#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 -0.23 0.63 1.61 0.15 -1.26 -5.11 113.70 109.49 1uht s SER 2 Ca 0.00 0.46 0.00 0.00 0.70 0.00 0.00 55.95 57.11 1uht s SER 2 Cb 0.00 0.42 0.00 0.00 -1.71 0.00 0.00 66.02 64.73 1uht s SER 2 CO 0.00 -0.11 0.00 -1.20 1.20 0.00 0.00 173.24 173.13 1uht n SER 3 N 3.40 -8.34 -4.78 5.45 7.64 -1.26 -4.86 113.62 110.87 1uht n SER 3 Ca -0.17 1.69 -0.32 0.00 1.01 0.00 0.00 58.87 61.08 1uht n SER 3 Cb 0.56 -5.19 0.06 0.00 -1.01 0.00 0.00 64.21 58.63 1uht n SER 3 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1uht s GLY 4 N -6.59 1.93 -0.55 0.23 0.00 -1.26 -5.00 107.32 96.08 1uht s GLY 4 Ca 0.00 0.38 -0.12 0.00 0.00 0.00 0.00 44.72 44.98 1uht s GLY 4 CO 0.00 0.73 0.47 -1.35 0.00 0.00 0.00 173.10 172.94 1uht s SER 5 N -3.01 6.01 -0.19 1.64 1.04 -1.26 -5.03 113.70 112.90 1uht s SER 5 Ca 0.64 -2.00 -0.41 0.00 0.48 0.00 0.00 55.95 54.65 1uht s SER 5 Cb -0.18 -2.11 -0.18 0.00 0.10 0.00 0.00 66.02 63.65 1uht s SER 5 CO 0.47 -0.73 1.47 -1.54 0.98 0.00 0.00 173.24 173.89 1uht n SER 6 N 4.87 1.38 0.00 7.02 3.41 -1.26 -4.75 113.62 124.29 1uht n SER 6 Ca -0.07 1.13 0.00 0.00 -0.26 0.00 0.00 58.87 59.67 1uht n SER 6 Cb 0.41 -1.04 0.00 0.00 -0.26 0.00 0.00 64.21 63.32 1uht n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1uht n GLY 7 N 3.16 1.48 2.91 5.00 0.00 -1.26 -5.16 105.19 111.32 1uht n GLY 7 Ca 0.24 0.16 -0.13 0.00 0.00 0.00 0.00 46.02 46.29 1uht n GLY 7 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1uht s MET 8 N 4.33 0.07 0.33 1.61 -2.45 -1.26 -5.10 119.30 116.83 1uht s MET 8 Ca 0.00 0.24 0.03 0.00 -1.25 0.00 0.00 55.69 54.71 1uht s MET 8 Cb 0.00 -0.11 -0.04 0.00 1.25 0.00 0.00 34.83 35.93 1uht s MET 8 CO 0.00 -0.11 0.11 0.14 1.05 0.00 0.00 175.02 176.21 1uht s VAL 9 N 0.73 0.69 -0.48 10.11 -7.23 -1.26 -5.07 120.40 117.89 1uht s VAL 9 Ca -0.06 -2.00 -0.45 0.00 -1.81 0.00 0.00 61.98 57.66 1uht s VAL 9 Cb -0.08 -2.57 -0.19 0.00 0.56 0.00 0.00 36.38 34.11 1uht s VAL 9 CO -0.03 0.00 1.61 0.41 -0.31 0.00 0.00 175.10 176.78 1uht n THR 10 N -0.69 0.00 -2.51 5.32 -1.04 -1.26 -4.85 114.28 109.25 1uht n THR 10 Ca -0.02 0.00 -0.40 0.00 -2.04 0.00 0.00 64.05 61.59 1uht n THR 10 Cb 0.66 -0.48 -0.04 0.00 -1.82 0.00 0.00 70.33 68.64 1uht n THR 10 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 1uht s PRO 11 N 3.28 4.62 0.68 -2.82 0.04 -1.26 -4.68 135.00 134.87 1uht s PRO 11 Ca 1.03 1.74 -0.17 0.00 0.04 0.00 0.00 61.00 63.64 1uht s PRO 11 Cb -1.44 -3.14 0.00 0.00 0.04 0.00 0.00 34.50 29.96 1uht s PRO 11 CO 0.77 0.21 1.17 0.43 0.04 0.00 0.00 177.00 179.62 1uht n SER 12 N 1.10 1.42 -4.53 6.66 7.64 -0.56 -4.65 113.62 120.70 1uht n SER 12 Ca -0.01 0.76 -0.43 0.00 1.01 0.00 0.00 58.87 60.20 1uht n SER 12 Cb 0.45 -1.50 -0.06 0.00 -1.01 0.00 0.00 64.21 62.09 1uht n SER 12 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 1uht s LEU 13 N -4.01 4.39 -0.39 -3.43 0.20 -0.36 -2.36 118.68 112.73 1uht s LEU 13 Ca 0.79 -0.22 -0.10 0.00 0.69 0.00 0.00 54.13 55.29 1uht s LEU 13 Cb -0.36 -2.82 0.04 0.00 -0.43 0.00 0.00 46.19 42.62 1uht s LEU 13 CO 0.45 -0.82 0.22 -0.60 -0.29 0.00 0.00 176.35 175.31 1uht s ARG 14 N 2.98 2.75 -0.42 1.98 3.52 -0.97 -1.70 118.95 127.10 1uht s ARG 14 Ca 0.25 -1.19 -0.20 0.00 -0.13 0.00 0.00 55.73 54.47 1uht s ARG 14 Cb -0.13 -3.73 0.02 0.00 -1.56 0.00 0.00 34.95 29.54 1uht s ARG 14 CO 0.20 -0.77 0.59 -0.51 -0.81 0.00 0.00 175.30 174.00 1uht s LEU 15 N 1.51 4.54 -0.23 -0.88 1.43 -0.75 -2.10 118.68 122.19 1uht s LEU 15 Ca 0.02 -0.35 -0.10 0.00 -1.03 0.00 0.00 54.13 52.67 1uht s LEU 15 Cb -0.20 -2.65 -0.05 0.00 0.03 0.00 0.00 46.19 43.32 1uht s LEU 15 CO 0.05 -0.70 0.14 -0.69 0.23 0.00 0.00 176.35 175.38 1uht s VAL 16 N 2.63 5.15 -1.02 -1.59 1.01 -0.49 -0.60 120.40 125.50 1uht s VAL 16 Ca 0.20 0.11 -0.20 0.00 0.00 0.00 0.00 61.98 62.09 1uht s VAL 16 Cb -0.15 -3.39 0.10 0.00 0.00 0.00 0.00 36.38 32.94 1uht s VAL 16 CO 0.17 0.36 1.33 -0.36 0.00 0.00 0.00 175.10 176.60 1uht s PHE 17 N 1.05 2.91 0.21 5.22 0.08 0.19 0.25 117.98 127.88 1uht s PHE 17 Ca 0.07 -1.29 0.08 0.00 0.12 0.00 0.00 56.93 55.91 1uht s PHE 17 Cb -0.14 -4.48 0.11 0.00 -0.57 0.00 0.00 43.02 37.95 1uht s PHE 17 CO 0.04 -1.67 1.47 -0.39 -0.10 0.00 0.00 175.22 174.57 1uht h VAL 18 N 6.05 1.55 -4.39 -0.44 -1.51 -1.65 1.08 116.25 116.93 1uht h VAL 18 Ca 0.21 -2.64 -0.29 0.00 -1.23 0.00 0.00 66.70 62.75 1uht h VAL 18 Cb 0.99 2.43 -0.15 0.00 -2.13 0.00 0.00 31.29 32.43 1uht h VAL 18 CO 1.27 0.76 -0.60 -0.54 -1.23 0.00 0.00 177.57 177.22 1uht s LYS 19 N -3.25 1.31 0.00 5.19 1.02 -0.98 -4.64 119.74 118.39 1uht s LYS 19 Ca -0.01 -1.71 0.00 0.00 0.02 0.00 0.00 55.97 54.28 1uht s LYS 19 Cb 0.11 0.13 0.00 0.00 -0.52 0.00 0.00 37.83 37.56 1uht s LYS 19 CO 0.79 -0.39 0.00 0.41 -0.92 0.00 0.00 175.35 175.24 1uht n GLY 20 N -0.36 -1.50 0.21 -3.33 0.00 0.34 -2.93 105.19 97.62 1uht n GLY 20 Ca 0.02 -2.08 0.10 0.00 0.00 0.00 0.00 46.02 44.06 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 0.80 0.00 -0.29 1.61 0.13 -1.90 -2.71 132.00 129.64 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 0.21 0.00 0.54 -0.23 0.00 0.00 178.00 178.52 1uht n ARG 22 N -3.25 2.17 -1.51 0.86 1.74 -1.26 -4.96 116.66 110.44 1uht n ARG 22 Ca 0.01 -1.76 -0.64 0.00 -0.77 0.00 0.00 57.85 54.70 1uht n ARG 22 Cb 0.50 -1.46 -0.11 0.00 -1.02 0.00 0.00 32.46 30.38 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 0.99 0.00 0.00 5.56 0.00 -1.02 0.09 120.64 126.25 1uht n GLU 23 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.34 1uht n GLU 23 Cb 0.48 -1.47 0.00 0.00 0.00 0.00 0.00 31.44 30.45 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 5.39 1.04 3.90 8.31 0.00 0.37 -4.98 105.19 119.22 1uht n GLY 24 Ca 0.40 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.22 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 -1.96 5.61 -0.23 1.61 1.11 0.11 -4.93 116.67 117.98 1uht s ASP 25 Ca 0.00 -0.33 -0.15 0.00 0.18 0.00 0.00 52.55 52.25 1uht s ASP 25 Cb 0.00 -1.16 0.07 0.00 1.07 0.00 0.00 42.92 42.89 1uht s ASP 25 CO 0.00 -0.33 0.58 0.00 1.18 0.00 0.00 175.17 176.60 1uht s ALA 26 N -2.22 -1.52 0.41 5.23 0.00 -1.26 0.53 121.76 122.93 1uht s ALA 26 Ca 0.41 1.96 0.06 0.00 0.00 0.00 0.00 51.96 54.39 1uht s ALA 26 Cb -0.07 -1.16 -0.07 0.00 0.00 0.00 0.00 23.12 21.81 1uht s ALA 26 CO 0.28 -0.32 0.01 -0.51 0.00 0.00 0.00 175.76 175.23 1uht s LEU 27 N 1.23 2.76 -0.07 0.00 1.43 0.24 -4.96 118.68 119.31 1uht s LEU 27 Ca -0.07 -1.40 -0.12 0.00 -1.03 0.00 0.00 54.13 51.51 1uht s LEU 27 Cb -0.06 -0.83 0.02 0.00 0.03 0.00 0.00 46.19 45.35 1uht s LEU 27 CO -0.12 -0.50 0.30 1.51 0.23 0.00 0.00 176.35 177.76 1uht s ASP 28 N -3.70 -0.24 -0.02 2.29 1.47 -1.26 -1.82 116.67 113.39 1uht s ASP 28 Ca 0.33 0.34 -0.10 0.00 1.18 0.00 0.00 52.55 54.29 1uht s ASP 28 Cb 0.09 0.47 0.01 0.00 -0.34 0.00 0.00 42.92 43.15 1uht s ASP 28 CO 0.16 -0.27 0.22 -0.31 0.68 0.00 0.00 175.17 175.65 1uht s TYR 29 N -0.57 -0.10 0.79 2.11 1.51 -0.69 -4.97 117.35 115.44 1uht s TYR 29 Ca -0.07 0.17 -0.11 0.00 -1.01 0.00 0.00 57.07 56.05 1uht s TYR 29 Cb -0.04 0.03 0.07 0.00 -0.11 0.00 0.00 41.96 41.91 1uht s TYR 29 CO 0.02 -0.29 1.09 -1.59 -1.11 0.00 0.00 175.55 173.68 1uht s LYS 30 N -1.04 2.08 0.12 -0.62 -2.85 -1.26 -1.23 119.74 114.93 1uht s LYS 30 Ca -0.11 1.13 -0.30 0.00 -1.00 0.00 0.00 55.97 55.69 1uht s LYS 30 Cb -0.06 -1.88 -0.06 0.00 -2.06 0.00 0.00 37.83 33.77 1uht s LYS 30 CO 0.02 -1.76 1.14 -1.25 0.10 0.00 0.00 175.35 173.61 1uht s PRO 31 N -4.90 4.51 0.00 1.78 