#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 1.56 -1.43 1.61 2.88 -1.26 -5.14 113.62 111.84 1uf0 n SER 2 Ca 0.00 0.03 0.19 0.00 -1.33 0.00 0.00 58.87 57.75 1uf0 n SER 2 Cb 0.00 -0.11 -0.07 0.00 -0.75 0.00 0.00 64.21 63.28 1uf0 n SER 2 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1uf0 n SER 3 N -3.00 -8.61 0.00 -3.46 2.88 -1.26 -5.04 113.62 95.13 1uf0 n SER 3 Ca -0.09 0.96 0.00 0.00 -1.33 0.00 0.00 58.87 58.41 1uf0 n SER 3 Cb 0.57 -4.60 0.00 0.00 -0.75 0.00 0.00 64.21 59.43 1uf0 n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1uf0 n GLY 4 N -4.29 -0.31 3.88 0.46 0.00 -1.26 -5.12 105.19 98.55 1uf0 n GLY 4 Ca -0.03 -1.73 -0.03 0.00 0.00 0.00 0.00 46.02 44.24 1uf0 n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1uf0 n SER 5 N -1.21 -1.72 -0.10 1.61 2.88 -1.26 -5.07 113.62 108.76 1uf0 n SER 5 Ca 0.00 -1.88 -0.18 0.00 -1.33 0.00 0.00 58.87 55.48 1uf0 n SER 5 Cb 0.00 2.79 -0.13 0.00 -0.75 0.00 0.00 64.21 66.12 1uf0 n SER 5 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1uf0 n SER 6 N -1.29 1.87 -0.62 -3.46 7.64 -1.26 -5.05 113.62 111.45 1uf0 n SER 6 Ca -0.02 -0.05 0.00 0.00 1.01 0.00 0.00 58.87 59.81 1uf0 n SER 6 Cb 0.59 -0.41 0.00 0.00 -1.01 0.00 0.00 64.21 63.38 1uf0 n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1uf0 n GLY 7 N 2.17 0.72 3.69 0.23 0.00 -1.26 -5.05 105.19 105.69 1uf0 n GLY 7 Ca -0.42 -0.42 -0.42 0.00 0.00 0.00 0.00 46.02 44.75 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 -2.02 4.43 -0.36 1.61 1.02 -1.26 -5.01 119.74 118.15 1uf0 s LYS 8 Ca 0.00 1.40 -0.00 0.00 0.02 0.00 0.00 55.97 57.39 1uf0 s LYS 8 Cb 0.00 -3.54 0.12 0.00 -0.52 0.00 0.00 37.83 33.89 1uf0 s LYS 8 CO 0.00 -0.31 0.18 0.21 -0.92 0.00 0.00 175.35 174.51 1uf0 s LYS 9 N 1.98 0.78 -0.24 1.68 2.47 -1.26 -5.11 119.74 120.05 1uf0 s LYS 9 Ca 0.49 -1.37 -0.24 0.00 -1.56 0.00 0.00 55.97 53.29 1uf0 s LYS 9 Cb -0.19 -1.81 -0.01 0.00 -1.46 0.00 0.00 37.83 34.37 1uf0 s LYS 9 CO 0.18 -1.11 0.81 0.00 0.16 0.00 0.00 175.35 175.40 1uf0 s ALA 10 N 1.13 3.63 -0.18 3.13 0.00 -1.26 -4.75 121.76 123.47 1uf0 s ALA 10 Ca 0.14 -0.15 -0.25 0.00 0.00 0.00 0.00 51.96 51.71 1uf0 s ALA 10 Cb -0.21 -3.26 -0.01 0.00 0.00 0.00 0.00 23.12 19.64 1uf0 s ALA 10 CO -0.11 -0.89 0.82 0.15 0.00 0.00 0.00 175.76 175.72 1uf0 s LYS 11 N 2.74 4.28 -0.18 0.00 1.02 -1.12 -4.81 119.74 121.67 1uf0 s LYS 11 Ca 0.34 0.98 -0.22 0.00 0.02 0.00 0.00 55.97 57.10 1uf0 s LYS 11 Cb -0.15 -3.58 -0.02 0.00 -0.52 0.00 0.00 37.83 33.55 1uf0 s LYS 11 CO 0.08 -0.33 0.68 0.15 -0.92 0.00 0.00 175.35 175.00 1uf0 s LYS 12 N 2.18 4.24 0.01 1.68 -0.14 -1.26 -1.44 119.74 125.01 1uf0 s LYS 12 Ca 0.37 0.72 0.01 0.00 -1.36 0.00 0.00 55.97 55.71 1uf0 s LYS 12 Cb -0.16 -3.57 -0.01 0.00 -1.68 0.00 0.00 37.83 32.41 1uf0 s LYS 12 CO 0.12 -0.24 -0.03 0.14 -0.76 0.00 0.00 175.35 174.58 1uf0 s VAL 13 N 1.91 0.16 0.08 3.17 -7.23 -1.16 0.32 120.40 117.64 1uf0 s VAL 13 Ca 0.31 -0.39 0.06 0.00 -1.81 0.00 0.00 61.98 60.15 1uf0 s VAL 13 Cb -0.16 -0.20 -0.04 0.00 0.56 0.00 0.00 36.38 36.54 1uf0 s VAL 13 CO 0.11 -0.15 -0.08 -0.60 -0.31 0.00 0.00 175.10 174.07 1uf0 s ARG 14 N -0.56 2.28 -0.11 4.82 3.52 -0.58 -1.43 118.95 126.90 1uf0 s ARG 14 Ca -0.05 -0.93 -0.01 0.00 -0.13 0.00 0.00 55.73 54.62 1uf0 s ARG 14 Cb -0.04 -2.38 0.03 0.00 -1.56 0.00 0.00 34.95 31.00 1uf0 s ARG 14 CO -0.00 0.54 -0.03 -0.06 -0.81 0.00 0.00 175.30 174.94 1uf0 s PHE 15 N -1.17 1.08 0.64 5.12 0.08 -0.11 -1.04 117.98 122.58 1uf0 s PHE 15 Ca 0.21 -0.52 0.06 0.00 0.12 0.00 0.00 56.93 56.79 1uf0 s PHE 15 Cb -0.11 -1.02 0.11 0.00 -0.57 0.00 0.00 43.02 41.43 1uf0 s PHE 15 CO 0.13 -0.45 0.88 0.71 -0.10 0.00 0.00 175.22 176.38 1uf0 s TYR 16 N 1.84 1.40 -0.28 0.36 2.02 0.05 -2.71 117.35 120.03 1uf0 s TYR 16 Ca 0.04 -0.58 -0.11 0.00 -0.37 0.00 0.00 57.07 56.05 1uf0 s TYR 16 Cb -0.13 -2.50 -0.05 0.00 -0.40 0.00 0.00 41.96 38.88 1uf0 s TYR 16 CO -0.07 -1.40 0.18 1.03 -1.57 0.00 0.00 175.55 173.73 1uf0 s ARG 17 N -4.86 3.94 -0.83 -0.62 0.52 -1.26 -2.05 118.95 113.79 1uf0 s ARG 17 Ca 0.64 -0.32 -0.25 0.00 -0.52 0.00 0.00 55.73 55.27 1uf0 s ARG 17 Cb -0.05 -3.64 -0.10 0.00 0.52 0.00 0.00 34.95 31.68 1uf0 s ARG 17 CO 0.41 -0.17 2.22 1.21 0.02 0.00 0.00 175.30 179.00 1uf0 s ASN 18 N 1.71 4.40 0.00 0.23 2.47 -1.21 -1.06 114.94 121.47 1uf0 s ASN 18 Ca 0.07 -0.23 0.00 0.00 0.42 0.00 0.00 52.86 53.12 1uf0 s ASN 18 Cb -0.16 -2.55 0.00 0.00 -1.45 0.00 0.00 41.25 37.09 1uf0 s ASN 18 CO 0.10 -3.41 0.00 0.61 -3.72 0.00 0.00 177.10 170.68 1uf0 n GLY 19 N 6.81 0.84 3.00 1.21 0.00 -1.26 -4.93 105.19 110.86 1uf0 n GLY 19 Ca 0.44 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 46.19 1uf0 n GLY 19 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1uf0 s ASP 20 N -0.51 2.15 -0.18 1.61 1.11 -0.23 -5.00 116.67 115.62 1uf0 s ASP 20 Ca 0.00 -0.35 0.15 0.00 0.18 0.00 0.00 52.55 52.53 1uf0 s ASP 20 Cb 0.00 -0.93 -0.21 0.00 1.07 0.00 0.00 42.92 42.85 1uf0 s ASP 20 CO 0.00 -0.02 0.04 -2.11 1.18 0.00 0.00 175.17 174.26 1uf0 n ARG 21 N 4.32 1.11 0.20 8.23 1.85 -1.26 -4.39 116.66 126.72 1uf0 n ARG 21 Ca -0.18 0.00 0.06 0.00 -1.00 0.00 0.00 57.85 56.73 1uf0 n ARG 21 Cb 0.51 -1.45 0.56 0.00 -1.05 0.00 0.00 32.46 31.04 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 0.11 -3.94 2.89 0.05 -1.95 -3.43 116.97 110.70 1uf0 h TYR 22 Ca -0.47 -0.00 -0.55 0.00 0.05 0.00 0.00 58.73 57.75 1uf0 h TYR 22 Cb 2.05 -0.04 0.13 0.00 1.01 0.00 0.00 36.73 39.89 1uf0 h TYR 22 CO 0.00 0.11 0.61 0.34 -1.05 0.00 0.00 178.16 178.18 1uf0 n PHE 23 N -4.48 2.39 -0.00 4.88 7.35 -1.26 -4.94 117.46 121.40 1uf0 n PHE 23 Ca -0.02 0.44 -0.10 0.00 -0.76 0.00 0.00 57.45 57.02 1uf0 n PHE 23 Cb 0.12 -2.39 -0.14 0.00 0.35 0.00 0.00 39.48 37.42 1uf0 n PHE 23 CO 0.00 0.00 0.00 0.87 -0.76 0.00 0.00 176.76 176.87 1uf0 h LYS 24 N 1.79 0.03 0.00 -4.13 1.57 -1.94 -3.49 116.57 110.40 1uf0 h LYS 24 Ca -0.50 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.22 1uf0 h LYS 24 Cb 1.29 0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.62 1uf0 h LYS 24 CO 0.59 0.65 0.00 0.41 -0.57 0.00 0.00 179.45 180.52 1uf0 n GLY 25 N 1.56 2.47 3.24 3.86 0.00 -1.26 -5.00 105.19 110.06 1uf0 n GLY 25 Ca -0.16 -1.96 -0.22 0.00 0.00 0.00 0.00 46.02 43.69 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 -2.78 1.48 0.24 -0.61 2.07 -1.10 -4.96 121.20 115.54 1uf0 s ILE 26 Ca 0.00 -1.43 0.08 0.00 -1.41 0.00 0.00 60.65 57.89 1uf0 s ILE 26 Cb 0.00 -1.37 -0.04 0.00 0.13 0.00 0.00 42.46 41.18 1uf0 s ILE 26 CO 0.00 -0.11 0.10 -0.69 -1.91 0.00 0.00 174.94 172.33 1uf0 s VAL 27 N -1.18 4.02 -0.15 4.00 1.01 -1.26 -0.94 120.40 125.91 1uf0 s VAL 27 Ca 0.03 -1.54 -0.07 0.00 0.00 0.00 0.00 61.98 60.40 1uf0 s VAL 27 Cb -0.10 -3.14 0.06 0.00 0.00 0.00 0.00 36.38 33.21 1uf0 s VAL 27 CO 0.03 -0.30 0.33 -0.31 0.00 0.00 0.00 175.10 174.85 1uf0 s TYR 28 N -2.10 -0.52 -0.54 5.22 1.51 -0.51 -5.00 117.35 115.41 1uf0 s TYR 28 Ca 0.31 1.12 -0.23 0.00 -1.01 0.00 0.00 57.07 57.26 1uf0 s TYR 28 Cb -0.08 0.15 0.05 0.00 -0.11 0.00 0.00 41.96 41.96 1uf0 s TYR 28 CO 0.22 -0.34 0.87 0.00 -1.11 0.00 0.00 175.55 175.20 1uf0 s ALA 29 N 1.78 3.21 -1.11 3.71 0.00 -1.26 -2.97 121.76 125.11 1uf0 s ALA 29 Ca -0.06 -1.37 -0.21 0.00 0.00 0.00 0.00 51.96 50.31 1uf0 s ALA 29 Cb -0.10 -3.65 0.05 0.00 0.00 0.00 0.00 23.12 19.41 1uf0 s ALA 29 CO -0.11 -2.32 1.60 0.42 0.00 0.00 0.00 175.76 175.35 1uf0 s ILE 30 N 3.66 3.94 0.07 0.00 -1.09 -0.52 -4.71 121.20 122.55 1uf0 s ILE 30 Ca 0.27 -1.14 0.05 0.00 -2.23 0.00 0.00 60.65 57.61 1uf0 s ILE 30 Cb -0.14 -5.02 -0.04 0.00 -1.58 0.00 0.00 42.46 35.68 1uf0 s ILE 30 CO 0.17 -1.87 -0.08 -0.44 -1.23 0.00 0.00 174.94 171.49 1uf0 s SER 31 N 4.97 4.55 0.16 3.58 0.01 -1.26 -2.80 113.70 122.90 1uf0 s SER 31 Ca 0.51 -0.27 -0.17 0.00 1.31 0.00 0.00 55.95 57.32 1uf0 s SER 31 Cb 0.01 -0.97 0.08 0.00 0.21 0.00 0.00 66.02 65.35 1uf0 s SER 31 CO -0.02 0.21 1.68 -0.65 0.41 0.00 0.00 173.24 174.87 1uf0 h PRO 32 N 3.91 0.02 -0.27 12.44 0.11 -1.89 0.56 132.00 146.90 1uf0 h PRO 32 Ca -0.48 -0.00 -0.11 0.00 0.11 0.00 0.00 66.00 65.52 1uf0 h PRO 32 Cb 1.17 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.26 1uf0 h PRO 32 CO 0.54 0.01 -0.28 0.22 -0.21 0.00 0.00 178.00 178.28 1uf0 h ASP 33 N 0.02 0.54 0.01 -2.05 3.58 -1.99 -3.33 116.42 113.21 1uf0 h ASP 33 Ca 0.18 -0.19 -0.00 0.00 0.42 0.00 0.00 57.03 57.43 1uf0 h ASP 33 Cb 0.27 -0.15 0.00 0.00 1.72 0.00 0.00 39.33 41.17 1uf0 h ASP 33 CO -0.36 0.80 -0.01 -0.09 -2.88 0.00 0.00 179.24 176.70 1uf0 h ARG 34 N 0.46 -0.02 -4.86 0.28 2.43 -1.67 -3.44 114.38 107.57 1uf0 h ARG 34 Ca 0.06 0.00 -0.67 0.00 -0.81 0.00 0.00 59.98 58.56 1uf0 h ARG 34 Cb 0.72 0.00 -0.28 0.00 -0.42 0.00 0.00 29.97 30.00 1uf0 h ARG 34 CO 0.06 -0.01 -0.66 -0.06 -1.51 0.00 0.00 179.97 177.78 1uf0 s PHE 35 N -1.80 3.10 -0.02 2.20 0.40 0.19 -4.96 117.98 117.08 1uf0 s PHE 35 Ca -0.00 -1.09 0.08 0.00 -0.60 0.00 0.00 56.93 55.31 1uf0 s PHE 35 Cb 0.00 -2.19 -0.24 0.00 0.51 0.00 0.00 43.02 41.11 1uf0 s PHE 35 CO 0.01 -0.60 0.74 -0.09 0.70 0.00 0.00 175.22 175.98 1uf0 h ARG 36 N 8.16 0.06 -4.07 0.44 9.65 -1.78 -3.38 114.38 123.46 1uf0 h ARG 36 Ca -0.33 -0.10 -0.14 0.00 -1.10 0.00 0.00 59.98 58.32 1uf0 h ARG 36 Cb 1.13 0.04 -0.13 0.00 -1.39 0.00 0.00 29.97 29.62 1uf0 h ARG 36 CO 0.59 0.71 -0.39 -1.54 2.80 0.00 0.00 179.97 182.15 1uf0 s SER 37 N -6.38 0.07 0.55 -3.80 1.04 -1.26 -5.03 113.70 98.88 1uf0 s SER 37 Ca -0.06 -1.05 0.23 0.00 0.48 0.00 0.00 55.95 55.55 1uf0 s SER 37 Cb 0.08 0.44 1.54 0.00 0.10 0.00 0.00 66.02 68.17 1uf0 s SER 37 CO 0.82 -0.92 2.18 0.15 0.98 0.00 0.00 173.24 176.46 1uf0 h PHE 38 N 2.54 0.00 -0.91 5.02 3.57 -1.93 -2.06 116.94 123.16 1uf0 h PHE 38 Ca -0.32 0.00 0.08 0.00 3.53 0.00 0.00 57.97 61.27 1uf0 h PHE 38 Cb 1.23 0.00 -0.06 0.00 2.79 0.00 0.00 35.95 39.91 1uf0 h PHE 38 CO 0.39 0.02 0.59 0.93 -2.23 0.00 0.00 178.31 178.01 1uf0 h GLU 39 N 0.00 0.93 -0.02 1.11 5.08 -1.95 0.23 114.58 119.95 1uf0 h GLU 39 Ca -0.00 -0.06 -0.20 0.00 -1.00 0.00 0.00 59.36 58.10 1uf0 h GLU 39 Cb 0.05 -0.21 -0.00 0.00 0.50 0.00 0.00 28.75 29.09 1uf0 h GLU 39 CO 0.00 0.61 -0.86 0.00 -1.00 0.00 0.00 179.01 177.77 1uf0 h ALA 40 N 1.53 0.49 -0.03 3.43 0.00 -1.79 -2.39 119.26 120.50 1uf0 h ALA 40 Ca 0.41 -0.68 -0.14 0.00 0.00 0.00 0.00 54.91 54.49 1uf0 h ALA 40 Cb 0.33 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 1uf0 h ALA 40 CO -0.17 0.83 -0.64 1.25 0.00 0.00 0.00 179.25 180.53 1uf0 h LEU 41 N 0.20 0.14 -0.02 0.00 5.85 -1.22 -2.60 115.31 117.66 1uf0 h LEU 41 Ca -0.05 -0.08 -0.15 0.00 0.84 0.00 0.00 57.88 58.44 1uf0 h LEU 41 Cb 1.47 -0.04 0.01 0.00 0.37 0.00 0.00 40.66 42.47 1uf0 h LEU 41 CO 0.14 0.74 -0.56 -0.07 -0.34 0.00 0.00 178.44 178.35 1uf0 h LEU 42 N 0.09 0.53 -1.40 2.25 3.38 -0.58 -2.45 115.31 117.13 1uf0 h LEU 42 Ca -0.01 -0.74 -0.03 0.00 0.09 0.00 0.00 57.88 57.19 1uf0 h LEU 42 Cb 1.14 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.72 1uf0 h LEU 42 CO 0.09 1.19 0.05 0.00 0.09 0.00 0.00 178.44 179.86 1uf0 h ALA 43 N 0.35 1.52 -0.04 1.53 0.00 -1.45 -0.90 119.26 120.26 1uf0 h ALA 43 Ca -0.06 -0.15 -0.21 0.00 0.00 0.00 0.00 54.91 54.49 1uf0 h ALA 43 Cb 1.26 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.92 1uf0 h ALA 43 CO 0.11 0.36 -0.85 -0.44 0.00 0.00 0.00 179.25 178.42 1uf0 h ASP 44 N 0.44 0.57 0.45 0.00 3.32 -1.50 -2.98 116.42 116.72 1uf0 h ASP 44 Ca 0.10 -0.42 -0.13 0.00 0.02 0.00 0.00 57.03 56.60 1uf0 h ASP 44 Cb 0.22 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.58 1uf0 h ASP 44 CO 0.00 1.20 -0.58 -0.07 -1.72 0.00 0.00 179.24 178.07 1uf0 h LEU 45 N 0.28 0.15 -0.89 1.55 3.38 -0.97 -2.96 115.31 115.85 1uf0 h LEU 45 Ca -0.06 -0.08 -0.12 0.00 0.09 0.00 0.00 57.88 57.71 1uf0 h LEU 45 Cb 1.47 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 42.16 1uf0 h LEU 45 CO 0.15 0.69 -0.54 0.74 0.09 0.00 0.00 178.44 179.57 1uf0 h THR 46 N 0.10 1.39 0.00 0.22 2.02 -1.16 0.13 112.91 115.59 1uf0 h THR 46 Ca -0.00 -1.85 -0.13 0.00 0.77 0.00 0.00 66.41 65.20 1uf0 h THR 46 Cb 1.05 1.98 -0.02 0.00 -1.74 0.00 0.00 68.15 69.42 1uf0 h THR 46 CO 0.08 0.53 -0.60 -0.09 0.37 0.00 0.00 175.52 175.82 1uf0 h ARG 47 N 0.03 0.00 0.00 6.66 2.43 -1.36 -3.37 114.38 118.77 1uf0 h ARG 47 Ca -0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1uf0 h ARG 47 Cb 0.97 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.52 1uf0 h ARG 47 CO 