#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 0.01 0.62 1.61 1.04 -1.26 -5.14 113.70 110.58 1uht s SER 2 Ca 0.00 -0.67 -0.17 0.00 0.48 0.00 0.00 55.95 55.58 1uht s SER 2 Cb 0.00 0.41 -0.08 0.00 0.10 0.00 0.00 66.02 66.46 1uht s SER 2 CO 0.00 -0.84 0.44 -1.20 0.98 0.00 0.00 173.24 172.62 1uht n SER 3 N -0.17 -1.44 0.00 7.02 7.64 -1.26 -4.58 113.62 120.84 1uht n SER 3 Ca -0.12 0.67 0.00 0.00 1.01 0.00 0.00 58.87 60.43 1uht n SER 3 Cb 0.63 -1.15 0.00 0.00 -1.01 0.00 0.00 64.21 62.68 1uht n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1uht n GLY 4 N 1.85 0.90 2.19 0.23 0.00 -1.26 -5.09 105.19 104.01 1uht n GLY 4 Ca 0.10 -1.67 0.00 0.00 0.00 0.00 0.00 46.02 44.45 1uht n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1uht n SER 5 N 0.00 -8.98 -1.26 1.61 7.64 -1.26 -4.94 113.62 106.43 1uht n SER 5 Ca 0.00 1.63 0.00 0.00 1.01 0.00 0.00 58.87 61.51 1uht n SER 5 Cb 0.00 -4.93 0.00 0.00 -1.01 0.00 0.00 64.21 58.27 1uht n SER 5 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1uht n SER 6 N 1.74 -6.48 0.00 6.43 7.64 -1.26 -5.09 113.62 116.60 1uht n SER 6 Ca 0.00 0.83 0.00 0.00 1.01 0.00 0.00 58.87 60.71 1uht n SER 6 Cb 0.00 -2.99 0.00 0.00 -1.01 0.00 0.00 64.21 60.21 1uht n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1uht n GLY 7 N 0.49 1.09 3.46 0.23 0.00 -1.26 -5.16 105.19 104.04 1uht n GLY 7 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.86 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 3.04 0.90 0.19 1.61 1.00 -1.26 -5.17 119.30 119.61 1uht s MET 8 Ca 0.00 0.29 0.02 0.00 0.00 0.00 0.00 55.69 56.00 1uht s MET 8 Cb 0.00 0.42 -0.04 0.00 0.00 0.00 0.00 34.83 35.22 1uht s MET 8 CO 0.00 -0.25 0.34 0.14 0.00 0.00 0.00 175.02 175.25 1uht s VAL 9 N -0.90 5.27 0.14 -6.03 -7.23 -1.26 -4.90 120.40 105.50 1uht s VAL 9 Ca -0.09 -0.61 0.00 0.00 -1.81 0.00 0.00 61.98 59.47 1uht s VAL 9 Cb -0.02 -3.76 0.00 0.00 0.56 0.00 0.00 36.38 33.16 1uht s VAL 9 CO 0.07 -0.17 0.00 0.41 -0.31 0.00 0.00 175.10 175.10 1uht n THR 10 N -0.75-12.88 -2.54 5.32 -1.04 -1.26 -4.88 114.28 96.25 1uht n THR 10 Ca -0.06 3.16 -0.35 0.00 -2.04 0.00 0.00 64.05 64.75 1uht n THR 10 Cb 0.54 -5.52 -0.04 0.00 -1.82 0.00 0.00 70.33 63.49 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 -0.77 3.95 0.64 -2.82 0.04 -1.26 -4.65 135.00 130.12 1uht s PRO 11 Ca 0.00 1.43 -0.17 0.00 0.04 0.00 0.00 61.00 62.30 1uht s PRO 11 Cb 0.00 -2.28 -0.01 0.00 0.04 0.00 0.00 34.50 32.25 1uht s PRO 11 CO 0.00 -0.31 1.16 -1.12 0.04 0.00 0.00 177.00 176.77 1uht s SER 12 N -1.80 5.05 -0.44 6.66 0.01 0.48 -4.62 113.70 119.03 1uht s SER 12 Ca 0.63 2.21 -0.21 0.00 1.31 0.00 0.00 55.95 59.89 1uht s SER 12 Cb -0.19 -2.58 0.02 0.00 0.21 0.00 0.00 66.02 63.49 1uht s SER 12 CO 0.23 -1.68 0.66 -0.22 0.41 0.00 0.00 173.24 172.64 1uht s LEU 13 N -4.53 4.48 -0.48 2.44 2.96 0.15 -2.10 118.68 121.61 1uht s LEU 13 Ca 0.72 -0.32 -0.12 0.00 -0.22 0.00 0.00 54.13 54.20 1uht s LEU 13 Cb -0.25 -2.75 0.11 0.00 0.50 0.00 0.00 46.19 43.79 1uht s LEU 13 CO 0.37 -0.79 0.37 -0.60 -1.32 0.00 0.00 176.35 174.38 1uht s ARG 14 N 2.87 2.69 -0.47 1.98 3.52 -0.82 -1.60 118.95 127.11 1uht s ARG 14 Ca 0.23 -1.63 -0.23 0.00 -0.13 0.00 0.00 55.73 53.97 1uht s ARG 14 Cb -0.14 -4.01 0.03 0.00 -1.56 0.00 0.00 34.95 29.27 1uht s ARG 14 CO 0.19 -1.15 0.79 -0.51 -0.81 0.00 0.00 175.30 173.81 1uht s LEU 15 N 1.47 4.30 -0.24 -0.88 1.43 -0.96 -2.05 118.68 121.75 1uht s LEU 15 Ca 0.04 -0.24 -0.10 0.00 -1.03 0.00 0.00 54.13 52.80 1uht s LEU 15 Cb -0.26 -2.88 -0.05 0.00 0.03 0.00 0.00 46.19 43.03 1uht s LEU 15 CO 0.02 -0.97 0.15 -0.69 0.23 0.00 0.00 176.35 175.09 1uht s VAL 16 N 3.33 5.29 -0.99 -1.59 1.01 -0.39 -0.85 120.40 126.21 1uht s VAL 16 Ca 0.28 0.16 -0.22 0.00 0.00 