#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 -8.41 -4.54 1.61 2.88 -1.26 -4.59 113.62 99.31 1uf0 n SER 2 Ca 0.00 1.49 -0.43 0.00 -1.33 0.00 0.00 58.87 58.60 1uf0 n SER 2 Cb 0.00 -4.17 -0.06 0.00 -0.75 0.00 0.00 64.21 59.23 1uf0 n SER 2 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1uf0 s SER 3 N -7.00 6.40 0.00 -3.46 1.04 -1.26 -4.68 113.70 104.75 1uf0 s SER 3 Ca 0.00 -0.08 0.00 0.00 0.48 0.00 0.00 55.95 56.35 1uf0 s SER 3 Cb 0.00 -2.36 0.00 0.00 0.10 0.00 0.00 66.02 63.76 1uf0 s SER 3 CO 0.00 -0.81 0.00 0.61 0.98 0.00 0.00 173.24 174.02 1uf0 n GLY 4 N 4.90 -2.35 3.45 7.32 0.00 -1.26 -5.09 105.19 112.16 1uf0 n GLY 4 Ca 0.01 0.80 -0.44 0.00 0.00 0.00 0.00 46.02 46.39 1uf0 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1uf0 s SER 5 N 2.00 6.23 -0.12 1.61 0.01 -1.26 -5.05 113.70 117.13 1uf0 s SER 5 Ca 0.00 -0.85 -0.04 0.00 1.31 0.00 0.00 55.95 56.38 1uf0 s SER 5 Cb 0.00 -2.29 -0.03 0.00 0.21 0.00 0.00 66.02 63.91 1uf0 s SER 5 CO 0.00 -0.85 0.02 -0.94 0.41 0.00 0.00 173.24 171.87 1uf0 s SER 6 N 2.56 5.34 0.00 2.44 1.04 -1.26 -4.88 113.70 118.94 1uf0 s SER 6 Ca 0.15 0.12 0.00 0.00 0.48 0.00 0.00 55.95 56.70 1uf0 s SER 6 Cb -0.19 -1.66 0.00 0.00 0.10 0.00 0.00 66.02 64.27 1uf0 s SER 6 CO 0.13 0.31 0.00 0.61 0.98 0.00 0.00 173.24 175.27 1uf0 n GLY 7 N 2.59 -0.07 2.57 7.32 0.00 -1.26 -5.12 105.19 111.22 1uf0 n GLY 7 Ca -0.18 0.55 -0.27 0.00 0.00 0.00 0.00 46.02 46.11 1uf0 n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1uf0 s LYS 8 N 2.27 0.14 -0.40 1.61 -0.14 -1.26 -5.10 119.74 116.86 1uf0 s LYS 8 Ca 0.00 -0.34 -0.07 0.00 -1.36 0.00 0.00 55.97 54.20 1uf0 s LYS 8 Cb 0.00 -1.41 0.08 0.00 -1.68 0.00 0.00 37.83 34.82 1uf0 s LYS 8 CO 0.00 -0.88 0.22 -1.59 -0.76 0.00 0.00 175.35 172.34 1uf0 s LYS 9 N 2.12 2.46 0.82 1.68 -2.85 -1.26 -5.09 119.74 117.62 1uf0 s LYS 9 Ca 0.06 -1.51 -0.12 0.00 -1.00 0.00 0.00 55.97 53.40 1uf0 s LYS 9 Cb -0.16 -3.67 0.08 0.00 -2.06 0.00 0.00 37.83 32.02 1uf0 s LYS 9 CO -0.26 -0.94 1.12 0.00 0.10 0.00 0.00 175.35 175.38 1uf0 s ALA 10 N 1.35 2.31 -0.36 0.59 0.00 -1.26 -5.02 121.76 119.37 1uf0 s ALA 10 Ca 0.03 -0.41 -0.19 0.00 0.00 0.00 0.00 51.96 51.39 1uf0 s ALA 10 Cb -0.23 -3.04 0.00 0.00 0.00 0.00 0.00 23.12 19.85 1uf0 s ALA 10 CO 0.00 -1.77 0.58 0.15 0.00 0.00 0.00 175.76 174.73 1uf0 s LYS 11 N -5.31 3.60 0.09 0.00 3.01 0.22 -4.89 119.74 116.46 1uf0 s LYS 11 Ca 0.61 -0.10 -0.17 0.00 -1.01 0.00 0.00 55.97 55.31 1uf0 s LYS 11 Cb -0.13 -3.83 -0.07 0.00 -1.01 0.00 0.00 37.83 32.80 1uf0 s LYS 11 CO 0.52 -0.72 0.54 0.15 0.51 0.00 0.00 175.35 176.35 1uf0 s LYS 12 N 2.57 4.08 -0.14 1.68 1.02 -1.26 0.42 119.74 128.10 1uf0 s LYS 12 Ca 0.21 0.60 -0.09 0.00 0.02 0.00 0.00 55.97 56.71 1uf0 s LYS 12 Cb -0.15 -3.13 0.05 0.00 -0.52 0.00 0.00 37.83 34.08 1uf0 s LYS 12 CO 0.14 0.59 0.35 0.14 -0.92 0.00 0.00 175.35 175.65 1uf0 s VAL 13 N -1.23 -0.02 -0.07 3.17 -7.23 -1.20 -0.63 120.40 113.18 1uf0 s VAL 13 Ca 0.31 0.08 -0.12 0.00 -1.81 0.00 0.00 61.98 60.44 1uf0 s VAL 13 Cb -0.17 -0.51 -0.05 0.00 0.56 0.00 0.00 36.38 36.21 1uf0 s VAL 13 CO 0.18 0.03 0.31 -0.60 -0.31 0.00 0.00 175.10 174.72 1uf0 s ARG 14 N 0.99 3.86 -0.14 4.82 3.52 -0.66 -1.59 118.95 129.75 1uf0 s ARG 14 Ca -0.07 0.20 0.02 0.00 -0.13 0.00 0.00 55.73 55.75 1uf0 s ARG 14 Cb -0.07 -3.26 0.01 0.00 -1.56 0.00 0.00 34.95 30.07 1uf0 s ARG 14 CO -0.08 0.61 -0.20 -0.06 -0.81 0.00 0.00 175.30 174.77 1uf0 s PHE 15 N -0.70 2.70 0.45 5.12 0.08 -0.88 -0.85 117.98 123.90 1uf0 s PHE 15 Ca 0.20 -1.22 0.08 0.00 0.12 0.00 0.00 56.93 56.10 1uf0 s PHE 15 Cb -0.15 -1.83 0.01 0.00 -0.57 0.00 0.00 43.02 40.48 1uf0 s PHE 15 CO 0.09 -0.55 0.47 0.71 -0.10 0.00 0.00 175.22 175.83 1uf0 s TYR 16 N 0.78 2.43 -0.18 0.36 2.02 0.61 -2.38 117.35 121.00 1uf0 s TYR 16 Ca -0.07 -0.55 -0.08 0.00 -0.37 0.00 0.00 57.07 56.00 1uf0 s TYR 16 Cb -0.16 -2.18 -0.04 0.00 -0.40 0.00 0.00 41.96 39.18 1uf0 s TYR 16 CO -0.01 -0.35 0.07 0.50 -1.57 0.00 0.00 175.55 174.20 1uf0 s ARG 17 N -4.26 3.97 -0.12 -0.62 3.52 -1.26 -0.81 118.95 119.36 1uf0 s ARG 17 Ca 0.49 -0.32 -0.29 0.00 -0.13 0.00 0.00 55.73 55.49 1uf0 s ARG 17 Cb -0.05 -3.23 -0.06 0.00 -1.56 0.00 0.00 34.95 30.05 1uf0 s ARG 17 CO 0.29 0.31 2.09 1.21 -0.81 0.00 0.00 175.30 178.39 1uf0 s ASN 18 N 0.27 5.89 -0.15 -2.12 2.47 -1.15 -2.02 114.94 118.13 1uf0 s ASN 18 Ca 0.05 2.17 -0.01 0.00 0.42 0.00 0.00 52.86 55.48 1uf0 s ASN 18 Cb -0.12 -2.52 0.00 0.00 -1.45 0.00 0.00 41.25 37.16 1uf0 s ASN 18 CO -0.00 -1.57 0.13 0.61 -3.72 0.00 0.00 177.10 172.55 1uf0 n GLY 19 N 5.23 0.74 2.60 1.21 0.00 -1.26 -4.96 105.19 108.74 1uf0 n GLY 19 Ca 0.25 -0.55 -0.18 0.00 0.00 0.00 0.00 46.02 45.54 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 -3.05 0.56 0.33 1.61 2.15 -0.86 -4.98 116.67 112.43 1uf0 s ASP 20 Ca 0.06 -2.28 0.12 0.00 0.43 0.00 0.00 52.55 50.88 1uf0 s ASP 20 Cb -0.03 0.49 0.58 0.00 -0.30 0.00 0.00 42.92 43.67 1uf0 s ASP 20 CO 0.08 -0.16 1.74 0.08 -0.17 0.00 0.00 175.17 176.74 1uf0 h ARG 21 N 5.87 0.00 -0.26 4.34 0.11 -1.94 -2.87 114.38 119.63 1uf0 h ARG 21 Ca 0.15 0.00 0.04 0.00 0.10 0.00 0.00 59.98 60.27 1uf0 h ARG 21 Cb 1.01 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.07 1uf0 h ARG 21 CO 0.22 0.47 0.18 1.88 0.10 0.00 0.00 179.97 182.82 1uf0 h TYR 22 N 0.00 0.16 -4.06 4.08 -1.99 -1.97 -3.43 116.97 109.76 1uf0 h TYR 22 Ca -0.00 0.00 -0.55 0.00 2.00 0.00 0.00 58.73 60.18 1uf0 h TYR 22 Cb 0.84 -0.05 0.13 0.00 2.00 0.00 0.00 36.73 39.66 1uf0 h TYR 22 CO 0.00 0.09 0.58 0.12 -0.00 0.00 0.00 178.16 178.95 1uf0 s PHE 23 N -5.18 2.28 -0.20 4.88 5.36 -1.08 -4.96 117.98 119.07 1uf0 s PHE 23 Ca -0.06 1.41 0.03 0.00 -0.96 0.00 0.00 56.93 57.35 1uf0 s PHE 23 Cb 0.18 -3.74 -0.21 0.00 -0.34 0.00 0.00 43.02 38.91 1uf0 s PHE 23 CO 0.70 -2.79 0.01 1.63 -1.46 0.00 0.00 175.22 173.31 1uf0 n LYS 24 N -1.19 0.68 0.00 10.12 4.01 -1.26 -5.02 118.16 125.50 1uf0 n LYS 24 Ca 0.11 0.16 0.00 0.00 -0.51 0.00 0.00 58.31 58.08 1uf0 n LYS 24 Cb 0.46 -1.58 0.00 0.00 -0.51 0.00 0.00 35.03 33.40 1uf0 n LYS 24 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1uf0 n GLY 25 N 2.08 3.84 3.32 0.72 0.00 -1.26 -4.90 105.19 109.00 1uf0 n GLY 25 Ca -0.39 -1.51 -0.36 0.00 0.00 0.00 0.00 46.02 43.76 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 -1.63 3.53 -0.03 -0.61 2.07 -1.00 -4.92 121.20 118.61 1uf0 s ILE 26 Ca 0.00 -0.57 -0.30 0.00 -1.41 0.00 0.00 60.65 58.37 1uf0 s ILE 26 Cb 0.00 -2.68 -0.03 0.00 0.13 0.00 0.00 42.46 39.88 1uf0 s ILE 26 CO 0.00 0.31 1.02 -0.69 -1.91 0.00 0.00 174.94 173.67 1uf0 s VAL 27 N 1.48 4.75 0.39 4.00 1.01 -1.26 -2.07 120.40 128.70 1uf0 s VAL 27 Ca 0.04 1.99 0.08 0.00 0.00 0.00 0.00 61.98 64.09 1uf0 s VAL 27 Cb -0.15 -4.27 -0.05 0.00 0.00 0.00 0.00 36.38 31.90 1uf0 s VAL 27 CO -0.01 0.09 0.14 -0.31 0.00 0.00 0.00 175.10 175.01 1uf0 s TYR 28 N 1.42 2.61 -0.42 5.22 1.51 -0.62 -4.98 117.35 122.09 1uf0 s TYR 28 Ca 0.51 -0.54 0.02 0.00 -1.01 0.00 0.00 57.07 56.05 1uf0 s TYR 28 Cb -0.21 -1.84 0.13 0.00 -0.11 0.00 0.00 41.96 39.93 1uf0 s TYR 28 CO 0.24 0.26 0.21 0.00 -1.11 0.00 0.00 175.55 175.15 1uf0 s ALA 29 N -2.57 2.08 0.04 3.71 0.00 -1.26 -3.27 121.76 120.48 1uf0 s ALA 29 Ca 0.39 -2.46 -0.27 0.00 0.00 0.00 0.00 51.96 49.62 1uf0 s ALA 29 Cb 0.03 -1.85 -0.05 0.00 0.00 0.00 0.00 23.12 21.25 1uf0 s ALA 29 CO 0.22 -2.00 0.86 0.42 0.00 0.00 0.00 175.76 175.26 1uf0 s ILE 30 N 0.56 4.74 -0.07 0.00 -1.09 0.17 -4.66 121.20 120.84 1uf0 s ILE 30 Ca 0.16 1.82 -0.30 0.00 -2.23 0.00 0.00 60.65 60.11 1uf0 s ILE 30 Cb -0.23 -4.21 0.10 0.00 -1.58 0.00 0.00 42.46 36.54 1uf0 s ILE 30 CO -0.03 0.29 