0.07 0.60 0.00 0.25 -1.51 0.00 0.00 179.97 179.38 1uf0 n THR 48 N -3.79 0.00 -2.47 0.20 -2.24 -1.11 -4.79 114.28 100.08 1uf0 n THR 48 Ca -0.01 0.20 -0.39 0.00 -2.27 0.00 0.00 64.05 61.58 1uf0 n THR 48 Cb 0.61 -1.17 -0.02 0.00 -2.10 0.00 0.00 70.33 67.64 1uf0 n THR 48 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1uf0 s LEU 49 N -3.72 3.56 -0.30 3.22 1.43 0.42 -4.84 118.68 118.46 1uf0 s LEU 49 Ca 0.00 -1.81 -0.25 0.00 -1.03 0.00 0.00 54.13 51.05 1uf0 s LEU 49 Cb 0.00 -2.58 0.18 0.00 0.03 0.00 0.00 46.19 43.83 1uf0 s LEU 49 CO 0.00 -1.65 1.38 -0.55 0.23 0.00 0.00 176.35 175.76 1uf0 s SER 50 N 5.12 -0.11 0.34 2.29 0.15 -1.26 -4.46 113.70 115.78 1uf0 s SER 50 Ca 0.54 0.21 -0.10 0.00 0.70 0.00 0.00 55.95 57.30 1uf0 s SER 50 Cb 0.01 0.25 0.04 0.00 -1.71 0.00 0.00 66.02 64.61 1uf0 s SER 50 CO 0.01 -0.04 0.63 0.47 1.20 0.00 0.00 173.24 175.51 1uf0 n ASP 51 N 1.74 -1.83 -2.17 5.45 9.92 -1.08 -4.97 116.55 123.61 1uf0 n ASP 51 Ca -0.11 -2.47 -0.24 0.00 -0.53 0.00 0.00 54.79 51.44 1uf0 n ASP 51 Cb 0.57 3.11 0.15 0.00 -0.64 0.00 0.00 41.12 44.31 1uf0 n ASP 51 CO 0.00 0.00 0.00 0.59 0.13 0.00 0.00 177.20 177.92 1uf0 n ASN 52 N -1.52 4.31 0.00 -2.24 4.13 -1.26 -1.04 115.26 117.65 1uf0 n ASN 52 Ca -0.06 -3.54 0.00 0.00 1.68 0.00 0.00 54.58 52.66 1uf0 n ASN 52 Cb 0.52 -0.85 0.00 0.00 -1.54 0.00 0.00 39.78 37.92 1uf0 n ASN 52 CO 0.00 0.00 0.00 0.52 0.28 0.00 0.00 177.26 178.06 1uf0 n VAL 53 N -1.00 0.00 -0.10 2.41 0.31 -1.26 -4.86 118.33 113.83 1uf0 n VAL 53 Ca 0.57 0.00 -0.22 0.00 -0.01 0.00 0.00 64.34 64.68 1uf0 n VAL 53 Cb 1.46 -0.56 -0.07 0.00 -0.91 0.00 0.00 33.84 33.75 1uf0 n VAL 53 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 1uf0 n ASN 54 N -2.32 1.41 -3.59 4.52 3.02 -1.26 -4.84 115.26 112.20 1uf0 n ASN 54 Ca 0.00 0.25 -0.27 0.00 -0.03 0.00 0.00 54.58 54.52 1uf0 n ASN 54 Cb 0.19 -0.59 -0.10 0.00 -0.61 0.00 0.00 39.78 38.67 1uf0 n ASN 54 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1uf0 n LEU 55 N -3.90 2.46 0.34 3.41 4.77 -1.22 -4.97 117.00 117.88 1uf0 n LEU 55 Ca -0.40 -5.11 -0.18 0.00 -0.03 0.00 0.00 56.01 50.29 1uf0 n LEU 55 Cb 0.78 -0.39 -0.09 0.00 -2.33 0.00 0.00 43.42 41.39 1uf0 n LEU 55 CO 0.02 1.91 0.58 -0.65 -1.33 0.00 0.00 177.39 177.92 1uf0 h PRO 56 N 4.87 -0.95 0.67 3.23 0.11 -1.41 -2.85 132.00 135.67 1uf0 h PRO 56 Ca 0.17 0.06 -0.03 0.00 0.11 0.00 0.00 66.00 66.32 1uf0 h PRO 56 Cb 0.76 0.22 0.01 0.00 0.11 0.00 0.00 31.00 32.09 1uf0 h PRO 56 CO 0.68 -0.63 -0.32 1.96 -0.21 0.00 0.00 178.00 179.47 1uf0 h GLN 57 N -0.99 -0.87 0.00 1.05 7.50 -1.93 -3.45 115.11 116.42 1uf0 h GLN 57 Ca -0.07 0.06 0.00 0.00 0.50 0.00 0.00 58.65 59.14 1uf0 h GLN 57 Cb 0.82 0.20 0.00 0.00 0.05 0.00 0.00 27.48 28.55 1uf0 h GLN 57 CO 0.03 -0.56 0.00 0.41 -1.50 0.00 0.00 178.83 177.21 1uf0 n GLY 58 N -1.36 0.17 3.80 3.46 0.00 -1.22 -5.06 105.19 104.97 1uf0 n GLY 58 Ca -0.13 -1.63 -0.38 0.00 0.00 0.00 0.00 46.02 43.88 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 -2.57 4.95 0.04 1.61 0.11 -1.26 -4.56 120.40 118.72 1uf0 s VAL 59 Ca 0.00 1.02 0.00 0.00 -2.93 0.00 