#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 -8.11 -4.89 1.61 7.64 -1.26 -4.97 113.62 103.64 1uht n SER 2 Ca 0.00 1.15 -0.31 0.00 1.01 0.00 0.00 58.87 60.71 1uht n SER 2 Cb 0.00 -4.29 -0.05 0.00 -1.01 0.00 0.00 64.21 58.86 1uht n SER 2 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1uht s SER 3 N -2.91 6.24 0.00 6.43 0.01 -1.26 -5.09 113.70 117.12 1uht s SER 3 Ca 0.00 0.25 0.00 0.00 1.31 0.00 0.00 55.95 57.51 1uht s SER 3 Cb 0.00 -1.90 0.00 0.00 0.21 0.00 0.00 66.02 64.33 1uht s SER 3 CO 0.00 0.19 0.00 0.61 0.41 0.00 0.00 173.24 174.45 1uht n GLY 4 N 0.46 0.59 2.69 3.44 0.00 -1.26 -5.15 105.19 105.96 1uht n GLY 4 Ca -0.07 0.61 -0.25 0.00 0.00 0.00 0.00 46.02 46.32 1uht n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1uht s SER 5 N 0.00 2.16 0.00 1.61 0.15 -1.26 -5.05 113.70 111.31 1uht s SER 5 Ca 0.00 -0.45 0.00 0.00 0.70 0.00 0.00 55.95 56.20 1uht s SER 5 Cb 0.00 -0.36 0.00 0.00 -1.71 0.00 0.00 66.02 63.95 1uht s SER 5 CO 0.00 -0.29 0.12 -1.20 1.20 0.00 0.00 173.24 173.07 1uht n SER 6 N 5.19 0.00 0.00 5.45 7.64 -1.26 -5.10 113.62 125.55 1uht n SER 6 Ca -0.07 0.54 0.00 0.00 1.01 0.00 0.00 58.87 60.35 1uht n SER 6 Cb 0.49 -0.48 0.00 0.00 -1.01 0.00 0.00 64.21 63.21 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 1.64 -0.82 3.41 0.23 0.00 -1.26 -5.16 105.19 103.24 1uht n GLY 7 Ca 0.00 -0.24 -0.12 0.00 0.00 0.00 0.00 46.02 45.66 1uht n GLY 7 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1uht s MET 8 N -0.54 0.57 0.00 1.61 0.00 -1.26 -5.02 119.30 114.66 1uht s MET 8 Ca 0.00 0.80 0.17 0.00 0.00 0.00 0.00 55.69 56.66 1uht s MET 8 Cb 0.00 0.20 0.30 0.00 0.00 0.00 0.00 34.83 35.33 1uht s MET 8 CO 0.00 -0.10 1.22 1.33 0.00 0.00 0.00 175.02 177.47 1uht n VAL 9 N 3.34 0.50 -3.63 5.16 0.24 -1.26 -4.85 118.33 117.83 1uht n VAL 9 Ca -0.17 -0.75 -0.24 0.00 -2.04 0.00 0.00 64.34 61.14 1uht n VAL 9 Cb 0.56 0.93 -0.17 0.00 -1.47 0.00 0.00 33.84 33.70 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 -1.22 -0.10 0.26 3.34 2.01 -1.26 -4.86 115.64 113.81 1uht s THR 10 Ca 0.28 0.01 -0.30 0.00 0.31 0.00 0.00 61.69 61.99 1uht s THR 10 Cb 0.17 -0.45 -0.09 0.00 0.01 0.00 0.00 72.50 72.13 1uht s THR 10 CO 0.23 -0.15 1.09 -2.16 -0.69 0.00 0.00 174.62 172.94 1uht s PRO 11 N 2.15 4.65 0.77 4.92 0.04 -1.26 -4.64 135.00 141.62 1uht s PRO 11 Ca 0.03 1.76 -0.15 0.00 0.04 0.00 0.00 61.00 62.68 1uht s PRO 11 Cb -0.15 -3.21 0.03 0.00 0.04 0.00 0.00 34.50 31.21 1uht s PRO 11 CO -0.07 0.21 0.96 0.45 0.04 0.00 0.00 177.00 178.58 1uht n SER 12 N 1.47 0.30 -4.52 6.66 2.88 -0.47 -4.63 113.62 115.30 1uht n SER 12 Ca -0.00 0.61 -0.43 0.00 -1.33 0.00 0.00 58.87 57.71 1uht n SER 12 Cb 0.45 -1.41 -0.06 0.00 -0.75 0.00 0.00 64.21 62.44 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 -3.49 4.43 -0.43 2.46 2.96 0.11 -2.46 118.68 122.26 1uht s LEU 13 Ca 0.71 -0.27 -0.07 0.00 -0.22 0.00 0.00 54.13 54.28 1uht s LEU 13 Cb -0.32 -2.79 0.10 0.00 0.50 0.00 0.00 46.19 43.68 1uht s LEU 13 CO 0.52 -0.81 0.27 -0.60 -1.32 0.00 0.00 176.35 174.41 1uht s ARG 14 N 2.94 2.38 -0.25 1.98 3.52 -0.87 -1.23 118.95 127.41 1uht s ARG 14 Ca 0.24 -1.68 -0.20 0.00 -0.13 0.00 0.00 55.73 53.97 1uht s ARG 14 Cb -0.14 -3.76 -0.02 0.00 -1.56 0.00 0.00 34.95 29.47 1uht s ARG 14 CO 0.20 -1.07 0.60 -0.51 -0.81 0.00 0.00 175.30 173.71 1uht s LEU 15 N 1.31 4.07 -0.19 -0.88 1.43 -1.03 -1.50 118.68 121.89 1uht s LEU 15 Ca 0.05 0.68 -0.03 0.00 -1.03 0.00 0.00 54.13 53.80 1uht s LEU 15 Cb -0.24 -2.81 -0.02 0.00 0.03 0.00 0.00 46.19 43.15 1uht s LEU 15 CO -0.01 -0.34 -0.05 -0.69 0.23 0.00 0.00 176.35 175.50 1uht s VAL 16 N 2.38 3.55 -0.85 -1.59 1.01 0.32 -1.08 120.40 124.14 1uht s VAL 16 Ca 0.25 -0.46 -0.22 0.00 0.00 0.00 0.00 61.98 61.55 1uht