0.83 -0.55 -1.23 0.00 0.00 174.94 174.25 1uf0 s SER 31 N 0.30 -0.50 0.57 3.58 0.15 -1.26 0.70 113.70 117.24 1uf0 s SER 31 Ca 0.44 0.44 0.29 0.00 0.70 0.00 0.00 55.95 57.82 1uf0 s SER 31 Cb -0.21 0.43 1.46 0.00 -1.71 0.00 0.00 66.02 65.99 1uf0 s SER 31 CO 0.25 -0.53 1.90 -0.65 1.20 0.00 0.00 173.24 175.41 1uf0 h PRO 32 N 2.61 0.00 0.08 5.44 0.11 -1.97 -1.19 132.00 137.08 1uf0 h PRO 32 Ca -0.23 0.00 -0.36 0.00 0.11 0.00 0.00 66.00 65.52 1uf0 h PRO 32 Cb 1.18 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.25 1uf0 h PRO 32 CO 0.35 0.00 -2.02 -0.25 -0.21 0.00 0.00 178.00 175.87 1uf0 n ASP 33 N -3.94 2.05 0.00 -2.05 8.00 -1.26 -4.57 116.55 114.78 1uf0 n ASP 33 Ca 0.12 0.18 0.00 0.00 0.71 0.00 0.00 54.79 55.80 1uf0 n ASP 33 Cb 0.76 -0.79 0.00 0.00 -0.02 0.00 0.00 41.12 41.07 1uf0 n ASP 33 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1uf0 n ARG 34 N -3.62 0.00 -4.39 -1.24 3.00 -0.63 -4.72 116.66 105.07 1uf0 n ARG 34 Ca -0.36 0.28 -0.34 0.00 -0.01 0.00 0.00 57.85 57.42 1uf0 n ARG 34 Cb 0.98 -1.27 -0.13 0.00 0.00 0.00 0.00 32.46 32.03 1uf0 n ARG 34 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.63 177.57 1uf0 s PHE 35 N -2.10 2.97 -0.20 -1.55 0.08 -0.55 -4.95 117.98 111.69 1uf0 s PHE 35 Ca 0.00 -0.48 0.15 0.00 0.12 0.00 0.00 56.93 56.72 1uf0 s PHE 35 Cb 0.00 -1.96 -0.23 0.00 -0.57 0.00 0.00 43.02 40.26 1uf0 s PHE 35 CO 0.00 -0.17 0.03 -2.13 -0.10 0.00 0.00 175.22 172.86 1uf0 n ARG 36 N 3.78 0.82 -4.20 0.44 0.00 -1.26 -4.40 116.66 111.84 1uf0 n ARG 36 Ca -0.18 0.01 -0.12 0.00 -0.00 0.00 0.00 57.85 57.57 1uf0 n ARG 36 Cb 0.52 -1.49 -0.10 0.00 0.00 0.00 0.00 32.46 31.39 1uf0 n ARG 36 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.63 176.51 1uf0 s SER 37 N -5.50 0.46 0.38 6.15 0.01 -1.26 -5.03 113.70 108.92 1uf0 s SER 37 Ca -0.12 -1.29 0.17 0.00 1.31 0.00 0.00 55.95 56.02 1uf0 s SER 37 Cb 0.06 0.29 0.75 0.00 0.21 0.00 0.00 66.02 67.33 1uf0 s SER 37 CO 0.76 -0.75 1.79 0.15 0.41 0.00 0.00 173.24 175.61 1uf0 h PHE 38 N 2.71 0.00 -0.47 2.43 3.57 -1.96 -3.10 116.94 120.13 1uf0 h PHE 38 Ca -0.36 0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.18 1uf0 h PHE 38 Cb 1.22 0.00 -0.04 0.00 2.79 0.00 0.00 35.95 39.92 1uf0 h PHE 38 CO 0.42 0.37 0.23 0.93 -2.23 0.00 0.00 178.31 178.03 1uf0 h GLU 39 N 0.00 0.44 -0.25 1.11 4.39 -1.97 0.65 114.58 118.96 1uf0 h GLU 39 Ca -0.00 -0.03 -0.08 0.00 0.34 0.00 0.00 59.36 59.59 1uf0 h GLU 39 Cb 0.77 -0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 29.31 1uf0 h GLU 39 CO 0.05 0.29 -0.19 0.00 -1.16 0.00 0.00 179.01 178.01 1uf0 h ALA 40 N 1.26 1.23 0.00 3.43 0.00 -1.97 -1.71 119.26 121.50 1uf0 h ALA 40 Ca 0.21 -0.30 -0.24 0.00 0.00 0.00 0.00 54.91 54.58 1uf0 h ALA 40 Cb 0.12 -0.12 0.02 0.00 0.00 0.00 0.00 17.79 17.81 1uf0 h ALA 40 CO -0.15 0.50 -0.95 1.25 0.00 0.00 0.00 179.25 179.90 1uf0 h LEU 41 N 0.40 0.83 -0.80 0.00 5.85 -1.33 -3.09 115.31 117.16 1uf0 h LEU 41 Ca 0.07 -0.75 -0.05 0.00 0.84 0.00 0.00 57.88 57.99 1uf0 h LEU 41 Cb 0.55 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 41.30 1uf0 h LEU 41 CO 0.04 1.47 0.30 -0.07 -0.34 0.00 0.00 178.44 179.83 1uf0 h LEU 42 N 0.28 1.10 0.24 2.25 3.38 0.41 -1.75 115.31 121.22 1uf0 h LEU 42 Ca -0.12 -0.18 -0.01 0.00 0.09 0.00 0.00 57.88 57.66 1uf0 h LEU 42 Cb 1.62 -0.29 0.00 0.00 0.09 0.00 0.00 40.66 42.09 1uf0 h LEU 42 CO 0.19 0.98 -0.12 0.00 0.09 0.00 0.00 178.44 179.58 1uf0 h ALA 43 N 1.17 -0.33 -0.76 1.53 0.00 -1.37 0.48 119.26 119.98 1uf0 h ALA 43 Ca 0.26 -0.07 0.01 0.00 0.00 0.00 0.00 54.91 55.10 1uf0 h ALA 43 Cb 0.24 0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.12 1uf0 h ALA 43 CO -0.02 -0.68 0.50 0.22 0.00 0.00 0.00 179.25 179.26 1uf0 h ASP 44 N -0.33 0.88 -0.15 0.00 3.58 -1.45 -1.95 116.42 117.01 1uf0 h ASP 44 Ca -0.03 -0.03 -0.11 0.00 0.42 0.00 0.00 57.03 57.28 1uf0 h ASP 44 Cb 0.25 -0.22 -0.01 0.00 1.72 0.00 0.00 39.33 41.07 1uf0 h ASP 44 CO 0.05 0.64 -0.28 -0.07 -2.88 0.00 0.00 179.24 176.70 1uf0 h LEU 45 N 1.03 0.63 -1.33 2.28 3.38 -0.98 -2.33 115.31 118.00 1uf0 h LEU 45 Ca 0.28 -0.24 -0.07 0.00 0.09 0.00 0.00 57.88 57.94 1uf0 h LEU 45 Cb -0.11 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.46 1uf0 h LEU 45 CO -0.06 0.89 -0.30 0.74 0.09 0.00 0.00 178.44 179.79 1uf0 h THR 46 N 0.54 1.23 0.01 0.22 2.02 -0.16 0.23 112.91 117.00 1uf0 h THR 46 Ca 0.07 -1.10 -0.20 0.00 0.77 0.00 0.00 66.41 65.95 1uf0 h THR 46 Cb 0.76 1.55 -0.02 0.00 -1.74 0.00 0.00 68.15 68.70 1uf0 h THR 46 CO 0.06 0.32 -0.96 -0.09 0.37 0.00 0.00 175.52 175.22 1uf0 h ARG 47 N 0.04 0.04 0.00 6.66 2.43 -1.15 -3.36 114.38 119.05 1uf0 h ARG 47 Ca 0.00 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.11 1uf0 h ARG 47 Cb 0.56 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.14 1uf0 h ARG 47 CO 0.04 0.96 0.00 0.25 -1.51 0.00 0.00 179.97 179.71 1uf0 n THR 48 N -3.46 0.00 -2.49 0.20 -2.24 -0.90 -4.68 114.28 100.70 1uf0 n THR 48 Ca -0.01 0.24 -0.43 0.00 -2.27 0.00 0.00 64.05 61.58 1uf0 n THR 48 Cb 0.89 -1.01 -0.00 0.00 -2.10 0.00 0.00 70.33 68.11 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 -1.64 5.13 -3.27 3.22 4.77 0.78 -4.79 117.00 121.20 1uf0 n LEU 49 Ca 0.00 -3.94 0.03 0.00 -0.03 0.00 0.00 56.01 52.07 1uf0 n LEU 49 Cb 0.00 -1.74 -0.04 0.00 -2.33 0.00 0.00 43.42 39.31 1uf0 n LEU 49 CO 0.00 0.24 0.90 -0.55 -1.33 0.00 0.00 177.39 176.64 1uf0 s SER 50 N 4.14 -0.12 0.00 -1.43 0.15 -1.26 -4.57 113.70 110.60 1uf0 s SER 50 Ca 0.53 0.17 0.00 0.00 0.70 0.00 0.00 55.95 57.36 1uf0 s SER 50 Cb 0.05 1.13 0.00 0.00 -1.71 0.00 0.00 66.02 65.49 1uf0 s SER 50 CO 0.06 -0.02 0.00 0.47 1.20 0.00 0.00 173.24 174.95 1uf0 n ASP 51 N 4.40 0.00 0.00 5.45 8.00 -1.24 -4.91 116.55 128.25 1uf0 n ASP 51 Ca -0.08 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.42 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 -1.75 0.00 0.02 -2.24 2.85 -1.26 -4.73 115.26 108.15 1uf0 n ASN 52 Ca 0.00 0.00 -0.10 0.00 -0.11 0.00 0.00 54.58 54.37 1uf0 n ASN 52 Cb 0.00 0.02 -0.07 0.00 1.24 0.00 0.00 39.78 40.97 1uf0 n ASN 52 CO 0.00 0.00 0.00 0.58 -2.11 0.00 0.00 177.26 175.73 1uf0 h VAL 53 N 0.00 0.86 0.24 3.44 2.07 -1.98 -3.18 116.25 117.70 1uf0 h VAL 53 Ca 0.00 -1.31 -0.01 0.00 0.82 0.00 0.00 66.70 66.19 1uf0 h VAL 53 Cb 0.00 1.52 0.00 0.00 -1.52 0.00 0.00 31.29 31.29 1uf0 h VAL 53 CO 0.00 0.25 -0.12 0.78 0.02 0.00 0.00 177.57 178.50 1uf0 h ASN 54 N -0.91 -0.27 -2.90 0.57 2.35 -1.94 -3.43 115.58 109.05 1uf0 h ASN 54 Ca -0.02 0.01 -0.59 0.00 -0.55 0.00 0.00 56.30 55.15 1uf0 h ASN 54 Cb 0.52 0.07 -0.39 0.00 0.05 0.00 0.00 38.32 38.57 1uf0 h ASN 54 CO 0.03 -0.13 -0.81 -0.76 -1.65 0.00 0.00 177.43 174.10 1uf0 s LEU 55 N -6.01 1.65 0.04 1.61 1.02 -1.26 -4.94 118.68 110.79 1uf0 s LEU 55 Ca -0.05 -2.41 -0.20 0.00 0.02 0.00 0.00 54.13 51.50 1uf0 s LEU 55 Cb 0.00 -0.64 -0.14 0.00 0.02 0.00 0.00 46.19 45.44 1uf0 s LEU 55 CO 0.14 -0.28 1.36 1.55 0.02 0.00 0.00 176.35 179.13 1uf0 h PRO 56 N 6.82 0.36 -0.15 1.29 0.13 -1.82 -3.16 132.00 135.47 1uf0 h PRO 56 Ca 0.05 -0.18 -0.07 0.00 -0.87 0.00 0.00 66.00 64.92 1uf0 h PRO 56 Cb 0.95 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.07 1uf0 h PRO 56 CO 0.35 0.73 -0.22 1.96 -0.23 0.00 0.00 178.00 180.60 1uf0 h GLN 57 N 0.00 0.26 0.00 0.86 7.50 -1.94 -3.46 115.11 118.33 1uf0 h GLN 57 Ca 0.03 -0.08 0.00 0.00 0.50 0.00 0.00 58.65 59.10 1uf0 h GLN 57 Cb 0.66 -0.03 0.00 0.00 0.05 0.00 0.00 27.48 28.16 1uf0 h GLN 57 CO 0.03 0.47 0.00 0.41 -1.50 0.00 0.00 178.83 178.24 1uf0 n GLY 58 N -0.64 0.80 3.72 3.46 0.00 -1.19 -5.04 105.19 106.30 1uf0 n GLY 58 Ca -0.01 -2.30 -0.40 0.00 0.00 0.00 