0.00 61.98 60.07 1uf0 s VAL 59 Cb 0.00 -3.81 0.00 0.00 -1.53 0.00 0.00 36.38 31.04 1uf0 s VAL 59 CO 0.00 0.51 0.00 0.54 -3.33 0.00 0.00 175.10 172.82 1uf0 n ARG 60 N 2.18 0.00 -4.44 1.54 5.12 -1.06 -4.92 116.66 115.08 1uf0 n ARG 60 Ca -0.11 0.00 -0.34 0.00 -1.93 0.00 0.00 57.85 55.47 1uf0 n ARG 60 Cb 0.52 -0.01 -0.14 0.00 -1.16 0.00 0.00 32.46 31.67 1uf0 n ARG 60 CO 0.00 0.00 0.00 0.99 -1.93 0.00 0.00 177.63 176.69 1uf0 s THR 61 N -2.00 3.39 -0.32 0.55 2.01 -0.66 -5.01 115.64 113.60 1uf0 s THR 61 Ca 0.00 -0.52 0.02 0.00 0.31 0.00 0.00 61.69 61.49 1uf0 s THR 61 Cb 0.00 -2.48 0.08 0.00 0.01 0.00 0.00 72.50 70.12 1uf0 s THR 61 CO 0.00 0.49 0.02 -0.63 -0.69 0.00 0.00 174.62 173.81 1uf0 s ILE 62 N 0.63 2.50 0.54 1.82 1.01 -1.26 0.00 121.20 126.45 1uf0 s ILE 62 Ca -0.05 -1.95 -0.07 0.00 0.00 0.00 0.00 60.65 58.59 1uf0 s ILE 62 Cb -0.15 -2.66 -0.03 0.00 0.01 0.00 0.00 42.46 39.64 1uf0 s ILE 62 CO 0.03 -0.37 0.87 -0.31 0.00 0.00 0.00 174.94 175.16 1uf0 s TYR 63 N 1.05 3.52 1.11 3.97 2.02 -1.04 -0.00 117.35 127.97 1uf0 s TYR 63 Ca 0.02 0.91 -0.19 0.00 -0.37 0.00 0.00 57.07 57.44 1uf0 s TYR 63 Cb -0.20 -2.50 0.28 0.00 -0.40 0.00 0.00 41.96 39.14 1uf0 s TYR 63 CO -0.05 -0.50 0.84 0.25 -1.57 0.00 0.00 175.55 174.52 1uf0 n THR 64 N -2.46 0.00 0.16 -0.71 -2.24 -1.04 0.02 114.28 108.01 1uf0 n THR 64 Ca 0.03 -0.25 0.04 0.00 -2.27 0.00 0.00 64.05 61.60 1uf0 n THR 64 Cb 0.55 -1.06 0.16 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 -2.86 0.86 0.03 2.28 2.10 -1.76 -3.21 117.51 114.95 1uf0 h ILE 65 Ca -0.34 -1.93 -0.25 0.00 1.08 0.00 0.00 64.86 63.42 1uf0 h ILE 65 Cb 1.07 2.22 -0.03 0.00 -1.09 0.00 0.00 36.82 39.00 1uf0 h ILE 65 CO 0.21 0.44 -1.23 0.44 -1.08 0.00 0.00 178.15 176.93 1uf0 h ASP 66 N 0.00 0.10 -1.57 2.19 3.32 -1.92 -3.48 116.42 115.07 1uf0 h ASP 66 Ca -0.00 -0.13 0.00 0.00 0.02 0.00 0.00 57.03 56.92 1uf0 h ASP 66 Cb 1.19 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 40.70 1uf0 h ASP 66 CO 0.06 1.10 0.00 0.61 -1.72 0.00 0.00 179.24 179.29 1uf0 n GLY 67 N 1.45 0.80 1.78 2.75 0.00 -1.21 -5.02 105.19 105.74 1uf0 n GLY 67 Ca -0.06 -0.45 0.00 0.00 0.00 0.00 0.00 46.02 45.50 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 -0.78 0.08 -4.98 0.99 4.77 -1.26 -5.01 117.00 110.80 1uf0 n LEU 68 Ca 0.00 0.30 -0.21 0.00 -0.03 0.00 0.00 56.01 56.08 1uf0 n LEU 68 Cb 0.29 0.18 0.02 0.00 -2.33 0.00 0.00 43.42 41.57 1uf0 n LEU 68 CO 0.00 -0.67 0.24 -0.75 -1.33 0.00 0.00 177.39 174.88 1uf0 s LYS 69 N -2.00 2.87 -0.07 3.23 2.20 -1.26 -4.99 119.74 119.72 1uf0 s LYS 69 Ca 0.00 -0.81 0.02 0.00 -0.36 0.00 0.00 55.97 54.81 1uf0 s LYS 69 Cb 0.00 -2.62 0.02 0.00 -1.51 0.00 0.00 37.83 33.71 1uf0 s LYS 69 CO 0.00 -0.35 -0.10 -1.59 -0.36 0.00 0.00 175.35 172.95 1uf0 s LYS 70 N -4.51 1.50 0.23 4.03 0.00 -1.26 -2.50 119.74 117.23 1uf0 s LYS 70 Ca 0.52 -0.33 -0.30 0.00 0.00 0.00 0.00 55.97 55.86 1uf0 s LYS 70 Cb -0.10 -1.31 -0.09 0.00 0.00 0.00 0.00 37.83 36.34 1uf0 s LYS 70 CO 0.36 -0.02 1.04 0.42 0.00 0.00 0.00 175.35 177.14 1uf0 s ILE 71 N 0.82 3.84 0.00 3.79 -1.09 1.00 -4.94 121.20 