05 0.34 -0.55 0.00 0.00 175.29 175.93 1uht s ASP 71 N 1.45 6.39 -0.80 6.67 2.15 -1.25 -2.98 116.67 128.30 1uht s ASP 71 Ca -0.04 -0.15 -0.07 0.00 0.43 0.00 0.00 52.55 52.72 1uht s ASP 71 Cb -0.13 -2.49 -0.06 0.00 -0.30 0.00 0.00 42.92 39.95 1uht s ASP 71 CO -0.03 -1.34 1.97 0.18 -0.17 0.00 0.00 175.17 175.79 1uht n LEU 72 N 7.88 4.32 -4.01 -1.34 4.32 -0.92 -3.67 117.00 123.58 1uht n LEU 72 Ca 0.05 -2.68 -0.36 0.00 -0.02 0.00 0.00 56.01 52.99 1uht n LEU 72 Cb 0.48 -1.03 0.01 0.00 -1.62 0.00 0.00 43.42 41.26 1uht n LEU 72 CO 0.67 0.32 -0.16 0.61 -1.22 0.00 0.00 177.39 177.61 1uht n GLY 73 N 3.86 -0.59 2.29 -0.72 0.00 -1.26 -4.71 105.19 104.06 1uht n GLY 73 Ca 0.40 0.25 -0.18 0.00 0.00 0.00 0.00 46.02 46.49 1uht n GLY 73 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1uht n SER 74 N -1.57 -3.22 0.28 1.61 3.41 -1.24 -4.94 113.62 107.96 1uht n SER 74 Ca -0.11 -0.52 -0.12 0.00 -0.26 0.00 0.00 58.87 57.86 1uht n SER 74 Cb 0.46 -0.67 -0.06 0.00 -0.26 0.00 0.00 64.21 63.68 1uht n SER 74 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1uht h SER 75 N -2.94 -0.64 0.00 4.04 0.02 -1.89 -3.40 113.55 108.74 1uht h SER 75 Ca -0.24 0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 60.72 1uht h SER 75 Cb 0.79 0.17 -0.00 0.00 0.14 0.00 0.00 62.40 63.50 1uht h SER 75 CO 0.14 -0.31 -0.59 0.59 -1.14 0.00 0.00 176.83 175.52 1uht n ASN 76 N -4.87 1.82 0.00 3.07 3.02 -1.26 -5.11 115.26 111.92 1uht n ASN 76 Ca -0.09 0.61 0.00 0.00 -0.03 0.00 0.00 54.58 55.06 1uht n ASN 76 Cb 0.30 -0.87 0.00 0.00 -0.61 0.00 0.00 39.78 38.60 1uht n ASN 76 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1uht n GLY 77 N 1.60 2.76 3.61 7.41 0.00 -1.26 -5.13 105.19 114.17 1uht n GLY 77 Ca -0.09 -1.39 -0.34 0.00 0.00 0.00 0.00 46.02 44.20 1uht n GLY 77 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1uht s THR 78 N -2.00 3.90 -0.04 2.61 2.01 -1.26 -4.46 115.64 116.40 1uht s THR 78 Ca 0.00 -0.40 0.03 0.00 0.31 0.00 0.00 61.69 61.63 1uht s THR 78 Cb 0.00 -2.61 -0.03 0.00 0.01 0.00 0.00 72.50 69.87 1uht s THR 78 CO 0.00 0.60 -0.12 -0.76 -0.69 0.00 0.00 174.62 173.65 1uht s LEU 79 N -0.82 2.85 -0.26 4.42 1.43 0.08 0.18 118.68 126.57 1uht s LEU 79 Ca 0.13 -0.18 0.00 0.00 -1.03 0.00 0.00 54.13 53.05 1uht s LEU 79 Cb -0.11 -1.61 0.07 0.00 0.03 0.00 0.00 46.19 44.58 1uht s LEU 79 CO 0.02 0.33 0.00 -0.22 0.23 0.00 0.00 176.35 176.71 1uht s LEU 80 N -0.88 2.62 0.00 1.79 2.96 0.13 -0.17 118.68 125.13 1uht s LEU 80 Ca 0.13 -1.35 0.00 0.00 -0.22 0.00 0.00 54.13 