#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uht n SER 2 N 0.00 -6.96 -3.63 1.61 2.88 -1.26 -5.03 113.62 101.23 1uht n SER 2 Ca 0.00 1.10 -0.14 0.00 -1.33 0.00 0.00 58.87 58.50 1uht n SER 2 Cb 0.00 -4.13 -0.06 0.00 -0.75 0.00 0.00 64.21 59.27 1uht n SER 2 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1uht s SER 3 N -6.83 -0.37 -0.21 -3.46 1.04 -1.26 -5.15 113.70 97.46 1uht s SER 3 Ca 0.00 0.13 -0.05 0.00 0.48 0.00 0.00 55.95 56.51 1uht s SER 3 Cb 0.00 0.45 -0.02 0.00 0.10 0.00 0.00 66.02 66.55 1uht s SER 3 CO 0.00 -0.66 0.01 -0.83 0.98 0.00 0.00 173.24 172.73 1uht s GLY 4 N -1.87 1.72 -0.13 7.32 0.00 -1.26 -5.09 107.32 108.00 1uht s GLY 4 Ca -0.06 -1.01 -0.05 0.00 0.00 0.00 0.00 44.72 43.60 1uht s GLY 4 CO -0.01 0.27 0.05 -1.35 0.00 0.00 0.00 173.10 172.07 1uht s SER 5 N 1.07 5.59 -0.32 1.64 1.04 -1.26 -5.08 113.70 116.39 1uht s SER 5 Ca 0.02 0.18 -0.16 0.00 0.48 0.00 0.00 55.95 56.48 1uht s SER 5 Cb -0.14 -1.79 -0.02 0.00 0.10 0.00 0.00 66.02 64.17 1uht s SER 5 CO 0.02 0.30 0.39 -0.44 0.98 0.00 0.00 173.24 174.49 1uht s SER 6 N -0.42 6.23 -0.26 7.02 0.01 -1.26 -5.05 113.70 119.96 1uht s SER 6 Ca 0.09 -0.01 -0.11 0.00 1.31 0.00 0.00 55.95 57.23 1uht s SER 6 Cb -0.12 -2.21 -0.05 0.00 0.21 0.00 0.00 66.02 63.85 1uht s SER 6 CO 0.02 -0.31 0.19 -0.83 0.41 0.00 0.00 173.24 172.73 1uht s GLY 7 N 1.71 1.95 0.10 3.44 0.00 -1.26 -4.96 107.32 108.29 1uht s GLY 7 Ca 0.14 -1.00 0.07 0.00 0.00 0.00 0.00 44.72 43.93 1uht s GLY 7 CO 0.11 0.58 -0.11 -0.29 0.00 0.00 0.00 173.10 173.40 1uht s MET 8 N 1.53 2.10 0.00 2.90 0.00 -1.26 -5.01 119.30 119.56 1uht s MET 8 Ca 0.08 -1.04 0.14 0.00 0.00 0.00 0.00 55.69 54.88 1uht s MET 8 Cb -0.15 -2.29 -0.02 0.00 0.00 0.00 0.00 34.83 32.38 1uht s MET 8 CO 0.09 0.51 0.77 1.33 0.00 0.00 0.00 175.02 177.72 1uht n VAL 9 N 0.74 0.00 -3.72 10.11 0.24 -1.26 -4.88 118.33 119.56 1uht n VAL 9 Ca -0.14 -0.34 -0.24 0.00 -2.04 0.00 0.00 64.34 61.58 1uht n VAL 9 Cb 0.52 1.15 -0.17 0.00 -1.47 0.00 0.00 33.84 33.88 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 -1.79 0.26 0.30 3.34 2.01 -1.26 -4.84 115.64 113.66 1uht s THR 10 Ca 0.11 -0.08 -0.28 0.00 0.31 0.00 0.00 61.69 61.75 1uht s THR 10 Cb 0.11 -0.63 -0.09 0.00 0.01 0.00 0.00 72.50 71.90 1uht s THR 10 CO 0.38 0.01 1.08 -2.16 -0.69 0.00 0.00 174.62 173.24 1uht s PRO 11 N 2.00 4.57 0.76 4.92 0.04 -1.26 -4.66 135.00 141.36 1uht s PRO 11 Ca 0.03 1.72 -0.15 0.00 0.04 0.00 0.00 61.00 62.64 1uht s PRO 11 Cb -0.14 -3.07 0.04 0.00 0.04 0.00 0.00 34.50 31.37 1uht s PRO 11 CO -0.06 0.17 1.13 0.45 0.04 0.00 0.00 177.00 178.73 1uht n SER 12 N 0.97 0.98 -4.53 6.66 2.88 -0.29 -4.64 113.62 115.65 1uht n SER 12 Ca -0.00 0.65 -0.43 0.00 -1.33 0.00 0.00 58.87 57.76 1uht n SER 12 Cb 0.46 -1.48 -0.06 0.00 -0.75 0.00 0.00 64.21 62.37 1uht n SER 12 CO 0.00 0.00 0.00 -0.22 -1.23 0.00 0.00 175.04 173.59 1uht s LEU 13 N -4.57 4.43 -0.52 2.46 2.96 0.16 -2.38 118.68 121.22 1uht s LEU 13 Ca 0.75 -0.24 -0.10 0.00 -0.22 0.00 0.00 54.13 54.31 1uht s LEU 13 Cb -0.32 -2.78 0.13 0.00 0.50 0.00 0.00 46.19 43.72 1uht s LEU 13 CO 0.49 -0.78 0.41 -0.60 -1.32 0.00 0.00 176.35 174.55 1uht s ARG 14 N 2.89 2.65 -0.46 1.98 3.52 -0.86 -1.18 118.95 127.49 1uht s ARG 14 Ca 0.24 -1.84 -0.24 0.00 -0.13 0.00 0.00 55.73 53.75 1uht s ARG 14 Cb -0.14 -4.02 0.03 0.00 -1.56 0.00 0.00 34.95 29.26 1uht s ARG 14 CO 0.19 -1.23 0.86 -0.51 -0.81 0.00 0.00 175.30 173.80 1uht s LEU 15 N 1.25 4.13 -0.23 -0.88 1.43 -0.77 -1.85 118.68 121.76 1uht s LEU 15 Ca 0.07 -0.01 -0.11 0.00 -1.03 0.00 0.00 54.13 53.05 1uht s LEU 15 Cb -0.26 -3.07 -0.05 0.00 0.03 0.00 0.00 46.19 42.84 1uht s LEU 15 CO -0.01 -0.99 0.17 -0.69 0.23 0.00 0.00 176.35 175.06 1uht s VAL 16 N 3.53 5.36 -1.03 -1.59 1.01 0.57 -0.69 