124.63 1uf0 s ILE 71 Ca -0.12 1.76 0.00 0.00 -2.23 0.00 0.00 60.65 60.06 1uf0 s ILE 71 Cb -0.15 -4.12 0.00 0.00 -1.58 0.00 0.00 42.46 36.61 1uf0 s ILE 71 CO 0.02 0.38 0.00 -0.24 -1.23 0.00 0.00 174.94 173.87 1uf0 n SER 72 N 1.68 1.44 -4.86 3.58 2.88 -1.26 -4.01 113.62 113.07 1uf0 n SER 72 Ca -0.00 0.00 -0.29 0.00 -1.33 0.00 0.00 58.87 57.24 1uf0 n SER 72 Cb 0.46 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.89 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 -4.34 4.44 0.08 -3.46 0.01 -1.26 -4.89 113.70 104.29 1uf0 s SER 73 Ca 0.00 -1.45 -0.02 0.00 1.31 0.00 0.00 55.95 55.79 1uf0 s SER 73 Cb 0.00 0.57 -0.27 0.00 0.21 0.00 0.00 66.02 66.54 1uf0 s SER 73 CO 0.00 -1.06 1.17 -0.07 0.41 0.00 0.00 173.24 173.68 1uf0 h LEU 74 N 0.93 0.35 -1.70 2.44 3.38 -1.97 -3.26 115.31 115.47 1uf0 h LEU 74 Ca -0.39 -0.38 -0.03 0.00 0.09 0.00 0.00 57.88 57.17 1uf0 h LEU 74 Cb 1.31 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.94 1uf0 h LEU 74 CO 0.63 1.29 -0.10 -0.78 0.09 0.00 0.00 178.44 179.58 1uf0 h ASP 75 N 0.06 0.06 0.17 -0.43 3.58 -2.02 -1.74 116.42 116.10 1uf0 h ASP 75 Ca -0.11 -0.01 -0.05 0.00 0.42 0.00 0.00 57.03 57.28 1uf0 h ASP 75 Cb 1.93 -0.02 -0.01 0.00 1.72 0.00 0.00 39.33 42.96 1uf0 h ASP 75 CO 0.19 0.17 -0.20 1.56 -2.88 0.00 0.00 179.24 178.08 1uf0 h GLN 76 N 0.06 0.07 -6.99 0.28 1.08 -1.98 -3.44 115.11 104.20 1uf0 h GLN 76 Ca 0.01 -0.02 -0.56 0.00 -1.45 0.00 0.00 58.65 56.64 1uf0 h GLN 76 Cb 0.22 -0.01 0.14 0.00 -0.05 0.00 0.00 27.48 27.78 1uf0 h GLN 76 CO 0.01 0.27 0.53 1.28 -0.95 0.00 0.00 178.83 179.97 1uf0 n LEU 77 N -4.27 5.15 -4.48 1.46 4.77 -0.66 -5.01 117.00 113.95 1uf0 n LEU 77 Ca -0.02 0.97 -0.33 0.00 -0.03 0.00 0.00 56.01 56.60 1uf0 n LEU 77 Cb 0.28 -1.54 -0.13 0.00 -2.33 0.00 0.00 43.42 39.69 1uf0 n LEU 77 CO 0.37 -0.76 -0.44 -0.69 -1.33 0.00 0.00 177.39 174.54 1uf0 s VAL 78 N -1.30 3.15 -0.12 4.08 1.01 -1.26 -5.07 120.40 120.89 1uf0 s VAL 78 Ca 0.71 -0.68 -0.29 0.00 0.00 0.00 0.00 61.98 61.72 1uf0 s VAL 78 Cb -0.43 -2.25 -0.06 0.00 0.00 0.00 0.00 36.38 33.65 1uf0 s VAL 78 CO 0.50 0.59 1.88 -0.70 0.00 0.00 0.00 175.10 177.36 1uf0 s GLU 79 N -0.66 3.79 -0.10 2.72 2.12 -1.26 -3.48 118.70 121.83 1uf0 s GLU 79 Ca 0.10 2.12 -0.00 0.00 0.36 0.00 0.00 54.97 57.54 1uf0 s GLU 79 Cb -0.11 -4.15 -0.00 0.00 0.26 0.00 0.00 34.13 30.13 1uf0 s GLU 79 CO 0.01 -1.33 0.09 0.41 -0.54 0.00 0.00 175.26 173.91 1uf0 n GLY 80 N 4.82 -0.14 3.52 -1.50 0.00 0.15 -4.91 105.19 107.13 1uf0 n GLY 80 Ca 0.22 -0.13 -0.14 0.00 0.00 0.00 0.00 46.02 45.96 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 -3.05 1.96 0.06 1.61 0.41 -1.23 -5.06 118.70 113.40 1uf0 s GLU 81 Ca 0.01 -1.74 0.04 0.00 -0.41 0.00 0.00 54.97 52.88 1uf0 s GLU 81 Cb -0.00 0.46 -0.03 0.00 -1.78 0.00 0.00 34.13 32.78 1uf0 s GLU 81 CO 0.09 -0.82 -0.13 -1.12 -0.49 0.00 0.00 175.26 172.79 1uf0 s SER 82 N -3.23 1.48 -0.01 -0.19 0.01 -1.26 -1.52 113.70 108.98 1uf0 s SER 82 Ca 0.29 -0.56 -0.06 0.00 1.31 0.00 0.00 55.95 56.93 1uf0 s SER 82 Cb -0.01 -0.04 0.00 0.00 0.21 0.00 0.00 66.02 66.18 1uf0 s SER 82 