0.00 46.02 43.31 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 -0.88 4.94 0.00 1.61 0.11 -1.26 -4.62 120.40 120.30 1uf0 s VAL 59 Ca 0.00 1.56 0.00 0.00 -2.93 0.00 0.00 61.98 60.61 1uf0 s VAL 59 Cb 0.00 -4.09 0.00 0.00 -1.53 0.00 0.00 36.38 30.76 1uf0 s VAL 59 CO 0.00 0.28 0.00 0.54 -3.33 0.00 0.00 175.10 172.59 1uf0 n ARG 60 N 3.50 0.00 -4.72 1.54 1.74 -1.15 -4.86 116.66 112.71 1uf0 n ARG 60 Ca -0.01 0.00 -0.31 0.00 -0.77 0.00 0.00 57.85 56.76 1uf0 n ARG 60 Cb 0.51 -0.32 -0.17 0.00 -1.02 0.00 0.00 32.46 31.46 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 -1.78 1.85 -0.17 0.55 2.01 -1.25 -5.00 115.64 111.85 1uf0 s THR 61 Ca 0.00 -0.86 -0.01 0.00 0.31 0.00 0.00 61.69 61.12 1uf0 s THR 61 Cb 0.00 -1.64 -0.01 0.00 0.01 0.00 0.00 72.50 70.86 1uf0 s THR 61 CO 0.00 0.51 -0.10 -0.63 -0.69 0.00 0.00 174.62 173.71 1uf0 s ILE 62 N 0.76 3.09 0.47 1.82 1.01 -1.26 -0.56 121.20 126.53 1uf0 s ILE 62 Ca -0.10 -0.62 0.06 0.00 0.00 0.00 0.00 60.65 60.00 1uf0 s ILE 62 Cb -0.16 -2.34 0.03 0.00 0.01 0.00 0.00 42.46 40.00 1uf0 s ILE 62 CO 0.01 0.49 0.65 -0.31 0.00 0.00 0.00 174.94 175.78 1uf0 s TYR 63 N 0.86 2.63 0.85 3.97 2.02 -0.60 -0.46 117.35 126.62 1uf0 s TYR 63 Ca -0.03 -0.35 -0.14 0.00 -0.37 0.00 0.00 57.07 56.18 1uf0 s TYR 63 Cb -0.15 -2.46 0.21 0.00 -0.40 0.00 0.00 41.96 39.16 1uf0 s TYR 63 CO 0.00 -0.64 0.82 0.25 -1.57 0.00 0.00 175.55 174.42 1uf0 n THR 64 N -2.03 0.00 0.18 -0.71 -2.24 -0.87 -0.18 114.28 108.44 1uf0 n THR 64 Ca 0.09 -0.42 0.04 0.00 -2.27 0.00 0.00 64.05 61.49 1uf0 n THR 64 Cb 0.59 -1.27 0.33 0.00 -2.10 0.00 0.00 70.33 67.89 1uf0 n THR 64 CO 0.00 0.00 0.00 -0.29 -0.57 0.00 0.00 175.07 174.21 1uf0 h ILE 65 N -2.22 1.11 0.00 2.28 6.09 -1.71 -3.22 117.51 119.83 1uf0 h ILE 65 Ca -0.30 -1.52 -0.36 0.00 -1.37 0.00 0.00 64.86 61.31 1uf0 h ILE 65 Cb 0.89 1.86 -0.07 0.00 0.47 0.00 0.00 36.82 39.98 1uf0 h ILE 65 CO 0.20 0.41 -2.36 0.47 -3.07 0.00 0.00 178.15 173.79 1uf0 n ASP 66 N -3.77 0.33 0.00 2.19 9.92 -1.26 -4.89 116.55 119.07 1uf0 n ASP 66 Ca -0.01 -0.01 0.00 0.00 -0.53 0.00 0.00 54.79 54.23 1uf0 n ASP 66 Cb 0.48 0.84 0.00 0.00 -0.64 0.00 0.00 41.12 41.80 1uf0 n ASP 66 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1uf0 n GLY 67 N 1.84 1.86 0.05 0.44 0.00 -1.22 -4.87 105.19 103.28 1uf0 n GLY 67 Ca -0.34 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.67 1uf0 n GLY 67 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1uf0 h LEU 68 N 0.00 0.00 -9.39 0.99 3.38 -1.95 -3.47 115.31 104.87 1uf0 h LEU 68 Ca 0.00 0.00 -0.60 0.00 0.09 0.00 0.00 57.88 57.37 1uf0 h LEU 68 Cb 0.00 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 40.63 1uf0 h LEU 68 CO 0.00 0.51 -0.70 -0.54 0.09 0.00 0.00 178.44 177.80 1uf0 s LYS 69 N -1.69 2.08 -0.17 1.13 1.02 -1.26 -5.00 119.74 115.84 1uf0 s LYS 69 Ca -0.04 -1.42 -0.05 0.00 0.02 0.00 0.00 55.97 54.48 1uf0 s LYS 69 Cb 0.01 -2.09 -0.03 0.00 -0.52 0.00 0.00 37.83 35.20 1uf0 s LYS 69 CO 0.07 0.39 -0.01 -1.59 -0.92 0.00 0.00 175.35 173.29 1uf0 s LYS 70 N -3.28 3.73 0.22 1.68 -2.85 -1.26 -2.05 119.74 115.94 1uf0 s LYS 70 Ca 0.28 -0.48 -0.30 0.00 -1.00 0.00 0.00 55.97 54.48 1uf0 s LYS 70 Cb -0.07 -3.01 -0.09 0.00 -2.06 0.00 0.00 37.83 32.60 1uf0 s LYS 70 CO 0.17 0.21 1.15 0.42 0.10 0.00 0.00 175.35 177.40 1uf0 s ILE 71 N 0.47 3.56 0.00 3.79 -1.09 0.39 -4.92 121.20 123.40 1uf0 s ILE 71 Ca -0.02 1.41 0.00 0.00 -2.23 0.00 0.00 60.65 59.81 1uf0 s ILE 71 Cb -0.14 -3.90 0.00 0.00 -1.58 0.00 0.00 42.46 36.84 1uf0 s ILE 71 CO 0.02 0.27 0.00 -0.24 -1.23 0.00 0.00 174.94 173.76 1uf0 n SER 72 N 1.96 1.34 -4.84 3.58 2.88 -1.26 -4.25 113.62 113.02 1uf0 n SER 72 Ca 0.02 0.00 -0.22 0.00 -1.33 0.00 0.00 58.87 57.34 1uf0 n SER 72 Cb 0.45 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.87 1uf0 n SER 72 