#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uf0 n SER 2 N 0.00 -7.85 -3.92 1.61 2.88 -1.26 -5.05 113.62 100.04 1uf0 n SER 2 Ca 0.00 0.53 -0.20 0.00 -1.33 0.00 0.00 58.87 57.87 1uf0 n SER 2 Cb 0.00 -5.32 -0.16 0.00 -0.75 0.00 0.00 64.21 57.98 1uf0 n SER 2 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1uf0 s SER 3 N -2.57 0.99 -0.91 -3.46 0.15 -1.26 -5.09 113.70 101.55 1uf0 s SER 3 Ca 0.24 -0.14 -0.02 0.00 0.70 0.00 0.00 55.95 56.73 1uf0 s SER 3 Cb -0.07 -0.45 0.23 0.00 -1.71 0.00 0.00 66.02 64.02 1uf0 s SER 3 CO 0.75 -0.03 0.82 0.61 1.20 0.00 0.00 173.24 176.59 1uf0 n GLY 4 N 3.89 4.18 1.49 9.45 0.00 -1.26 -4.62 105.19 118.33 1uf0 n GLY 4 Ca -0.24 -2.60 0.00 0.00 0.00 0.00 0.00 46.02 43.17 1uf0 n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1uf0 n SER 5 N 2.22 0.00 -3.81 1.61 3.41 -1.26 -5.13 113.62 110.67 1uf0 n SER 5 Ca 0.22 0.00 -0.13 0.00 -0.26 0.00 0.00 58.87 58.71 1uf0 n SER 5 Cb 0.37 0.26 -0.13 0.00 -0.26 0.00 0.00 64.21 64.45 1uf0 n SER 5 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1uf0 s SER 6 N -2.57 -0.14 0.00 4.04 0.15 -1.26 -5.17 113.70 108.75 1uf0 s SER 6 Ca 0.00 0.28 0.00 0.00 0.70 0.00 0.00 55.95 56.93 1uf0 s SER 6 Cb 0.00 0.26 0.00 0.00 -1.71 0.00 0.00 66.02 64.57 1uf0 s SER 6 CO 0.00 -0.07 0.00 0.61 1.20 0.00 0.00 173.24 174.98 1uf0 n GLY 7 N 3.25 6.58 3.12 9.45 0.00 -1.26 -5.01 105.19 121.33 1uf0 n GLY 7 Ca -0.15 -2.05 -0.25 0.00 0.00 0.00 0.00 46.02 43.57 1uf0 n GLY 7 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1uf0 s LYS 8 N 0.05 1.62 -1.10 1.61 2.20 -1.26 -4.81 119.74 118.06 1uf0 s LYS 8 Ca 0.00 -0.57 -0.03 0.00 -0.36 0.00 0.00 55.97 55.01 1uf0 s LYS 8 Cb 0.00 -1.44 -0.03 0.00 -1.51 0.00 0.00 37.83 34.84 1uf0 s LYS 8 CO 0.00 0.25 0.94 1.17 -0.36 0.00 0.00 175.35 177.35 1uf0 n LYS 9 N 3.08 -4.30 -3.57 4.03 4.81 -1.26 -4.88 118.16 116.07 1uf0 n LYS 9 Ca -0.18 0.84 -0.40 0.00 -0.87 0.00 0.00 58.31 57.70 1uf0 n LYS 9 Cb 0.53 -5.77 -0.11 0.00 0.02 0.00 0.00 35.03 29.71 1uf0 n LYS 9 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1uf0 s ALA 10 N -3.37 3.39 -0.04 3.14 0.00 -1.26 -4.60 121.76 119.02 1uf0 s ALA 10 Ca 0.23 -1.50 -0.30 0.00 0.00 0.00 0.00 51.96 50.39 1uf0 s ALA 10 Cb -0.03 -2.60 -0.05 0.00 0.00 0.00 0.00 23.12 20.44 1uf0 s ALA 10 CO 0.72 -1.11 1.44 0.15 0.00 0.00 0.00 175.76 176.96 1uf0 s LYS 11 N 1.65 4.25 -0.35 0.00 1.02 -1.05 -4.73 119.74 120.53 1uf0 s LYS 11 Ca 0.05 1.97 -0.23 0.00 0.02 0.00 0.00 55.97 57.78 1uf0 s LYS 11 Cb -0.18 -3.70 0.01 0.00 -0.52 0.00 0.00 37.83 33.44 1uf0 s LYS 11 CO 0.08 -0.66 0.78 0.15 -0.92 0.00 0.00 175.35 174.78 1uf0 s LYS 12 N 2.97 3.79 -0.02 1.68 -0.14 -1.26 -0.72 119.74 126.04 1uf0 s LYS 12 Ca 0.65 0.35 0.05 0.00 -1.36 0.00 0.00 55.97 55.65 1uf0 s LYS 12 Cb -0.30 -3.79 -0.01 0.00 -1.68 0.00 0.00 37.83 32.04 1uf0 s LYS 12 CO 0.25 -0.81 -0.16 0.14 -0.76 0.00 0.00 175.35 174.01 1uf0 s VAL 13 N 3.05 1.32 -0.15 3.17 -7.23 -0.05 0.37 120.40 120.87 1uf0 s VAL 13 Ca 0.31 -0.69 -0.04 0.00 -1.81 0.00 0.00 61.98 59.75 1uf0 s VAL 13 Cb -0.13 -1.11 -0.03 0.00 0.56 0.00 0.00 36.38 35.67 1uf0 s VAL 13 CO 0.16 0.38 -0.01 -0.60 -0.31 0.00 0.00 175.10 174.71 1uf0 s ARG 14 N -0.24 3.63 -0.08 4.82 3.52 0.17 0.39 118.95 131.15 1uf0 s ARG 14 Ca 0.03 -0.46 0.05 0.00 -0.13 0.00 0.00 55.73 55.21 1uf0 s ARG 14 Cb -0.08 -2.96 -0.00 0.00 -1.56 0.00 0.00 34.95 30.35 1uf0 s ARG 14 CO 0.00 0.32 -0.24 -0.06 -0.81 0.00 0.00 175.30 174.52 1uf0 s PHE 15 N 0.17 2.46 0.08 5.12 0.08 0.12 -0.16 117.98 125.84 1uf0 s PHE 15 Ca 0.00 -0.91 0.07 0.00 0.12 0.00 0.00 56.93 56.21 1uf0 s PHE 15 Cb -0.13 -1.64 -0.04 0.00 -0.57 0.00 0.00 43.02 40.64 1uf0 s PHE 15 CO 0.02 -0.34 -0.12 0.71 -0.10 0.00 0.00 175.22 175.39 1uf0 s TYR 16 N 0.17 2.69 -0.22 0.36 1.51 -0.66 0.11 117.35 121.32 1uf0 s TYR 16 Ca -0.13 -0.18 -0.29 0.00 -1.01 