0.04 -1.26 -3.05 135.00 132.12 1uht s PRO 31 Ca 0.62 1.73 0.00 0.00 0.04 0.00 0.00 61.00 63.39 1uht s PRO 31 Cb -0.17 -3.32 0.00 0.00 0.04 0.00 0.00 34.50 31.05 1uht s PRO 31 CO 0.56 -0.09 0.00 0.41 0.04 0.00 0.00 177.00 177.92 1uht n GLY 32 N 2.61 0.86 3.44 0.56 0.00 -1.26 -5.06 105.19 106.33 1uht n GLY 32 Ca 0.06 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.22 5.17 -0.16 1.61 0.01 -1.17 -4.84 113.70 112.09 1uht s SER 33 Ca 0.00 -0.28 -0.29 0.00 1.31 0.00 0.00 55.95 56.69 1uht s SER 33 Cb 0.00 -1.93 -0.02 0.00 0.21 0.00 0.00 66.02 64.28 1uht s SER 33 CO 0.00 -0.06 1.36 -0.89 0.41 0.00 0.00 173.24 174.05 1uht s THR 34 N 1.61 4.11 -0.63 1.44 2.01 -1.26 -4.60 115.64 118.32 1uht s THR 34 Ca 0.06 1.33 -0.11 0.00 0.31 0.00 0.00 61.69 63.29 1uht s THR 34 Cb -0.15 -3.89 0.16 0.00 0.01 0.00 0.00 72.50 68.62 1uht s THR 34 CO 0.04 -0.16 0.53 -0.63 -0.69 0.00 0.00 174.62 173.71 1uht s ILE 35 N 3.75 4.73 -0.60 1.82 1.01 0.39 -4.80 121.20 127.50 1uht s ILE 35 Ca 0.59 -2.20 -0.28 0.00 0.00 0.00 0.00 60.65 58.76 1uht s ILE 35 Cb -0.24 -4.02 0.03 0.00 0.01 0.00 0.00 42.46 38.24 1uht s ILE 35 CO 0.19 -0.89 1.19 -0.13 0.00 0.00 0.00 174.94 175.30 1uht s ARG 36 N 0.72 3.45 -0.32 2.79 0.52 -1.26 -0.88 118.95 123.97 1uht s ARG 36 Ca 0.12 0.14 -0.20 0.00 -0.52 0.00 0.00 55.73 55.26 1uht s ARG 36 Cb -0.20 -4.04 -0.01 0.00 0.52 0.00 0.00 34.95 31.22 1uht s ARG 36 CO -0.03 -1.75 0.64 0.08 0.02 0.00 0.00 175.30 174.26 1uht s VAL 37 N 5.03 4.92 0.00 3.52 1.01 -1.03 -1.07 120.40 132.78 1uht s VAL 37 Ca 0.41 0.80 0.00 0.00 0.00 0.00 0.00 61.98 63.19 1uht s VAL 37 Cb -0.08 -4.03 0.00 0.00 0.00 0.00 0.00 36.38 32.28 1uht s VAL 37 CO 0.23 -0.19 0.00 0.61 0.00 0.00 0.00 175.10 175.75 1uht n GLY 38 N 4.48 5.68 0.10 4.51 0.00 0.61 -2.70 105.19 117.87 1uht n GLY 38 Ca -0.01 -1.49 -0.13 0.00 0.00 0.00 0.00 46.02 44.39 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 0.74 -3.59 1.61 0.63 0.15 -1.34 116.66 114.85 1uht n ARG 39 Ca 0.00 0.09 -0.37 0.00 -0.92 0.00 0.00 57.85 56.65 1uht n ARG 39 Cb 0.00 -1.43 -0.06 0.00 0.45 0.00 0.00 32.46 31.43 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 -2.42 5.13 0.15 5.15 -4.36 -1.26 -3.83 121.20 119.76 1uht s ILE 40 Ca -0.23 0.61 -0.13 0.00 -0.26 0.00 0.00 60.65 60.64 1uht s ILE 40 Cb 0.07 -3.64 0.02 0.00 1.25 0.00 0.00 42.46 40.16 1uht s ILE 40 CO 0.54 0.50 1.62 -0.37 0.24 0.00 0.00 174.94 177.48 1uht h VAL 41 N 3.50 1.25 -1.53 8.37 -1.51 -1.91 -3.42 116.25 121.00 1uht h VAL 41 Ca -0.51 -0.98 -0.70 0.00 -1.23 0.00 0.00 66.70 63.28 1uht h VAL 41 Cb 1.21 0.92 0.05 0.00 -2.13 0.00 0.00 31.29 31.35 1uht h VAL 41 CO 0.62 0.35 0.37 0.54 -1.23 0.00 0.00 177.57 178.22 1uht n ARG 42 N -4.39 0.90 -3.74 5.19 1.74 -1.26 -2.16 116.66 112.94 1uht n ARG 42 Ca 0.01 0.32 -0.24 0.00 -0.77 0.00 0.00 57.85 57.18 1uht n ARG 42 Cb 0.27 -1.94 0.00 0.00 -1.02 0.00 0.00 32.46 29.78 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 2.30 -1.28 3.65 -0.13 0.00 -1.26 -4.97 105.19 103.49 1uht n GLY 43 Ca 0.19 0.58 -0.02 0.00 0.00 0.00 0.00 46.02 46.76 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 -3.03 -0.34 0.27 1.61 0.01 -0.92 -5.00 114.94 107.54 1uht s ASN 44 Ca 0.04 0.57 0.04 0.00 -0.71 0.00 0.00 52.86 52.80 1uht s ASN 44 Cb -0.02 1.03 0.37 0.00 0.41 0.00 0.00 41.25 43.04 1uht s ASN 44 CO 0.89 -0.09 1.65 -0.08 -1.51 0.00 0.00 177.10 177.96 1uht h GLU 45 N 5.37 0.32 -3.59 -0.60 4.57 -1.39 -3.44 114.58 115.82 1uht h GLU 45 Ca -0.28 -0.16 -0.22 0.00 -1.18 0.00 0.00 59.36 57.52 1uht h GLU 45 Cb 1.18 0.00 -0.28 0.00 -0.16 0.00 0.00 28.75 29.49 1uht h GLU 45 CO 0.20 0.70 -0.66 0.42 -1.18 0.00 0.00 179.01 178.48 1uht s ILE 46 N -4.12 -0.01 -0.02 2.32 1.01 -0.93 -4.93 121.20 114.53 1uht s ILE 46 Ca -0.05 