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1uf0 s SER 73 N -4.33 4.90 0.09 -3.46 0.01 -1.26 -4.86 113.70 104.78 1uf0 s SER 73 Ca 0.00 -0.83 0.06 0.00 1.31 0.00 0.00 55.95 56.49 1uf0 s SER 73 Cb 0.00 -0.53 -0.22 0.00 0.21 0.00 0.00 66.02 65.48 1uf0 s SER 73 CO 0.00 -0.64 1.17 -0.07 0.41 0.00 0.00 173.24 174.11 1uf0 h LEU 74 N 1.11 0.06 -1.59 2.44 3.38 -1.95 -3.29 115.31 115.48 1uf0 h LEU 74 Ca -0.42 -0.07 0.02 0.00 0.09 0.00 0.00 57.88 57.50 1uf0 h LEU 74 Cb 1.26 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.97 1uf0 h LEU 74 CO 0.60 1.06 0.30 -0.78 0.09 0.00 0.00 178.44 179.71 1uf0 h ASP 75 N 0.01 0.48 0.17 -0.43 3.58 -2.00 -1.06 116.42 117.17 1uf0 h ASP 75 Ca -0.07 -0.01 -0.04 0.00 0.42 0.00 0.00 57.03 57.34 1uf0 h ASP 75 Cb 1.83 -0.12 -0.01 0.00 1.72 0.00 0.00 39.33 42.76 1uf0 h ASP 75 CO 0.13 0.34 -0.17 1.56 -2.88 0.00 0.00 179.24 178.22 1uf0 h GLN 76 N 0.56 0.00 -7.18 0.28 4.20 -1.99 -3.44 115.11 107.55 1uf0 h GLN 76 Ca 0.17 -0.00 -0.53 0.00 0.06 0.00 0.00 58.65 58.36 1uf0 h GLN 76 Cb 0.01 -0.00 0.20 0.00 0.30 0.00 0.00 27.48 27.99 1uf0 h GLN 76 CO -0.04 0.18 0.14 1.28 -0.67 0.00 0.00 178.83 179.72 1uf0 n LEU 77 N -4.33 3.15 -4.14 1.46 4.77 -0.40 -5.05 117.00 112.46 1uf0 n LEU 77 Ca -0.02 0.46 -0.10 0.00 -0.03 0.00 0.00 56.01 56.31 1uf0 n LEU 77 Cb 0.24 -1.45 -0.10 0.00 -2.33 0.00 0.00 43.42 39.78 1uf0 n LEU 77 CO 0.36 -2.23 -0.38 -0.69 -1.33 0.00 0.00 177.39 173.12 1uf0 s VAL 78 N -2.46 0.58 -0.38 4.08 1.01 -1.26 -5.07 120.40 116.89 1uf0 s VAL 78 Ca 0.67 -1.81 -0.29 0.00 0.00 0.00 0.00 61.98 60.55 1uf0 s VAL 78 Cb -0.25 -1.52 0.01 0.00 0.00 0.00 0.00 36.38 34.62 1uf0 s VAL 78 CO 0.57 -0.84 1.27 -0.70 0.00 0.00 0.00 175.10 175.40 1uf0 s GLU 79 N -3.59 3.77 0.00 2.72 2.12 -1.26 -3.13 118.70 119.34 1uf0 s GLU 79 Ca 0.08 0.96 0.00 0.00 0.36 0.00 0.00 54.97 56.37 1uf0 s GLU 79 Cb 0.04 -3.92 0.00 0.00 0.26 0.00 0.00 34.13 30.51 1uf0 s GLU 79 CO -0.05 -1.31 0.00 0.41 -0.54 0.00 0.00 175.26 173.77 1uf0 n GLY 80 N 4.65 1.27 3.96 -1.50 0.00 0.19 -4.89 105.19 108.88 1uf0 n GLY 80 Ca 0.14 -0.38 -0.19 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.13 2.82 -0.05 1.61 0.41 -1.18 -4.99 118.70 115.18 1uf0 s GLU 81 Ca 0.00 -1.26 0.01 0.00 -0.41 0.00 0.00 54.97 53.31 1uf0 s GLU 81 Cb 0.00 -2.67 0.02 0.00 -1.78 0.00 0.00 34.13 29.70 1uf0 s GLU 81 CO 0.00 -0.16 -0.07 -1.12 -0.49 0.00 0.00 175.26 173.42 1uf0 s SER 82 N -4.24 1.18 0.08 -0.19 0.01 -1.26 -1.65 113.70 107.63 1uf0 s SER 82 Ca 0.50 -0.18 0.03 0.00 1.31 0.00 0.00 55.95 57.62 1uf0 s SER 82 Cb -0.08 -0.56 -0.03 0.00 0.21 0.00 0.00 66.02 65.55 1uf0 s SER 82 CO 0.31 -0.02 -0.10 -0.31 0.41 0.00 0.00 173.24 173.53 1uf0 s TYR 83 N 0.81 1.00 -0.36 2.43 1.51 -0.03 -1.89 117.35 120.81 1uf0 s TYR 83 Ca -0.13 -0.61 -0.07 0.00 -1.01 0.00 0.00 57.07 55.25 1uf0 s TYR 83 Cb -0.15 -0.56 0.05 0.00 -0.11 0.00 0.00 41.96 41.20 1uf0 s TYR 83 CO 0.01 -0.02 0.16 0.08 -1.11 0.00 0.00 175.55 174.67 1uf0 s VAL 84 N -2.12 3.93 0.16 0.71 1.01 0.75 -0.28 120.40 124.56 1uf0 s VAL 84 Ca 0.02 -1.23 -0.31 0.00 0.00 0.00 0.00 61.98 60.46 1uf0 s VAL 84 Cb -0.05 -3.29 -0.10 0.00 0.00 0.00 0.00 36.38 32.94 1uf0 s VAL 84 CO 0.00 -0.29 1.51 0.00 0.00 0.00 0.00 175.10 176.32 1uf0 n GLY 86 N 3.57 5.63 0.48 0.00 0.00 0.27 -2.93 105.19 112.21 1uf0 n GLY 86 Ca 0.13 -1.55 0.00 0.00 0.00 0.00 0.00 46.02 44.60 1uf0 n GLY 86 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1uf0 n SER 87 N 0.00 0.00 0.00 1.61 2.88 -1.24 -2.95 113.62 113.93 1uf0 n SER 87 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1uf0 n SER 87 Cb 0.00 0.12 0.00 0.00 -0.75 0.00 0.00 64.21 63.58 1uf0 n SER 87 CO 0.00 0.00 0.00 2.30 -1.23 0.00 0.00 175.04 176.11 1uf0 n ILE 88 N -1.33 0.00 -1.22 2.46 -6.64 -1.26 -4.52 119.36 106.85 1uf0 n ILE 88 Ca 