0.00 0.00 61.98 62.20 1uht s VAL 16 Cb -0.13 -3.46 0.07 0.00 0.00 0.00 0.00 36.38 32.86 1uht s VAL 16 CO 0.21 0.35 1.35 -0.36 0.00 0.00 0.00 175.10 176.66 1uht s PHE 17 N 1.02 2.68 0.15 5.22 0.08 0.21 0.45 117.98 127.79 1uht s PHE 17 Ca 0.07 -0.97 0.10 0.00 0.12 0.00 0.00 56.93 56.25 1uht s PHE 17 Cb -0.13 -4.58 0.06 0.00 -0.57 0.00 0.00 43.02 37.79 1uht s PHE 17 CO 0.04 -1.82 1.43 -0.39 -0.10 0.00 0.00 175.22 174.39 1uht h VAL 18 N 6.51 1.50 -4.27 -0.44 -1.51 -1.66 0.92 116.25 117.30 1uht h VAL 18 Ca 0.17 -2.77 -0.39 0.00 -1.23 0.00 0.00 66.70 62.49 1uht h VAL 18 Cb 1.02 2.52 -0.10 0.00 -2.13 0.00 0.00 31.29 32.60 1uht h VAL 18 CO 1.34 0.77 -0.35 0.29 -1.23 0.00 0.00 177.57 178.39 1uht n LYS 19 N -3.50 0.45 0.00 5.19 5.02 -0.96 -4.67 118.16 119.69 1uht n LYS 19 Ca -0.00 -2.57 0.00 0.00 -2.02 0.00 0.00 58.31 53.72 1uht n LYS 19 Cb 0.79 1.81 0.00 0.00 -0.02 0.00 0.00 35.03 37.61 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 -0.32 -2.36 0.12 0.72 0.00 0.37 -3.25 105.19 100.47 1uht n GLY 20 Ca 0.02 -1.77 0.13 0.00 0.00 0.00 0.00 46.02 44.39 1uht n GLY 20 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1uht n PRO 21 N -0.16 0.23 -0.26 1.61 -0.04 -1.26 -2.26 135.00 132.86 1uht n PRO 21 Ca 0.00 0.32 0.11 0.00 -0.04 0.00 0.00 63.50 63.89 1uht n PRO 21 Cb 0.00 -1.85 0.25 0.00 -0.04 0.00 0.00 33.50 31.86 1uht n PRO 21 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1uht n ARG 22 N -2.27 2.57 -1.52 0.54 1.74 -1.26 -4.98 116.66 111.49 1uht n ARG 22 Ca 0.04 -2.39 -0.59 0.00 -0.77 0.00 0.00 57.85 54.13 1uht n ARG 22 Cb 0.33 -1.50 -0.09 0.00 -1.02 0.00 0.00 32.46 30.17 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 1.44 0.50 0.00 5.56 0.00 -0.96 -0.21 120.64 126.97 1uht n GLU 23 Ca 0.20 0.16 0.00 0.00 0.00 0.00 0.00 57.16 57.53 1uht n GLU 23 Cb 0.59 -1.84 0.00 0.00 0.00 0.00 0.00 31.44 30.19 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 5.69 1.02 3.93 8.31 0.00 0.32 -4.97 105.19 119.49 1uht n GLY 24 Ca 0.40 0.00 -0.20 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 -1.53 5.59 -0.20 1.61 1.11 0.71 -4.93 116.67 119.03 1uht s ASP 25 Ca 0.00 -0.38 -0.24 0.00 0.18 0.00 0.00 52.55 52.11 1uht s ASP 25 Cb 0.00 -1.02 0.06 0.00 1.07 0.00 0.00 42.92 43.03 1uht s ASP 25 CO 0.00 -0.44 0.64 0.00 1.18 0.00 0.00 175.17 176.55 1uht s ALA 26 N -2.27 -1.60 0.37 5.23 0.00 -1.26 0.67 121.76 122.89 1uht s ALA 26 Ca 0.44 1.69 0.04 0.00 0.00 0.00 0.00 51.96 54.13 1uht s ALA 26 Cb -0.07 -0.84 -0.05 0.00 0.00 0.00 0.00 23.12 22.16 1uht s ALA 26 CO 0.29 -0.32 0.07 -0.51 0.00 0.00 0.00 175.76 175.30 1uht s LEU 27 N 0.01 2.15 -0.11 0.00 1.43 -0.03 -4.97 118.68 117.16 1uht s LEU 27 Ca -0.02 -1.48 -0.11 0.00 -1.03 0.00 0.00 54.13 51.48 1uht s LEU 27 Cb -0.04 -0.34 0.03 0.00 0.03 0.00 0.00 46.19 45.87 1uht s LEU 27 CO 0.03 -0.72 0.31 -0.62 0.23 0.00 0.00 176.35 175.58 1uht s ASP 28 N -3.56 -0.32 -0.02 2.29 2.15 -1.25 -2.27 116.67 113.69 1uht s ASP 28 Ca 0.31 0.61 -0.05 0.00 0.43 0.00 0.00 52.55 53.85 1uht s ASP 28 Cb 0.06 0.62 0.00 0.00 -0.30 0.00 0.00 42.92 43.31 1uht s ASP 28 CO 0.14 -0.11 0.10 -0.31 -0.17 0.00 0.00 175.17 174.82 1uht s TYR 29 N 0.14 0.00 0.84 -5.34 2.02 -0.63 -4.96 117.35 109.43 1uht s TYR 29 Ca -0.00 0.00 -0.11 0.00 -0.37 0.00 0.00 57.07 56.59 1uht s TYR 29 Cb -0.02 -0.03 0.10 0.00 -0.40 0.00 0.00 41.96 41.60 1uht s TYR 29 CO 0.00 -0.17 1.09 0.15 -1.57 0.00 0.00 175.55 175.06 1uht s LYS 30 N -0.76 1.73 0.06 -0.62 1.02 -1.26 -0.68 119.74 119.23 1uht s LYS 30 Ca -0.08 0.75 -0.30 0.00 0.02 0.00 0.00 55.97 56.36 1uht s LYS 30 Cb -0.05 -1.87 -0.05 0.00 -0.52 0.00 0.00 37.83 35.34 1uht s LYS 30 CO 0.01 -1.90 1.17 -1.25 -0.92 0.00 0.00 175.35 172.45 1uht s PRO 31 N -5.04 4.45 0.00 -1.68 0.04 -1.26 -3.06 135.00 128.46 1uht s PRO 31 Ca 0.62 1.72 0.00 0.00 0.04 0.00 0.00 61.00 63.38 1uht s PRO 31 Cb -0.16 -3.36 0.00 0.00 0.04 0.00 0.00 34.50 31.02 1uht s PRO 31 CO 0.56 -0.22 0.00 0.41 0.04 0.00 0.00 177.00 177.78 1uht n GLY 32 N 3.14 0.92 3.18 0.56 0.00 -1.26 -5.06 105.19 106.68 1uht n GLY 32 Ca 0.08 -0.06 -0.36 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.06 5.19 0.05 1.61 0.01 -1.17 -4.94 113.70 112.40 1uht s SER 33 Ca 0.00 -1.56 -0.30 0.00 1.31 0.00 0.00 55.95 55.39 1uht s SER 33 Cb 0.00 -1.82 -0.09 0.00 0.21 0.00 0.00 66.02 64.33 1uht s SER 33 CO 0.00 -0.41 1.82 -0.89 0.41 0.00 0.00 173.24 174.17 1uht s THR 34 N 1.26 2.97 -0.45 1.44 2.01 -1.26 -4.80 115.64 116.80 1uht s THR 34 Ca 0.01 0.23 -0.11 0.00 0.31 0.00 0.00 61.69 62.14 1uht s THR 34 Cb -0.21 -3.15 0.09 0.00 0.01 0.00 0.00 72.50 69.24 1uht s THR 34 CO -0.01 -0.01 0.32 -0.63 -0.69 0.00 0.00 174.62 173.60 1uht s ILE 35 N 3.54 4.47 -0.51 1.82 1.09 0.27 -4.87 121.20 127.01 1uht s ILE 35 Ca 0.81 -1.45 -0.25 0.00 -1.10 0.00 0.00 60.65 58.66 1uht s ILE 35 Cb -0.42 -3.79 0.03 0.00 -1.06 0.00 0.00 42.46 37.23 1uht s ILE 35 CO 0.36 -0.62 0.95 -0.13 -0.10 0.00 0.00 174.94 175.41 1uht s ARG 36 N 1.46 3.44 -0.23 2.79 0.52 -1.26 -0.74 118.95 124.92 1uht s ARG 36 Ca 0.04 -0.03 -0.12 0.00 -0.52 0.00 0.00 55.73 55.10 1uht s ARG 36 Cb -0.25 -3.99 -0.05 0.00 0.52 0.00 0.00 34.95 31.19 1uht s ARG 36 CO 0.02 -1.38 0.21 0.08 0.02 0.00 0.00 175.30 174.25 1uht s VAL 37 N 3.93 5.33 0.00 3.52 1.01 -1.16 -0.75 120.40 132.28 1uht s VAL 37 Ca 0.34 0.28 0.00 0.00 0.00 0.00 0.00 61.98 62.61 1uht s VAL 37 Cb -0.11 -3.55 0.00 0.00 0.00 0.00 0.00 36.38 32.72 1uht s VAL 37 CO 0.23 0.32 0.00 0.61 0.00 0.00 0.00 175.10 176.26 1uht n GLY 38 N 4.23 4.56 0.11 4.51 0.00 0.68 -2.87 105.19 116.41 1uht n GLY 38 Ca -0.14 -1.00 -0.15 0.00 0.00 0.00 0.00 46.02 44.74 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 0.62 -3.90 1.61 0.63 0.11 -1.37 116.66 114.36 1uht n ARG 39 Ca 0.00 0.11 -0.36 0.00 -0.92 0.00 0.00 57.85 56.68 1uht n ARG 39 Cb 0.00 -1.44 -0.07 0.00 0.45 0.00 0.00 32.46 31.40 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 -2.44 5.36 0.29 5.15 -4.36 -1.26 -3.85 121.20 120.08 1uht s ILE 40 Ca -0.28 0.16 0.01 0.00 -0.26 0.00 0.00 60.65 60.28 1uht s ILE 40 Cb 0.07 -3.35 0.11 0.00 1.25 0.00 0.00 42.46 40.54 1uht s ILE 40 CO 0.53 0.58 1.77 -0.37 0.24 0.00 0.00 174.94 177.69 1uht h VAL 41 N 4.16 1.24 -0.19 8.37 -1.51 -1.87 -3.41 116.25 123.03 1uht h VAL 41 Ca -0.51 -1.04 -0.66 0.00 -1.23 0.00 0.00 66.70 63.25 1uht h VAL 41 Cb 1.21 1.07 -0.05 0.00 -2.13 0.00 0.00 31.29 31.39 1uht h VAL 41 CO 0.61 0.35 1.48 0.54 -1.23 0.00 0.00 177.57 179.32 1uht n ARG 42 N -4.20 0.17 -3.24 5.19 1.74 -1.26 -0.44 116.66 114.61 1uht n ARG 42 Ca 0.01 0.04 -0.13 0.00 -0.77 0.00 0.00 57.85 57.00 1uht n ARG 42 Cb 0.33 -1.69 0.05 0.00 -1.02 0.00 0.00 32.46 30.13 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 7.03 -1.18 3.64 -0.13 0.00 -1.26 -5.03 105.19 108.26 1uht n GLY 43 Ca 0.56 0.55 -0.05 0.00 0.00 0.00 0.00 46.02 47.08 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 -3.29 -0.56 0.21 1.61 0.01 0.41 -5.01 114.94 108.32 1uht s ASN 44 Ca 0.34 0.94 -0.08 0.00 -0.71 0.00 0.00 52.86 53.34 1uht s ASN 44 Cb -0.05 1.17 0.15 0.00 0.41 0.00 0.00 41.25 42.92 1uht s ASN 44 CO 0.75 -0.15 1.76 -0.33 -1.51 0.00 0.00 177.10 177.63 1uht h GLU 45 N 5.79 1.18 -4.09 -0.60 4.39 -1.22 -3.43 114.58 116.60 1uht h GLU 45 Ca -0.28 -0.23 -0.35 0.00 0.34 0.00 0.00 59.36 58.84 1uht h GLU 45 Cb 1.19 -0.18 -0.31 0.00 -0.10 0.00 0.00 28.75 29.35 1uht h GLU 45 CO 0.17 0.97 -0.76 0.42 -1.16 0.00 0.00 179.01 178.65 1uht s ILE 46 N -5.50 0.39 -0.13 3.13 1.01 -0.60 -4.95 121.20 114.54 1uht