0.00 0.00 57.07 55.46 1uf0 s TYR 16 Cb -0.16 -1.45 -0.00 0.00 -0.11 0.00 0.00 41.96 40.23 1uf0 s TYR 16 CO 0.07 0.37 1.20 0.50 -1.11 0.00 0.00 175.55 176.58 1uf0 s ARG 17 N -1.91 4.17 -0.37 -0.62 3.52 -1.26 -1.78 118.95 120.69 1uf0 s ARG 17 Ca 0.19 1.46 -0.27 0.00 -0.13 0.00 0.00 55.73 56.98 1uf0 s ARG 17 Cb -0.11 -3.75 -0.07 0.00 -1.56 0.00 0.00 34.95 29.46 1uf0 s ARG 17 CO 0.10 -0.78 2.33 -1.71 -0.81 0.00 0.00 175.30 174.43 1uf0 n ASN 18 N 6.75 2.71 0.00 -2.12 5.15 -1.11 -1.29 115.26 125.35 1uf0 n ASN 18 Ca 0.13 -0.14 0.00 0.00 -0.60 0.00 0.00 54.58 53.97 1uf0 n ASN 18 Cb 0.46 -1.55 0.00 0.00 -0.53 0.00 0.00 39.78 38.16 1uf0 n ASN 18 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1uf0 n GLY 19 N 5.94 1.00 3.25 8.20 0.00 -1.26 -4.87 105.19 117.44 1uf0 n GLY 19 Ca 0.34 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.07 1uf0 n GLY 19 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1uf0 s ASP 20 N -0.90 2.71 -0.10 1.61 2.15 -0.41 -5.02 116.67 116.71 1uf0 s ASP 20 Ca 0.00 -0.43 0.09 0.00 0.43 0.00 0.00 52.55 52.64 1uf0 s ASP 20 Cb 0.00 -0.45 -0.12 0.00 -0.30 0.00 0.00 42.92 42.05 1uf0 s ASP 20 CO 0.00 0.26 0.04 -2.11 -0.17 0.00 0.00 175.17 173.19 1uf0 n ARG 21 N 2.68 2.32 0.32 4.34 1.85 -1.26 -4.21 116.66 122.71 1uf0 n ARG 21 Ca -0.16 -0.01 0.20 0.00 -1.00 0.00 0.00 57.85 56.88 1uf0 n ARG 21 Cb 0.52 -1.25 1.11 0.00 -1.05 0.00 0.00 32.46 31.79 1uf0 n ARG 21 CO 0.00 0.00 0.00 1.88 -0.01 0.00 0.00 177.63 179.50 1uf0 h TYR 22 N 0.00 0.00 -0.19 2.89 0.05 -1.95 -1.63 116.97 116.14 1uf0 h TYR 22 Ca -0.26 0.00 0.06 0.00 0.05 0.00 0.00 58.73 58.58 1uf0 h TYR 22 Cb 1.58 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 39.31 1uf0 h TYR 22 CO 0.00 0.00 0.24 0.35 -1.05 0.00 0.00 178.16 177.70 1uf0 h PHE 23 N 0.00 0.00 -1.13 4.88 3.57 -1.97 -3.45 116.94 118.85 1uf0 h PHE 23 Ca 0.00 0.00 -0.34 0.00 3.53 0.00 0.00 57.97 61.17 1uf0 h PHE 23 Cb 0.07 0.00 -0.11 0.00 2.79 0.00 0.00 35.95 38.70 1uf0 h PHE 23 CO 0.00 0.00 -0.33 1.63 -2.23 0.00 0.00 178.31 177.38 1uf0 n LYS 24 N -3.69 -1.19 -1.20 1.11 5.02 -0.61 -4.75 118.16 112.85 1uf0 n LYS 24 Ca 0.02 1.02 0.14 0.00 -2.02 0.00 0.00 58.31 57.48 1uf0 n LYS 24 Cb 0.36 -5.27 -0.05 0.00 -0.02 0.00 0.00 35.03 30.05 1uf0 n LYS 24 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1uf0 n GLY 25 N -0.96 -1.84 3.04 0.72 0.00 -1.26 -4.94 105.19 99.96 1uf0 n GLY 25 Ca -0.17 -0.83 -0.18 0.00 0.00 0.00 0.00 46.02 44.84 1uf0 n GLY 25 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1uf0 s ILE 26 N -2.84 0.72 0.37 -0.61 2.07 0.29 -4.89 121.20 116.32 1uf0 s ILE 26 Ca 0.00 -0.60 -0.17 0.00 -1.41 0.00 0.00 60.65 58.47 1uf0 s ILE 26 Cb 0.00 -0.65 -0.10 0.00 0.13 0.00 0.00 42.46 41.85 1uf0 s ILE 26 CO 0.00 0.05 0.82 -0.69 -1.91 0.00 0.00 174.94 173.21 1uf0 s VAL 27 N -0.52 4.57 -0.11 4.00 1.01 -1.26 0.14 120.40 128.22 1uf0 s VAL 27 Ca 0.01 1.14 -0.08 0.00 0.00 0.00 0.00 61.98 63.05 1uf0 s VAL 27 Cb -0.05 -3.61 0.04 0.00 0.00 0.00 0.00 36.38 32.76 1uf0 s VAL 27 CO 0.00 -0.26 0.28 -0.31 0.00 0.00 0.00 175.10 174.81 1uf0 s TYR 28 N -2.09 -0.36 -0.30 5.22 1.51 0.16 -4.93 117.35 116.57 1uf0 s TYR 28 Ca 0.57 0.84 -0.12 0.00 -1.01 0.00 0.00 57.07 57.35 1uf0 s TYR 28 Cb -0.10 0.10 -0.04 0.00 -0.11 0.00 0.00 41.96 41.82 1uf0 s TYR 28 CO 0.17 -0.21 0.22 0.00 -1.11 0.00 0.00 175.55 174.62 1uf0 s ALA 29 N 0.84 3.52 -0.77 3.71 0.00 -1.26 -0.88 121.76 126.93 1uf0 s ALA 29 Ca -0.06 -1.17 -0.15 0.00 0.00 0.00 0.00 51.96 50.58 1uf0 s ALA 29 Cb -0.07 -2.57 0.19 0.00 0.00 0.00 0.00 23.12 20.67 1uf0 s ALA 29 CO -0.06 -0.71 0.75 0.42 0.00 0.00 0.00 175.76 176.16 1uf0 s ILE 30 N 1.78 5.41 0.13 0.00 -1.09 0.10 -4.73 121.20 122.80 1uf0 s ILE 30 Ca 0.07 -2.13 0.06 0.00 -2.23 0.00 0.00 60.65 56.43 1uf0 s ILE 30 Cb -0.16 -4.48 -0.04 0.00 -1.58 0.00 0.00 42.46 36.20 1uf0 s ILE 