120.40 127.56 1uht s VAL 16 Ca 0.33 0.21 -0.20 0.00 0.00 0.00 0.00 61.98 62.33 1uht s VAL 16 Cb -0.11 -3.51 0.10 0.00 0.00 0.00 0.00 36.38 32.86 1uht s VAL 16 CO 0.24 0.36 1.34 -0.36 0.00 0.00 0.00 175.10 176.68 1uht s PHE 17 N 0.94 2.90 0.12 5.22 0.08 0.30 0.12 117.98 127.66 1uht s PHE 17 Ca 0.08 -1.28 0.14 0.00 0.12 0.00 0.00 56.93 55.99 1uht s PHE 17 Cb -0.13 -4.49 0.33 0.00 -0.57 0.00 0.00 43.02 38.16 1uht s PHE 17 CO 0.03 -1.68 1.57 -0.39 -0.10 0.00 0.00 175.22 174.66 1uht h VAL 18 N 6.05 1.16 -4.55 -0.44 -1.51 -1.65 0.89 116.25 116.20 1uht h VAL 18 Ca 0.22 -2.12 -0.30 0.00 -1.23 0.00 0.00 66.70 63.26 1uht h VAL 18 Cb 0.99 2.23 -0.13 0.00 -2.13 0.00 0.00 31.29 32.25 1uht h VAL 18 CO 1.28 0.55 -0.49 -0.54 -1.23 0.00 0.00 177.57 177.14 1uht s LYS 19 N -3.33 1.48 0.00 5.19 1.02 -0.94 -4.69 119.74 118.47 1uht s LYS 19 Ca 0.01 -1.73 0.00 0.00 0.02 0.00 0.00 55.97 54.27 1uht s LYS 19 Cb 0.11 0.32 0.00 0.00 -0.52 0.00 0.00 37.83 37.74 1uht s LYS 19 CO 0.74 -0.54 0.00 0.41 -0.92 0.00 0.00 175.35 175.04 1uht n GLY 20 N -0.42 -2.01 0.17 -3.33 0.00 0.14 -3.00 105.19 96.74 1uht n GLY 20 Ca 0.03 -2.08 0.13 0.00 0.00 0.00 0.00 46.02 44.11 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 0.28 0.00 -0.47 1.61 0.13 -1.88 -2.60 132.00 129.07 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 0.00 0.00 0.54 -0.23 0.00 0.00 178.00 178.31 1uht n ARG 22 N -2.55 2.51 -1.65 0.86 1.74 -1.26 -4.99 116.66 111.32 1uht n ARG 22 Ca 0.03 -2.32 -0.65 0.00 -0.77 0.00 0.00 57.85 54.15 1uht n ARG 22 Cb 0.36 -1.48 -0.10 0.00 -1.02 0.00 0.00 32.46 30.22 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 1.38 0.16 0.00 5.56 0.00 -0.98 -0.20 120.64 126.56 1uht n GLU 23 Ca 0.19 0.06 0.00 0.00 0.00 0.00 0.00 57.16 57.41 1uht n GLU 23 Cb 0.57 -1.60 0.00 0.00 0.00 0.00 0.00 31.44 30.42 1uht n GLU 23 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1uht n GLY 24 N 4.73 0.98 3.89 8.31 0.00 0.31 -4.98 105.19 118.43 1uht n GLY 24 Ca 0.35 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.16 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 -1.95 5.79 -0.22 1.61 1.11 0.72 -4.92 116.67 118.81 1uht s ASP 25 Ca 0.00 -0.17 -0.11 0.00 0.18 0.00 0.00 52.55 52.45 1uht s ASP 25 Cb 0.00 -1.47 0.08 0.00 1.07 0.00 0.00 42.92 42.60 1uht s ASP 25 CO 0.00 -0.13 0.52 0.00 1.18 0.00 0.00 175.17 176.74 1uht s ALA 26 N -2.11 -1.43 0.42 5.23 0.00 -1.26 0.11 121.76 122.72 1uht s ALA 26 Ca 0.36 1.88 0.07 0.00 0.00 0.00 0.00 51.96 54.26 1uht s ALA 26 Cb -0.08 -1.26 -0.05 0.00 0.00 0.00 0.00 23.12 21.73 1uht s ALA 26 CO 0.27 -0.49 0.20 -0.51 0.00 0.00 0.00 175.76 175.24 1uht s LEU 27 N 1.92 3.11 -0.13 0.00 1.43 0.13 -4.95 118.68 120.19 1uht s LEU 27 Ca -0.08 -1.07 -0.09 0.00 -1.03 0.00 0.00 54.13 51.87 1uht s LEU 27 Cb -0.09 -1.47 0.04 0.00 0.03 0.00 0.00 46.19 44.71 1uht s LEU 27 CO -0.16 -0.58 0.32 1.51 0.23 0.00 0.00 176.35 177.67 1uht s ASP 28 N -3.94 -0.35 0.04 2.29 -4.77 -1.25 -1.85 116.67 106.83 1uht s ASP 28 Ca 0.41 0.66 0.03 0.00 -3.30 0.00 0.00 52.55 50.34 1uht s ASP 28 Cb 0.03 0.60 -0.02 0.00 -1.09 0.00 0.00 42.92 42.44 1uht s ASP 28 CO 0.23 -0.15 -0.08 -0.31 0.70 0.00 0.00 175.17 175.56 1uht s TYR 29 N 0.79 0.73 0.87 2.11 1.51 -0.33 -4.95 117.35 118.08 1uht s TYR 29 Ca -0.05 -0.45 -0.11 0.00 -1.01 0.00 0.00 57.07 55.45 1uht s TYR 29 Cb -0.06 -0.43 0.11 0.00 -0.11 0.00 0.00 41.96 41.47 1uht s TYR 29 CO -0.05 -0.06 1.09 0.15 -1.11 0.00 0.00 175.55 175.57 1uht s LYS 30 N -1.43 1.51 0.21 -0.62 1.02 -1.26 -0.66 119.74 118.51 1uht s LYS 30 Ca -0.07 0.82 -0.30 0.00 0.02 0.00 0.00 55.97 56.44 1uht s LYS 30 Cb -0.09 -1.84 -0.08 0.00 -0.52 0.00 0.00 37.83 35.30 1uht s LYS 30 CO 0.01 -2.07 1.10 -1.25 -0.92 0.00 0.00 175.35 172.22 1uht s PRO 31 N -4.97 