s ILE 46 Ca -0.12 -0.12 -0.03 0.00 0.00 0.00 0.00 60.65 60.37 1uht s ILE 46 Cb 0.15 -0.39 0.05 0.00 0.01 0.00 0.00 42.46 42.29 1uht s ILE 46 CO 0.84 0.15 0.06 0.00 0.00 0.00 0.00 174.94 175.99 1uht s ALA 47 N 0.41 0.57 -0.47 9.38 0.00 -1.26 -0.23 121.76 130.16 1uht s ALA 47 Ca -0.05 -0.26 -0.14 0.00 0.00 0.00 0.00 51.96 51.52 1uht s ALA 47 Cb -0.08 -0.93 0.08 0.00 0.00 0.00 0.00 23.12 22.19 1uht s ALA 47 CO -0.00 -0.90 0.37 0.42 0.00 0.00 0.00 175.76 175.65 1uht s ILE 48 N 2.05 4.94 -0.85 0.00 1.01 -0.47 -4.80 121.20 123.08 1uht s ILE 48 Ca 0.02 -1.22 -0.08 0.00 0.00 0.00 0.00 60.65 59.37 1uht s ILE 48 Cb -0.15 -4.00 -0.07 0.00 0.01 0.00 0.00 42.46 38.25 1uht s ILE 48 CO -0.07 -0.60 2.03 0.29 0.00 0.00 0.00 174.94 176.59 1uht n LYS 49 N 5.13 1.90 0.00 2.79 5.02 -1.25 -4.40 118.16 127.35 1uht n LYS 49 Ca -0.12 -1.49 0.00 0.00 -2.02 0.00 0.00 58.31 54.68 1uht n LYS 49 Cb 0.43 -2.52 0.00 0.00 -0.02 0.00 0.00 35.03 32.92 1uht n LYS 49 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1uht n ASP 50 N 4.84 0.00 0.00 4.39 2.03 -1.26 -4.98 116.55 121.58 1uht n ASP 50 Ca 0.44 0.06 0.00 0.00 0.52 0.00 0.00 54.79 55.80 1uht n ASP 50 Cb 0.18 -0.11 0.00 0.00 -0.72 0.00 0.00 41.12 40.46 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 -1.29 0.00 0.20 -1.67 0.00 -1.26 -4.93 120.51 111.56 1uht n ALA 51 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.56 1uht n ALA 51 Cb 0.00 0.00 0.63 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 -2.52 0.00 0.00 -1.94 -3.41 103.07 95.20 1uht h GLY 52 Ca 0.00 0.00 -0.49 0.00 0.00 0.00 0.00 47.33 46.84 1uht h GLY 52 CO 0.00 0.00 -0.06 -0.42 0.00 0.00 0.00 176.54 176.06 1uht s ILE 53 N -3.61 5.00 0.33 2.60 1.01 -1.26 -4.23 121.20 121.04 1uht s ILE 53 Ca -0.03 -0.08 0.04 0.00 0.00 0.00 0.00 60.65 60.59 1uht s ILE 53 Cb 0.07 -3.83 -0.06 0.00 0.01 0.00 0.00 42.46 38.64 1uht s ILE 53 CO 0.21 -0.62 0.04 -0.44 0.00 0.00 0.00 174.94 174.13 1uht s SER 54 N -3.86 2.52 0.10 3.58 0.01 -1.26 -4.75 113.70 110.04 1uht s SER 54 Ca 0.44 -1.36 -0.26 0.00 1.31 0.00 0.00 55.95 56.08 1uht s SER 54 Cb -0.10 -0.12 -0.09 0.00 0.21 0.00 0.00 66.02 65.92 1uht s SER 54 CO 0.38 -0.57 1.43 0.71 0.41 0.00 0.00 173.24 175.59 1uht h THR 55 N 2.10 0.00 -2.53 1.44 1.35 -1.92 0.33 112.91 113.68 1uht h THR 55 Ca -0.41 0.00 -0.71 0.00 -0.55 0.00 0.00 66.41 64.74 1uht h THR 55 Cb 1.24 0.00 -0.35 0.00 -1.73 0.00 0.00 68.15 67.32 1uht h THR 55 CO 0.70 0.00 0.13 0.29 -0.25 0.00 0.00 175.52 176.40 1uht n LYS 56 N -4.78 3.65 0.15 4.72 4.01 -1.26 -3.41 118.16 121.23 1uht n LYS 56 Ca -0.03 -4.64 -0.06 0.00 -0.51 0.00 0.00 58.31 53.07 1uht n LYS 56 Cb 0.27 -2.39 -0.03 0.00 -0.51 0.00 0.00 35.03 32.38 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 4.67 -0.35 -3.96 2.13 2.76 -1.62 -3.44 115.15 115.33 1uht h HIS 57 Ca 0.22 -0.01 -0.15 0.00 -2.20 0.00 0.00 60.37 58.22 1uht h HIS 57 Cb 0.61 0.12 -0.10 0.00 1.55 0.00 0.00 27.41 29.59 1uht h HIS 57 CO 0.90 -0.22 -0.23 -0.48 -1.30 0.00 0.00 177.93 176.60 1uht s LEU 58 N -6.14 0.68 -0.03 0.26 0.05 -1.14 -2.80 118.68 109.56 1uht s LEU 58 Ca -0.06 -1.18 0.01 0.00 0.05 0.00 0.00 54.13 52.96 1uht s LEU 58 Cb 0.01 1.42 0.01 0.00 -2.05 0.00 0.00 46.19 45.58 1uht s LEU 58 CO 0.17 -1.13 -0.05 -0.60 -0.55 0.00 0.00 176.35 174.18 1uht s ARG 59 N -3.75 0.74 -0.14 1.48 3.52 -1.07 -2.96 118.95 116.77 1uht s ARG 59 Ca 0.28 -0.15 -0.04 0.00 -0.13 0.00 0.00 55.73 55.69 1uht s ARG 59 Cb 0.01 -0.74 -0.03 0.00 -1.56 0.00 0.00 34.95 32.63 1uht s ARG 59 CO 0.13 -0.01 0.01 0.42 -0.81 0.00 0.00 175.30 175.04 1uht s ILE 60 N 0.57 4.34 0.27 4.11 1.01 0.08 -2.75 121.20 128.83 1uht s ILE 60 Ca -0.07 -0.21 -0.05 0.00 0.00 0.00 0.00 60.65 60.32 1uht s ILE 60 Cb -0.11 -2.90 -0.01 0.00 