30 CO 0.11 -1.05 -0.14 -0.55 -1.23 0.00 0.00 174.94 172.07 1uf0 s SER 31 N 2.64 2.11 0.49 3.58 0.15 -1.26 -2.51 113.70 118.90 1uf0 s SER 31 Ca 0.16 -0.84 0.24 0.00 0.70 0.00 0.00 55.95 56.21 1uf0 s SER 31 Cb -0.14 -0.08 1.29 0.00 -1.71 0.00 0.00 66.02 65.37 1uf0 s SER 31 CO -0.06 -0.14 1.92 -0.65 1.20 0.00 0.00 173.24 175.51 1uf0 h PRO 32 N 3.39 0.17 -1.01 5.44 0.11 -1.86 0.20 132.00 138.44 1uf0 h PRO 32 Ca -0.40 -0.01 -0.50 0.00 0.11 0.00 0.00 66.00 65.20 1uf0 h PRO 32 Cb 1.20 -0.04 -0.29 0.00 0.11 0.00 0.00 31.00 31.98 1uf0 h PRO 32 CO 0.52 0.11 0.64 -0.25 -0.21 0.00 0.00 178.00 178.81 1uf0 n ASP 33 N -4.40 4.03 0.00 -2.05 9.92 -1.26 -4.28 116.55 118.52 1uf0 n ASP 33 Ca 0.15 -3.53 0.00 0.00 -0.53 0.00 0.00 54.79 50.88 1uf0 n ASP 33 Cb 0.72 -0.83 0.00 0.00 -0.64 0.00 0.00 41.12 40.37 1uf0 n ASP 33 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 1uf0 n ARG 34 N -1.03 0.00 -3.38 -1.24 1.74 0.55 -5.04 116.66 108.27 1uf0 n ARG 34 Ca 0.57 0.00 -0.19 0.00 -0.77 0.00 0.00 57.85 57.46 1uf0 n ARG 34 Cb 1.53 -0.14 -0.08 0.00 -1.02 0.00 0.00 32.46 32.75 1uf0 n ARG 34 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 1uf0 s PHE 35 N -1.76 -0.16 0.14 -1.55 0.08 -0.39 -4.88 117.98 109.46 1uf0 s PHE 35 Ca 0.00 -0.90 -0.16 0.00 0.12 0.00 0.00 56.93 55.99 1uf0 s PHE 35 Cb 0.00 -0.49 -0.00 0.00 -0.57 0.00 0.00 43.02 41.96 1uf0 s PHE 35 CO 0.00 -0.95 1.73 -0.09 -0.10 0.00 0.00 175.22 175.81 1uf0 h ARG 36 N 7.14 0.56 -5.15 0.44 1.12 -1.79 -3.44 114.38 113.25 1uf0 h ARG 36 Ca 0.04 -0.07 -0.60 0.00 -1.11 0.00 0.00 59.98 58.23 1uf0 h ARG 36 Cb 1.04 -0.10 -0.13 0.00 -0.01 0.00 0.00 29.97 30.77 1uf0 h ARG 36 CO 0.22 0.47 -0.53 -1.12 -3.11 0.00 0.00 179.97 175.91 1uf0 s SER 37 N -5.73 3.33 0.30 -3.80 0.01 -1.26 -5.00 113.70 101.55 1uf0 s SER 37 Ca -0.13 -1.62 0.08 0.00 1.31 0.00 0.00 55.95 55.58 1uf0 s SER 37 Cb 0.10 0.41 0.47 0.00 0.21 0.00 0.00 66.02 67.21 1uf0 s SER 37 CO 0.74 -0.85 1.70 0.15 0.41 0.00 0.00 173.24 175.40 1uf0 h PHE 38 N 1.65 0.20 -0.17 2.43 3.57 -1.88 -2.81 116.94 119.93 1uf0 h PHE 38 Ca -0.40 -0.06 -0.02 0.00 3.53 0.00 0.00 57.97 61.03 1uf0 h PHE 38 Cb 1.28 -0.04 -0.01 0.00 2.79 0.00 0.00 35.95 39.97 1uf0 h PHE 38 CO 1.39 0.59 0.01 0.93 -2.23 0.00 0.00 178.31 178.99 1uf0 h GLU 39 N 0.14 0.23 -0.03 1.11 4.39 -1.96 0.11 114.58 118.57 1uf0 h GLU 39 Ca 0.01 -0.03 -0.15 0.00 0.34 0.00 0.00 59.36 59.53 1uf0 h GLU 39 Cb 0.84 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.43 1uf0 h GLU 39 CO 0.07 0.25 -0.67 0.00 -1.16 0.00 0.00 179.01 177.50 1uf0 h ALA 40 N 1.78 0.82 0.23 3.43 0.00 -1.89 -2.88 119.26 120.75 1uf0 h ALA 40 Ca 0.06 -0.59 -0.32 0.00 0.00 0.00 0.00 54.91 54.05 1uf0 h ALA 40 Cb 0.15 -0.09 0.03 0.00 0.00 0.00 0.00 17.79 17.88 1uf0 h ALA 40 CO 0.00 0.79 -1.47 1.25 0.00 0.00 0.00 179.25 179.82 1uf0 h LEU 41 N 0.10 0.75 -1.83 0.00 5.85 -1.32 -3.28 115.31 115.57 1uf0 h LEU 41 Ca -0.01 -0.93 -0.00 0.00 0.84 0.00 0.00 57.88 57.78 1uf0 h LEU 41 Cb 1.19 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.97 1uf0 h LEU 41 CO 0.10 1.70 0.08 -0.07 -0.34 0.00 0.00 178.44 179.90 1uf0 h LEU 42 N 0.07 0.17 0.19 2.25 3.38 -0.85 -0.95 115.31 119.56 1uf0 h LEU 42 Ca -0.27 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.69 1uf0 h LEU 42 Cb 2.09 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 42.80 1uf0 h LEU 42 CO 0.24 0.14 -0.09 0.00 0.09 0.00 0.00 178.44 178.81 1uf0 h ALA 43 N 1.89 -0.25 -0.74 1.53 0.00 -1.58 -1.89 119.26 118.22 1uf0 h ALA 43 Ca 0.05 -0.15 -0.06 0.00 0.00 0.00 0.00 54.91 54.75 1uf0 h ALA 43 Cb 0.01 0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 1uf0 h ALA 43 CO -0.01 -0.51 0.21 0.22 0.00 0.00 0.00 179.25 179.16 1uf0 h ASP 44 N -0.51 1.09 -0.55 0.00 1.82 -1.55 -2.37 116.42 114.35 1uf0 h ASP 44 Ca -0.03 -0.22 0.00 0.00 -0.39 0.00 0.00 57.03 56.40 