52.68 1uht s LEU 80 Cb -0.11 -1.10 0.00 0.00 0.50 0.00 0.00 46.19 45.48 1uht s LEU 80 CO 0.02 -0.30 0.00 0.59 -1.32 0.00 0.00 176.35 175.34 1uht n ASN 81 N 4.70 0.00 -2.88 3.68 3.02 0.24 -2.24 115.26 121.77 1uht n ASN 81 Ca -0.08 0.00 -0.12 0.00 -0.03 0.00 0.00 54.58 54.35 1uht n ASN 81 Cb 0.44 0.00 0.05 0.00 -0.61 0.00 0.00 39.78 39.65 1uht n ASN 81 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1uht n SER 82 N 1.27 -1.39 -3.65 6.41 7.64 -1.26 -4.93 113.62 117.70 1uht n SER 82 Ca 0.00 -3.45 -0.04 0.00 1.01 0.00 0.00 58.87 56.39 1uht n SER 82 Cb 0.00 1.11 -0.07 0.00 -1.01 0.00 0.00 64.21 64.24 1uht n SER 82 CO 0.00 0.00 0.00 0.21 -3.01 0.00 0.00 175.04 172.24 1uht s ASN 83 N -1.63 -0.18 -0.23 6.43 2.47 -0.95 -5.13 114.94 115.72 1uht s ASN 83 Ca 0.28 0.33 -0.26 0.00 0.42 0.00 0.00 52.86 53.63 1uht s ASN 83 Cb 0.30 0.47 -0.00 0.00 -1.45 0.00 0.00 41.25 40.57 1uht s ASN 83 CO -0.07 -0.06 0.91 0.00 -3.72 0.00 0.00 177.10 174.16 1uht s ALA 84 N 0.28 3.65 1.13 1.71 0.00 -1.26 0.22 121.76 127.49 1uht s ALA 84 Ca 0.03 0.00 -0.13 0.00 0.00 0.00 0.00 51.96 51.86 1uht s ALA 84 Cb -0.05 -3.38 0.26 0.00 0.00 0.00 0.00 23.12 19.96 1uht s ALA 84 CO -0.13 -0.94 1.05 -0.51 0.00 0.00 0.00 175.76 175.23 1uht s LEU 85 N 2.90 0.95 0.10 0.00 1.43 0.49 -4.96 118.68 119.58 1uht s LEU 85 Ca 0.39 1.32 0.05 0.00 -1.03 0.00 0.00 54.13 54.85 1uht s LEU 85 Cb -0.15 -3.29 -0.03 0.00 0.03 0.00 0.00 46.19 42.75 1uht s LEU 85 CO 0.07 -3.92 -0.12 -0.62 0.23 0.00 0.00 176.35 172.00 1uht s ASP 86 N -2.90 1.64 0.11 2.29 2.15 -1.26 -4.58 116.67 114.11 1uht s ASP 86 Ca 0.67 -0.77 -0.10 0.00 0.43 0.00 0.00 52.55 52.79 1uht s ASP 86 Cb -0.22 -0.02 -0.14 0.00 -0.30 0.00 0.00 42.92 42.23 1uht s ASP 86 CO 0.62 -0.19 1.28 1.55 -0.17 0.00 0.00 175.17 178.26 1uht h PRO 87 N 3.71 0.62 -1.20 4.34 0.13 -1.98 -3.17 132.00 134.46 1uht h PRO 87 Ca -0.39 -0.60 -0.35 0.00 -0.87 0.00 0.00 66.00 63.79 1uht h PRO 87 Cb 1.19 0.15 -0.18 0.00 0.13 0.00 0.00 31.00 32.30 1uht h PRO 87 CO 0.49 1.21 0.45 0.39 -0.23 0.00 0.00 178.00 180.32 1uht n GLU 88 N -3.85 1.87 -3.65 0.86 1.02 -1.26 -4.75 120.64 110.88 1uht n GLU 88 Ca -0.08 -1.86 -0.15 0.00 -0.02 0.00 0.00 57.16 55.05 1uht n GLU 88 Cb 0.81 -1.73 -0.08 0.00 -0.02 0.00 0.00 31.44 30.43 1uht n GLU 88 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 1uht s THR 89 N -2.40 0.01 -0.11 2.62 2.01 -1.20 -5.16 115.64 111.43 1uht s THR 89 Ca 0.36 -0.11 0.02 0.00 0.31 0.00 0.00 61.69 62.27 1uht s THR 89 Cb 0.29 -0.81 0.01 0.00 0.01 0.00 