s VAL 16 Cb -0.16 -2.58 0.08 0.00 0.00 0.00 0.00 36.38 33.72 1uht s VAL 16 CO 0.09 0.46 1.20 -0.36 0.00 0.00 0.00 175.10 176.48 1uht s PHE 17 N 0.94 2.70 -0.17 5.22 0.08 0.23 0.13 117.98 127.11 1uht s PHE 17 Ca -0.00 -0.78 0.15 0.00 0.12 0.00 0.00 56.93 56.42 1uht s PHE 17 Cb -0.15 -4.46 0.06 0.00 -0.57 0.00 0.00 43.02 37.90 1uht s PHE 17 CO 0.01 -1.76 1.39 -0.39 -0.10 0.00 0.00 175.22 174.38 1uht h VAL 18 N 6.16 0.79 -2.98 -0.44 -1.51 -1.71 0.67 116.25 117.24 1uht h VAL 18 Ca -0.03 -2.14 -0.10 0.00 -1.23 0.00 0.00 66.70 63.20 1uht h VAL 18 Cb 1.04 2.37 -0.02 0.00 -2.13 0.00 0.00 31.29 32.54 1uht h VAL 18 CO 1.24 0.45 -0.09 0.29 -1.23 0.00 0.00 177.57 178.24 1uht n LYS 19 N -3.19 0.52 0.00 5.19 4.76 -1.09 -4.74 118.16 119.61 1uht n LYS 19 Ca 0.01 -0.66 0.00 0.00 -2.87 0.00 0.00 58.31 54.79 1uht n LYS 19 Cb 0.73 0.44 0.00 0.00 -1.84 0.00 0.00 35.03 34.36 1uht n LYS 19 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1uht n GLY 20 N 0.91 -2.17 0.21 0.72 0.00 0.45 -2.62 105.19 102.68 1uht n GLY 20 Ca 0.00 -1.47 0.09 0.00 0.00 0.00 0.00 46.02 44.64 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 -0.01 1.61 0.13 -1.91 -2.67 132.00 129.15 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 0.23 -0.10 -2.13 -0.23 0.00 0.00 178.00 175.77 1uht n ARG 22 N -3.27 1.04 -1.27 0.86 3.00 -1.26 -4.93 116.66 110.83 1uht n ARG 22 Ca 0.01 -0.48 -0.53 0.00 -0.00 0.00 0.00 57.85 56.86 1uht n ARG 22 Cb 0.51 -1.49 -0.09 0.00 0.00 0.00 0.00 32.46 31.40 1uht n ARG 22 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.63 175.72 1uht n GLU 23 N -0.56 0.00 0.00 -0.14 0.00 -1.01 0.70 120.64 119.63 1uht n GLU 23 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.32 1uht n GLU 23 Cb 0.30 -1.21 0.00 0.00 0.00 0.00 0.00 31.44 30.53 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 4.23 0.67 3.85 8.31 0.00 0.23 -4.98 105.19 117.50 1uht n GLY 24 Ca 0.32 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.05 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 -1.86 5.90 0.07 1.61 1.11 0.22 -4.92 116.67 118.80 1uht s ASP 25 Ca 0.00 0.08 -0.12 0.00 0.18 0.00 0.00 52.55 52.69 1uht s ASP 25 Cb 0.00 -1.68 0.01 0.00 1.07 0.00 0.00 42.92 42.32 1uht s ASP 25 CO 0.00 0.13 0.26 0.00 1.18 0.00 0.00 175.17 176.75 1uht s ALA 26 N -1.55 -0.52 0.29 5.23 0.00 -1.26 0.74 121.76 124.69 1uht s ALA 26 Ca 0.32 -0.24 0.03 0.00 0.00 0.00 0.00 51.96 52.07 1uht s ALA 26 Cb -0.12 0.41 -0.04 0.00 0.00 0.00 0.00 23.12 23.37 1uht s ALA 26 CO 0.25 -0.46 0.18 -0.51 0.00 0.00 0.00 175.76 175.22 1uht s LEU 27 N -2.40 1.57 -0.13 0.00 1.43 -0.24 -4.98 118.68 113.93 1uht s LEU 27 Ca -0.01 -1.57 -0.10 0.00 -1.03 0.00 0.00 54.13 51.43 1uht s LEU 27 Cb 0.01 0.33 0.04 0.00 0.03 0.00 0.00 46.19 46.60 1uht s LEU 27 CO -0.07 -0.92 0.33 1.51 0.23 0.00 0.00 176.35 177.43 1uht s ASP 28 N -3.32 -0.37 0.01 2.29 -4.77 -1.25 -2.46 116.67 106.79 1uht s ASP 28 Ca 0.38 0.69 0.00 0.00 -3.30 0.00 0.00 52.55 50.32 1uht s ASP 28 Cb 0.05 0.64 -0.01 0.00 -1.09 0.00 0.00 42.92 42.51 1uht s ASP 28 CO 0.19 -0.14 -0.03 -0.31 0.70 0.00 0.00 175.17 175.58 1uht s TYR 29 N 0.68 0.23 0.89 2.11 2.02 -0.37 -4.95 117.35 117.96 1uht s TYR 29 Ca -0.04 -0.28 -0.12 0.00 -0.37 0.00 0.00 57.07 56.26 1uht s TYR 29 Cb -0.05 -0.15 0.12 0.00 -0.40 0.00 0.00 41.96 41.48 1uht s TYR 29 CO -0.04 -0.09 1.09 -1.59 -1.57 0.00 0.00 175.55 173.35 1uht s LYS 30 N -0.79 1.33 0.15 -0.62 -2.85 -1.26 0.04 119.74 115.74 1uht s LYS 30 Ca -0.08 0.75 -0.30 0.00 -1.00 0.00 0.00 55.97 55.35 1uht s LYS 30 Cb -0.05 -1.82 -0.07 0.00 -2.06 0.00 0.00 37.83 33.82 1uht s LYS 30 CO -0.00 -2.17 1.13 -1.25 0.10 0.00 0.00 175.35 173.15 1uht s PRO 31 N -4.98 4.55 0.00 1.78 0.04 -1.26 -3.14 135.00 131.99 1uht s PRO 