1uf0 h ASP 44 Cb 0.39 -0.29 -0.03 0.00 0.68 0.00 0.00 39.33 40.08 1uf0 h ASP 44 CO 0.04 1.02 0.35 -0.07 -1.61 0.00 0.00 179.24 178.97 1uf0 h LEU 45 N 1.11 0.65 -0.62 2.28 3.38 -1.15 -1.78 115.31 119.18 1uf0 h LEU 45 Ca 0.24 -0.03 -0.15 0.00 0.09 0.00 0.00 57.88 58.03 1uf0 h LEU 45 Cb 0.33 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.90 1uf0 h LEU 45 CO -0.00 0.49 -0.66 0.74 0.09 0.00 0.00 178.44 179.09 1uf0 h THR 46 N 0.76 1.44 -0.13 0.22 2.02 -0.95 0.48 112.91 116.75 1uf0 h THR 46 Ca 0.20 -2.18 -0.01 0.00 0.77 0.00 0.00 66.41 65.20 1uf0 h THR 46 Cb -0.05 2.16 -0.01 0.00 -1.74 0.00 0.00 68.15 68.51 1uf0 h THR 46 CO -0.04 0.63 0.06 -0.09 0.37 0.00 0.00 175.52 176.45 1uf0 h ARG 47 N 0.09 0.17 0.00 6.66 2.43 -0.82 -3.32 114.38 119.59 1uf0 h ARG 47 Ca -0.01 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 1uf0 h ARG 47 Cb 1.18 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.69 1uf0 h ARG 47 CO 0.10 0.14 -0.30 0.25 -1.51 0.00 0.00 179.97 178.65 1uf0 n THR 48 N -4.49 0.75 -1.02 0.20 -2.24 -1.15 -4.77 114.28 101.56 1uf0 n THR 48 Ca -0.01 0.27 -0.38 0.00 -2.27 0.00 0.00 64.05 61.66 1uf0 n THR 48 Cb 0.10 -1.68 -0.05 0.00 -2.10 0.00 0.00 70.33 66.61 1uf0 n THR 48 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1uf0 n LEU 49 N -3.33 4.08 -3.15 3.22 4.77 0.17 -4.58 117.00 118.18 1uf0 n LEU 49 Ca -0.04 -2.81 0.06 0.00 -0.03 0.00 0.00 56.01 53.19 1uf0 n LEU 49 Cb 0.16 -1.08 -0.02 0.00 -2.33 0.00 0.00 43.42 40.15 1uf0 n LEU 49 CO 0.06 -0.23 0.68 -0.55 -1.33 0.00 0.00 177.39 176.01 1uf0 s SER 50 N 4.74 -0.23 0.00 -1.43 0.15 -1.25 -4.53 113.70 111.16 1uf0 s SER 50 Ca 0.53 0.12 0.00 0.00 0.70 0.00 0.00 55.95 57.30 1uf0 s SER 50 Cb 0.13 1.19 0.00 0.00 -1.71 0.00 0.00 66.02 65.63 1uf0 s SER 50 CO 0.09 -0.04 0.00 0.47 1.20 0.00 0.00 173.24 174.96 1uf0 n ASP 51 N 5.42 0.00 0.03 5.45 8.00 -1.19 -4.94 116.55 129.32 1uf0 n ASP 51 Ca -0.06 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.44 1uf0 n ASP 51 Cb 0.55 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.65 1uf0 n ASP 51 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1uf0 n ASN 52 N -2.06 -0.56 0.01 -2.24 4.05 -1.26 -4.74 115.26 108.46 1uf0 n ASN 52 Ca 0.00 0.33 -0.13 0.00 0.45 0.00 0.00 54.58 55.24 1uf0 n ASN 52 Cb 0.00 0.78 -0.09 0.00 1.23 0.00 0.00 39.78 41.70 1uf0 n ASN 52 CO 0.00 0.00 0.00 0.58 -3.05 0.00 0.00 177.26 174.79 1uf0 h VAL 53 N 0.00 1.26 0.00 3.44 2.07 -1.99 -3.14 116.25 117.89 1uf0 h VAL 53 Ca 0.00 -0.87 0.00 0.00 0.82 0.00 0.00 66.70 66.65 1uf0 h VAL 53 Cb 0.00 1.85 0.00 0.00 -1.52 0.00 0.00 31.29 31.62 1uf0 h VAL 53 CO 0.00 0.22 0.00 0.59 0.02 0.00 0.00 177.57 178.40 1uf0 n ASN 54 N -4.92 0.00 -3.76 0.57 3.02 -1.26 -4.74 115.26 104.17 1uf0 n ASN 54 Ca -0.08 0.54 -0.30 0.00 -0.03 0.00 0.00 54.58 54.71 1uf0 n ASN 54 Cb 0.20 -0.30 -0.14 0.00 -0.61 0.00 0.00 39.78 38.94 1uf0 n ASN 54 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1uf0 s LEU 55 N -2.80 2.93 0.42 3.41 1.02 -1.26 -4.90 118.68 117.50 1uf0 s LEU 55 Ca 0.00 -2.49 0.19 0.00 0.02 0.00 0.00 54.13 51.85 1uf0 s LEU 55 Cb 0.00 -1.11 0.92 0.00 0.02 0.00 0.00 46.19 46.02 1uf0 s LEU 55 CO 0.00 -0.29 1.87 1.55 0.02 0.00 0.00 176.35 179.49 1uf0 h PRO 56 N 6.96 0.00 0.11 1.29 0.13 -1.84 -3.14 132.00 135.51 1uf0 h PRO 56 Ca -0.04 0.00 -0.35 0.00 -0.87 0.00 0.00 66.00 64.74 1uf0 h PRO 56 Cb 0.94 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.05 1uf0 h PRO 56 CO 0.51 0.29 -1.95 0.94 -0.23 0.00 0.00 178.00 177.56 1uf0 n GLN 57 N -3.75 0.74 0.00 0.86 7.27 -1.26 -4.85 117.38 116.39 1uf0 n GLN 57 Ca -0.01 0.27 0.00 0.00 0.07 0.00 0.00 57.00 57.33 1uf0 n GLN 57 Cb 0.39 -1.72 0.00 0.00 2.41 0.00 0.00 30.24 31.32 1uf0 n GLN 57 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1uf0 n GLY 58 N 1.93 0.41 3.15 1.69 0.00 -1.19 -5.06 105.19 106.11 1uf0 