4.61 0.00 -1.68 0.04 -1.26 -3.10 135.00 128.63 1uht s PRO 31 Ca 0.63 1.76 0.00 0.00 0.04 0.00 0.00 61.00 63.42 1uht s PRO 31 Cb -0.17 -3.24 0.00 0.00 0.04 0.00 0.00 34.50 31.12 1uht s PRO 31 CO 0.56 0.12 0.00 0.41 0.04 0.00 0.00 177.00 178.13 1uht n GLY 32 N 1.76 0.62 3.19 0.56 0.00 -1.26 -5.03 105.19 105.03 1uht n GLY 32 Ca 0.01 -0.43 -0.37 0.00 0.00 0.00 0.00 46.02 45.23 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 -2.39 5.31 0.07 1.61 0.01 -1.18 -4.89 113.70 112.25 1uht s SER 33 Ca 0.00 -1.64 -0.31 0.00 1.31 0.00 0.00 55.95 55.31 1uht s SER 33 Cb 0.00 -1.86 -0.09 0.00 0.21 0.00 0.00 66.02 64.28 1uht s SER 33 CO 0.00 -0.47 1.85 -0.89 0.41 0.00 0.00 173.24 174.14 1uht s THR 34 N 1.27 2.83 -0.44 1.44 2.01 -1.26 -4.75 115.64 116.75 1uht s THR 34 Ca 0.03 0.13 -0.09 0.00 0.31 0.00 0.00 61.69 62.07 1uht s THR 34 Cb -0.22 -3.08 0.10 0.00 0.01 0.00 0.00 72.50 69.30 1uht s THR 34 CO -0.01 -0.00 0.28 -0.63 -0.69 0.00 0.00 174.62 173.57 1uht s ILE 35 N 3.44 4.15 -0.58 1.82 1.01 0.44 -4.90 121.20 126.58 1uht s ILE 35 Ca 0.82 -1.58 -0.25 0.00 0.00 0.00 0.00 60.65 59.64 1uht s ILE 35 Cb -0.43 -3.63 0.04 0.00 0.01 0.00 0.00 42.46 38.45 1uht s ILE 35 CO 0.37 -0.61 1.01 -0.13 0.00 0.00 0.00 174.94 175.58 1uht s ARG 36 N 1.38 3.34 -0.28 2.79 3.00 -1.26 0.90 118.95 128.82 1uht s ARG 36 Ca 0.04 -0.21 -0.18 0.00 0.00 0.00 0.00 55.73 55.38 1uht s ARG 36 Cb -0.24 -4.07 -0.02 0.00 0.00 0.00 0.00 34.95 30.62 1uht s ARG 36 CO 0.01 -1.59 0.52 0.08 0.00 0.00 0.00 175.30 174.31 1uht s VAL 37 N 4.27 5.05 0.00 3.52 1.01 -0.89 -0.20 120.40 133.15 1uht s VAL 37 Ca 0.32 0.77 0.00 0.00 0.00 0.00 0.00 61.98 63.07 1uht s VAL 37 Cb -0.12 -3.87 0.00 0.00 0.00 0.00 0.00 36.38 32.40 1uht s VAL 37 CO 0.19 0.01 0.00 0.61 0.00 0.00 0.00 175.10 175.91 1uht n GLY 38 N 4.48 5.42 0.06 4.51 0.00 0.15 -2.58 105.19 117.24 1uht n GLY 38 Ca -0.04 -1.30 -0.08 0.00 0.00 0.00 0.00 46.02 44.61 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 1.09 -3.62 1.61 0.63 -0.74 -1.26 116.66 114.37 1uht n ARG 39 Ca 0.00 0.05 -0.37 0.00 -0.92 0.00 0.00 57.85 56.61 1uht n ARG 39 Cb 0.00 -1.27 -0.07 0.00 0.45 0.00 0.00 32.46 31.57 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 -2.26 5.29 0.28 5.15 -4.36 -1.26 -3.80 121.20 120.23 1uht s ILE 40 Ca -0.13 0.53 -0.03 0.00 -0.26 0.00 0.00 60.65 60.75 1uht s ILE 40 Cb 0.04 -3.59 0.24 0.00 1.25 0.00 0.00 42.46 40.40 1uht s ILE 40 CO 0.36 0.50 1.93 -0.37 0.24 0.00 0.00 174.94 177.59 1uht h VAL 41 N 4.26 1.23 -1.65 8.37 -1.51 -1.90 -3.40 116.25 121.65 1uht h VAL 41 Ca -0.47 -0.49 -0.71 0.00 -1.23 0.00 0.00 66.70 63.80 1uht h VAL 41 Cb 1.19 0.04 0.01 0.00 -2.13 0.00 0.00 31.29 30.41 1uht h VAL 41 CO 0.68 0.24 0.97 0.54 -1.23 0.00 0.00 177.57 178.76 1uht n ARG 42 N -4.38 1.40 -3.49 5.19 1.74 -1.26 -2.05 116.66 113.82 1uht n ARG 42 Ca 0.09 0.51 -0.17 0.00 -0.77 0.00 0.00 57.85 57.51 1uht n ARG 42 Cb 0.06 -2.25 0.01 0.00 -1.02 0.00 0.00 32.46 29.26 1uht n ARG 42 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1uht n GLY 43 N 4.33 -1.21 3.63 -0.13 0.00 -1.26 -5.00 105.19 105.55 1uht n GLY 43 Ca 0.26 0.52 -0.00 0.00 0.00 0.00 0.00 46.02 46.80 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 -3.12 -0.32 0.32 1.61 0.01 -0.87 -4.99 114.94 107.58 1uht s ASN 44 Ca 0.13 0.51 0.06 0.00 -0.71 0.00 0.00 52.86 52.84 1uht s ASN 44 Cb -0.04 1.15 0.56 0.00 0.41 0.00 0.00 41.25 43.33 1uht s ASN 44 CO 0.83 -0.08 1.80 -0.33 -1.51 0.00 0.00 177.10 177.81 1uht h GLU 45 N 5.76 0.37 -4.00 -0.60 4.39 -0.87 -3.43 114.58 116.19 1uht h GLU 45 Ca -0.27 -0.12 -0.29 0.00 0.34 0.00 0.00 59.36 59.03 1uht h GLU 45 Cb 1.17 -0.03 -0.29 0.00 -0.10 0.00 0.00 28.75 29.50 1uht h GLU 45 CO 0.21 0.56 -0.74 0.42 -1.16 0.00 0.00 179.01 178.30 1uht s ILE 