31 Ca 0.63 1.74 0.00 0.00 0.04 0.00 0.00 61.00 63.41 1uht s PRO 31 Cb -0.17 -3.29 0.00 0.00 0.04 0.00 0.00 34.50 31.08 1uht s PRO 31 CO 0.56 -0.01 0.00 0.41 0.04 0.00 0.00 177.00 178.00 1uht n GLY 32 N 2.28 0.82 3.25 0.56 0.00 -1.26 -5.05 105.19 105.79 1uht n GLY 32 Ca 0.04 -0.15 -0.36 0.00 0.00 0.00 0.00 46.02 45.55 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 -2.14 4.84 0.12 1.61 0.01 -1.19 -4.88 113.70 112.08 1uht s SER 33 Ca 0.00 -0.93 -0.31 0.00 1.31 0.00 0.00 55.95 56.02 1uht s SER 33 Cb 0.00 -1.77 -0.08 0.00 0.21 0.00 0.00 66.02 64.37 1uht s SER 33 CO 0.00 -0.20 1.42 -0.89 0.41 0.00 0.00 173.24 173.98 1uht s THR 34 N 1.38 3.18 -0.38 1.44 2.01 -1.26 -4.70 115.64 117.31 1uht s THR 34 Ca -0.00 0.85 -0.01 0.00 0.31 0.00 0.00 61.69 62.84 1uht s THR 34 Cb -0.18 -3.54 0.10 0.00 0.01 0.00 0.00 72.50 68.89 1uht s THR 34 CO -0.00 0.07 0.15 -0.63 -0.69 0.00 0.00 174.62 173.51 1uht s ILE 35 N 1.11 2.96 -0.69 1.82 1.01 0.20 -4.93 121.20 122.68 1uht s ILE 35 Ca 0.65 -2.11 -0.26 0.00 0.00 0.00 0.00 60.65 58.94 1uht s ILE 35 Cb -0.38 -3.05 0.04 0.00 0.01 0.00 0.00 42.46 39.08 1uht s ILE 35 CO 0.30 -0.63 1.17 -0.13 0.00 0.00 0.00 174.94 175.65 1uht s ARG 36 N 1.07 3.21 -0.20 2.79 1.81 -1.26 -0.14 118.95 126.24 1uht s ARG 36 Ca 0.08 -0.35 -0.20 0.00 -1.72 0.00 0.00 55.73 53.55 1uht s ARG 36 Cb -0.21 -4.17 -0.03 0.00 -0.45 0.00 0.00 34.95 30.09 1uht s ARG 36 CO -0.05 -1.98 0.57 0.08 -0.68 0.00 0.00 175.30 173.24 1uht s VAL 37 N 5.11 5.07 0.00 3.52 1.01 -0.88 -0.91 120.40 133.31 1uht s VAL 37 Ca 0.32 1.07 0.00 0.00 0.00 0.00 0.00 61.98 63.37 1uht s VAL 37 Cb -0.11 -3.89 0.00 0.00 0.00 0.00 0.00 36.38 32.38 1uht s VAL 37 CO 0.15 0.15 0.00 0.61 0.00 0.00 0.00 175.10 176.01 1uht n GLY 38 N 3.83 4.16 0.09 4.51 0.00 -0.30 -2.40 105.19 115.08 1uht n GLY 38 Ca -0.03 -1.12 -0.09 0.00 0.00 0.00 0.00 46.02 44.77 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 0.67 -3.70 1.61 0.63 -0.19 -2.52 116.66 113.16 1uht n ARG 39 Ca 0.00 0.09 -0.28 0.00 -0.92 0.00 0.00 57.85 56.74 1uht n ARG 39 Cb 0.00 -1.61 -0.03 0.00 0.45 0.00 0.00 32.46 31.27 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 -2.53 5.21 -0.13 5.15 -4.36 -1.26 -3.85 121.20 119.43 1uht s ILE 40 Ca -0.08 -0.32 -0.03 0.00 -0.26 0.00 0.00 60.65 59.96 1uht s ILE 40 Cb 0.07 -3.72 -0.25 0.00 1.25 0.00 0.00 42.46 39.81 1uht s ILE 40 CO 0.83 -0.14 0.33 1.33 0.24 0.00 0.00 174.94 177.53 1uht n VAL 41 N -0.55 1.72 -1.29 8.37 0.24 -1.26 -4.41 118.33 121.15 1uht n VAL 41 Ca -0.04 -0.67 -0.35 0.00 -2.04 0.00 0.00 64.34 61.24 1uht n VAL 41 Cb 0.53 -1.59 -0.13 0.00 -1.47 0.00 0.00 33.84 31.19 1uht n VAL 41 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1uht n ARG 42 N -3.39 0.00 0.00 7.34 1.74 -1.26 -0.95 116.66 120.14 1uht n ARG 42 Ca -0.32 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.76 1uht n ARG 42 Cb 1.04 -1.28 0.00 0.00 -1.02 0.00 0.00 32.46 31.21 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 5.56 1.69 3.40 -0.13 0.00 -1.26 -4.95 105.19 109.51 1uht n GLY 43 Ca 0.57 -0.11 -0.53 0.00 0.00 0.00 0.00 46.02 45.95 1uht n GLY 43 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1uht n ASN 44 N 3.82 -0.63 0.30 1.61 4.13 -0.13 -4.86 115.26 119.50 1uht n ASN 44 Ca 0.00 1.13 -0.15 0.00 1.68 0.00 0.00 54.58 57.24 1uht n ASN 44 Cb 0.00 -0.92 -0.08 0.00 -1.54 0.00 0.00 39.78 37.24 1uht n ASN 44 CO 0.00 0.00 0.00 -0.33 0.28 0.00 0.00 177.26 177.21 1uht h GLU 45 N 1.96 -0.73 -6.06 3.52 4.39 -1.27 -3.44 114.58 112.95 1uht h GLU 45 Ca -0.39 0.05 -0.68 0.00 0.34 0.00 0.00 59.36 58.68 1uht h GLU 45 Cb 1.42 0.17 -0.26 0.00 -0.10 0.00 0.00 28.75 29.97 1uht h GLU 45 CO 0.60 -0.43 -0.80 0.42 -1.16 0.00 0.00 179.01 177.65 1uht s ILE 46 N -5.14 2.82 -0.00 