n GLY 58 Ca -0.29 -1.20 -0.26 0.00 0.00 0.00 0.00 46.02 44.26 1uf0 n GLY 58 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1uf0 s VAL 59 N -0.36 1.43 0.00 1.61 0.11 -1.26 -4.39 120.40 117.53 1uf0 s VAL 59 Ca 0.00 -0.74 0.00 0.00 -2.93 0.00 0.00 61.98 58.31 1uf0 s VAL 59 Cb 0.00 -1.21 0.00 0.00 -1.53 0.00 0.00 36.38 33.64 1uf0 s VAL 59 CO 0.00 0.41 0.00 0.54 -3.33 0.00 0.00 175.10 172.72 1uf0 n ARG 60 N 2.96 0.00 -4.01 1.54 1.74 -1.26 -5.00 116.66 112.64 1uf0 n ARG 60 Ca -0.17 0.00 -0.31 0.00 -0.77 0.00 0.00 57.85 56.60 1uf0 n ARG 60 Cb 0.53 -0.15 -0.16 0.00 -1.02 0.00 0.00 32.46 31.66 1uf0 n ARG 60 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1uf0 s THR 61 N -1.86 1.71 -0.54 0.55 2.01 -1.07 -5.04 115.64 111.40 1uf0 s THR 61 Ca 0.00 -1.07 -0.14 0.00 0.31 0.00 0.00 61.69 60.79 1uf0 s THR 61 Cb 0.00 -1.78 0.13 0.00 0.01 0.00 0.00 72.50 70.86 1uf0 s THR 61 CO 0.00 0.16 0.48 -0.63 -0.69 0.00 0.00 174.62 173.94 1uf0 s ILE 62 N 1.36 4.99 0.64 1.82 1.01 -1.25 -1.82 121.20 127.95 1uf0 s ILE 62 Ca -0.02 -1.64 -0.11 0.00 0.00 0.00 0.00 60.65 58.88 1uf0 s ILE 62 Cb -0.16 -4.21 -0.03 0.00 0.01 0.00 0.00 42.46 38.07 1uf0 s ILE 62 CO -0.08 -0.86 1.04 -0.31 0.00 0.00 0.00 174.94 174.73 1uf0 s TYR 63 N 1.44 3.46 1.01 3.97 2.02 0.44 0.79 117.35 130.48 1uf0 s TYR 63 Ca 0.05 1.34 -0.14 0.00 -0.37 0.00 0.00 57.07 57.94 1uf0 s TYR 63 Cb -0.28 -2.77 0.19 0.00 -0.40 0.00 0.00 41.96 38.70 1uf0 s TYR 63 CO 0.01 -0.86 1.12 0.95 -1.57 0.00 0.00 175.55 175.20 1uf0 s THR 64 N -3.13 1.93 0.39 -0.71 -4.23 0.26 0.19 115.64 110.35 1uf0 s THR 64 Ca 0.56 0.00 0.08 0.00 -1.18 0.00 0.00 61.69 61.15 1uf0 s THR 64 Cb -0.12 -2.60 0.21 0.00 1.34 0.00 0.00 72.50 71.33 1uf0 s THR 64 CO 0.54 0.00 1.98 -0.29 -0.54 0.00 0.00 174.62 176.31 1uf0 h ILE 65 N -1.89 1.14 -0.01 2.99 6.09 -1.89 -2.95 117.51 121.00 1uf0 h ILE 65 Ca -0.51 -0.50 -0.01 0.00 -1.37 0.00 0.00 64.86 62.47 1uf0 h ILE 65 Cb 1.32 0.85 0.00 0.00 0.47 0.00 0.00 36.82 39.46 1uf0 h ILE 65 CO 0.54 0.18 -0.04 -0.78 -3.07 0.00 0.00 178.15 174.98 1uf0 h ASP 66 N 0.41 0.06 0.00 2.19 3.58 -1.92 -3.48 116.42 117.26 1uf0 h ASP 66 Ca 0.10 -0.61 0.00 0.00 0.42 0.00 0.00 57.03 56.94 1uf0 h ASP 66 Cb 0.17 -0.02 0.00 0.00 1.72 0.00 0.00 39.33 41.20 1uf0 h ASP 66 CO -0.00 0.66 0.00 0.61 -2.88 0.00 0.00 179.24 177.62 1uf0 n GLY 67 N 0.55 1.32 1.44 -0.78 0.00 -1.11 -5.06 105.19 101.56 1uf0 n GLY 67 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.93 1uf0 n GLY 67 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1uf0 n LEU 68 N 0.00 0.53 -4.83 0.99 4.77 -1.26 -4.97 117.00 112.22 1uf0 n LEU 68 Ca 0.00 0.27 -0.32 0.00 -0.03 0.00 0.00 56.01 55.92 1uf0 n LEU 68 Cb 0.00 -0.02 -0.03 0.00 -2.33 0.00 0.00 43.42 41.04 1uf0 n LEU 68 CO 0.00 -0.75 0.69 -0.54 -1.33 0.00 0.00 177.39 175.46 1uf0 s LYS 69 N -1.91 3.85 -0.13 3.23 -0.14 -1.26 -4.90 119.74 118.48 1uf0 s LYS 69 Ca 0.00 1.05 0.01 0.00 -1.36 0.00 0.00 55.97 55.66 1uf0 s LYS 69 Cb 0.00 -2.12 0.02 0.00 -1.68 0.00 0.00 37.83 34.05 1uf0 s LYS 69 CO 0.00 -0.36 -0.13 -1.59 -0.76 0.00 0.00 175.35 172.51 1uf0 s LYS 70 N -3.92 2.04 -0.12 1.68 -2.85 -1.26 -0.57 119.74 114.74 1uf0 s LYS 70 Ca 0.61 -0.47 -0.29 0.00 -1.00 0.00 0.00 55.97 54.81 1uf0 s LYS 70 Cb -0.11 -1.88 -0.03 0.00 -2.06 0.00 0.00 37.83 33.74 1uf0 s LYS 70 CO 0.30 -0.19 1.44 0.42 0.10 0.00 0.00 175.35 177.41 1uf0 s ILE 71 N 1.39 3.97 -0.05 3.79 -1.09 0.24 -4.85 121.20 124.60 1uf0 s ILE 71 Ca 0.01 1.17 0.00 0.00 -2.23 0.00 0.00 60.65 59.61 1uf0 s ILE 71 Cb -0.13 -3.77 -0.03 0.00 -1.58 0.00 0.00 42.46 36.95 1uf0 s ILE 71 CO -0.07 -0.12 -0.04 -0.24 -1.23 0.00 0.00 174.94 173.24 1uf0 n SER 72 N 6.90 3.64 -4.01 3.58 2.88 -1.26 -3.92 113.62 121.43 1uf0 n SER 72 Ca 0.15 -0.02 -0.20 0.00 -1.33 0.00 0.00 58.87 57.47 1uf0 n SER 72 Cb 0.44 -0.06 -0.01 0.00 -0.75 0.00 0.00 