0.00 72.50 72.00 1uht s THR 89 CO 0.03 -0.06 -0.16 -0.94 -0.69 0.00 0.00 174.62 172.80 1uht s SER 90 N -0.56 2.50 0.00 3.53 1.04 -1.26 -4.53 113.70 114.42 1uht s SER 90 Ca -0.07 -0.44 0.02 0.00 0.48 0.00 0.00 55.95 55.94 1uht s SER 90 Cb -0.03 -1.13 -0.04 0.00 0.10 0.00 0.00 66.02 64.93 1uht s SER 90 CO 0.05 0.04 -0.01 -0.69 0.98 0.00 0.00 173.24 173.61 1uht s VAL 91 N 0.87 4.10 -0.32 5.02 1.01 -0.98 -4.94 120.40 125.16 1uht s VAL 91 Ca -0.09 -0.63 -0.24 0.00 0.00 0.00 0.00 61.98 61.03 1uht s VAL 91 Cb -0.15 -2.83 0.00 0.00 0.00 0.00 0.00 36.38 33.40 1uht s VAL 91 CO 0.00 0.37 0.81 0.54 0.00 0.00 0.00 175.10 176.83 1uht s ASN 92 N -1.56 6.67 1.00 3.32 4.22 -1.26 -0.12 114.94 127.21 1uht s ASN 92 Ca 0.19 0.66 -0.12 0.00 -2.14 0.00 0.00 52.86 51.45 1uht s ASN 92 Cb -0.11 -2.42 0.16 0.00 1.28 0.00 0.00 41.25 40.15 1uht s ASN 92 CO 0.10 -0.65 0.88 0.18 -2.04 0.00 0.00 177.10 175.56 1uht n LEU 93 N 6.30 1.04 -3.78 3.54 4.77 -0.25 -4.94 117.00 123.68 1uht n LEU 93 Ca 0.04 0.22 -0.12 0.00 -0.03 0.00 0.00 56.01 56.13 1uht n LEU 93 Cb 0.48 -1.33 -0.08 0.00 -2.33 0.00 0.00 43.42 40.16 1uht n LEU 93 CO 0.52 -2.80 -0.01 -0.83 -1.33 0.00 0.00 177.39 172.94 1uht s GLY 94 N -2.40 -0.09 -0.45 -0.72 0.00 -1.26 -4.72 107.32 97.68 1uht s GLY 94 Ca 0.64 -0.00 -0.28 0.00 0.00 0.00 0.00 44.72 45.09 1uht s GLY 94 CO 0.62 -0.20 1.75 -0.35 0.00 0.00 0.00 173.10 174.92 1uht s ASP 95 N -1.91 5.74 0.00 1.64 2.15 -1.25 -1.87 116.67 121.17 1uht s ASP 95 Ca -0.07 0.84 0.00 0.00 0.43 0.00 0.00 52.55 53.75 1uht s ASP 95 Cb -0.02 -2.53 0.00 0.00 -0.30 0.00 0.00 42.92 40.07 1uht s ASP 95 CO -0.02 -1.91 0.00 0.61 -0.17 0.00 0.00 175.17 173.68 1uht n GLY 96 N 5.47 1.60 3.84 2.66 0.00 0.44 -4.96 105.19 114.22 1uht n GLY 96 Ca 0.21 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.85 1uht n GLY 96 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1uht s ASP 97 N -2.00 6.86 -0.23 1.61 1.11 -0.78 -4.85 116.67 118.38 1uht s ASP 97 Ca 0.00 1.04 -0.04 0.00 0.18 0.00 0.00 52.55 53.73 1uht s ASP 97 Cb 0.00 -2.28 -0.00 0.00 1.07 0.00 0.00 42.92 41.71 1uht s ASP 97 CO 0.00 0.24 -0.03 -0.69 1.18 0.00 0.00 175.17 175.88 1uht s VAL 98 N -1.21 3.43 -0.47 -1.27 1.01 -1.26 -0.28 120.40 120.35 1uht s VAL 98 Ca 0.29 -0.54 -0.15 0.00 0.00 0.00 0.00 61.98 61.58 1uht s VAL 98 Cb -0.17 -2.60 0.07 0.00 0.00 0.00 0.00 36.38 33.69 1uht s VAL 98 CO 0.17 0.37 0.39 -0.63 0.00 0.00 0.00 175.10 175.39 1uht s ILE 99 N 1.47 5.19 -0.49 2.22 1.01 0.53 0.80 121.20 131.94 1uht s ILE 99 Ca 0.05 -1.07 -0.18 0.00 0.00 0.00 0.00 60.65 59.45 1uht s ILE 99 Cb -0.15 -4.10 0.06 0.00 0.01 0.00 0.00 42.46 38.29 1uht s ILE 99 CO -0.03 -0.57 0.55 -0.54 0.00 0.00 0.00 174.94 174.36 1uht s LYS 100 N 1.63 3.08 0.24 2.79 1.02 0.76 0.57 119.74 129.84 1uht s LYS 100 Ca 0.04 -1.03 0.08 0.00 0.02 0.00 0.00 55.97 55.08 1uht s LYS 100 Cb -0.24 -4.11 -0.05 0.00 -0.52 0.00 0.00 37.83 32.91 1uht s LYS 100 CO 0.07 -1.15 -0.12 -0.48 -0.92 0.00 0.00 175.35 172.74 1uht s LEU 101 N 2.32 2.54 0.00 3.17 2.34 0.12 -0.74 118.68 128.44 1uht s LEU 101 Ca 0.12 -1.08 0.00 0.00 0.06 0.00 0.00 54.13 53.22 1uht s LEU 101 Cb -0.21 -0.73 0.00 0.00 -0.56 0.00 0.00 46.19 44.70 1uht s LEU 101 CO 0.10 -0.20 0.00 0.61 -1.06 0.00 0.00 176.35 175.80 1uht n GLY 102 N -0.49 1.33 0.04 -3.48 0.00 -1.26 -2.38 105.19 98.96 1uht n GLY 102 Ca -0.07 -0.60 -0.03 0.00 0.00 0.00 0.00 46.02 45.32 1uht n GLY 102 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1uht n GLU 103 N 12.67 0.26 -2.64 1.61 1.02 -1.26 -4.81 120.64 127.49 1uht n GLU 103 Ca 0.00 0.30 -0.11 0.00 -0.02 0.00 0.00 57.16 57.34 1uht n GLU 103 Cb 0.00 -1.18 0.03 0.00 -0.02 0.00 0.00 31.44 30.27 1uht n GLU 103 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 1uht n TYR 104 N -3.55 1.45 -3.92 -0.32 4.01 -1.26 -5.06 117.16 108.52 1uht n TYR 104 Ca -0.05 -2.79 -0.35 0.00 -0.16 0.00 0.00 57.90 54.55 1uht n TYR 104 Cb 0.19 -0.33 -0.14 0.00 -0.31 0.00 0.00 39.34 38.75 1uht n TYR 104 CO 0.00 0.00 0.00 0.99 -0.46 0.00 0.00 176.86 177.39 1uht s THR 105 N -3.48 3.15 -0.08 -0.72 2.01 -1.00 0.69 115.64 116.21 1uht s THR 105 Ca 0.30 -0.88 0.03 0.00 0.31 0.00 0.00 61.69 61.45 1uht s THR 105 Cb 0.44 -2.57 -0.02 0.00 0.01 0.00 0.00 72.50 70.36 1uht s THR 105 CO 0.01 0.22 -0.17 -0.44 -0.69 0.00 0.00 174.62 173.54 1uht s SER 106 N 1.38 3.70 -0.09 3.53 0.01 -1.24 0.14 113.70 121.14 1uht s SER 106 Ca 0.02 -0.35 0.04 0.00 1.31 0.00 0.00 55.95 56.97 1uht s SER 106 Cb -0.16 -1.11 -0.00 0.00 0.21 0.00 0.00 66.02 64.95 1uht s SER 106 CO -0.03 0.25 -0.23 -0.63 0.41 0.00 0.00 173.24 173.00 1uht s ILE 107 N -0.17 2.00 0.01 1.44 1.01 0.19 -1.74 121.20 123.94 1uht s ILE 107 Ca -0.01 -1.00 -0.08 0.00 0.00 0.00 0.00 60.65 59.56 1uht s ILE 107 Cb -0.14 -1.72 -0.05 0.00 0.01 0.00 0.00 42.46 40.57 1uht s ILE 107 CO 0.03 0.55 0.30 -0.22 0.00 0.00 0.00 174.94 175.60 1uht s LEU 108 N 0.23 4.38 -0.30 2.97 0.20 0.40 0.20 118.68 126.76 1uht s LEU 108 Ca -0.15 0.64 -0.06 0.00 0.69 0.00 0.00 54.13 55.25 1uht s LEU 108 Cb -0.17 -2.68 0.02 0.00 -0.43 