3.13 1.01 -1.09 -4.99 121.20 116.95 1uht s ILE 46 Ca -0.15 -0.79 0.02 0.00 0.00 0.00 0.00 60.65 59.73 1uht s ILE 46 Cb 0.02 -2.11 -0.01 0.00 0.01 0.00 0.00 42.46 40.38 1uht s ILE 46 CO 0.53 0.57 -0.08 0.00 0.00 0.00 0.00 174.94 175.96 1uht s ALA 47 N -0.38 0.64 -0.18 9.38 0.00 -1.26 -1.15 121.76 128.81 1uht s ALA 47 Ca 0.04 -0.35 -0.01 0.00 0.00 0.00 0.00 51.96 51.64 1uht s ALA 47 Cb -0.12 -0.16 0.05 0.00 0.00 0.00 0.00 23.12 22.89 1uht s ALA 47 CO 0.02 0.15 -0.03 0.42 0.00 0.00 0.00 175.76 176.32 1uht s ILE 48 N -0.23 1.05 -1.15 0.00 1.01 -1.05 -4.98 121.20 115.85 1uht s ILE 48 Ca 0.03 -0.72 -0.18 0.00 0.00 0.00 0.00 60.65 59.78 1uht s ILE 48 Cb -0.03 -1.32 -0.05 0.00 0.01 0.00 0.00 42.46 41.07 1uht s ILE 48 CO -0.00 0.01 2.08 0.29 0.00 0.00 0.00 174.94 177.31 1uht n LYS 49 N 4.88 2.25 0.00 2.79 4.76 -1.26 -4.44 118.16 127.13 1uht n LYS 49 Ca -0.11 -2.29 0.00 0.00 -2.87 0.00 0.00 58.31 53.03 1uht n LYS 49 Cb 0.47 -3.15 0.00 0.00 -1.84 0.00 0.00 35.03 30.51 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 6.98 0.00 0.00 4.39 2.03 -1.26 -4.91 116.55 123.77 1uht n ASP 50 Ca 0.51 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.82 1uht n ASP 50 Cb 0.40 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.80 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 -1.56 0.00 0.31 -1.67 0.00 -1.26 -4.93 120.51 111.40 1uht n ALA 51 Ca 0.00 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.58 1uht n ALA 51 Cb 0.00 0.00 0.77 0.00 0.00 0.00 0.00 19.45 20.22 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 -4.68 0.00 0.00 -1.94 -3.39 103.07 93.05 1uht h GLY 52 Ca 0.00 0.00 -0.59 0.00 0.00 0.00 0.00 47.33 46.74 1uht h GLY 52 CO 0.00 0.00 -0.19 -0.42 0.00 0.00 0.00 176.54 175.93 1uht s ILE 53 N -3.99 5.01 0.22 2.60 1.01 -1.26 -4.11 121.20 120.67 1uht s ILE 53 Ca -0.03 0.72 0.09 0.00 0.00 0.00 0.00 60.65 61.43 1uht s ILE 53 Cb 0.08 -3.70 -0.04 0.00 0.01 0.00 0.00 42.46 38.81 1uht s ILE 53 CO 0.26 0.42 -0.05 -0.44 0.00 0.00 0.00 174.94 175.12 1uht s SER 54 N -1.43 4.41 0.16 3.58 0.01 -1.26 -4.54 113.70 114.63 1uht s SER 54 Ca 0.30 -0.60 -0.22 0.00 1.31 0.00 0.00 55.95 56.74 1uht s SER 54 Cb -0.16 -0.79 0.05 0.00 0.21 0.00 0.00 66.02 65.33 1uht s SER 54 CO 0.16 0.06 1.34 0.35 0.41 0.00 0.00 173.24 175.56 1uht n THR 55 N -0.40 -0.54 -3.24 1.44 -2.24 -1.26 -1.03 114.28 107.02 1uht n THR 55 Ca -0.09 2.08 -0.34 0.00 -2.27 0.00 0.00 64.05 63.44 1uht n THR 55 Cb 0.57 -2.64 -0.04 0.00 -2.10 0.00 0.00 70.33 66.12 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 -5.17 3.37 0.14 -0.78 5.02 -1.26 -3.35 118.16 116.13 1uht n LYS 56 Ca 0.05 -4.63 -0.06 0.00 -2.02 0.00 0.00 58.31 51.65 1uht n LYS 56 Cb 0.28 -2.36 -0.03 0.00 -0.02 0.00 0.00 35.03 32.90 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 4.68 -0.35 -3.42 2.13 2.76 -1.32 -3.45 115.15 116.18 1uht h HIS 57 Ca 0.20 -0.01 -0.01 0.00 -2.20 0.00 0.00 60.37 58.35 1uht h HIS 57 Cb 0.64 0.12 -0.08 0.00 1.55 0.00 0.00 27.41 29.64 1uht h HIS 57 CO 0.85 -0.22 0.01 -0.48 -1.30 0.00 0.00 177.93 176.78 1uht s LEU 58 N -6.76 0.11 0.08 0.26 0.05 -1.01 -2.54 118.68 108.88 1uht s LEU 58 Ca -0.06 -0.81 0.05 0.00 0.05 0.00 0.00 54.13 53.37 1uht s LEU 58 Cb 0.01 2.11 -0.03 0.00 -2.05 0.00 0.00 46.19 46.22 1uht s LEU 58 CO 0.17 -1.21 -0.14 0.00 -0.55 0.00 0.00 176.35 174.61 1uht s ARG 59 N -3.98 0.88 0.00 1.48 1.70 -1.12 -2.08 118.95 115.82 1uht s ARG 59 Ca 0.18 -1.03 0.08 0.00 -0.47 0.00 0.00 55.73 54.49 1uht s ARG 59 Cb -0.03 -0.86 -0.02 0.00 -0.57 0.00 0.00 34.95 33.47 1uht s ARG 59 CO 0.08 0.18 -0.24 0.42 -1.08 0.00 0.00 175.30 174.67 1uht s ILE 60 N -1.49 2.31 0.16 4.99 1.01 0.81 -3.01 121.20 125.97 1uht s ILE 60 Ca 0.01 -1.14 -0.17 0.00 0.00 0.00 0.00 