0.01 0.00 0.00 42.46 39.45 1uht s ILE 60 CO 0.00 0.52 0.36 -1.83 0.00 0.00 0.00 174.94 173.99 1uht s GLU 61 N -0.05 1.56 0.30 2.79 4.04 -0.74 0.95 118.70 127.56 1uht s GLU 61 Ca 0.04 -1.56 0.10 0.00 0.04 0.00 0.00 54.97 53.59 1uht s GLU 61 Cb -0.13 0.39 -0.05 0.00 0.02 0.00 0.00 34.13 34.37 1uht s GLU 61 CO 0.02 -0.61 -0.03 0.45 -1.84 0.00 0.00 175.26 173.24 1uht s SER 62 N -3.15 4.20 -0.43 0.83 0.15 -1.26 0.46 113.70 114.51 1uht s SER 62 Ca 0.31 -0.87 0.04 0.00 0.70 0.00 0.00 55.95 56.12 1uht s SER 62 Cb 0.02 -0.60 0.12 0.00 -1.71 0.00 0.00 66.02 63.85 1uht s SER 62 CO 0.14 -0.10 0.17 -0.62 1.20 0.00 0.00 173.24 174.03 1uht s ASP 63 N -3.66 4.43 0.00 5.45 2.15 0.42 -4.85 116.67 120.60 1uht s ASP 63 Ca 0.33 -2.57 0.00 0.00 0.43 0.00 0.00 52.55 50.74 1uht s ASP 63 Cb -0.03 -1.55 0.00 0.00 -0.30 0.00 0.00 42.92 41.04 1uht s ASP 63 CO 0.19 -0.30 0.00 -0.24 -0.17 0.00 0.00 175.17 174.64 1uht n SER 64 N 3.69 0.00 -2.06 -0.34 2.88 -1.26 -1.54 113.62 114.99 1uht n SER 64 Ca 0.04 0.00 0.02 0.00 -1.33 0.00 0.00 58.87 57.60 1uht n SER 64 Cb 0.37 0.00 0.03 0.00 -0.75 0.00 0.00 64.21 63.86 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 0.00 1.33 3.20 0.46 0.00 -1.26 -4.86 105.19 104.06 1uht n GLY 65 Ca 0.00 -0.87 -0.09 0.00 0.00 0.00 0.00 46.02 45.06 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 -2.64 0.24 -0.10 1.61 -0.87 -0.59 -4.69 114.94 107.89 1uht s ASN 66 Ca 0.29 -1.05 -0.01 0.00 -1.57 0.00 0.00 52.86 50.51 1uht s ASN 66 Cb 0.35 0.33 -0.03 0.00 -0.02 0.00 0.00 41.25 41.88 1uht s ASN 66 CO -0.11 -0.76 -0.05 0.26 -2.57 0.00 0.00 177.10 173.87 1uht s TRP 67 N -4.00 3.00 0.03 2.20 0.52 -1.26 0.16 118.94 119.60 1uht s TRP 67 Ca 0.19 -0.07 0.01 0.00 0.02 0.00 0.00 56.10 56.25 1uht s TRP 67 Cb 0.06 -1.81 -0.02 0.00 -1.15 0.00 0.00 33.47 30.55 1uht s TRP 67 CO -0.01 0.22 -0.06 0.14 0.02 0.00 0.00 176.95 177.26 1uht s VAL 68 N -0.39 0.38 0.09 4.03 -7.23 0.17 0.74 120.40 118.19 1uht s VAL 68 Ca 0.06 -0.98 0.10 0.00 -1.81 0.00 0.00 61.98 59.35 1uht s VAL 68 Cb -0.12 -0.47 -0.04 0.00 0.56 0.00 0.00 36.38 36.31 1uht s VAL 68 CO 0.02 -0.40 -0.26 -0.51 -0.31 0.00 0.00 175.10 173.64 1uht s ILE 69 N -1.35 2.29 -0.03 -0.62 2.07 -0.09 -1.79 121.20 121.69 1uht s ILE 69 Ca -0.12 -1.57 -0.00 0.00 -1.41 0.00 0.00 60.65 57.56 1uht s ILE 69 Cb -0.10 -1.97 0.03 0.00 0.13 0.00 0.00 42.46 40.55 1uht s ILE 69 CO -0.00 0.21 0.02 -1.58 -1.91 0.00 0.00 174.94 171.68 1uht s GLN 70 N -1.72 0.06 -0.57 3.50 0.74 -1.11 -2.93 119.66 117.64 1uht s GLN 70 Ca 0.13 0.17 -0.24 0.00 0.05 0.00 0.00 55.36 55.48 1uht s GLN 70 Cb -0.10 -0.35 0.05 0.00 1.10 0.00 0.00 33.01 33.71 1uht s GLN 70 CO 0.05 -0.17 0.95 0.34 -0.55 0.00 0.00 175.29 175.90 1uht s ASP 71 N 1.16 6.31 -0.79 6.67 2.15 -1.25 -2.60 116.67 128.33 1uht s ASP 71 Ca -0.08 -0.45 -0.06 0.00 0.43 0.00 0.00 52.55 52.40 1uht s ASP 71 Cb -0.13 -2.43 -0.08 0.00 -0.30 0.00 0.00 42.92 39.98 1uht s ASP 71 CO -0.03 -1.26 2.23 0.18 -0.17 0.00 0.00 175.17 176.12 1uht n LEU 72 N 7.51 4.88 -3.59 -1.34 4.32 -1.12 -3.71 117.00 123.95 1uht n LEU 72 Ca 0.01 -2.85 -0.23 0.00 -0.02 0.00 0.00 56.01 52.92 1uht n LEU 72 Cb 0.47 -1.08 -0.06 0.00 -1.62 0.00 0.00 43.42 41.13 1uht n LEU 72 CO 0.64 0.77 -0.23 0.61 -1.22 0.00 0.00 177.39 177.96 1uht n GLY 73 N 3.54 -0.15 3.39 -0.72 0.00 -1.26 -4.75 105.19 105.24 1uht n GLY 73 Ca 0.43 0.09 -0.33 0.00 0.00 0.00 0.00 46.02 46.21 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 -2.21 -3.44 1.61 3.41 -1.22 -4.78 113.62 105.42 1uht n SER 74 Ca -0.10 0.28 -0.40 0.00 -0.26 0.00 0.00 58.87 58.39 1uht n SER 74 Cb 0.39 -1.17 -0.02 0.00 -0.26 0.00 0.00 64.21 63.14 1uht n SER 74 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1uht n SER 75 N -1.23 7.40 