0.02 0.03 0.00 0.00 0.00 0.00 60.65 60.65 1uht s ILE 46 Cb 0.13 -0.09 -0.00 0.00 0.01 0.00 0.00 42.46 42.51 1uht s ILE 46 CO 0.79 0.01 -0.11 0.00 0.00 0.00 0.00 174.94 175.62 1uht s ALA 47 N 0.14 0.99 -0.09 9.38 0.00 -1.26 -0.28 121.76 130.64 1uht s ALA 47 Ca -0.01 -0.46 0.01 0.00 0.00 0.00 0.00 51.96 51.50 1uht s ALA 47 Cb -0.02 -0.30 0.02 0.00 0.00 0.00 0.00 23.12 22.82 1uht s ALA 47 CO -0.00 0.21 -0.11 0.42 0.00 0.00 0.00 175.76 176.28 1uht s ILE 48 N -0.08 1.14 -1.16 0.00 1.01 -0.45 -4.96 121.20 116.70 1uht s ILE 48 Ca 0.01 -0.42 -0.08 0.00 0.00 0.00 0.00 60.65 60.16 1uht s ILE 48 Cb -0.07 -1.09 0.25 0.00 0.01 0.00 0.00 42.46 41.56 1uht s ILE 48 CO 0.00 0.37 1.53 0.29 0.00 0.00 0.00 174.94 177.14 1uht n LYS 49 N 4.34 3.95 0.00 2.79 4.76 -1.26 -4.43 118.16 128.31 1uht n LYS 49 Ca -0.18 -4.16 0.00 0.00 -2.87 0.00 0.00 58.31 51.10 1uht n LYS 49 Cb 0.51 -2.70 0.00 0.00 -1.84 0.00 0.00 35.03 31.00 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 2.78 0.92 0.00 4.39 2.03 -1.26 -4.88 116.55 120.54 1uht n ASP 50 Ca 0.31 -0.97 0.00 0.00 0.52 0.00 0.00 54.79 54.65 1uht n ASP 50 Cb 0.36 0.05 0.00 0.00 -0.72 0.00 0.00 41.12 40.81 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 -0.05 0.00 -0.38 -1.67 0.00 -1.26 -4.54 120.51 112.61 1uht n ALA 51 Ca 0.00 0.00 0.37 0.00 0.00 0.00 0.00 53.44 53.81 1uht n ALA 51 Cb 0.01 0.00 0.62 0.00 0.00 0.00 0.00 19.45 20.08 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 -3.89 0.00 0.00 -1.93 -3.37 103.07 93.88 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 -0.05 -0.42 0.00 0.00 0.00 176.54 176.07 1uht s ILE 53 N -4.64 4.81 0.46 2.60 1.01 -1.26 -4.39 121.20 119.79 1uht s ILE 53 Ca -0.04 0.85 0.06 0.00 0.00 0.00 0.00 60.65 61.52 1uht s ILE 53 Cb 0.19 -3.73 -0.03 0.00 0.01 0.00 0.00 42.46 38.91 1uht s ILE 53 CO 0.65 0.16 0.18 -0.55 0.00 0.00 0.00 174.94 175.39 1uht s SER 54 N -1.84 4.38 0.01 3.58 0.15 -1.26 -4.65 113.70 114.07 1uht s SER 54 Ca 0.41 -1.24 -0.02 0.00 0.70 0.00 0.00 55.95 55.80 1uht s SER 54 Cb -0.14 -0.09 -0.01 0.00 -1.71 0.00 0.00 66.02 64.07 1uht s SER 54 CO 0.20 -0.72 1.03 0.71 1.20 0.00 0.00 173.24 175.66 1uht h THR 55 N 1.29 0.00 -2.41 6.45 1.35 -1.93 0.43 112.91 118.09 1uht h THR 55 Ca -0.42 0.00 -0.78 0.00 -0.55 0.00 0.00 66.41 64.66 1uht h THR 55 Cb 1.27 0.00 -0.29 0.00 -1.73 0.00 0.00 68.15 67.40 1uht h THR 55 CO 0.69 0.00 0.76 0.29 -0.25 0.00 0.00 175.52 177.00 1uht n LYS 56 N -2.72 4.90 0.16 4.72 4.01 -1.26 -3.17 118.16 124.80 1uht n LYS 56 Ca -0.00 -4.66 -0.06 0.00 -0.51 0.00 0.00 58.31 53.07 1uht n LYS 56 Cb 0.02 -2.45 -0.03 0.00 -0.51 0.00 0.00 35.03 32.06 1uht n LYS 56 CO 0.00 0.00 0.00 1.25 -1.11 0.00 0.00 177.40 177.54 1uht h HIS 57 N 4.39 -0.39 -3.76 2.13 2.76 -1.66 -3.43 115.15 115.18 1uht h HIS 57 Ca 0.40 -0.01 -0.11 0.00 -2.20 0.00 0.00 60.37 58.46 1uht h HIS 57 Cb 0.42 0.13 -0.09 0.00 1.55 0.00 0.00 27.41 29.43 1uht h HIS 57 CO 1.19 -0.24 -0.14 -0.48 -1.30 0.00 0.00 177.93 176.96 1uht s LEU 58 N -5.85 0.49 -0.00 0.26 0.05 -1.10 -2.80 118.68 109.72 1uht s LEU 58 Ca -0.06 -1.08 0.02 0.00 0.05 0.00 0.00 54.13 53.06 1uht s LEU 58 Cb 0.01 1.69 -0.01 0.00 -2.05 0.00 0.00 46.19 45.83 1uht s LEU 58 CO 0.18 -1.19 -0.07 -0.60 -0.55 0.00 0.00 176.35 174.13 1uht s ARG 59 N -3.73 0.53 -0.07 1.48 3.52 -1.06 -2.46 118.95 117.16 1uht s ARG 59 Ca 0.25 -0.27 0.02 0.00 -0.13 0.00 0.00 55.73 55.60 1uht s ARG 59 Cb -0.00 -0.50 -0.02 0.00 -1.56 0.00 0.00 34.95 32.86 1uht s ARG 59 CO 0.12 0.13 -0.13 0.42 -0.81 0.00 0.00 175.30 175.03 1uht s ILE 60 N -0.23 3.16 0.19 4.11 1.01 -0.06 -2.63 121.20 126.75 1uht s ILE 60 Ca 0.02 -0.67 -0.11 0.00 0.00 0.00 0.00 60.65 59.88 1uht s ILE 60 Cb -0.03 -2.26 -0.00 0.00 0.01 0.00 0.00 42.46 40.17 1uht s ILE 60 CO -0.00 0.58 0.37 -1.83 0.00 0.00 0.00 174.94 174.06 1uht s GLU 61 N -0.52 1.31 -0.00 2.79 4.04 -1.00 0.15 118.70 125.46 1uht s GLU 61 Ca 0.07 -1.17 0.07 0.00 0.04 0.00 0.00 54.97 53.98 1uht s GLU 61 Cb -0.12 0.42 -0.02 0.00 0.02 0.00 0.00 34.13 34.44 1uht s GLU 61 CO 0.02 -0.51 -0.21 0.45 -1.84 0.00 0.00 175.26 173.16 1uht s SER 62 N -2.98 2.53 0.05 0.83 0.15 -1.26 -0.35 113.70 112.67 1uht s SER 62 Ca 0.18 -0.43 -0.10 0.00 0.70 0.00 0.00 55.95 56.30 1uht s SER 62 Cb 0.02 -0.26 0.01 0.00 -1.71 0.00 0.00 66.02 64.07 1uht s SER 62 CO 0.03 0.24 0.22 -1.81 1.20 0.00 0.00 173.24 173.12 1uht s ASP 63 N -0.68 0.00 -1.17 5.45 1.01 0.20 -4.64 116.67 116.84 1uht s ASP 63 Ca 0.08 -0.36 -0.29 0.00 0.71 0.00 0.00 52.55 52.69 1uht s ASP 63 Cb -0.08 0.31 0.03 0.00 1.01 0.00 0.00 42.92 44.19 1uht s ASP 63 CO -0.00 -0.60 0.72 -1.20 0.21 0.00 0.00 175.17 174.30 1uht n SER 64 N 0.54 -4.63 -4.43 0.27 7.64 -1.26 0.05 113.62 111.81 1uht n SER 64 Ca -0.18 -1.18 -0.38 0.00 1.01 0.00 0.00 58.87 58.14 1uht n SER 64 Cb 0.60 -2.28 -0.08 0.00 -1.01 0.00 0.00 64.21 61.43 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 -1.93 -0.29 3.57 0.23 0.00 -1.26 -4.88 105.19 100.63 1uht n GLY 65 Ca -0.11 0.12 -0.09 0.00 0.00 0.00 0.00 46.02 45.94 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 -3.73 -0.12 0.01 1.61 0.01 0.11 -4.75 114.94 108.07 1uht s ASN 66 Ca 0.48 -0.80 0.03 0.00 -0.71 0.00 0.00 52.86 51.86 1uht s ASN 66 Cb -0.28 0.58 -0.03 0.00 0.41 0.00 0.00 41.25 41.92 1uht s ASN 66 CO 1.01 -1.11 -0.07 0.26 -1.51 0.00 0.00 177.10 175.68 1uht s TRP 67 N -3.97 2.88 0.04 2.20 0.52 -1.26 0.63 118.94 119.96 1uht s TRP 67 Ca 0.18 -0.05 -0.01 0.00 0.02 0.00 0.00 56.10 56.24 1uht s TRP 67 Cb -0.01 -1.60 -0.03 0.00 -1.15 0.00 0.00 33.47 30.68 1uht s TRP 67 CO 0.05 0.37 -0.01 0.14 0.02 0.00 0.00 176.95 177.52 1uht s VAL 68 N -1.00 0.16 0.07 4.03 -7.23 0.52 -0.65 120.40 116.31 1uht s VAL 68 Ca 0.17 -1.31 0.09 0.00 -1.81 0.00 0.00 61.98 59.12 1uht s VAL 68 Cb -0.11 -0.88 -0.03 0.00 0.56 0.00 0.00 36.38 35.91 1uht s VAL 68 CO 0.07 -0.72 -0.23 -0.51 -0.31 0.00 0.00 175.10 173.40 1uht s ILE 69 N -2.66 1.92 -0.03 -0.62 2.07 0.77 -2.38 121.20 120.25 1uht s ILE 69 Ca -0.05 -1.44 -0.00 0.00 -1.41 0.00 0.00 60.65 57.75 1uht s ILE 69 Cb -0.01 -1.68 0.03 0.00 0.13 0.00 0.00 42.46 40.93 1uht s ILE 69 CO -0.05 0.16 0.02 -1.58 -1.91 0.00 0.00 174.94 171.58 1uht s GLN 70 N -1.53 0.21 -0.57 3.50 0.74 -1.08 -2.57 119.66 118.36 1uht s GLN 70 Ca 0.10 0.16 -0.24 0.00 0.05 0.00 0.00 55.36 55.42 1uht s GLN 70 Cb -0.10 -0.51 0.04 0.00 1.10 0.00 0.00 33.01 33.55 1uht s GLN 70 CO 0.03 -0.20 0.97 0.34 -0.55 0.00 0.00 175.29 175.89 1uht s ASP 71 N 1.36 6.33 -0.80 6.67 2.15 -1.25 -2.55 116.67 128.58 1uht s ASP 71 Ca -0.05 -0.38 -0.05 0.00 0.43 0.00 0.00 52.55 52.50 1uht s ASP 71 Cb -0.13 -2.45 -0.05 0.00 -0.30 0.00 0.00 42.92 39.99 1uht s ASP 71 CO -0.03 -1.28 2.05 0.18 -0.17 0.00 0.00 175.17 175.93 1uht n LEU 72 N 7.61 4.54 -3.40 -1.34 4.32 -1.12 -3.76 117.00 123.84 1uht n LEU 72 Ca 0.02 -2.73 -0.24 0.00 -0.02 0.00 0.00 56.01 53.04 1uht n LEU 72 Cb 0.47 -1.04 -0.04 0.00 -1.62 0.00 0.00 43.42 41.19 1uht n LEU 72 CO 0.64 0.53 -0.09 0.61 -1.22 0.00 0.00 177.39 177.86 1uht n GLY 73 N 3.70 -0.35 3.07 -0.72 0.00 -1.26 -4.75 105.19 104.89 1uht n GLY 73 Ca 0.41 0.04 -0.36 0.00 0.00 0.00 0.00 46.02 46.11 1uht n GLY 73 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1uht n SER 74 N -1.66 -4.87 0.00 1.61 2.88 -1.21 -4.89 113.62 105.48 1uht n SER 74 Ca 0.07 0.16 0.00 0.00 -1.33 0.00 0.00 58.87 57.77 1uht n SER 74 Cb 0.38 -0.79 0.00 0.00 -0.75 0.00 0.00 64.21 63.05 1uht n SER 74 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1uht n SER 75 N 2.62 0.00 0.26 -3.46 7.64 -1.26 -4.01 