60.65 59.34 1uht s ILE 60 Cb -0.09 -1.86 0.04 0.00 0.01 0.00 0.00 42.46 40.56 1uht s ILE 60 CO 0.02 0.49 0.47 -1.83 0.00 0.00 0.00 174.94 174.10 1uht s GLU 61 N -0.90 1.21 0.04 2.79 1.03 -1.06 0.61 118.70 122.41 1uht s GLU 61 Ca 0.11 -0.74 0.08 0.00 0.03 0.00 0.00 54.97 54.45 1uht s GLU 61 Cb -0.10 0.50 -0.02 0.00 -0.80 0.00 0.00 34.13 33.71 1uht s GLU 61 CO 0.01 -0.50 -0.22 0.45 -1.33 0.00 0.00 175.26 173.67 1uht s SER 62 N -2.82 2.65 -0.07 0.83 0.15 -1.26 -0.43 113.70 112.75 1uht s SER 62 Ca 0.05 -0.52 -0.13 0.00 0.70 0.00 0.00 55.95 56.05 1uht s SER 62 Cb 0.00 -0.23 0.03 0.00 -1.71 0.00 0.00 66.02 64.11 1uht s SER 62 CO -0.09 0.20 0.31 -0.62 1.20 0.00 0.00 173.24 174.24 1uht s ASP 63 N -1.11 -0.25 -1.26 5.45 2.15 0.80 -4.67 116.67 117.78 1uht s ASP 63 Ca 0.09 0.36 -0.03 0.00 0.43 0.00 0.00 52.55 53.39 1uht s ASP 63 Cb -0.09 0.49 -0.01 0.00 -0.30 0.00 0.00 42.92 43.01 1uht s ASP 63 CO 0.02 -0.27 0.73 -0.24 -0.17 0.00 0.00 175.17 175.23 1uht n SER 64 N 2.11 -2.22 -4.08 -0.34 2.88 -1.26 -1.49 113.62 109.22 1uht n SER 64 Ca -0.17 -0.84 -0.31 0.00 -1.33 0.00 0.00 58.87 56.22 1uht n SER 64 Cb 0.57 -4.07 -0.02 0.00 -0.75 0.00 0.00 64.21 59.94 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 -1.55 -0.35 3.39 0.46 0.00 -1.26 -4.93 105.19 100.94 1uht n GLY 65 Ca -0.25 0.15 -0.10 0.00 0.00 0.00 0.00 46.02 45.82 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 -3.76 -0.03 -0.06 1.61 0.01 -0.56 -4.73 114.94 107.42 1uht s ASN 66 Ca 0.42 -0.80 0.02 0.00 -0.71 0.00 0.00 52.86 51.78 1uht s ASN 66 Cb -0.22 0.47 -0.03 0.00 0.41 0.00 0.00 41.25 41.88 1uht s ASN 66 CO 0.90 -0.94 -0.10 0.26 -1.51 0.00 0.00 177.10 175.71 1uht s TRP 67 N -3.95 2.84 0.05 2.20 0.52 -1.26 -0.14 118.94 119.19 1uht s TRP 67 Ca 0.16 -0.07 0.02 0.00 0.02 0.00 0.00 56.10 56.23 1uht s TRP 67 Cb 0.02 -1.68 -0.03 0.00 -1.15 0.00 0.00 33.47 30.63 1uht s TRP 67 CO 0.00 0.25 -0.07 0.14 0.02 0.00 0.00 176.95 177.29 1uht s VAL 68 N -0.73 0.52 0.07 4.03 -7.23 0.43 0.74 120.40 118.23 1uht s VAL 68 Ca 0.11 -1.17 0.09 0.00 -1.81 0.00 0.00 61.98 59.20 1uht s VAL 68 Cb -0.11 -0.72 -0.03 0.00 0.56 0.00 0.00 36.38 36.08 1uht s VAL 68 CO 0.01 -0.45 -0.25 -0.51 -0.31 0.00 0.00 175.10 173.59 1uht s ILE 69 N -1.67 2.01 -0.05 -0.62 2.07 0.02 -2.57 121.20 120.40 1uht s ILE 69 Ca -0.08 -1.44 -0.02 0.00 -1.41 0.00 0.00 60.65 57.70 1uht s ILE 69 Cb -0.08 -1.75 0.03 0.00 0.13 0.00 0.00 42.46 40.79 1uht s ILE 69 CO -0.00 0.23 0.08 -1.58 -1.91 0.00 0.00 174.94 171.75 1uht s GLN 70 N -1.47 -0.03 -0.54 3.50 2.00 -1.16 -2.68 119.66 119.27 1uht s GLN 70 Ca 0.11 0.36 -0.25 0.00 -2.00 0.00 0.00 55.36 53.57 1uht s GLN 70 Cb -0.10 -0.36 0.04 0.00 0.80 0.00 0.00 33.01 33.39 1uht s GLN 70 CO 0.03 -0.26 0.99 0.34 -0.50 0.00 0.00 175.29 175.89 1uht s ASP 71 N 1.77 6.40 -0.90 6.67 2.15 -1.26 -2.81 116.67 128.69 1uht s ASP 71 Ca -0.01 -0.15 -0.06 0.00 0.43 0.00 0.00 52.55 52.76 1uht s ASP 71 Cb -0.12 -2.46 -0.06 0.00 -0.30 0.00 0.00 42.92 39.97 1uht s ASP 71 CO -0.04 -1.25 2.17 0.18 -0.17 0.00 0.00 175.17 176.07 1uht n LEU 72 N 7.61 5.04 -3.92 -1.34 4.32 -1.05 -3.81 117.00 123.86 1uht n LEU 72 Ca 0.04 -2.93 -0.28 0.00 -0.02 0.00 0.00 56.01 52.82 1uht n LEU 72 Cb 0.48 -1.11 -0.03 0.00 -1.62 0.00 0.00 43.42 41.14 1uht n LEU 72 CO 0.65 0.72 -0.25 0.61 -1.22 0.00 0.00 177.39 177.90 1uht n GLY 73 N 3.68 -0.32 1.80 -0.72 0.00 -1.26 -4.76 105.19 103.61 1uht n GLY 73 Ca 0.45 0.18 -0.15 0.00 0.00 0.00 0.00 46.02 46.50 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 -1.73 -1.60 -4.74 1.61 3.41 -1.24 -4.98 113.62 104.35 1uht n SER 74 Ca -0.17 -0.83 -0.41 0.00 -0.26 0.00 0.00 58.87 57.20 1uht n SER 74 Cb 0.47 -0.52 -0.05 0.00 -0.26 0.00 0.00 64.21 63.86 1uht n SER 74 