0.00 0.00 46.19 42.93 1uht s LEU 108 CO 0.07 0.25 0.07 -0.69 -0.29 0.00 0.00 176.35 175.77 1uht s VAL 109 N -1.28 3.77 -0.06 1.68 1.01 0.61 -1.12 120.40 125.01 1uht s VAL 109 Ca 0.27 -0.86 0.05 0.00 0.00 0.00 0.00 61.98 61.44 1uht s VAL 109 Cb -0.14 -2.99 -0.00 0.00 0.00 0.00 0.00 36.38 33.25 1uht s VAL 109 CO 0.15 0.02 -0.21 0.20 0.00 0.00 0.00 175.10 175.27 1uht s ASN 110 N 1.45 2.62 -0.49 3.32 0.02 -0.83 0.17 114.94 121.19 1uht s ASN 110 Ca 0.01 -0.45 -0.20 0.00 -1.02 0.00 0.00 52.86 51.20 1uht s ASN 110 Cb -0.18 -0.90 0.04 0.00 0.02 0.00 0.00 41.25 40.24 1uht s ASN 110 CO 0.02 0.17 0.69 -0.36 0.02 0.00 0.00 177.10 177.63 1uht s PHE 111 N 0.13 3.01 -0.48 2.20 0.08 -1.26 -1.34 117.98 120.31 1uht s PHE 111 Ca -0.09 -0.30 -0.20 0.00 0.12 0.00 0.00 56.93 56.46 1uht s PHE 111 Cb -0.14 -3.58 0.04 0.00 -0.57 0.00 0.00 43.02 38.77 1uht s PHE 111 CO 0.05 -1.04 0.65 0.08 -0.10 0.00 0.00 175.22 174.85 1uht s VAL 112 N 2.92 4.82 -0.09 -0.44 1.01 -0.26 -4.80 120.40 123.57 1uht s VAL 112 Ca 0.20 -0.21 -0.07 0.00 0.00 0.00 0.00 61.98 61.89 1uht s VAL 112 Cb -0.16 -4.28 -0.02 0.00 0.00 0.00 0.00 36.38 31.91 1uht s VAL 112 CO 0.15 -0.75 -0.15 -0.24 0.00 0.00 0.00 175.10 174.12 1uht n SER 113 N 6.30 1.07 0.00 3.32 2.88 -1.26 -0.10 113.62 125.83 1uht n SER 113 Ca -0.04 0.35 0.00 0.00 -1.33 0.00 0.00 58.87 57.84 1uht n SER 113 Cb 0.46 -0.68 0.00 0.00 -0.75 0.00 0.00 64.21 63.25 1uht n SER 113 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1uht n GLY 114 N 1.59 -0.52 3.66 0.46 0.00 -1.26 -4.88 105.19 104.24 1uht n GLY 114 Ca -0.06 -1.17 -0.43 0.00 0.00 0.00 0.00 46.02 44.37 1uht n GLY 114 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1uht s PRO 115 N -2.00 4.25 0.88 1.61 0.04 -1.26 -5.01 135.00 133.51 1uht s PRO 115 Ca 0.00 1.68 -0.11 0.00 0.04 0.00 0.00 61.00 62.61 1uht s PRO 115 Cb 0.00 -3.74 0.12 0.00 0.04 0.00 0.00 34.50 30.92 1uht s PRO 115 CO 0.00 -0.68 1.10 -1.12 0.04 0.00 0.00 177.00 176.35 1uht s SER 116 N 1.94 3.44 0.28 6.66 0.01 -1.26 -5.05 113.70 119.72 1uht s SER 116 Ca 0.55 1.83 0.11 0.00 1.31 0.00 0.00 55.95 59.76 1uht s SER 116 Cb -0.22 -2.43 -0.05 0.00 0.21 0.00 0.00 66.02 63.52 1uht s SER 116 CO 0.16 -2.71 -0.16 -0.55 0.41 0.00 0.00 173.24 170.39 1uht s SER 117 N -3.10 3.80 0.00 2.44 0.15 -1.26 -5.26 113.70 110.47 1uht s SER 117 Ca 0.64 -0.95 0.20 0.00 0.70 0.00 0.00 55.95 56.54 1uht s SER 117 Cb -0.20 -0.42 0.16 0.00 -1.71 0.00 0.00 66.02 63.86 1uht s SER 117 CO 0.58 0.03 1.14 0.61 1.20 0.00 0.00 173.24 176.79