113.62 115.41 1uht n SER 75 Ca -0.01 0.83 -0.12 0.00 1.01 0.00 0.00 58.87 60.59 1uht n SER 75 Cb 0.59 -0.33 -0.06 0.00 -1.01 0.00 0.00 64.21 63.40 1uht n SER 75 CO 0.00 0.00 0.00 0.78 -3.01 0.00 0.00 175.04 172.81 1uht h ASN 76 N 0.00 -0.61 -4.34 6.43 4.21 -1.90 -3.50 115.58 115.87 1uht h ASN 76 Ca 0.00 -0.01 0.00 0.00 1.21 0.00 0.00 56.30 57.50 1uht h ASN 76 Cb 0.00 0.16 0.00 0.00 -1.12 0.00 0.00 38.32 37.36 1uht h ASN 76 CO 0.00 -0.20 0.00 0.61 -1.29 0.00 0.00 177.43 176.55 1uht n GLY 77 N -0.14 2.21 3.51 2.83 0.00 -1.26 -5.11 105.19 107.23 1uht n GLY 77 Ca -0.09 -1.95 -0.30 0.00 0.00 0.00 0.00 46.02 43.68 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 -1.61 2.98 0.01 2.61 2.01 -1.26 -4.32 115.64 116.05 1uht s THR 78 Ca 0.00 -1.39 0.07 0.00 0.31 0.00 0.00 61.69 60.68 1uht s THR 78 Cb 0.00 -2.36 -0.02 0.00 0.01 0.00 0.00 72.50 70.13 1uht s THR 78 CO 0.00 0.14 -0.22 -0.76 -0.69 0.00 0.00 174.62 173.09 1uht s LEU 79 N -2.05 2.09 -0.22 4.42 1.43 -0.20 -0.88 118.68 123.27 1uht s LEU 79 Ca 0.18 -0.45 0.00 0.00 -1.03 0.00 0.00 54.13 52.83 1uht s LEU 79 Cb -0.11 -1.10 0.06 0.00 0.03 0.00 0.00 46.19 45.07 1uht s LEU 79 CO 0.10 0.24 -0.04 -0.22 0.23 0.00 0.00 176.35 176.66 1uht s LEU 80 N -0.78 2.28 0.00 1.79 2.96 0.95 -0.98 118.68 124.90 1uht s LEU 80 Ca 0.09 -1.09 0.00 0.00 -0.22 0.00 0.00 54.13 52.90 1uht s LEU 80 Cb -0.09 -1.06 0.00 0.00 0.50 0.00 0.00 46.19 45.54 1uht s LEU 80 CO 0.00 -0.25 0.00 0.59 -1.32 0.00 0.00 176.35 175.38 1uht n ASN 81 N 4.75 0.00 -2.68 3.68 4.13 -0.24 -2.06 115.26 122.83 1uht n ASN 81 Ca -0.11 0.00 -0.06 0.00 1.68 0.00 0.00 54.58 56.09 1uht n ASN 81 Cb 0.45 0.00 0.07 0.00 -1.54 0.00 0.00 39.78 38.76 1uht n ASN 81 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 1uht n SER 82 N 1.37 -1.63 -3.64 6.41 7.64 -1.26 -4.92 113.62 117.59 1uht n SER 82 Ca 0.00 -2.19 -0.09 0.00 1.01 0.00 0.00 58.87 57.60 1uht n SER 82 Cb 0.00 1.05 -0.07 0.00 -1.01 0.00 0.00 64.21 64.18 1uht n SER 82 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 1uht s ASN 83 N -0.81 -0.62 -0.18 6.43 0.01 -0.88 -5.13 114.94 113.76 1uht s ASN 83 Ca 0.15 1.13 -0.29 0.00 -0.71 0.00 0.00 52.86 53.14 1uht s ASN 83 Cb 0.27 1.18 -0.01 0.00 0.41 0.00 0.00 41.25 43.10 1uht s ASN 83 CO -0.06 -0.19 1.15 0.00 -1.51 0.00 0.00 177.10 176.49 1uht s ALA 84 N 0.65 3.64 1.28 0.60 0.00 -1.26 -0.04 121.76 126.64 1uht s ALA 84 Ca -0.02 0.35 -0.17 0.00 0.00 0.00 0.00 51.96 52.13 1uht s ALA 84 Cb -0.05 -3.57 0.33 0.00 0.00 0.00 0.00 23.12 19.83 1uht s ALA 84 CO -0.08 -1.05 0.98 -0.51 0.00 0.00 0.00 175.76 175.10 1uht s LEU 85 N 3.18 -0.04 0.07 0.00 1.43 -0.06 -4.96 118.68 118.31 1uht s LEU 85 Ca 0.50 1.25 0.08 0.00 -1.03 0.00 0.00 54.13 54.93 1uht s LEU 85 Cb -0.19 -2.95 -0.03 0.00 0.03 0.00 0.00 46.19 43.05 1uht s LEU 85 CO 0.12 -4.75 -0.21 -1.81 0.23 0.00 0.00 176.35 169.93 1uht s ASP 86 N -2.71 2.54 0.11 2.29 1.01 -1.26 -4.79 116.67 113.86 1uht s ASP 86 Ca 0.69 -0.60 -0.09 0.00 0.71 0.00 0.00 52.55 53.26 1uht s ASP 86 Cb -0.21 -0.18 -0.13 0.00 1.01 0.00 0.00 42.92 43.41 1uht s ASP 86 CO 0.63 0.12 1.29 1.55 0.21 0.00 0.00 175.17 178.96 1uht h PRO 87 N 4.49 0.59 -0.86 8.23 0.13 -1.97 -3.07 132.00 139.53 1uht h PRO 87 Ca -0.44 -0.57 -0.10 0.00 -0.87 0.00 0.00 66.00 64.02 1uht h PRO 87 Cb 1.17 0.15 -0.06 0.00 0.13 0.00 0.00 31.00 32.39 1uht h PRO 87 CO 0.42 1.19 0.12 0.39 -0.23 0.00 0.00 178.00 179.89 1uht n GLU 88 N -3.83 2.54 -3.87 0.86 1.02 -1.26 -4.72 120.64 111.37 1uht n GLU 88 Ca -0.08 -1.61 -0.11 0.00 -0.02 0.00 0.00 57.16 55.34 1uht n GLU 88 Cb 0.81 -1.80 -0.10 0.00 -0.02 0.00 0.00 31.44 30.34 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 -1.84 0.08 -0.11 2.62 2.01 -1.16 -5.15 115.64 112.08 1uht s THR 89 Ca 0.29 -0.65 0.01 0.00 0.31 0.00 0.00 61.69 61.65 1uht s THR 89 Cb 0.23 -0.43 0.02 0.00 0.01 0.00 0.00 72.50 72.33 1uht s THR 89 CO 0.07 -0.36 -0.14 -0.94 -0.69 0.00 0.00 174.62 172.57 1uht s SER 90 N -1.30 2.42 0.04 3.53 1.04 -1.26 -4.52 113.70 113.64 1uht s SER 90 Ca -0.14 -0.42 0.02 0.00 0.48 0.00 0.00 55.95 55.90 1uht s SER 90 Cb -0.07 -1.06 -0.04 0.00 0.10 0.00 0.00 66.02 64.95 1uht s SER 90 CO 0.02 -0.01 0.04 -0.69 0.98 0.00 0.00 173.24 173.58 1uht s VAL 91 N 1.13 4.36 -0.35 5.02 1.01 -1.06 -4.95 120.40 125.56 1uht s VAL 91 Ca -0.04 -0.69 -0.22 0.00 0.00 0.00 0.00 61.98 61.03 1uht s VAL 91 Cb -0.14 -3.03 0.01 0.00 0.00 0.00 0.00 36.38 33.21 1uht s VAL 91 CO -0.04 0.24 0.72 0.54 0.00 0.00 0.00 175.10 176.57 1uht s ASN 92 N -2.00 6.51 1.10 3.32 4.22 -1.26 -0.17 114.94 126.67 1uht s ASN 92 Ca 0.24 0.31 -0.18 0.00 -2.14 0.00 0.00 52.86 51.10 1uht s ASN 92 Cb -0.12 -2.37 0.10 0.00 1.28 0.00 0.00 41.25 40.14 1uht s ASN 92 CO 0.16 -0.66 0.09 0.18 -2.04 0.00 0.00 177.10 174.83 1uht n LEU 93 N 6.24 -1.98 -3.64 3.54 4.77 0.18 -4.92 117.00 121.19 1uht n LEU 93 Ca 0.01 -0.06 -0.13 0.00 -0.03 0.00 0.00 56.01 55.81 1uht n LEU 93 Cb 0.48 -1.00 -0.06 0.00 -2.33 0.00 0.00 43.42 40.51 1uht n LEU 93 CO 0.51 -3.17 0.18 -0.83 -1.33 0.00 0.00 177.39 172.76 1uht s GLY 94 N -1.88 -0.31 -0.41 -0.72 0.00 -1.26 -4.77 107.32 97.97 1uht s GLY 94 Ca 0.56 0.33 -0.28 0.00 0.00 0.00 0.00 44.72 45.33 1uht s GLY 94 CO 0.66 0.06 1.68 -0.35 0.00 0.00 0.00 173.10 175.16 1uht s ASP 95 N -2.11 5.92 0.00 1.64 2.15 -1.25 -1.67 116.67 121.35 1uht s ASP 95 Ca -0.04 0.96 0.00 0.00 0.43 0.00 0.00 52.55 53.90 1uht s ASP 95 Cb -0.00 -2.53 0.00 0.00 -0.30 0.00 0.00 42.92 40.08 1uht s ASP 95 CO -0.04 -1.75 0.00 0.61 -0.17 0.00 0.00 175.17 173.83 1uht n GLY 96 N 5.37 1.25 3.66 2.66 0.00 0.49 -4.97 105.19 113.64 1uht n GLY 96 Ca 0.20 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.80 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 -1.91 7.03 -0.39 1.61 1.11 -0.67 -4.81 116.67 118.64 1uht s ASP 97 Ca 0.00 1.28 -0.19 0.00 0.18 0.00 0.00 52.55 53.82 1uht s ASP 97 Cb 0.00 -2.51 0.01 0.00 1.07 0.00 0.00 42.92 41.49 1uht s ASP 97 CO 0.00 -0.58 0.56 -0.69 1.18 0.00 0.00 175.17 175.63 1uht s VAL 98 N 2.89 4.95 -0.51 -1.27 1.01 -1.26 -0.92 120.40 125.30 1uht s VAL 98 Ca 0.41 0.18 -0.20 0.00 0.00 0.00 0.00 61.98 62.38 1uht s VAL 98 Cb -0.16 -4.07 0.05 0.00 0.00 0.00 0.00 36.38 32.21 1uht s VAL 98 CO 0.08 -0.38 0.67 -0.63 0.00 0.00 0.00 175.10 174.83 1uht s ILE 99 N 2.53 4.81 -0.50 2.22 1.01 0.51 -1.08 121.20 130.69 1uht s ILE 99 Ca 0.19 -0.34 -0.17 0.00 0.00 0.00 0.00 60.65 60.33 1uht s ILE 99 Cb -0.15 -4.32 0.07 0.00 0.01 0.00 0.00 42.46 38.07 1uht s ILE 99 CO 0.15 -0.83 0.51 -0.54 0.00 0.00 0.00 174.94 174.24 1uht s LYS 100 N 2.81 3.04 0.33 2.79 1.02 -0.15 0.44 119.74 130.02 1uht s LYS 100 Ca 0.18 -1.18 0.05 0.00 0.02 0.00 0.00 55.97 55.04 1uht s LYS 100 Cb -0.18 -4.13 -0.06 0.00 -0.52 0.00 0.00 37.83 32.93 1uht s LYS 100 CO 0.13 -1.15 0.02 -0.48 -0.92 0.00 0.00 175.35 172.95 1uht s LEU 101 N 2.10 2.37 0.00 3.17 2.34 0.81 -1.03 118.68 128.44 1uht s LEU 101 Ca 0.09 -1.33 0.00 0.00 0.06 0.00 0.00 54.13 52.95 1uht s LEU 101 Cb -0.22 -0.53 0.00 0.00 -0.56 0.00 0.00 46.19 44.88 1uht s LEU 101 CO 0.09 -0.52 0.00 0.61 -1.06 0.00 0.00 176.35 175.47 1uht n GLY 102 N -0.71 1.97 0.10 -3.48 0.00 -1.26 -2.02 105.19 99.79 1uht n GLY 102 Ca -0.03 -0.56 -0.15 0.00 0.00 0.00 0.00 46.02 45.28 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 13.18 0.53 -2.59 1.61 1.02 -1.26 -4.77 120.64 128.36 1uht n GLU 103 Ca 0.00 0.35 -0.02 0.00 -0.02 0.00 0.00 57.16 57.48 1uht n GLU 103 Cb 0.00 -1.56 0.05 0.00 -0.02 0.00 0.00 31.44 29.91 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 -4.45 1.25 -3.79 -0.32 4.01 -1.26 -5.06 117.16 107.54 1uht n TYR 104 Ca -0.24 -1.96 -0.36 0.00 -0.16 0.00 0.00 57.90 55.17 1uht n TYR 104 Cb 0.57 -0.23 -0.11 0.00 -0.31 0.00 0.00 39.34 39.25 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 -3.47 4.75 -0.07 -0.72 2.01 -0.86 -0.50 115.64 116.78 1uht s THR 105 Ca 0.30 -0.03 0.03 0.00 0.31 0.00 0.00 61.69 62.30 1uht s THR 105 Cb 0.34 -3.21 0.01 0.00 0.01 0.00 0.00 72.50 69.65 1uht s THR 105 CO -0.05 0.35 -0.15 -0.44 -0.69 0.00 0.00 174.62 173.64 1uht s SER 106 N 1.25 2.12 -0.10 3.53 0.01 -1.15 -0.14 113.70 119.23 1uht s SER 106 Ca 0.06 -0.37 0.04 0.00 1.31 0.00 0.00 55.95 56.99 1uht s SER 106 Cb -0.14 -0.96 -0.00 0.00 0.21 0.00 0.00 66.02 65.12 1uht s SER 106 CO 0.05 0.07 -0.24 -0.63 0.41 0.00 0.00 173.24 172.90 1uht s ILE 107 N 0.55 2.07 -0.10 1.44 1.01 0.17 -1.86 121.20 124.48 1uht s ILE 107 Ca -0.15 -1.02 -0.09 0.00 0.00 0.00 0.00 60.65 59.38 1uht s ILE 107 Cb -0.16 -1.78 -0.04 0.00 0.01 0.00 0.00 42.46 40.49 1uht s ILE 107 CO 0.05 0.56 0.21 -0.22 0.00 0.00 0.00 174.94 175.54 1uht s LEU 108 N 0.28 4.40 -0.35 2.97 2.96 0.14 0.19 118.68 129.27 1uht s LEU 108 Ca -0.17 0.58 -0.12 0.00 -0.22 0.00 0.00 54.13 54.20 1uht s LEU 108 Cb -0.17 -2.20 -0.00 0.00 0.50 0.00 0.00 46.19 44.31 1uht s LEU 108 CO 0.08 0.37 0.22 -0.69 -1.32 0.00 0.00 176.35 175.02 1uht s VAL 109 N -0.95 4.97 -0.14 1.68 1.01 -0.10 -1.40 120.40 125.48 1uht s VAL 109 Ca 0.17 -0.44 0.01 0.00 0.00 0.00 0.00 61.98 61.72 1uht s VAL 109 Cb -0.13 -3.62 0.02 0.00 0.00 0.00 0.00 36.38 32.65 1uht s VAL 109 CO 0.06 -0.07 -0.17 0.20 0.00 0.00 0.00 175.10 175.12 1uht s ASN 110 N 1.66 2.80 -0.41 3.32 0.02 -0.89 0.18 114.94 121.62 1uht s ASN 110 Ca 0.05 -0.53 -0.26 0.00 -1.02 0.00 0.00 52.86 51.10 1uht s ASN 110 Cb -0.18 -1.27 0.02 0.00 0.02 0.00 0.00 41.25 39.84 1uht s ASN 110 CO 0.09 0.00 0.96 -0.36 0.02 0.00 0.00 177.10 177.81 1uht s PHE 111 N 1.17 2.99 -0.00 2.20 0.08 -1.26 -2.28 117.98 120.88 1uht s PHE 111 Ca -0.01 0.65 -0.17 0.00 0.12 0.00 0.00 56.93 57.52 1uht s PHE 111 Cb -0.14 -3.87 -0.06 0.00 -0.57 0.00 0.00 43.02 38.38 1uht s PHE 111 CO -0.07 -0.98 0.49 0.14 -0.10 0.00 0.00 175.22 174.70 1uht s VAL 112 N 3.71 4.96 -0.37 -0.44 -7.23 -0.99 -4.92 120.40 115.12 1uht s VAL 112 Ca 0.39 1.02 -0.04 0.00 -1.81 0.00 0.00 61.98 61.54 1uht s VAL 112 Cb -0.11 -3.81 0.22 0.00 0.56 0.00 0.00 36.38 33.24 1uht s VAL 112 CO 0.23 0.50 1.05 -1.20 -0.31 0.00 0.00 175.10 175.38 1uht n SER 113 N 2.26 -1.78 0.00 4.85 7.64 -1.26 -1.50 113.62 123.83 1uht n SER 113 Ca -0.11 -1.37 0.00 0.00 1.01 0.00 0.00 58.87 58.40 1uht n SER 113 Cb 0.52 0.91 0.00 0.00 -1.01 0.00 0.00 64.21 64.63 1uht n SER 113 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1uht n GLY 114 N 2.53 0.97 3.76 0.23 0.00 -1.26 -5.05 105.19 106.37 1uht n GLY 114 Ca 0.12 -2.12 -0.30 0.00 0.00 0.00 0.00 46.02 43.72 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 -1.40 -0.35 -0.30 1.61 0.04 -1.26 -5.10 135.00 128.25 1uht s PRO 115 Ca 0.00 -0.27 -0.23 0.00 0.04 0.00 0.00 61.00 60.54 1uht s PRO 115 Cb 0.00 -1.72 0.19 0.00 0.04 0.00 0.00 34.50 33.02 1uht s PRO 115 CO 0.00 -3.10 1.40 -1.54 0.04 0.00 0.00 177.00 173.80 1uht s SER 116 N -4.42 -0.07 0.28 6.66 1.04 -1.26 -5.14 113.70 110.79 1uht s SER 116 Ca 0.73 0.12 0.00 0.00 0.48 0.00 0.00 55.95 57.28 1uht s SER 116 Cb -0.06 0.29 0.00 0.00 0.10 0.00 0.00 66.02 66.34 1uht s SER 116 CO 0.55 -0.02 0.00 -0.24 0.98 0.00 0.00 173.24 174.50 1uht n SER 117 N 1.87 -7.49 0.00 7.02 2.88 -1.26 -5.27 113.62 111.37 1uht n SER 117 Ca -0.12 0.99 0.00 0.00 -1.33 0.00 0.00 58.87 58.42 1uht n SER 117 Cb 0.57 -3.48 0.00 0.00 -0.75 0.00 0.00 64.21 60.55 1uht n SER 117 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42