46 N -4.58 0.21 -0.08 3.13 1.01 -0.85 -4.95 121.20 115.10 1uht s ILE 46 Ca -0.06 -0.10 -0.01 0.00 0.00 0.00 0.00 60.65 60.48 1uht s ILE 46 Cb 0.14 -0.19 0.03 0.00 0.01 0.00 0.00 42.46 42.45 1uht s ILE 46 CO 0.77 0.07 -0.01 0.00 0.00 0.00 0.00 174.94 175.76 1uht s ALA 47 N 0.03 0.81 -0.13 9.38 0.00 -1.26 0.32 121.76 130.92 1uht s ALA 47 Ca 0.00 -0.20 -0.02 0.00 0.00 0.00 0.00 51.96 51.74 1uht s ALA 47 Cb -0.02 -0.77 -0.03 0.00 0.00 0.00 0.00 23.12 22.31 1uht s ALA 47 CO -0.00 -0.44 -0.07 0.42 0.00 0.00 0.00 175.76 175.67 1uht s ILE 48 N 1.89 3.66 -1.09 0.00 1.01 -0.38 -4.92 121.20 121.37 1uht s ILE 48 Ca 0.04 -0.46 -0.05 0.00 0.00 0.00 0.00 60.65 60.19 1uht s ILE 48 Cb -0.12 -2.56 0.30 0.00 0.01 0.00 0.00 42.46 40.09 1uht s ILE 48 CO -0.06 0.53 1.43 0.29 0.00 0.00 0.00 174.94 177.14 1uht n LYS 49 N 3.18 4.33 0.00 2.79 4.76 -1.26 -4.39 118.16 127.58 1uht n LYS 49 Ca -0.18 -4.53 0.00 0.00 -2.87 0.00 0.00 58.31 50.73 1uht n LYS 49 Cb 0.53 -2.52 0.00 0.00 -1.84 0.00 0.00 35.03 31.19 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 1.56 0.79 0.00 4.39 2.03 -1.26 -4.84 116.55 119.22 1uht n ASP 50 Ca 0.26 -0.91 0.00 0.00 0.52 0.00 0.00 54.79 54.66 1uht n ASP 50 Cb 0.34 0.16 0.00 0.00 -0.72 0.00 0.00 41.12 40.90 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 -0.16 0.00 -0.06 -1.67 0.00 -1.26 -4.54 120.51 112.81 1uht n ALA 51 Ca 0.00 0.00 0.24 0.00 0.00 0.00 0.00 53.44 53.68 1uht n ALA 51 Cb 0.01 0.00 0.54 0.00 0.00 0.00 0.00 19.45 20.00 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 -4.93 0.00 0.00 -1.93 -3.37 103.07 92.84 1uht h GLY 52 Ca 0.00 0.00 -0.61 0.00 0.00 0.00 0.00 47.33 46.72 1uht h GLY 52 CO 0.00 0.00 -0.25 -0.42 0.00 0.00 0.00 176.54 175.87 1uht s ILE 53 N -4.47 5.11 0.25 2.60 1.01 -1.26 -4.27 121.20 120.18 1uht s ILE 53 Ca -0.03 0.62 0.09 0.00 0.00 0.00 0.00 60.65 61.32 1uht s ILE 53 Cb 0.14 -3.65 -0.04 0.00 0.01 0.00 0.00 42.46 38.92 1uht s ILE 53 CO 0.47 0.48 0.04 -0.44 0.00 0.00 0.00 174.94 175.48 1uht s SER 54 N -1.33 4.77 0.15 3.58 0.01 -1.26 -4.60 113.70 115.02 1uht s SER 54 Ca 0.26 -0.54 -0.29 0.00 1.31 0.00 0.00 55.95 56.69 1uht s SER 54 Cb -0.15 -0.98 -0.07 0.00 0.21 0.00 0.00 66.02 65.04 1uht s SER 54 CO 0.14 0.00 1.47 0.35 0.41 0.00 0.00 173.24 175.61 1uht n THR 55 N -0.86 -0.64 -3.11 1.44 -2.24 -1.26 -1.56 114.28 106.06 1uht n THR 55 Ca -0.07 2.30 -0.37 0.00 -2.27 0.00 0.00 64.05 63.64 1uht n THR 55 Cb 0.58 -2.85 -0.02 0.00 -2.10 0.00 0.00 70.33 65.94 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 -5.14 3.85 0.08 -0.78 4.76 -1.26 -3.32 118.16 116.35 1uht n LYS 56 Ca 0.02 -4.62 -0.04 0.00 -2.87 0.00 0.00 58.31 50.80 1uht n LYS 56 Cb 0.24 -2.41 -0.02 0.00 -1.84 0.00 0.00 35.03 31.01 1uht n LYS 56 CO 0.00 0.00 0.00 1.25 -1.37 0.00 0.00 177.40 177.28 1uht h HIS 57 N 4.79 -0.22 -3.57 2.13 -0.00 -1.42 -3.44 115.15 113.43 1uht h HIS 57 Ca 0.22 -0.01 -0.05 0.00 -0.00 0.00 0.00 60.37 60.54 1uht h HIS 57 Cb 0.60 0.07 -0.08 0.00 -0.00 0.00 0.00 27.41 28.00 1uht h HIS 57 CO 0.93 -0.13 -0.06 -0.48 -0.00 0.00 0.00 177.93 178.19 1uht s LEU 58 N -5.91 0.27 0.01 0.26 0.05 -1.06 -2.32 118.68 109.99 1uht s LEU 58 Ca -0.03 -0.93 0.02 0.00 0.05 0.00 0.00 54.13 53.24 1uht s LEU 58 Cb 0.00 1.92 -0.01 0.00 -2.05 0.00 0.00 46.19 46.05 1uht s LEU 58 CO 0.10 -1.20 -0.07 0.00 -0.55 0.00 0.00 176.35 174.63 1uht s ARG 59 N -3.88 0.55 -0.08 1.48 1.70 -1.14 -2.09 118.95 115.48 1uht s ARG 59 Ca 0.21 -0.41 -0.00 0.00 -0.47 0.00 0.00 55.73 55.06 1uht s ARG 59 Cb -0.02 -0.48 -0.03 0.00 -0.57 0.00 0.00 34.95 33.86 1uht s ARG 59 CO 0.10 0.12 -0.04 0.42 -1.08 0.00 0.00 175.30 174.81 1uht s ILE 60 N -0.53 3.92 0.11 4.99 1.01 0.26 -3.14 121.20 127.81 1uht s ILE 60 Ca -0.01 -0.39 -0.10 0.00 0.00 0.00 0.00 