0.00 4.04 7.64 -1.26 -3.42 113.62 126.78 1uht n SER 75 Ca 0.06 -2.69 0.00 0.00 1.01 0.00 0.00 58.87 57.25 1uht n SER 75 Cb 0.54 -1.57 0.00 0.00 -1.01 0.00 0.00 64.21 62.17 1uht n SER 75 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 1uht n ASN 76 N 4.11 0.00 0.00 6.43 2.85 -1.26 -4.98 115.26 122.41 1uht n ASN 76 Ca 0.70 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 55.17 1uht n ASN 76 Cb 0.28 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.30 1uht n ASN 76 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1uht n GLY 77 N 0.00 2.72 3.73 8.20 0.00 -1.22 -5.08 105.19 113.54 1uht n GLY 77 Ca 0.00 -1.81 -0.31 0.00 0.00 0.00 0.00 46.02 43.90 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 -2.34 4.35 -0.04 2.61 2.01 -1.26 -4.60 115.64 116.37 1uht s THR 78 Ca 0.00 -0.72 0.07 0.00 0.31 0.00 0.00 61.69 61.35 1uht s THR 78 Cb 0.00 -3.03 -0.01 0.00 0.01 0.00 0.00 72.50 69.46 1uht s THR 78 CO 0.00 0.22 -0.25 -0.76 -0.69 0.00 0.00 174.62 173.15 1uht s LEU 79 N -2.06 2.05 -0.25 4.42 1.43 -0.79 -0.48 118.68 123.00 1uht s LEU 79 Ca 0.25 -0.48 0.02 0.00 -1.03 0.00 0.00 54.13 52.89 1uht s LEU 79 Cb -0.12 -1.32 0.06 0.00 0.03 0.00 0.00 46.19 44.84 1uht s LEU 79 CO 0.17 0.27 -0.10 -0.22 0.23 0.00 0.00 176.35 176.70 1uht s LEU 80 N -0.33 3.14 0.00 1.79 2.96 0.21 -1.16 118.68 125.29 1uht s LEU 80 Ca 0.02 -1.30 0.00 0.00 -0.22 0.00 0.00 54.13 52.63 1uht s LEU 80 Cb -0.12 -1.45 0.00 0.00 0.50 0.00 0.00 46.19 45.12 1uht s LEU 80 CO 0.02 -0.19 0.00 0.59 -1.32 0.00 0.00 176.35 175.45 1uht n ASN 81 N 4.50 0.00 -3.08 3.68 3.02 0.97 -1.88 115.26 122.48 1uht n ASN 81 Ca -0.14 0.00 -0.16 0.00 -0.03 0.00 0.00 54.58 54.25 1uht n ASN 81 Cb 0.43 0.00 -0.00 0.00 -0.61 0.00 0.00 39.78 39.60 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 2.06 0.02 -3.64 6.41 7.64 -1.26 -4.91 113.62 119.93 1uht n SER 82 Ca 0.00 -3.17 -0.03 0.00 1.01 0.00 0.00 58.87 56.68 1uht n SER 82 Cb 0.00 0.01 -0.06 0.00 -1.01 0.00 0.00 64.21 63.15 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 -2.11 -0.09 -0.19 6.43 2.47 -0.79 -5.13 114.94 115.53 1uht s ASN 83 Ca 0.35 0.15 -0.25 0.00 0.42 0.00 0.00 52.86 53.53 1uht s ASN 83 Cb 0.33 0.14 -0.01 0.00 -1.45 0.00 0.00 41.25 40.26 1uht s ASN 83 CO -0.08 -0.04 0.82 0.00 -3.72 0.00 0.00 177.10 174.09 1uht s ALA 84 N -0.28 3.55 1.04 1.71 0.00 -1.26 0.65 121.76 127.17 1uht s ALA 84 Ca 0.07 -0.02 -0.12 0.00 0.00 0.00 0.00 51.96 51.89 1uht s ALA 84 Cb -0.04 -3.24 0.21 0.00 0.00 0.00 0.00 23.12 20.06 1uht s ALA 84 CO -0.12 -0.72 1.07 -0.51 0.00 0.00 0.00 175.76 175.48 1uht s LEU 85 N 2.32 1.61 0.09 0.00 1.43 0.36 -4.93 118.68 119.57 1uht s LEU 85 Ca 0.37 1.57 0.10 0.00 -1.03 0.00 0.00 54.13 55.14 1uht s LEU 85 Cb -0.16 -3.72 -0.03 0.00 0.03 0.00 0.00 46.19 42.30 1uht s LEU 85 CO 0.11 -3.50 -0.26 -0.62 0.23 0.00 0.00 176.35 172.31 1uht s ASP 86 N -2.90 3.14 0.14 2.29 2.15 -1.26 -4.70 116.67 115.53 1uht s ASP 86 Ca 0.66 -0.66 -0.04 0.00 0.43 0.00 0.00 52.55 52.94 1uht s ASP 86 Cb -0.22 -0.24 -0.06 0.00 -0.30 0.00 0.00 42.92 42.10 1uht s ASP 86 CO 0.61 0.20 1.34 1.55 -0.17 0.00 0.00 175.17 178.69 1uht h PRO 87 N 4.34 0.45 -0.59 4.34 0.13 -1.97 -3.01 132.00 135.69 1uht h PRO 87 Ca -0.48 -0.44 0.00 0.00 -0.87 0.00 0.00 66.00 64.21 1uht h PRO 87 Cb 1.16 0.11 0.00 0.00 0.13 0.00 0.00 31.00 32.40 1uht h PRO 87 CO 0.41 1.09 0.00 0.39 -0.23 0.00 0.00 178.00 179.66 1uht n GLU 88 N -3.79 2.50 -3.84 0.86 1.02 -1.26 -4.70 120.64 111.42 1uht n GLU 88 Ca -0.06 -1.55 -0.13 0.00 -0.02 0.00 0.00 57.16 55.40 1uht n GLU 88 Cb 0.79 -1.61 -0.14 0.00 -0.02 0.00 0.00 31.44 30.46 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 -1.71 -0.01 -0.10 2.62 2.01 -1.14 -5.14 115.64 112.17 1uht s THR 89 Ca 0.28 