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1uht s SER 75 N -3.01 7.50 0.00 4.04 0.01 -1.26 -4.06 113.70 116.91 1uht s SER 75 Ca 0.36 1.93 0.00 0.00 1.31 0.00 0.00 55.95 59.56 1uht s SER 75 Cb -0.04 -2.60 0.00 0.00 0.21 0.00 0.00 66.02 63.59 1uht s SER 75 CO 0.28 -0.01 0.00 0.59 0.41 0.00 0.00 173.24 174.51 1uht n ASN 76 N 2.14 0.00 0.00 2.44 3.02 -1.26 -4.74 115.26 116.86 1uht n ASN 76 Ca 0.01 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.56 1uht n ASN 76 Cb 0.48 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.65 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 0.00 3.37 3.83 7.41 0.00 -1.26 -5.11 105.19 113.44 1uht n GLY 77 Ca 0.00 -1.81 -0.33 0.00 0.00 0.00 0.00 46.02 43.88 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 -2.16 5.03 -0.01 2.61 2.01 -1.26 -4.61 115.64 117.25 1uht s THR 78 Ca 0.00 -0.29 0.06 0.00 0.31 0.00 0.00 61.69 61.77 1uht s THR 78 Cb 0.00 -3.31 -0.03 0.00 0.01 0.00 0.00 72.50 69.17 1uht s THR 78 CO 0.00 0.36 -0.19 -0.76 -0.69 0.00 0.00 174.62 173.34 1uht s LEU 79 N -1.77 2.53 -0.27 4.42 1.43 -0.37 0.10 118.68 124.74 1uht s LEU 79 Ca 0.24 -0.35 0.01 0.00 -1.03 0.00 0.00 54.13 53.00 1uht s LEU 79 Cb -0.12 -1.49 0.08 0.00 0.03 0.00 0.00 46.19 44.69 1uht s LEU 79 CO 0.15 0.30 0.02 -0.22 0.23 0.00 0.00 176.35 176.83 1uht s LEU 80 N -0.98 2.78 0.00 1.79 2.96 0.94 -1.04 118.68 125.13 1uht s LEU 80 Ca 0.12 -1.47 0.00 0.00 -0.22 0.00 0.00 54.13 52.56 1uht s LEU 80 Cb -0.10 -1.12 0.00 0.00 0.50 0.00 0.00 46.19 45.46 1uht s LEU 80 CO 0.02 -0.32 0.00 0.59 -1.32 0.00 0.00 176.35 175.32 1uht n ASN 81 N 4.67 0.00 -2.77 3.68 3.02 0.32 -2.65 115.26 121.53 1uht n ASN 81 Ca -0.06 0.00 -0.09 0.00 -0.03 0.00 0.00 54.58 54.40 1uht n ASN 81 Cb 0.43 0.00 0.06 0.00 -0.61 0.00 0.00 39.78 39.67 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 1.22 -2.38 0.00 6.41 7.64 -1.26 -4.92 113.62 120.33 1uht n SER 82 Ca 0.00 -3.47 0.00 0.00 1.01 0.00 0.00 58.87 56.41 1uht n SER 82 Cb 0.00 1.71 0.00 0.00 -1.01 0.00 0.00 64.21 64.91 1uht n SER 82 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 1uht n ASN 83 N 0.95 0.00 -4.66 6.43 5.15 -1.09 -5.13 115.26 116.91 1uht n ASN 83 Ca 0.09 0.00 -0.43 0.00 -0.60 0.00 0.00 54.58 53.64 1uht n ASN 83 Cb 0.66 0.00 -0.02 0.00 -0.53 0.00 0.00 39.78 39.89 1uht n ASN 83 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1uht s ALA 84 N -0.64 3.65 1.31 5.20 0.00 -1.26 -0.04 121.76 129.99 1uht s ALA 84 Ca 0.00 0.21 -0.21 0.00 0.00 0.00 0.00 51.96 51.97 1uht s ALA 84 Cb 0.00 -3.54 0.33 0.00 0.00 0.00 0.00 23.12 19.91 1uht s ALA 84 CO 0.00 -1.00 1.01 -0.51 0.00 0.00 0.00 175.76 175.26 1uht s LEU 85 N 3.07 -0.22 0.06 0.00 1.43 0.29 -4.96 118.68 118.35 1uht s LEU 85 Ca 0.45 0.78 0.03 0.00 -1.03 0.00 0.00 54.13 54.37 1uht s LEU 85 Cb -0.16 -2.37 -0.03 0.00 0.03 0.00 0.00 46.19 43.67 1uht s LEU 85 CO 0.08 -4.77 -0.10 -0.62 0.23 0.00 0.00 176.35 171.16 1uht s ASP 86 N -3.45 1.19 0.13 2.29 2.15 -1.26 -4.65 116.67 113.07 1uht s ASP 86 Ca 0.70 -0.61 -0.06 0.00 0.43 0.00 0.00 52.55 53.01 1uht s ASP 86 Cb -0.12 0.01 -0.08 0.00 -0.30 0.00 0.00 42.92 42.42 1uht s ASP 86 CO 0.57 -0.18 1.32 1.55 -0.17 0.00 0.00 175.17 178.27 1uht h PRO 87 N 4.29 0.50 -1.07 4.34 0.13 -1.98 -3.13 132.00 135.08 1uht h PRO 87 Ca -0.38 -0.48 -0.30 0.00 -0.87 0.00 0.00 66.00 63.97 1uht h PRO 87 Cb 1.20 0.12 -0.17 0.00 0.13 0.00 0.00 31.00 32.28 1uht h PRO 87 CO 0.42 1.12 0.39 0.39 -0.23 0.00 0.00 178.00 180.09 1uht n GLU 88 N -3.81 1.74 -3.71 0.86 1.02 -1.26 -4.72 120.64 110.76 1uht n GLU 88 Ca -0.07 -1.70 -0.14 0.00 -0.02 0.00 0.00 57.16 55.23 1uht n GLU 88 Cb 0.80 -1.67 -0.09 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 -1.98 0.01 -0.07 2.62 2.01 -1.18 -5.16 115.64 111.90 