0.00 0.00 -0.35 0.00 -1.77 0.00 0.00 62.75 60.63 1uf0 n ILE 88 Cb 0.00 -0.39 0.10 0.00 -1.44 0.00 0.00 39.64 37.91 1uf0 n ILE 88 CO 0.00 0.00 0.00 -1.84 -1.77 0.00 0.00 176.55 172.94 1uf0 n GLU 89 N -2.24 0.31 -1.16 6.28 0.00 -1.26 -4.97 120.64 117.61 1uf0 n GLU 89 Ca 0.00 0.17 -0.30 0.00 0.00 0.00 0.00 57.16 57.02 1uf0 n GLU 89 Cb 0.36 -2.21 0.12 0.00 0.00 0.00 0.00 31.44 29.71 1uf0 n GLU 89 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.13 175.88 1uf0 s PRO 90 N -3.53 1.66 -0.14 3.44 0.04 -1.26 -4.97 135.00 130.24 1uf0 s PRO 90 Ca 0.71 1.07 -0.29 0.00 0.04 0.00 0.00 61.00 62.52 1uf0 s PRO 90 Cb -0.32 -1.84 -0.02 0.00 0.04 0.00 0.00 34.50 32.37 1uf0 s PRO 90 CO 0.53 -2.03 1.19 0.12 0.04 0.00 0.00 177.00 176.85 1uf0 s PHE 91 N -2.88 3.08 -0.25 0.56 2.19 -1.26 -4.95 117.98 114.47 1uf0 s PHE 91 Ca 0.63 1.19 -0.09 0.00 0.33 0.00 0.00 56.93 58.98 1uf0 s PHE 91 Cb -0.18 -3.42 -0.04 0.00 -1.31 0.00 0.00 43.02 38.07 1uf0 s PHE 91 CO 0.57 -1.28 0.13 0.15 1.83 0.00 0.00 175.22 176.61 1uf0 s LYS 92 N 2.96 3.87 -0.60 10.12 1.02 -1.26 -5.05 119.74 130.80 1uf0 s LYS 92 Ca 0.53 -0.37 -0.28 0.00 0.02 0.00 0.00 55.97 55.87 1uf0 s LYS 92 Cb -0.21 -3.48 0.03 0.00 -0.52 0.00 0.00 37.83 33.65 1uf0 s LYS 92 CO 0.16 -0.10 1.20 0.15 -0.92 0.00 0.00 175.35 175.84 1uf0 s LYS 93 N 1.46 3.48 0.01 1.68 1.02 -1.26 -4.69 119.74 121.45 1uf0 s LYS 93 Ca 0.06 0.20 0.03 0.00 0.02 0.00 0.00 55.97 56.28 1uf0 s LYS 93 Cb -0.15 -4.03 -0.01 0.00 -0.52 0.00 0.00 37.83 33.12 1uf0 s LYS 93 CO 0.06 -1.73 -0.09 -0.51 -0.92 0.00 0.00 175.35 172.17 1uf0 s LEU 94 N 5.02 2.09 -0.81 3.17 1.43 -1.26 -5.09 118.68 123.24 1uf0 s LEU 94 Ca 0.42 -0.27 -0.25 0.00 -1.03 0.00 0.00 54.13 52.99 1uf0 s LEU 94 Cb -0.07 -0.38 0.00 0.00 0.03 0.00 0.00 46.19 45.77 1uf0 s LEU 94 CO 0.24 0.02 1.63 -0.70 0.23 0.00 0.00 176.35 177.77 1uf0 s GLU 95 N -0.62 2.99 -0.12 1.70 2.56 -1.26 -4.78 118.70 119.16 1uf0 s GLU 95 Ca 0.00 -0.23 -0.14 0.00 0.00 0.00 0.00 54.97 54.60 1uf0 s GLU 95 Cb -0.05 -4.71 -0.26 0.00 2.00 0.00 0.00 34.13 31.11 1uf0 s GLU 95 CO 0.00 -2.60 0.47 1.88 -0.56 0.00 0.00 175.26 174.45 1uf0 h TYR 96 N 11.58 0.40 -0.01 5.30 0.05 -1.95 -3.34 116.97 129.01 1uf0 h TYR 96 Ca -0.08 -0.29 0.00 0.00 0.05 0.00 0.00 58.73 58.41 1uf0 h TYR 96 Cb 1.06 -0.02 -0.00 0.00 1.01 0.00 0.00 36.73 38.78 1uf0 h TYR 96 CO 1.16 1.61 0.02 1.79 -1.05 0.00 0.00 178.16 181.68 1uf0 h THR 97 N -0.29 0.19 -0.94 -2.88 1.35 -1.87 -2.30 112.91 106.17 1uf0 h THR 97 Ca -0.34 0.00 0.13 0.00 -0.55 0.00 0.00 66.41 65.65 1uf0 h THR 97 Cb 1.78 0.98 -0.09 0.00 -1.73 0.00 0.00 68.15 69.09 1uf0 h THR 97 CO 0.03 0.00 0.56 0.50 -0.25 0.00 0.00 175.52 176.36 1uf0 h LYS 98 N 0.00 0.83 -0.70 4.72 3.11 -1.96 -0.59 116.57 121.97 1uf0 h LYS 98 Ca 0.00 -0.05 -0.37 0.00 -2.81 0.00 0.00 60.65 57.42 1uf0 h LYS 98 Cb 0.04 -0.19 -0.22 0.00 -1.00 0.00 0.00 32.23 30.86 1uf0 h LYS 98 CO -0.00 0.55 0.29 0.27 -2.81 0.00 0.00 179.45 177.75 1uf0 n ASN 99 N -4.71 3.33 -3.62 4.20 0.23 -0.87 -4.88 115.26 108.95 1uf0 n ASN 99 Ca 0.18 -3.71 -0.23 0.00 -0.53 0.00 0.00 54.58 50.29 1uf0 n ASN 99 Cb 0.39 -0.74 -0.17 0.00 -2.08 0.00 0.00 39.78 37.18 1uf0 n ASN 99 CO 0.00 0.00 0.00 -0.69 -0.93 0.00 0.00 177.26 175.64 1uf0 s VAL 100 N -3.37 -0.13 -0.31 3.53 1.01 -0.23 -4.95 120.40 115.96 1uf0 s VAL 100 Ca 0.52 0.03 -0.29 0.00 0.00 0.00 0.00 61.98 62.24 1uf0 s VAL 100 Cb 0.45 -0.45 -0.02 0.00 0.00 0.00 0.00 36.38 36.36 1uf0 s VAL 100 CO 0.05 -0.12 1.71 0.21 0.00 0.00 0.00 175.10 176.94 1uf0 s ASN 101 N 2.17 6.08 -0.84 3.32 2.47 -1.26 -4.80 114.94 122.08 1uf0 s ASN 101 Ca 0.03 1.34 -0.26 0.00 0.42 0.00 0.00 52.86 54.39 1uf0 s ASN 101 Cb -0.15 -2.53 -0.22 0.00 -1.45 0.00 0.00 41.25 36.90 1uf0 s ASN 101 CO -0.07 -1.55 1.94 -2.65 -3.72 0.00 0.00 177.10 171.04 1uf0 n PRO 