0.04 0.02 0.00 0.31 0.00 0.00 61.69 62.34 1uht s THR 89 Cb 0.18 -0.06 0.01 0.00 0.01 0.00 0.00 72.50 72.64 1uht s THR 89 CO 0.13 0.02 -0.15 -0.44 -0.69 0.00 0.00 174.62 173.49 1uht s SER 90 N 0.23 2.33 0.33 3.53 0.01 -1.26 -4.25 113.70 114.63 1uht s SER 90 Ca -0.02 -0.40 0.08 0.00 1.31 0.00 0.00 55.95 56.92 1uht s SER 90 Cb -0.03 -1.04 -0.03 0.00 0.21 0.00 0.00 66.02 65.13 1uht s SER 90 CO -0.01 0.02 0.24 -0.69 0.41 0.00 0.00 173.24 173.21 1uht s VAL 91 N 0.94 3.44 -0.38 3.43 1.01 -1.15 -4.94 120.40 122.75 1uht s VAL 91 Ca -0.08 -1.47 -0.18 0.00 0.00 0.00 0.00 61.98 60.25 1uht s VAL 91 Cb -0.15 -3.13 0.01 0.00 0.00 0.00 0.00 36.38 33.10 1uht s VAL 91 CO -0.00 -0.19 0.48 0.54 0.00 0.00 0.00 175.10 175.93 1uht s ASN 92 N -3.94 6.26 0.82 3.32 2.20 -1.26 -0.91 114.94 121.42 1uht s ASN 92 Ca 0.39 -0.31 -0.16 0.00 -0.94 0.00 0.00 52.86 51.85 1uht s ASN 92 Cb -0.05 -2.25 -0.06 0.00 -2.00 0.00 0.00 41.25 36.89 1uht s ASN 92 CO 0.25 -0.53 0.07 0.18 -2.94 0.00 0.00 177.10 174.13 1uht n LEU 93 N 5.72 -1.78 -4.13 3.54 4.77 0.23 -4.90 117.00 120.44 1uht n LEU 93 Ca -0.06 0.43 -0.10 0.00 -0.03 0.00 0.00 56.01 56.26 1uht n LEU 93 Cb 0.48 -1.05 -0.10 0.00 -2.33 0.00 0.00 43.42 40.42 1uht n LEU 93 CO 0.46 -4.21 -0.38 -0.83 -1.33 0.00 0.00 177.39 171.10 1uht s GLY 94 N -1.42 0.65 -0.28 -0.72 0.00 -1.26 -4.71 107.32 99.58 1uht s GLY 94 Ca 0.56 -1.24 -0.29 0.00 0.00 0.00 0.00 44.72 43.75 1uht s GLY 94 CO 0.68 -1.34 1.52 -0.35 0.00 0.00 0.00 173.10 173.61 1uht s ASP 95 N -2.82 6.39 0.00 1.64 -1.08 -1.26 -2.09 116.67 117.45 1uht s ASP 95 Ca 0.08 1.35 0.00 0.00 -0.52 0.00 0.00 52.55 53.45 1uht s ASP 95 Cb 0.04 -2.53 0.00 0.00 -1.46 0.00 0.00 42.92 38.96 1uht s ASP 95 CO -0.05 -1.29 0.00 0.61 0.52 0.00 0.00 175.17 174.95 1uht n GLY 96 N 4.73 1.10 3.64 2.66 0.00 0.50 -4.98 105.19 112.84 1uht n GLY 96 Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 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 6.66 -0.22 1.61 1.11 -0.89 -4.83 116.67 118.10 1uht s ASP 97 Ca 0.00 0.81 -0.18 0.00 0.18 0.00 0.00 52.55 53.36 1uht s ASP 97 Cb 0.00 -2.36 -0.03 0.00 1.07 0.00 0.00 42.92 41.60 1uht s ASP 97 CO 0.00 -0.36 0.49 -0.69 1.18 0.00 0.00 175.17 175.79 1uht s VAL 98 N 2.37 5.11 -0.47 -1.27 1.01 -1.26 -0.90 120.40 124.99 1uht s VAL 98 Ca 0.29 0.87 -0.12 0.00 0.00 0.00 0.00 61.98 63.02 1uht s VAL 98 Cb -0.16 -3.81 0.10 0.00 0.00 0.00 0.00 36.38 32.51 1uht s VAL 98 CO 0.09 0.16 0.37 -0.63 0.00 0.00 0.00 175.10 175.09 1uht s ILE 99 N 1.82 4.70 -0.53 2.22 1.01 0.52 -0.02 121.20 130.92 1uht s ILE 99 Ca 0.22 -1.45 -0.20 0.00 0.00 0.00 0.00 60.65 59.22 1uht s ILE 99 Cb -0.15 -3.94 0.06 0.00 0.01 0.00 0.00 42.46 38.43 1uht s ILE 99 CO 0.09 -0.68 0.71 -0.54 0.00 0.00 0.00 174.94 174.52 1uht s LYS 100 N 1.50 3.15 0.22 2.79 1.02 -0.31 -0.04 119.74 128.07 1uht s LYS 100 Ca 0.04 -0.82 0.07 0.00 0.02 0.00 0.00 55.97 55.28 1uht s LYS 100 Cb -0.26 -4.12 -0.05 0.00 -0.52 0.00 0.00 37.83 32.89 1uht s LYS 100 CO 0.03 -1.34 -0.12 -0.48 -0.92 0.00 0.00 175.35 172.52 1uht s LEU 101 N 2.96 2.53 0.00 3.17 2.34 0.99 -1.89 118.68 128.78 1uht s LEU 101 Ca 0.18 -1.06 0.00 0.00 0.06 0.00 0.00 54.13 53.31 1uht s LEU 101 Cb -0.18 -0.65 0.00 0.00 -0.56 0.00 0.00 46.19 44.80 1uht s LEU 101 CO 0.12 -0.22 0.00 0.61 -1.06 0.00 0.00 176.35 175.81 1uht n GLY 102 N -0.42 1.34 0.04 -3.48 0.00 -1.26 -2.35 105.19 99.05 1uht n GLY 102 Ca -0.07 -0.72 -0.03 0.00 0.00 0.00 0.00 46.02 45.20 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 12.75 0.24 -2.52 1.61 1.02 -1.26 -4.76 120.64 127.71 1uht n GLU 103 Ca 0.00 0.36 -0.11 0.00 -0.02 0.00 0.00 57.16 57.39 1uht n GLU 103 Cb 0.00 -1.20 0.04 0.00 -0.02 0.00 0.00 31.44 30.25 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 -3.47 1.89 -3.99 -0.32 4.01 -1.26 -5.05 117.16 108.96 1uht n TYR 104 Ca -0.04 -2.28 -0.35 0.00 -0.16 0.00 0.00 57.90 55.07 1uht n TYR 104 Cb 0.15 -0.27 -0.13 0.00 -0.31 0.00 0.00 39.34 38.78 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 -4.12 4.02 -0.03 -0.72 2.01 -0.99 0.14 115.64 115.94 1uht s THR 105 Ca 0.37 -0.29 0.04 0.00 0.31 0.00 0.00 61.69 62.12 1uht s THR 105 Cb 0.37 -2.83 -0.00 0.00 0.01 0.00 0.00 72.50 70.04 1uht s THR 105 CO -0.01 0.41 -0.14 -0.44 -0.69 0.00 0.00 174.62 173.74 1uht s SER 106 N 1.13 1.81 -0.05 3.53 0.01 -1.23 -0.01 113.70 118.90 1uht s SER 106 Ca 0.03 -0.29 0.05 0.00 1.31 0.00 0.00 55.95 57.05 1uht s SER 106 Cb -0.14 -0.42 -0.01 0.00 0.21 0.00 0.00 66.02 65.66 1uht s SER 106 CO 0.02 0.14 -0.21 -0.63 0.41 0.00 0.00 173.24 172.96 1uht s ILE 107 N -0.03 1.76 -0.10 1.44 1.01 0.94 -1.91 121.20 124.31 1uht s ILE 107 Ca -0.01 -0.91 -0.05 0.00 0.00 0.00 0.00 60.65 59.68 1uht s ILE 107 Cb -0.09 -1.49 -0.04 0.00 0.01 0.00 0.00 42.46 40.85 1uht s ILE 107 CO 0.01 0.50 0.11 -0.22 0.00 0.00 0.00 174.94 175.33 1uht s LEU 108 N -0.11 4.18 -0.34 2.97 2.96 0.17 0.19 118.68 128.71 1uht s LEU 108 Ca -0.03 0.37 -0.09 0.00 -0.22 0.00 0.00 54.13 54.16 1uht s LEU 108 Cb -0.12 -2.08 0.02 0.00 0.50 0.00 0.00 46.19 44.51 1uht s LEU 108 CO 0.03 0.38 0.15 -0.69 -1.32 0.00 0.00 176.35 174.90 1uht s VAL 109 N -1.03 4.29 -0.13 1.68 1.01 -0.08 -1.27 120.40 124.86 1uht s VAL 109 Ca 0.16 -0.83 0.02 0.00 0.00 0.00 0.00 61.98 61.34 1uht s VAL 109 Cb -0.12 -3.34 0.01 0.00 0.00 0.00 0.00 36.38 32.93 1uht s VAL 109 CO 0.06 -0.12 -0.20 0.20 0.00 0.00 0.00 175.10 175.03 1uht s ASN 110 N 1.52 2.96 -0.46 3.32 0.02 -0.87 0.19 114.94 121.62 1uht s ASN 110 Ca 0.02 -0.57 -0.26 0.00 -1.02 0.00 0.00 52.86 51.03 1uht s ASN 110 Cb -0.19 -1.36 0.03 0.00 0.02 0.00 0.00 41.25 39.75 1uht s ASN 110 CO 0.05 0.06 0.95 -0.36 0.02 0.00 0.00 177.10 177.83 1uht s PHE 111 N 0.86 2.91 -0.29 2.20 0.08 -1.26 -1.95 117.98 120.53 1uht s PHE 111 Ca -0.07 0.44 -0.17 0.00 0.12 0.00 0.00 56.93 57.26 1uht s PHE 111 Cb -0.15 -4.02 -0.02 0.00 -0.57 0.00 0.00 43.02 38.25 1uht s PHE 111 CO -0.02 -1.11 0.45 0.14 -0.10 0.00 0.00 175.22 174.58 1uht s VAL 112 N 3.84 5.10 -0.10 -0.44 -7.23 -0.89 -4.89 120.40 115.78 1uht s VAL 112 Ca 0.38 0.58 -0.09 0.00 -1.81 0.00 0.00 61.98 61.05 1uht s VAL 112 Cb -0.10 -3.81 -0.05 0.00 0.56 0.00 0.00 36.38 32.98 1uht s VAL 112 CO 0.27 0.03 -0.19 -0.24 -0.31 0.00 0.00 175.10 174.66 1uht n SER 113 N 5.50 1.30 0.00 4.85 2.88 -1.26 -0.39 113.62 126.50 1uht n SER 113 Ca -0.06 0.21 0.00 0.00 -1.33 0.00 0.00 58.87 57.69 1uht n SER 113 Cb 0.50 -0.49 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 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 2.24 0.76 3.57 0.46 0.00 -1.26 -4.95 105.19 106.01 1uht n GLY 114 Ca -0.18 -2.06 -0.41 0.00 0.00 0.00 0.00 46.02 43.36 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 -1.21 3.12 0.02 1.61 0.04 -1.26 -4.96 135.00 132.36 1uht s PRO 115 Ca 0.00 0.42 0.00 0.00 0.04 0.00 0.00 61.00 61.47 1uht s PRO 115 Cb 0.00 -4.20 -0.02 0.00 0.04 0.00 0.00 34.50 30.32 1uht s PRO 115 CO 0.00 -2.16 -0.04 -1.54 0.04 0.00 0.00 177.00 173.30 1uht s SER 116 N 5.27 0.34 -0.28 6.66 1.04 -1.26 -5.13 113.70 120.34 1uht s SER 116 Ca 0.54 -0.43 -0.03 0.00 0.48 0.00 0.00 55.95 56.52 1uht s SER 116 Cb -0.11 0.07 0.09 0.00 0.10 0.00 0.00 66.02 66.17 1uht s SER 116 CO 0.23 -0.23 0.11 -0.55 0.98 0.00 0.00 173.24 173.78 1uht s SER 117 N -1.23 3.59 0.00 7.02 0.15 -1.26 -5.23 113.70 116.73 1uht s SER 117 Ca -0.12 -1.33 0.00 0.00 0.70 0.00 0.00 55.95 55.20 1uht s SER 117 Cb -0.08 -0.54 0.00 0.00 -1.71 0.00 0.00 66.02 63.69 1uht s SER 117 CO -0.01 -0.42 0.00 0.61 1.20 0.00 0.00 173.24 174.63