60.65 60.15 1uht s ILE 60 Cb -0.05 -2.63 0.00 0.00 0.01 0.00 0.00 42.46 39.80 1uht s ILE 60 CO 0.00 0.59 0.25 -1.83 0.00 0.00 0.00 174.94 173.95 1uht s GLU 61 N -0.76 0.93 -0.02 2.79 1.03 -0.96 0.16 118.70 121.88 1uht s GLU 61 Ca 0.12 -0.94 0.06 0.00 0.03 0.00 0.00 54.97 54.24 1uht s GLU 61 Cb -0.11 0.37 -0.03 0.00 -0.80 0.00 0.00 34.13 33.57 1uht s GLU 61 CO 0.02 -0.32 -0.20 0.45 -1.33 0.00 0.00 175.26 173.88 1uht s SER 62 N -2.86 3.58 0.00 0.83 0.15 -1.26 -0.29 113.70 113.84 1uht s SER 62 Ca 0.06 -0.36 0.00 0.00 0.70 0.00 0.00 55.95 56.35 1uht s SER 62 Cb 0.04 -0.59 0.00 0.00 -1.71 0.00 0.00 66.02 63.76 1uht s SER 62 CO -0.10 0.32 0.00 -0.67 1.20 0.00 0.00 173.24 173.99 1uht n ASP 63 N 2.19 0.40 -4.51 5.45 2.03 0.23 -4.73 116.55 117.60 1uht n ASP 63 Ca -0.17 0.00 -0.29 0.00 0.52 0.00 0.00 54.79 54.85 1uht n ASP 63 Cb 0.52 0.00 -0.16 0.00 -0.72 0.00 0.00 41.12 40.76 1uht n ASP 63 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 1uht n SER 64 N 0.00 -0.05 -4.11 1.67 7.64 -1.26 -1.45 113.62 116.05 1uht n SER 64 Ca 0.00 -0.38 -0.29 0.00 1.01 0.00 0.00 58.87 59.21 1uht n SER 64 Cb 0.00 -0.92 -0.09 0.00 -1.01 0.00 0.00 64.21 62.20 1uht n SER 64 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1uht n GLY 65 N 6.08 -0.14 3.55 0.23 0.00 -1.26 -4.88 105.19 108.78 1uht n GLY 65 Ca 0.62 0.15 -0.09 0.00 0.00 0.00 0.00 46.02 46.69 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 -4.07 -0.28 0.03 1.61 -0.87 -0.53 -4.81 114.94 106.03 1uht s ASN 66 Ca 0.09 -0.48 0.06 0.00 -1.57 0.00 0.00 52.86 50.96 1uht s ASN 66 Cb -0.05 0.60 -0.03 0.00 -0.02 0.00 0.00 41.25 41.74 1uht s ASN 66 CO 0.88 -1.08 -0.14 0.26 -2.57 0.00 0.00 177.10 174.45 1uht s TRP 67 N -3.88 2.68 0.03 2.20 0.52 -1.26 0.74 118.94 119.97 1uht s TRP 67 Ca 0.09 -0.18 -0.04 0.00 0.02 0.00 0.00 56.10 55.99 1uht s TRP 67 Cb -0.02 -1.51 -0.01 0.00 -1.15 0.00 0.00 33.47 30.78 1uht s TRP 67 CO -0.02 0.31 0.06 0.14 0.02 0.00 0.00 176.95 177.46 1uht s VAL 68 N -0.97 0.12 0.07 4.03 -7.23 0.60 -0.40 120.40 116.61 1uht s VAL 68 Ca 0.16 -0.99 0.08 0.00 -1.81 0.00 0.00 61.98 59.41 1uht s VAL 68 Cb -0.11 -0.65 -0.03 0.00 0.56 0.00 0.00 36.38 36.15 1uht s VAL 68 CO 0.07 -0.55 -0.21 -0.51 -0.31 0.00 0.00 175.10 173.59 1uht s ILE 69 N -2.09 1.72 -0.06 -0.62 2.07 0.54 -2.28 121.20 120.50 1uht s ILE 69 Ca -0.10 -1.36 -0.02 0.00 -1.41 0.00 0.00 60.65 57.76 1uht s ILE 69 Cb -0.04 -1.53 0.04 0.00 0.13 0.00 0.00 42.46 41.06 1uht s ILE 69 CO -0.02 0.10 0.11 -1.58 -1.91 0.00 0.00 174.94 171.64 1uht s GLN 70 N -1.49 0.03 -0.45 3.50 0.74 -1.19 -2.39 119.66 118.41 1uht s GLN 70 Ca 0.07 0.36 -0.25 0.00 0.05 0.00 0.00 55.36 55.60 1uht s GLN 70 Cb -0.09 -0.25 0.03 0.00 1.10 0.00 0.00 33.01 33.79 1uht s GLN 70 CO 0.03 -0.21 0.89 0.34 -0.55 0.00 0.00 175.29 175.79 1uht s ASP 71 N 1.46 6.49 -0.65 6.67 2.15 -1.25 -2.89 116.67 128.65 1uht s ASP 71 Ca -0.05 0.10 -0.07 0.00 0.43 0.00 0.00 52.55 52.96 1uht s ASP 71 Cb -0.12 -2.43 -0.15 0.00 -0.30 0.00 0.00 42.92 39.91 1uht s ASP 71 CO -0.05 -1.00 2.90 0.18 -0.17 0.00 0.00 175.17 177.03 1uht n LEU 72 N 7.02 5.81 -3.38 -1.34 4.32 -0.98 -3.74 117.00 124.70 1uht n LEU 72 Ca 0.05 -3.26 -0.17 0.00 -0.02 0.00 0.00 56.01 52.61 1uht n LEU 72 Cb 0.48 -1.28 0.00 0.00 -1.62 0.00 0.00 43.42 41.00 1uht n LEU 72 CO 0.62 1.44 -0.14 0.61 -1.22 0.00 0.00 177.39 178.70 1uht n GLY 73 N 3.09 -0.70 2.05 -0.72 0.00 -1.26 -4.69 105.19 102.95 1uht n GLY 73 Ca 0.50 0.32 -0.14 0.00 0.00 0.00 0.00 46.02 46.71 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 -1.22 5.38 -3.89 1.61 3.41 -1.24 -4.71 113.62 112.96 1uht n SER 74 Ca -0.17 -2.55 -0.26 0.00 -0.26 0.00 0.00 58.87 55.63 1uht n SER 74 Cb 0.39 -1.40 -0.05 0.00 -0.26 0.00 0.00 64.21 62.88 1uht n SER 74 