64.21 63.84 1uf0 n SER 72 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1uf0 n SER 73 N -2.62 2.40 0.02 -3.46 7.64 -1.26 -4.78 113.62 111.55 1uf0 n SER 73 Ca -0.08 -2.40 -0.17 0.00 1.01 0.00 0.00 58.87 57.23 1uf0 n SER 73 Cb 0.59 0.03 -0.14 0.00 -1.01 0.00 0.00 64.21 63.68 1uf0 n SER 73 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 1uf0 h LEU 74 N 0.00 0.31 -1.76 -3.43 3.38 -1.94 -3.35 115.31 108.53 1uf0 h LEU 74 Ca -0.26 -0.59 -0.02 0.00 0.09 0.00 0.00 57.88 57.10 1uf0 h LEU 74 Cb 0.91 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 41.55 1uf0 h LEU 74 CO 0.41 1.51 -0.08 0.44 0.09 0.00 0.00 178.44 180.81 1uf0 h ASP 75 N 0.05 0.04 -0.20 -0.43 3.32 -1.99 -1.82 116.42 115.41 1uf0 h ASP 75 Ca -0.33 -0.00 0.02 0.00 0.02 0.00 0.00 57.03 56.74 1uf0 h ASP 75 Cb 2.03 -0.01 -0.01 0.00 0.22 0.00 0.00 39.33 41.56 1uf0 h ASP 75 CO 0.11 0.14 0.13 1.56 -1.72 0.00 0.00 179.24 179.46 1uf0 h GLN 76 N 0.05 0.17 -7.00 3.56 4.20 -1.99 -3.42 115.11 110.67 1uf0 h GLN 76 Ca 0.01 -0.01 -0.49 0.00 0.06 0.00 0.00 58.65 58.22 1uf0 h GLN 76 Cb 0.18 -0.04 0.03 0.00 0.30 0.00 0.00 27.48 27.96 1uf0 h GLN 76 CO 0.01 0.11 0.42 -0.51 -0.67 0.00 0.00 178.83 178.20 1uf0 s LEU 77 N -9.17 4.03 0.22 1.46 1.43 -0.68 -5.06 118.68 110.91 1uf0 s LEU 77 Ca -0.06 2.09 0.11 0.00 -1.03 0.00 0.00 54.13 55.23 1uf0 s LEU 77 Cb 0.18 -4.29 -0.04 0.00 0.03 0.00 0.00 46.19 42.06 1uf0 s LEU 77 CO 0.70 -0.68 -0.15 -0.69 0.23 0.00 0.00 176.35 175.75 1uf0 s VAL 78 N -1.70 2.78 -0.15 -1.59 1.01 -1.26 -5.05 120.40 114.44 1uf0 s VAL 78 Ca 0.62 -2.01 -0.29 0.00 0.00 0.00 0.00 61.98 60.29 1uf0 s VAL 78 Cb -0.22 -2.41 -0.05 0.00 0.00 0.00 0.00 36.38 33.69 1uf0 s VAL 78 CO 0.28 -0.23 1.99 -0.70 0.00 0.00 0.00 175.10 176.43 1uf0 s GLU 79 N -3.09 3.58 -0.08 2.72 2.12 -1.26 -3.68 118.70 119.00 1uf0 s GLU 79 Ca 0.26 2.08 -0.02 0.00 0.36 0.00 0.00 54.97 57.65 1uf0 s GLU 79 Cb -0.07 -4.23 0.00 0.00 0.26 0.00 0.00 34.13 30.09 1uf0 s GLU 79 CO 0.14 -1.58 0.10 0.41 -0.54 0.00 0.00 175.26 173.79 1uf0 n GLY 80 N 5.15 -0.68 3.47 -1.50 0.00 0.16 -4.88 105.19 106.91 1uf0 n GLY 80 Ca 0.24 0.04 -0.10 0.00 0.00 0.00 0.00 46.02 46.20 1uf0 n GLY 80 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1uf0 s GLU 81 N -1.83 1.39 0.03 1.61 0.41 -1.03 -5.02 118.70 114.25 1uf0 s GLU 81 Ca 0.03 -1.22 0.06 0.00 -0.41 0.00 0.00 54.97 53.42 1uf0 s GLU 81 Cb -0.01 0.43 -0.02 0.00 -1.78 0.00 0.00 34.13 32.75 1uf0 s GLU 81 CO 0.12 -0.55 -0.16 -1.12 -0.49 0.00 0.00 175.26 173.05 1uf0 s SER 82 N -3.00 1.95 0.04 -0.19 0.01 -1.26 0.42 113.70 111.66 1uf0 s SER 82 Ca 0.21 -0.44 -0.11 0.00 1.31 0.00 0.00 55.95 56.92 1uf0 s SER 82 Cb 0.01 -0.16 0.01 0.00 0.21 0.00 0.00 66.02 66.09 1uf0 s SER 82 CO 0.05 0.10 0.23 -0.31 0.41 0.00 0.00 173.24 173.73 1uf0 s TYR 83 N -0.74 -0.01 -0.15 2.43 1.51 0.78 -3.32 117.35 117.86 1uf0 s TYR 83 Ca 0.04 -0.17 -0.08 0.00 -1.01 0.00 0.00 57.07 55.85 1uf0 s TYR 83 Cb -0.08 0.02 -0.04 0.00 -0.11 0.00 0.00 41.96 41.75 1uf0 s TYR 83 CO 0.01 -0.45 0.12 0.08 -1.11 0.00 0.00 175.55 174.20 1uf0 s VAL 84 N -2.49 5.35 -0.35 0.71 1.01 0.13 -1.65 120.40 123.12 1uf0 s VAL 84 Ca -0.06 0.16 -0.11 0.00 0.00 0.00 0.00 61.98 61.97 1uf0 s VAL 84 Cb -0.01 -3.37 0.01 0.00 0.00 0.00 0.00 36.38 33.00 1uf0 s VAL 84 CO -0.03 0.55 0.20 0.00 0.00 0.00 0.00 175.10 175.81 1uf0 s GLY 86 N 1.62 0.95 -0.01 0.00 0.00 -0.75 -2.73 107.32 106.39 1uf0 s GLY 86 Ca 0.04 -0.87 0.01 0.00 0.00 0.00 0.00 44.72 43.90 1uf0 s GLY 86 CO 0.07 -0.76 -0.02 -0.45 0.00 0.00 0.00 173.10 171.95 1uf0 s SER 87 N -0.68 0.33 -0.99 1.64 0.15 -1.26 -2.59 113.70 110.30 1uf0 s SER 87 Ca 0.07 -0.04 0.00 0.00 0.70 0.00 0.00 55.95 56.68 1uf0 s SER 87 Cb -0.08 -0.08 0.00 0.00 -1.71 0.00 0.00 66.02 64.15 1uf0 s SER 87 CO 0.00 -0.00 0.00 -0.38 1.20 0.00 0.00 173.24 174.06 1uf0 n ILE 88 N 3.31 -0.50 -3.49 6.45 2.08 -1.26 -4.90 119.36 121.05 1uf0 n ILE 88 Ca -0.16 0.00 -0.15 0.00 0.56 0.00 0.00 62.75 63.00 1uf0 n ILE 88 Cb 0.57 -1.59 -0.04 0.00 -0.75 0.00 0.00 39.64 37.83 1uf0 n ILE 88 CO 0.00 0.00 0.00 -1.83 0.56 0.00 0.00 176.55 175.28 1uf0 s GLU 89 N -4.88 1.06 0.00 0.38 -1.05 -1.26 -5.16 118.70 107.79 1uf0 s GLU 89 Ca 0.00 -0.03 0.00 0.00 -0.15 0.00 0.00 54.97 54.79 1uf0 s GLU 89 Cb 0.00 0.50 0.00 0.00 -0.44 0.00 0.00 34.13 34.19 1uf0 s GLU 89 CO 0.00 -0.39 0.00 -0.35 0.95 0.00 0.00 175.26 175.47 1uf0 n PRO 90 N 0.39 -0.65 -3.42 -4.83 -0.04 -1.26 -4.91 135.00 120.28 1uf0 n PRO 90 Ca -0.17 0.00 -0.37 0.00 -0.04 0.00 0.00 63.50 62.92 1uf0 n PRO 90 Cb 0.60 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 34.00 1uf0 n PRO 90 CO 0.00 0.00 0.00 0.12 -0.04 0.00 0.00 175.50 175.58 1uf0 s PHE 91 N -0.81 3.54 -0.19 0.54 2.19 -1.26 -4.90 117.98 117.09 1uf0 s PHE 91 Ca 0.00 0.81 -0.04 0.00 0.33 0.00 0.00 56.93 58.03 1uf0 s PHE 91 Cb 0.00 -2.43 -0.02 0.00 -1.31 0.00 0.00 43.02 39.26 1uf0 s PHE 91 CO 0.00 0.28 -0.02 0.15 1.83 0.00 0.00 175.22 177.46 1uf0 s LYS 92 N 0.25 3.59 -0.55 10.12 1.02 -1.26 -5.07 119.74 127.85 1uf0 s LYS 92 Ca 0.22 -0.54 -0.28 0.00 0.02 0.00 0.00 55.97 55.39 1uf0 s LYS 92 Cb -0.15 -3.02 0.03 0.00 -0.52 0.00 0.00 37.83 34.17 1uf0 s LYS 92 CO 0.09 0.04 1.16 0.21 -0.92 0.00 0.00 175.35 175.93 1uf0 s LYS 93 N 0.89 3.57 0.06 1.68 2.36 -1.26 -4.80 119.74 122.24 1uf0 s LYS 93 Ca 0.00 0.32 0.03 0.00 -2.55 0.00 0.00 55.97 53.77 1uf0 s LYS 93 Cb -0.14 -3.98 -0.03 0.00 -1.05 0.00 0.00 37.83 32.62 1uf0 s LYS 93 CO 0.02 -1.58 -0.08 -0.51 1.55 0.00 0.00 175.35 174.74 1uf0 s LEU 94 N 4.75 2.32 -0.84 5.43 1.43 -1.26 -5.09 118.68 125.42 1uf0 s LEU 94 Ca 0.44 -0.67 -0.25 0.00 -1.03 0.00 0.00 54.13 52.62 1uf0 s LEU 94 Cb -0.08 -0.19 0.05 0.00 0.03 0.00 0.00 46.19 46.00 1uf0 s LEU 94 CO 0.27 -0.25 1.30 -1.61 0.23 0.00 0.00 176.35 176.29 1uf0 s GLU 95 N -2.16 3.35 -0.06 1.70 2.02 -1.26 -4.84 118.70 117.46 1uf0 s GLU 95 Ca -0.03 -0.70 -0.04 0.00 0.02 0.00 0.00 54.97 54.22 1uf0 s GLU 95 Cb -0.06 -4.65 -0.01 0.00 0.10 0.00 0.00 34.13 29.51 1uf0 s GLU 95 CO -0.00 -2.12 -0.07 0.66 0.02 0.00 0.00 175.26 173.75 1uf0 n TYR 96 N 8.88 0.38 -0.17 1.61 4.01 -1.26 -4.27 117.16 126.35 1uf0 n TYR 96 Ca 0.14 0.17 0.25 0.00 -0.16 0.00 0.00 57.90 58.30 1uf0 n TYR 96 Cb 0.49 -0.46 0.66 0.00 -0.31 0.00 0.00 39.34 39.72 1uf0 n TYR 96 CO 0.00 0.00 0.00 1.79 -0.46 0.00 0.00 176.86 178.19 1uf0 h THR 97 N -0.41 0.61 -0.18 -0.72 1.35 -1.95 0.19 112.91 111.80 1uf0 h THR 97 Ca 0.00 -0.04 0.05 0.00 -0.55 0.00 0.00 66.41 65.87 1uf0 h THR 97 Cb 0.20 0.50 -0.01 0.00 -1.73 0.00 0.00 68.15 67.11 1uf0 h THR 97 CO 0.00 0.02 0.13 0.11 -0.25 0.00 0.00 175.52 175.53 1uf0 h LYS 98 N 0.11 0.00 -0.91 4.72 1.57 -1.96 0.08 116.57 120.18 1uf0 h LYS 98 Ca 0.41 0.00 -0.63 0.00 -1.87 0.00 0.00 60.65 58.56 1uf0 h LYS 98 Cb 1.46 0.00 -0.35 0.00 0.08 0.00 0.00 32.23 33.42 1uf0 h LYS 98 CO -0.05 0.00 0.17 0.09 -0.57 0.00 0.00 179.45 179.09 1uf0 n ASN 99 N -4.39 6.54 0.00 0.86 3.02 0.65 -4.54 115.26 117.40 1uf0 n ASN 99 Ca 0.01 -3.77 0.00 0.00 -0.03 0.00 0.00 54.58 50.79 1uf0 n ASN 99 Cb 0.27 -0.71 0.00 0.00 -0.61 0.00 0.00 39.78 38.73 1uf0 n ASN 99 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 1uf0 n VAL 100 N -0.83 0.00 -1.32 2.41 0.31 -0.57 -4.72 118.33 113.61 1uf0 n VAL 100 Ca 0.55 0.00 0.01 0.00 -0.01 0.00 0.00 64.34 64.89 1uf0 n VAL 100 Cb 0.78 -0.10 -0.00 0.00 -0.91 0.00 0.00 33.84 33.61 1uf0 n VAL 100 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 1uf0 n ASN 101 N -2.04 -7.12 -4.57 4.52 3.02 -0.09 -4.66 115.26 104.32 1uf0 n ASN 101 Ca 0.00 1.57 -0.41 0.00 -0.03 0.00 0.00 54.58 55.72 1uf0 n ASN 101 Cb 0.00 -4.13 -0.03 0.00 -0.61 0.00 0.00 39.78 35.01 1uf0 n ASN 101 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1uf0 