102 N 8.18 0.61 -2.74 0.43 -0.02 -1.26 -4.47 135.00 135.74 1uf0 n PRO 102 Ca 0.21 -1.76 -0.09 0.00 -2.02 0.00 0.00 63.50 59.84 1uf0 n PRO 102 Cb 0.46 -3.46 0.07 0.00 -0.02 0.00 0.00 33.50 30.55 1uf0 n PRO 102 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 1uf0 n ASN 103 N 14.81 -2.56 0.00 2.55 2.85 -1.26 -4.98 115.26 126.67 1uf0 n ASN 103 Ca 0.44 -3.54 0.00 0.00 -0.11 0.00 0.00 54.58 51.38 1uf0 n ASN 103 Cb 0.45 1.89 0.00 0.00 1.24 0.00 0.00 39.78 43.36 1uf0 n ASN 103 CO 0.00 0.00 0.00 -2.67 -2.11 0.00 0.00 177.26 172.48 1uf0 n TRP 104 N 0.87 0.00 -1.03 1.20 4.27 -1.26 -4.80 117.44 116.69 1uf0 n TRP 104 Ca 0.07 0.00 -0.22 0.00 -3.89 0.00 0.00 57.50 53.46 1uf0 n TRP 104 Cb 0.67 0.11 0.16 0.00 -1.36 0.00 0.00 31.31 30.89 1uf0 n TRP 104 CO 0.00 0.00 0.00 0.43 -2.29 0.00 0.00 177.69 175.83 1uf0 n SER 105 N -2.36 3.81 -0.09 -0.67 7.64 -1.26 -3.82 113.62 116.87 1uf0 n SER 105 Ca 0.00 -3.47 -0.11 0.00 1.01 0.00 0.00 58.87 56.31 1uf0 n SER 105 Cb 0.26 -0.81 -0.13 0.00 -1.01 0.00 0.00 64.21 62.52 1uf0 n SER 105 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 1uf0 n VAL 106 N -0.99 1.21 -0.06 0.44 0.31 -1.26 -4.66 118.33 113.32 1uf0 n VAL 106 Ca 0.55 -0.66 -0.07 0.00 -0.01 0.00 0.00 64.34 64.15 1uf0 n VAL 106 Cb 1.54 -0.76 -0.10 0.00 -0.91 0.00 0.00 33.84 33.61 1uf0 n VAL 106 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 1uf0 n ASN 107 N -2.79 1.98 -2.83 4.52 4.13 -1.26 -5.07 115.26 113.94 1uf0 n ASN 107 Ca -0.31 -0.01 -0.04 0.00 1.68 0.00 0.00 54.58 55.90 1uf0 n ASN 107 Cb 1.02 0.72 0.00 0.00 -1.54 0.00 0.00 39.78 39.99 1uf0 n ASN 107 CO 0.00 0.00 0.00 0.52 0.28 0.00 0.00 177.26 178.06 1uf0 n VAL 108 N -2.50 -9.85 -2.41 2.41 0.31 -1.25 -4.99 118.33 100.05 1uf0 n VAL 108 Ca -0.21 0.29 -0.00 0.00 -0.01 0.00 0.00 64.34 64.41 1uf0 n VAL 108 Cb 0.90 -6.83 0.06 0.00 -0.91 0.00 0.00 33.84 27.06 1uf0 n VAL 108 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 1uf0 n LYS 109 N -1.02 1.21 -4.32 5.55 4.76 -1.26 -5.08 118.16 117.99 1uf0 n LYS 109 Ca 0.05 -2.93 -0.24 0.00 -2.87 0.00 0.00 58.31 52.33 1uf0 n LYS 109 Cb 0.46 -1.02 -0.13 0.00 -1.84 0.00 0.00 35.03 32.50 1uf0 n LYS 109 CO 0.00 0.00 0.00 0.99 -1.37 0.00 0.00 177.40 177.02 1uf0 s THR 110 N -2.23 1.68 0.54 -0.18 2.01 -1.26 -5.07 115.64 111.13 1uf0 s THR 110 Ca 0.34 -1.49 0.00 0.00 0.31 0.00 0.00 61.69 60.85 1uf0 s THR 110 Cb 0.37 -1.52 0.00 0.00 0.01 0.00 0.00 72.50 71.36 1uf0 s THR 110 CO -0.09 -0.03 0.00 -1.20 -0.69 0.00 0.00 174.62 172.61 1uf0 n SER 111 N 1.19 -8.59 0.00 3.53 7.64 -1.26 -5.07 113.62 111.06 1uf0 n SER 111 Ca -0.19 1.19 0.00 0.00 1.01 0.00 0.00 58.87 60.88 1uf0 n SER 111 Cb 0.54 -4.86 0.00 0.00 -1.01 0.00 0.00 64.21 58.88 1uf0 n SER 111 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1uf0 n GLY 112 N -4.36 2.39 3.36 0.23 0.00 -1.26 -5.05 105.19 100.50 1uf0 n GLY 112 Ca -0.06 -1.78 -0.33 0.00 0.00 0.00 0.00 46.02 43.86 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 1.50 -0.76 0.09 1.61 -0.02 -1.26 -5.00 135.00 131.16 1uf0 n PRO 113 Ca 0.00 -0.19 0.00 0.00 -2.02 0.00 0.00 63.50 61.29 1uf0 n PRO 113 Cb 0.00 -1.78 0.00 0.00 -0.02 0.00 0.00 33.50 31.70 1uf0 n PRO 113 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1uf0 n SER 114 N -1.37 0.62 -1.42 2.55 2.88 -1.26 -5.15 113.62 110.47 1uf0 n SER 114 Ca 0.04 0.28 0.19 0.00 -1.33 0.00 0.00 58.87 58.05 1uf0 n SER 114 Cb 0.57 -0.05 -0.05 0.00 -0.75 0.00 0.00 64.21 63.93 1uf0 n SER 114 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1uf0 n SER 115 N -3.49 -8.44 0.00 -3.46 7.64 -1.26 -5.33 113.62 99.28 1uf0 n SER 115 Ca 0.00 0.64 0.00 0.00 1.01 0.00 0.00 58.87 60.52 1uf0 n SER 115 Cb 0.00 -4.34 0.00 0.00 -1.01 0.00 0.00 64.21 58.86 1uf0 n SER 115 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64