1uht s THR 89 Ca 0.32 -0.12 0.02 0.00 0.31 0.00 0.00 61.69 62.23 1uht s THR 89 Cb 0.27 -0.67 0.01 0.00 0.01 0.00 0.00 72.50 72.12 1uht s THR 89 CO 0.05 -0.06 -0.13 -0.94 -0.69 0.00 0.00 174.62 172.84 1uht s SER 90 N -0.29 1.93 0.31 3.53 1.04 -1.26 -4.52 113.70 114.44 1uht s SER 90 Ca -0.04 -0.33 0.08 0.00 0.48 0.00 0.00 55.95 56.14 1uht s SER 90 Cb -0.03 -0.89 -0.04 0.00 0.10 0.00 0.00 66.02 65.16 1uht s SER 90 CO 0.02 0.04 0.12 -0.69 0.98 0.00 0.00 173.24 173.72 1uht s VAL 91 N 0.68 3.29 -0.36 5.02 1.01 -1.09 -4.95 120.40 123.99 1uht s VAL 91 Ca -0.14 -1.69 -0.15 0.00 0.00 0.00 0.00 61.98 59.99 1uht s VAL 91 Cb -0.16 -3.00 -0.00 0.00 0.00 0.00 0.00 36.38 33.22 1uht s VAL 91 CO 0.04 -0.24 0.36 0.54 0.00 0.00 0.00 175.10 175.80 1uht s ASN 92 N -3.82 6.17 0.64 3.32 4.22 -1.26 -0.80 114.94 123.41 1uht s ASN 92 Ca 0.36 -0.39 -0.17 0.00 -2.14 0.00 0.00 52.86 50.52 1uht s ASN 92 Cb -0.04 -2.20 -0.08 0.00 1.28 0.00 0.00 41.25 40.21 1uht s ASN 92 CO 0.22 -0.39 0.32 0.18 -2.04 0.00 0.00 177.10 175.40 1uht n LEU 93 N 5.39 -0.45 -3.98 3.54 4.77 0.23 -4.91 117.00 121.59 1uht n LEU 93 Ca -0.09 0.63 -0.09 0.00 -0.03 0.00 0.00 56.01 56.43 1uht n LEU 93 Cb 0.49 -1.10 -0.10 0.00 -2.33 0.00 0.00 43.42 40.37 1uht n LEU 93 CO 0.41 -3.58 -0.31 -0.83 -1.33 0.00 0.00 177.39 171.75 1uht s GLY 94 N -1.24 0.25 -0.05 -0.72 0.00 -1.26 -4.68 107.32 99.61 1uht s GLY 94 Ca 0.64 -0.65 -0.30 0.00 0.00 0.00 0.00 44.72 44.41 1uht s GLY 94 CO 0.60 -0.75 1.58 -0.35 0.00 0.00 0.00 173.10 174.18 1uht s ASP 95 N -1.86 6.72 0.00 1.64 2.15 -1.26 -1.87 116.67 122.18 1uht s ASP 95 Ca -0.09 2.18 0.00 0.00 0.43 0.00 0.00 52.55 55.07 1uht s ASP 95 Cb -0.05 -2.54 0.00 0.00 -0.30 0.00 0.00 42.92 40.04 1uht s ASP 95 CO -0.03 -0.88 0.00 0.61 -0.17 0.00 0.00 175.17 174.70 1uht n GLY 96 N 4.01 0.84 3.62 2.66 0.00 0.51 -4.99 105.19 111.84 1uht n GLY 96 Ca 0.16 -0.23 -0.41 0.00 0.00 0.00 0.00 46.02 45.54 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 -2.21 6.57 -0.16 1.61 1.11 -0.78 -4.83 116.67 117.97 1uht s ASP 97 Ca 0.00 0.64 -0.22 0.00 0.18 0.00 0.00 52.55 53.15 1uht s ASP 97 Cb 0.00 -2.34 -0.03 0.00 1.07 0.00 0.00 42.92 41.62 1uht s ASP 97 CO 0.00 -0.42 0.67 -0.69 1.18 0.00 0.00 175.17 175.91 1uht s VAL 98 N 2.57 5.02 -0.45 -1.27 1.01 -1.26 -0.84 120.40 125.17 1uht s VAL 98 Ca 0.26 1.30 -0.08 0.00 0.00 0.00 0.00 61.98 63.46 1uht s VAL 98 Cb -0.15 -3.99 0.11 0.00 0.00 0.00 0.00 36.38 32.35 1uht s VAL 98 CO 0.10 0.14 0.31 -0.63 0.00 0.00 0.00 175.10 175.02 1uht s ILE 99 N 1.61 4.05 -0.51 2.22 1.01 0.46 0.12 121.20 130.16 1uht s ILE 99 Ca 0.32 -1.79 -0.19 0.00 0.00 0.00 0.00 60.65 58.99 1uht s ILE 99 Cb -0.16 -3.66 0.06 0.00 0.01 0.00 0.00 42.46 38.71 1uht s ILE 99 CO 0.12 -0.73 0.63 -0.54 0.00 0.00 0.00 174.94 174.42 1uht s LYS 100 N 1.33 3.12 0.22 2.79 1.02 -0.21 0.43 119.74 128.44 1uht s LYS 100 Ca 0.06 -0.93 0.08 0.00 0.02 0.00 0.00 55.97 55.20 1uht s LYS 100 Cb -0.25 -4.11 -0.05 0.00 -0.52 0.00 0.00 37.83 32.90 1uht s LYS 100 CO -0.01 -1.24 -0.14 -0.48 -0.92 0.00 0.00 175.35 172.56 1uht s LEU 101 N 2.61 2.55 0.00 3.17 2.34 0.71 -1.24 118.68 128.83 1uht s LEU 101 Ca 0.15 -1.03 0.00 0.00 0.06 0.00 0.00 54.13 53.30 1uht s LEU 101 Cb -0.20 -0.70 0.00 0.00 -0.56 0.00 0.00 46.19 44.73 1uht s LEU 101 CO 0.11 -0.17 0.00 0.61 -1.06 0.00 0.00 176.35 175.85 1uht n GLY 102 N -0.41 1.10 0.01 -3.48 0.00 -1.26 -2.65 105.19 98.50 1uht n GLY 102 Ca -0.08 -0.66 -0.01 0.00 0.00 0.00 0.00 46.02 45.27 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 12.52 0.08 -2.49 1.61 1.02 -1.26 -4.81 120.64 127.32 1uht n GLU 103 Ca 0.00 0.14 -0.16 0.00 -0.02 0.00 0.00 57.16 57.12 1uht n GLU 103 Cb 0.00 -0.76 0.02 0.00 -0.02 0.00 0.00 31.44 30.69 