s PRO 102 N -5.16 2.97 -0.32 3.52 0.04 -1.26 -4.69 135.00 130.09 1uf0 s PRO 102 Ca 0.00 1.02 0.03 0.00 0.04 0.00 0.00 61.00 62.09 1uf0 s PRO 102 Cb 0.00 -4.29 0.20 0.00 0.04 0.00 0.00 34.50 30.45 1uf0 s PRO 102 CO 0.00 -2.30 1.23 -1.71 0.04 0.00 0.00 177.00 174.26 1uf0 n ASN 103 N 11.57 -1.20 0.00 6.66 5.15 -1.26 -5.02 115.26 131.16 1uf0 n ASN 103 Ca 0.22 -1.79 0.00 0.00 -0.60 0.00 0.00 54.58 52.41 1uf0 n ASN 103 Cb 0.50 1.09 0.00 0.00 -0.53 0.00 0.00 39.78 40.83 1uf0 n ASN 103 CO 0.00 0.00 0.00 -2.67 1.40 0.00 0.00 177.26 175.99 1uf0 n TRP 104 N -0.01 -0.57 -1.02 1.20 4.27 -1.26 -4.90 117.44 115.15 1uf0 n TRP 104 Ca -0.16 0.00 -0.24 0.00 -3.89 0.00 0.00 57.50 53.21 1uf0 n TRP 104 Cb 0.71 0.27 0.10 0.00 -1.36 0.00 0.00 31.31 31.03 1uf0 n TRP 104 CO 0.00 0.00 0.00 -1.13 -2.29 0.00 0.00 177.69 174.27 1uf0 n SER 105 N -2.03 5.59 0.00 -0.67 3.41 -1.26 -4.22 113.62 114.44 1uf0 n SER 105 Ca 0.00 -3.44 0.00 0.00 -0.26 0.00 0.00 58.87 55.17 1uf0 n SER 105 Cb 0.00 -0.90 0.00 0.00 -0.26 0.00 0.00 64.21 63.05 1uf0 n SER 105 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 1uf0 n VAL 106 N -0.65 0.00 -1.58 -3.33 0.31 -1.26 -5.00 118.33 106.81 1uf0 n VAL 106 Ca 0.50 0.00 -0.37 0.00 -0.01 0.00 0.00 64.34 64.47 1uf0 n VAL 106 Cb 1.02 -0.63 -0.03 0.00 -0.91 0.00 0.00 33.84 33.29 1uf0 n VAL 106 CO 0.00 0.00 0.00 0.21 -1.32 0.00 0.00 176.83 175.72 1uf0 s ASN 107 N -4.31 4.57 -0.04 4.52 3.84 -1.26 -4.92 114.94 117.34 1uf0 s ASN 107 Ca 0.00 1.14 0.01 0.00 0.21 0.00 0.00 52.86 54.22 1uf0 s ASN 107 Cb 0.00 -2.50 0.02 0.00 -0.55 0.00 0.00 41.25 38.22 1uf0 s ASN 107 CO 0.00 -2.77 -0.05 0.54 -2.79 0.00 0.00 177.10 172.04 1uf0 s VAL 108 N 11.68 0.55 -0.29 -5.21 0.11 -1.26 -5.05 120.40 120.93 1uf0 s VAL 108 Ca 0.97 -0.14 0.03 0.00 -2.93 0.00 0.00 61.98 59.90 1uf0 s VAL 108 Cb -0.19 -0.57 0.08 0.00 -1.53 0.00 0.00 36.38 34.18 1uf0 s VAL 108 CO 0.27 0.22 -0.03 -0.54 -3.33 0.00 0.00 175.10 171.69 1uf0 s LYS 109 N 0.83 1.73 -0.16 1.54 1.02 -1.26 -5.09 119.74 118.34 1uf0 s LYS 109 Ca -0.11 -1.44 -0.29 0.00 0.02 0.00 0.00 55.97 54.15 1uf0 s LYS 109 Cb -0.14 -2.87 -0.02 0.00 -0.52 0.00 0.00 37.83 34.28 1uf0 s LYS 109 CO 0.00 -0.74 1.42 0.95 -0.92 0.00 0.00 175.35 176.06 1uf0 s THR 110 N 1.13 4.00 -0.12 2.17 -4.23 -1.26 -4.91 115.64 112.42 1uf0 s THR 110 Ca 0.00 1.19 -0.28 0.00 -1.18 0.00 0.00 61.69 61.42 1uf0 s THR 110 Cb -0.19 -3.84 -0.26 0.00 1.34 0.00 0.00 72.50 69.55 1uf0 s THR 110 CO -0.08 -0.19 0.84 -1.28 -0.54 0.00 0.00 174.62 173.38 1uf0 h SER 111 N 9.06 0.05 0.00 3.99 0.87 -2.03 -3.46 113.55 122.03 1uf0 h SER 111 Ca -0.31 -0.94 0.00 0.00 -1.23 0.00 0.00 61.79 59.32 1uf0 h SER 111 Cb 1.13 -0.02 0.00 0.00 -0.44 0.00 0.00 62.40 63.07 1uf0 h SER 111 CO 0.98 0.98 0.00 0.61 -0.53 0.00 0.00 176.83 178.87 1uf0 n GLY 112 N 1.45 0.75 3.64 5.77 0.00 -1.26 -4.91 105.19 110.63 1uf0 n GLY 112 Ca -0.10 -1.42 -0.51 0.00 0.00 0.00 0.00 46.02 43.99 1uf0 n GLY 112 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1uf0 n PRO 113 N 0.00 1.55 -1.07 1.61 -0.02 -1.26 -4.96 135.00 130.85 1uf0 n PRO 113 Ca 0.00 0.56 -0.30 0.00 -2.02 0.00 0.00 63.50 61.74 1uf0 n PRO 113 Cb 0.00 -2.27 0.24 0.00 -0.02 0.00 0.00 33.50 31.45 1uf0 n PRO 113 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1uf0 s SER 114 N 1.40 0.87 -0.05 2.55 0.15 -1.26 -5.01 113.70 112.36 1uf0 s SER 114 Ca 0.86 0.63 -0.00 0.00 0.70 0.00 0.00 55.95 58.13 1uf0 s SER 114 Cb -0.86 -0.87 0.03 0.00 -1.71 0.00 0.00 66.02 62.61 1uf0 s SER 114 CO 0.47 -4.15 -0.01 -0.55 1.20 0.00 0.00 173.24 170.20 1uf0 s SER 115 N -3.89 0.92 0.00 5.45 0.15 -1.26 -5.18 113.70 109.89 1uf0 s SER 115 Ca 0.71 -0.06 0.00 0.00 0.70 0.00 0.00 55.95 57.30 1uf0 s SER 115 Cb -0.10 -0.34 0.00 0.00 -1.71 0.00 0.00 66.02 63.88 1uf0 s SER 115 CO 0.56 -0.12 0.00 0.61 1.20 0.00 0.00 173.24 175.49