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1uht n SER 75 N 2.36 -0.28 0.00 4.04 2.88 -1.26 -4.16 113.62 117.20 1uht n SER 75 Ca 0.44 -0.96 0.00 0.00 -1.33 0.00 0.00 58.87 57.02 1uht n SER 75 Cb 0.88 -1.18 0.00 0.00 -0.75 0.00 0.00 64.21 63.16 1uht n SER 75 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 1uht n ASN 76 N -1.88 -0.04 0.00 -3.46 3.02 -1.26 -5.16 115.26 106.48 1uht n ASN 76 Ca -0.20 0.42 0.00 0.00 -0.03 0.00 0.00 54.58 54.77 1uht n ASN 76 Cb 0.49 0.46 0.00 0.00 -0.61 0.00 0.00 39.78 40.12 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 -1.09 2.81 3.56 7.41 0.00 -1.26 -5.07 105.19 111.54 1uht n GLY 77 Ca 0.00 -1.99 -0.33 0.00 0.00 0.00 0.00 46.02 43.70 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 -2.80 3.50 -0.07 2.61 2.01 -1.26 -4.74 115.64 114.88 1uht s THR 78 Ca 0.00 -0.64 -0.01 0.00 0.31 0.00 0.00 61.69 61.35 1uht s THR 78 Cb 0.00 -2.44 -0.03 0.00 0.01 0.00 0.00 72.50 70.04 1uht s THR 78 CO 0.00 0.54 -0.01 -0.76 -0.69 0.00 0.00 174.62 173.69 1uht s LEU 79 N -0.97 3.49 -0.25 4.42 1.43 -0.94 0.19 118.68 126.06 1uht s LEU 79 Ca 0.13 0.10 0.00 0.00 -1.03 0.00 0.00 54.13 53.33 1uht s LEU 79 Cb -0.11 -1.81 0.07 0.00 0.03 0.00 0.00 46.19 44.37 1uht s LEU 79 CO 0.03 0.37 -0.01 -0.22 0.23 0.00 0.00 176.35 176.74 1uht s LEU 80 N -0.94 2.54 0.00 1.79 2.96 0.10 -1.45 118.68 123.68 1uht s LEU 80 Ca 0.14 -1.29 0.00 0.00 -0.22 0.00 0.00 54.13 52.76 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 0.03 -0.28 0.00 0.59 -1.32 0.00 0.00 176.35 175.36 1uht n ASN 81 N 4.71 0.00 -2.71 3.68 3.02 0.79 -2.33 115.26 122.42 1uht n ASN 81 Ca -0.09 0.00 -0.07 0.00 -0.03 0.00 0.00 54.58 54.39 1uht n ASN 81 Cb 0.44 0.00 0.09 0.00 -0.61 0.00 0.00 39.78 39.70 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 1.31 -1.99 -3.64 6.41 7.64 -1.26 -4.92 113.62 117.16 1uht n SER 82 Ca 0.00 -2.97 -0.06 0.00 1.01 0.00 0.00 58.87 56.86 1uht n SER 82 Cb 0.00 1.51 -0.07 0.00 -1.01 0.00 0.00 64.21 64.64 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 -1.04 -0.40 -0.26 6.43 3.84 -0.98 -5.13 114.94 117.40 1uht s ASN 83 Ca 0.20 0.73 -0.29 0.00 0.21 0.00 0.00 52.86 53.71 1uht s ASN 83 Cb 0.31 0.88 0.01 0.00 -0.55 0.00 0.00 41.25 41.90 1uht s ASN 83 CO -0.08 -0.12 1.06 0.00 -2.79 0.00 0.00 177.10 175.17 1uht s ALA 84 N 0.57 3.62 1.08 1.71 0.00 -1.26 0.03 121.76 127.51 1uht s ALA 84 Ca -0.00 0.10 -0.13 0.00 0.00 0.00 0.00 51.96 51.93 1uht s ALA 84 Cb -0.04 -3.60 0.23 0.00 0.00 0.00 0.00 23.12 19.71 1uht s ALA 84 CO -0.10 -1.21 1.06 -0.51 0.00 0.00 0.00 175.76 175.00 1uht s LEU 85 N 3.37 1.25 0.05 0.00 1.43 0.52 -4.96 118.68 120.33 1uht s LEU 85 Ca 0.45 1.37 0.08 0.00 -1.03 0.00 0.00 54.13 54.99 1uht s LEU 85 Cb -0.14 -3.42 -0.03 0.00 0.03 0.00 0.00 46.19 42.62 1uht s LEU 85 CO 0.09 -3.65 -0.21 -0.62 0.23 0.00 0.00 176.35 172.19 1uht s ASP 86 N -2.99 3.59 0.26 2.29 2.15 -1.26 -4.52 116.67 116.19 1uht s ASP 86 Ca 0.67 -0.50 0.12 0.00 0.43 0.00 0.00 52.55 53.26 1uht s ASP 86 Cb -0.22 -0.49 0.25 0.00 -0.30 0.00 0.00 42.92 42.17 1uht s ASP 86 CO 0.61 0.25 1.54 1.55 -0.17 0.00 0.00 175.17 178.95 1uht h PRO 87 N 4.53 0.00 -0.42 4.34 0.13 -1.97 -2.89 132.00 135.71 1uht h PRO 87 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1uht h PRO 87 Cb 1.15 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.28 1uht h PRO 87 CO 0.46 0.65 0.00 0.39 -0.23 0.00 0.00 178.00 179.27 1uht n GLU 88 N -3.58 2.27 -4.12 0.86 1.02 -1.26 -4.73 120.64 111.10 1uht n GLU 88 Ca -0.00 -1.95 -0.17 0.00 -0.02 0.00 0.00 57.16 55.02 1uht n GLU 88 Cb 0.69 -1.46 -0.15 0.00 -0.02 0.00 0.00 31.44 30.49 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 -1.44 0.39 -0.15 2.62 2.01 -1.09 -5.14 115.64 112.84 1uht s THR 89 Ca 0.37 -0.14 -0.01 0.00 0.31 