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 -2.75 2.23 -4.36 -0.32 4.01 -1.26 -5.04 117.16 109.67 1uht n TYR 104 Ca -0.02 -2.60 -0.34 0.00 -0.16 0.00 0.00 57.90 54.78 1uht n TYR 104 Cb 0.07 -0.25 -0.14 0.00 -0.31 0.00 0.00 39.34 38.71 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 -4.34 3.28 -0.02 -0.72 2.01 -1.08 0.17 115.64 114.94 1uht s THR 105 Ca 0.39 -0.56 0.04 0.00 0.31 0.00 0.00 61.69 61.88 1uht s THR 105 Cb 0.40 -2.43 -0.01 0.00 0.01 0.00 0.00 72.50 70.47 1uht s THR 105 CO -0.04 0.48 -0.15 -0.44 -0.69 0.00 0.00 174.62 173.78 1uht s SER 106 N 0.82 1.80 -0.10 3.53 0.01 -1.25 -0.21 113.70 118.30 1uht s SER 106 Ca -0.03 -0.28 0.02 0.00 1.31 0.00 0.00 55.95 56.97 1uht s SER 106 Cb -0.15 -0.26 0.01 0.00 0.21 0.00 0.00 66.02 65.83 1uht s SER 106 CO 0.01 0.17 -0.16 -0.63 0.41 0.00 0.00 173.24 173.05 1uht s ILE 107 N -0.27 1.49 -0.12 1.44 1.01 0.17 -2.09 121.20 122.83 1uht s ILE 107 Ca 0.04 -0.66 -0.13 0.00 0.00 0.00 0.00 60.65 59.90 1uht s ILE 107 Cb -0.07 -1.34 -0.05 0.00 0.01 0.00 0.00 42.46 41.01 1uht s ILE 107 CO -0.00 0.44 0.31 -0.22 0.00 0.00 0.00 174.94 175.46 1uht s LEU 108 N 0.81 4.31 -0.32 2.97 0.20 0.34 0.18 118.68 127.17 1uht s LEU 108 Ca -0.10 0.61 -0.14 0.00 0.69 0.00 0.00 54.13 55.18 1uht s LEU 108 Cb -0.16 -2.39 -0.02 0.00 -0.43 0.00 0.00 46.19 43.19 1uht s LEU 108 CO 0.01 0.18 0.33 -0.69 -0.29 0.00 0.00 176.35 175.90 1uht s VAL 109 N -0.05 5.20 -0.12 1.68 1.01 -0.02 -0.52 120.40 127.58 1uht s VAL 109 Ca 0.18 0.13 0.02 0.00 0.00 0.00 0.00 61.98 62.31 1uht s VAL 109 Cb -0.14 -3.75 0.01 0.00 0.00 0.00 0.00 36.38 32.51 1uht s VAL 109 CO 0.06 0.01 -0.17 0.20 0.00 0.00 0.00 175.10 175.20 1uht s ASN 110 N 1.72 2.60 -0.38 3.32 0.02 -0.57 0.19 114.94 121.85 1uht s ASN 110 Ca 0.11 -0.47 -0.24 0.00 -1.02 0.00 0.00 52.86 51.24 1uht s ASN 110 Cb -0.16 -1.18 0.01 0.00 0.02 0.00 0.00 41.25 39.94 1uht s ASN 110 CO 0.11 0.03 0.86 -0.36 0.02 0.00 0.00 177.10 177.76 1uht s PHE 111 N 0.94 3.08 -0.20 2.20 0.08 -1.26 -2.05 117.98 120.78 1uht s PHE 111 Ca -0.07 0.63 -0.18 0.00 0.12 0.00 0.00 56.93 57.43 1uht s PHE 111 Cb -0.15 -3.56 -0.03 0.00 -0.57 0.00 0.00 43.02 38.71 1uht s PHE 111 CO -0.02 -0.81 0.49 0.14 -0.10 0.00 0.00 175.22 174.93 1uht s VAL 112 N 3.32 5.13 0.13 -0.44 -7.23 -1.03 -4.75 120.40 115.52 1uht s VAL 112 Ca 0.35 0.90 0.00 0.00 -1.81 0.00 0.00 61.98 61.42 1uht s VAL 112 Cb -0.12 -3.82 0.00 0.00 0.56 0.00 0.00 36.38 33.00 1uht s VAL 112 CO 0.19 0.20 0.00 -0.24 -0.31 0.00 0.00 175.10 174.93 1uht n SER 113 N 4.67 -1.12 0.00 4.85 2.88 -1.26 -1.37 113.62 122.26 1uht n SER 113 Ca -0.06 0.28 0.00 0.00 -1.33 0.00 0.00 58.87 57.76 1uht n SER 113 Cb 0.51 1.33 0.00 0.00 -0.75 0.00 0.00 64.21 65.30 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 -1.46 2.42 3.80 0.46 0.00 -1.26 -5.10 105.19 104.04 1uht n GLY 114 Ca 0.00 -1.35 -0.33 0.00 0.00 0.00 0.00 46.02 44.34 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 -1.99 3.52 -0.31 1.61 0.04 -1.26 -5.02 135.00 131.60 1uht s PRO 115 Ca 0.00 1.23 -0.16 0.00 0.04 0.00 0.00 61.00 62.11 1uht s PRO 115 Cb 0.00 -2.06 -0.02 0.00 0.04 0.00 0.00 34.50 32.46 1uht s PRO 115 CO 0.00 -0.65 0.40 0.45 0.04 0.00 0.00 177.00 177.24 1uht s SER 116 N -2.58 6.24 -0.09 6.66 0.15 -1.26 -5.04 113.70 117.78 1uht s SER 116 Ca 0.64 0.05 -0.08 0.00 0.70 0.00 0.00 55.95 57.26 1uht s SER 116 Cb -0.15 -2.22 0.03 0.00 -1.71 0.00 0.00 66.02 61.97 1uht s SER 116 CO 0.31 -0.29 0.24 -0.44 1.20 0.00 0.00 173.24 174.26 1uht s SER 117 N 1.70 -0.25 0.00 5.45 0.01 -1.26 -5.36 113.70 113.99 1uht s SER 117 Ca 0.15 0.48 0.00 0.00 1.31 0.00 0.00 55.95 57.89 1uht s SER 117 Cb -0.16 0.46 0.00 0.00 0.21 0.00 0.00 66.02 66.53 1uht s SER 117 CO 0.11 -0.10 0.00 0.61 0.41 0.00 0.00 173.24 174.27