0.00 0.00 61.69 62.22 1uht s THR 89 Cb 0.20 -0.38 -0.01 0.00 0.01 0.00 0.00 72.50 72.33 1uht s THR 89 CO 0.28 0.14 -0.12 -0.55 -0.69 0.00 0.00 174.62 173.68 1uht s SER 90 N 0.31 3.98 0.10 3.53 0.15 -1.26 -4.08 113.70 116.43 1uht s SER 90 Ca -0.03 -0.37 0.03 0.00 0.70 0.00 0.00 55.95 56.28 1uht s SER 90 Cb -0.07 -1.62 -0.04 0.00 -1.71 0.00 0.00 66.02 62.58 1uht s SER 90 CO -0.00 0.12 0.13 -0.69 1.20 0.00 0.00 173.24 173.99 1uht s VAL 91 N 0.63 4.74 -0.40 4.45 1.01 -1.01 -4.91 120.40 124.90 1uht s VAL 91 Ca -0.07 -0.76 -0.24 0.00 0.00 0.00 0.00 61.98 60.92 1uht s VAL 91 Cb -0.15 -3.33 0.02 0.00 0.00 0.00 0.00 36.38 32.92 1uht s VAL 91 CO 0.03 0.06 0.83 0.20 0.00 0.00 0.00 175.10 176.22 1uht s ASN 92 N -2.62 6.52 1.02 3.32 0.01 -1.26 -0.34 114.94 121.60 1uht s ASN 92 Ca 0.31 0.23 -0.16 0.00 -0.71 0.00 0.00 52.86 52.52 1uht s ASN 92 Cb -0.12 -2.41 0.03 0.00 0.41 0.00 0.00 41.25 39.15 1uht s ASN 92 CO 0.24 -0.86 -0.00 0.18 -1.51 0.00 0.00 177.10 175.15 1uht n LEU 93 N 6.69 -1.79 -3.81 0.60 4.77 0.47 -4.91 117.00 119.02 1uht n LEU 93 Ca 0.04 0.12 -0.11 0.00 -0.03 0.00 0.00 56.01 56.04 1uht n LEU 93 Cb 0.48 -1.02 -0.08 0.00 -2.33 0.00 0.00 43.42 40.47 1uht n LEU 93 CO 0.58 -3.61 -0.05 -0.83 -1.33 0.00 0.00 177.39 172.15 1uht s GLY 94 N -1.78 -0.02 -0.20 -0.72 0.00 -1.26 -4.73 107.32 98.60 1uht s GLY 94 Ca 0.53 -0.16 -0.29 0.00 0.00 0.00 0.00 44.72 44.80 1uht s GLY 94 CO 0.68 -0.35 1.77 -0.35 0.00 0.00 0.00 173.10 174.85 1uht s ASP 95 N -2.04 6.19 0.00 1.64 2.15 -1.26 -1.51 116.67 121.84 1uht s ASP 95 Ca -0.06 1.75 0.00 0.00 0.43 0.00 0.00 52.55 54.67 1uht s ASP 95 Cb -0.01 -2.53 0.00 0.00 -0.30 0.00 0.00 42.92 40.08 1uht s ASP 95 CO -0.03 -1.39 0.00 0.61 -0.17 0.00 0.00 175.17 174.18 1uht n GLY 96 N 4.91 1.08 3.68 2.66 0.00 0.48 -4.98 105.19 113.01 1uht n GLY 96 Ca 0.21 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.83 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 6.79 -0.23 1.61 1.11 -0.57 -4.82 116.67 118.57 1uht s ASP 97 Ca 0.00 0.97 -0.14 0.00 0.18 0.00 0.00 52.55 53.56 1uht s ASP 97 Cb 0.00 -2.38 -0.04 0.00 1.07 0.00 0.00 42.92 41.57 1uht s ASP 97 CO 0.00 -0.25 0.31 -0.69 1.18 0.00 0.00 175.17 175.72 1uht s VAL 98 N 1.67 5.25 -0.42 -1.27 1.01 -1.26 -0.12 120.40 125.26 1uht s VAL 98 Ca 0.32 0.50 -0.12 0.00 0.00 0.00 0.00 61.98 62.68 1uht s VAL 98 Cb -0.16 -3.64 0.06 0.00 0.00 0.00 0.00 36.38 32.63 1uht s VAL 98 CO 0.12 0.26 0.28 -0.63 0.00 0.00 0.00 175.10 175.14 1uht s ILE 99 N 1.40 4.62 -0.50 2.22 1.01 0.53 -0.15 121.20 130.34 1uht s ILE 99 Ca 0.14 -1.14 -0.17 0.00 0.00 0.00 0.00 60.65 59.47 1uht s ILE 99 Cb -0.15 -3.73 0.07 0.00 0.01 0.00 0.00 42.46 38.66 1uht s ILE 99 CO 0.07 -0.45 0.52 -0.54 0.00 0.00 0.00 174.94 174.55 1uht s LYS 100 N 1.52 3.05 0.23 2.79 1.02 -0.53 0.38 119.74 128.21 1uht s LYS 100 Ca 0.03 -1.14 0.08 0.00 0.02 0.00 0.00 55.97 54.96 1uht s LYS 100 Cb -0.22 -4.13 -0.05 0.00 -0.52 0.00 0.00 37.83 32.91 1uht s LYS 100 CO 0.05 -1.15 -0.12 -0.48 -0.92 0.00 0.00 175.35 172.73 1uht s LEU 101 N 2.16 2.53 0.00 3.17 2.34 0.42 -2.22 118.68 127.08 1uht s LEU 101 Ca 0.10 -1.08 0.00 0.00 0.06 0.00 0.00 54.13 53.21 1uht s LEU 101 Cb -0.22 -0.68 0.00 0.00 -0.56 0.00 0.00 46.19 44.73 1uht s LEU 101 CO 0.09 -0.22 0.00 0.61 -1.06 0.00 0.00 176.35 175.77 1uht n GLY 102 N -0.46 1.44 0.13 -3.48 0.00 -1.26 -2.65 105.19 98.92 1uht n GLY 102 Ca -0.07 -0.52 -0.04 0.00 0.00 0.00 0.00 46.02 45.38 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 12.71 0.25 -2.57 1.61 1.02 -1.26 -4.84 120.64 127.57 1uht n GLU 103 Ca 0.00 0.10 -0.16 0.00 -0.02 0.00 0.00 57.16 57.08 1uht n GLU 103 Cb 0.00 -0.93 0.02 0.00 -0.02 0.00 0.00 31.44 30.51 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 -3.49 2.11 -4.03 -0.32 4.01 -1.26 -5.04 117.16 109.14 1uht n TYR 104 Ca -0.07 -2.86 -0.34 0.00 -0.16 0.00 0.00 57.90 54.48 1uht n TYR 104 Cb 0.25 -0.25 -0.15 0.00 -0.31 0.00 0.00 39.34 38.88 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 -4.17 2.57 -0.07 -0.72 2.01 -1.09 0.27 115.64 114.45 1uht s THR 105 Ca 0.36 -0.87 0.05 0.00 0.31 0.00 0.00 61.69 61.54 1uht s THR 105 Cb 0.43 -2.17 -0.01 0.00 0.01 0.00 0.00 72.50 70.76 1uht s THR 105 CO -0.05 0.42 -0.23 -0.44 -0.69 0.00 0.00 174.62 173.62 1uht s SER 106 N 1.34 2.86 -0.12 3.53 0.01 -1.16 -0.43 113.70 119.72 1uht s SER 106 Ca 0.04 -0.49 0.03 0.00 1.31 0.00 0.00 55.95 56.84 1uht s SER 106 Cb -0.14 -0.94 0.01 0.00 0.21 0.00 0.00 66.02 65.15 1uht s SER 106 CO -0.08 0.20 -0.22 -0.63 0.41 0.00 0.00 173.24 172.92 1uht s ILE 107 N 0.03 1.98 -0.08 1.44 1.01 0.16 -1.87 121.20 123.87 1uht s ILE 107 Ca -0.08 -0.95 -0.12 0.00 0.00 0.00 0.00 60.65 59.50 1uht s ILE 107 Cb -0.15 -1.74 -0.05 0.00 0.01 0.00 0.00 42.46 40.54 1uht s ILE 107 CO 0.05 0.54 0.29 -0.22 0.00 0.00 0.00 174.94 175.60 1uht s LEU 108 N 0.64 4.38 -0.27 2.97 2.96 0.33 0.20 118.68 129.90 1uht s LEU 108 Ca -0.12 0.68 -0.10 0.00 -0.22 0.00 0.00 54.13 54.37 1uht s LEU 108 Cb -0.16 -2.37 -0.05 0.00 0.50 0.00 0.00 46.19 44.11 1uht s LEU 108 CO 0.02 0.28 0.16 -0.69 -1.32 0.00 0.00 176.35 174.81 1uht s VAL 109 N -0.59 5.16 -0.10 1.68 1.01 0.83 -0.31 120.40 128.06 1uht s VAL 109 Ca 0.19 0.12 0.00 0.00 0.00 0.00 0.00 61.98 62.29 1uht s VAL 109 Cb -0.14 -3.44 0.02 0.00 0.00 0.00 0.00 36.38 32.82 1uht s VAL 109 CO 0.08 0.29 -0.09 0.20 0.00 0.00 0.00 175.10 175.57 1uht s ASN 110 N 1.57 2.08 -0.44 3.32 0.02 -0.77 0.18 114.94 120.91 1uht s ASN 110 Ca 0.07 -0.31 -0.26 0.00 -1.02 0.00 0.00 52.86 51.33 1uht s ASN 110 Cb -0.15 -0.85 0.02 0.00 0.02 0.00 0.00 41.25 40.29 1uht s ASN 110 CO 0.08 -0.07 0.98 -0.36 0.02 0.00 0.00 177.10 177.75 1uht s PHE 111 N 1.40 2.95 -0.14 2.20 0.08 -1.26 -2.02 117.98 121.18 1uht s PHE 111 Ca -0.01 0.59 -0.18 0.00 0.12 0.00 0.00 56.93 57.46 1uht s PHE 111 Cb -0.13 -3.99 -0.04 0.00 -0.57 0.00 0.00 43.02 38.29 1uht s PHE 111 CO -0.05 -1.06 0.46 0.14 -0.10 0.00 0.00 175.22 174.62 1uht s VAL 112 N 3.84 5.18 -0.74 -0.44 -7.23 -1.00 -4.92 120.40 115.10 1uht s VAL 112 Ca 0.40 0.91 -0.22 0.00 -1.81 0.00 0.00 61.98 61.26 1uht s VAL 112 Cb -0.10 -3.80 0.08 0.00 0.56 0.00 0.00 36.38 33.12 1uht s VAL 112 CO 0.25 0.30 1.04 -0.44 -0.31 0.00 0.00 175.10 175.94 1uht s SER 113 N 0.73 6.29 0.76 4.85 0.01 -1.26 -1.14 113.70 123.94 1uht s SER 113 Ca 0.24 -1.22 0.00 0.00 1.31 0.00 0.00 55.95 56.29 1uht s SER 113 Cb -0.15 -2.43 0.00 0.00 0.21 0.00 0.00 66.02 63.65 1uht s SER 113 CO 0.09 -1.38 0.00 0.61 0.41 0.00 0.00 173.24 172.97 1uht n GLY 114 N 5.45 0.31 0.16 3.44 0.00 -1.26 -4.02 105.19 109.27 1uht n GLY 114 Ca 0.04 -0.81 -0.17 0.00 0.00 0.00 0.00 46.02 45.07 1uht n GLY 114 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1uht h PRO 115 N 0.00 0.52 -2.19 1.61 0.13 -1.93 -3.46 132.00 126.67 1uht h PRO 115 Ca 0.00 -0.50 0.01 0.00 -0.87 0.00 0.00 66.00 64.64 1uht h PRO 115 Cb 0.00 0.13 -0.23 0.00 0.13 0.00 0.00 31.00 31.03 1uht h PRO 115 CO 0.00 1.13 -0.20 -1.12 -0.23 0.00 0.00 178.00 177.59 1uht s SER 116 N -6.84 -0.82 -0.40 1.44 0.01 -1.26 -5.12 113.70 100.71 1uht s SER 116 Ca -0.12 1.35 -0.28 0.00 1.31 0.00 0.00 55.95 58.21 1uht s SER 116 Cb 0.05 1.82 0.02 0.00 0.21 0.00 0.00 66.02 68.13 1uht s SER 116 CO 0.85 -0.22 1.08 -0.44 0.41 0.00 0.00 173.24 174.91 1uht s SER 117 N 2.58 6.75 0.00 2.44 0.01 -1.26 -4.99 113.70 119.23 1uht s SER 117 Ca -0.05 0.69 0.29 0.00 1.31 0.00 0.00 55.95 58.18 1uht s SER 117 Cb -0.11 -2.53 1.26 0.00 0.21 0.00 0.00 66.02 64.84 1uht s SER 117 CO -0.17 -1.05 1.86 0.61 0.41 0.00 0.00 173.24 174.90