CO 0.20 -0.08 0.13 -0.31 0.41 0.00 0.00 173.24 173.58 1uf0 s TYR 83 N -1.19 0.02 -0.41 2.43 1.51 -0.21 -2.06 117.35 117.44 1uf0 s TYR 83 Ca -0.03 -0.07 -0.17 0.00 -1.01 0.00 0.00 57.07 55.79 1uf0 s TYR 83 Cb -0.09 -0.04 0.02 0.00 -0.11 0.00 0.00 41.96 41.73 1uf0 s TYR 83 CO 0.02 -0.24 0.40 0.08 -1.11 0.00 0.00 175.55 174.69 1uf0 s VAL 84 N -1.13 5.13 0.04 0.71 1.01 0.10 -0.77 120.40 125.49 1uf0 s VAL 84 Ca -0.12 -0.39 -0.30 0.00 0.00 0.00 0.00 61.98 61.17 1uf0 s VAL 84 Cb -0.07 -4.00 -0.08 0.00 0.00 0.00 0.00 36.38 32.23 1uf0 s VAL 84 CO 0.01 -0.37 1.85 0.00 0.00 0.00 0.00 175.10 176.59 1uf0 s GLY 86 N 3.69 1.59 0.00 0.00 0.00 0.10 -3.32 107.32 109.38 1uf0 s GLY 86 Ca 0.83 -1.79 0.00 0.00 0.00 0.00 0.00 44.72 43.76 1uf0 s GLY 86 CO 0.37 -1.67 0.00 -1.26 0.00 0.00 0.00 173.10 170.54 1uf0 n SER 87 N -0.43 0.00 -0.00 1.64 2.88 -1.26 -1.66 113.62 114.79 1uf0 n SER 87 Ca -0.05 0.00 -0.00 0.00 -1.33 0.00 0.00 58.87 57.49 1uf0 n SER 87 Cb 0.64 0.00 -0.00 0.00 -0.75 0.00 0.00 64.21 64.10 1uf0 n SER 87 CO 0.00 0.00 0.00 -0.38 -1.23 0.00 0.00 175.04 173.43 1uf0 n ILE 88 N -2.00 0.01 -1.89 2.46 -0.00 -1.26 -4.59 119.36 112.09 1uf0 n ILE 88 Ca 0.00 -0.01 -0.39 0.00 -0.00 0.00 0.00 62.75 62.35 1uf0 n ILE 88 Cb 0.00 -0.63 0.02 0.00 -0.00 0.00 0.00 39.64 39.02 1uf0 n ILE 88 CO 0.00 0.00 0.00 -1.83 -0.00 0.00 0.00 176.55 174.72 1uf0 s GLU 89 N -2.00 3.58 0.35 0.38 1.03 -1.26 -5.00 118.70 115.77 1uf0 s GLU 89 Ca -0.00 2.25 -0.05 0.00 0.03 0.00 0.00 54.97 57.19 1uf0 s GLU 89 Cb 0.00 -2.53 0.08 0.00 -0.80 0.00 0.00 34.13 30.88 1uf0 s GLU 89 CO 0.01 -0.84 0.18 -2.30 -1.33 0.00 0.00 175.26 170.97 1uf0 n PRO 90 N -0.42 -1.32 -3.40 -4.83 -0.02 -1.26 -4.94 135.00 118.81 1uf0 n PRO 90 Ca 0.07 -0.30 -0.38 0.00 -2.02 0.00 0.00 63.50 60.87 1uf0 n PRO 90 Cb 0.44 -0.48 -0.08 0.00 -0.02 0.00 0.00 33.50 33.36 1uf0 n PRO 90 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 1uf0 s PHE 91 N -1.09 3.37 -0.17 6.00 2.19 -1.26 -4.97 117.98 122.06 1uf0 s PHE 91 Ca 0.14 0.60 -0.08 0.00 0.33 0.00 0.00 56.93 57.92 1uf0 s PHE 91 Cb -0.02 -2.51 -0.04 0.00 -1.31 0.00 0.00 43.02 39.13 1uf0 s PHE 91 CO 0.11 -0.00 0.09 0.15 1.83 0.00 0.00 175.22 177.40 1uf0 s LYS 92 N 1.29 3.85 -0.45 10.12 1.02 -1.26 -5.07 119.74 129.24 1uf0 s LYS 92 Ca 0.19 -0.27 -0.21 0.00 0.02 0.00 0.00 55.97 55.70 1uf0 s LYS 92 Cb -0.15 -3.24 0.03 0.00 -0.52 0.00 0.00 37.83 33.96 1uf0 s LYS 92 CO 0.08 0.42 0.65 0.21 -0.92 0.00 0.00 175.35 175.78 1uf0 s LYS 93 N -0.02 3.25 0.15 1.68 2.20 -1.26 -4.80 119.74 120.94 1uf0 s LYS 93 Ca 0.08 -0.46 0.07 0.00 -0.36 0.00 0.00 55.97 55.30 1uf0 s LYS 93 Cb -0.12 -3.98 -0.04 0.00 -1.51 0.00 0.00 37.83 32.18 1uf0 s LYS 93 CO 0.00 -1.06 -0.16 -0.51 -0.36 0.00 0.00 175.35 173.27 1uf0 s LEU 94 N 2.82 2.44 -0.84 5.43 1.43 -1.26 -5.09 118.68 123.61 1uf0 s LEU 94 Ca 0.21 -0.87 -0.22 0.00 -1.03 0.00 0.00 54.13 52.23 1uf0 s LEU 94 Cb -0.15 -0.70 0.09 0.00 0.03 0.00 0.00 46.19 45.46 1uf0 s LEU 94 CO 0.18 -0.10 1.15 -1.61 0.23 0.00 0.00 176.35 176.20 1uf0 s GLU 95 N -2.88 3.40 -0.16 1.70 2.02 -1.26 -4.83 118.70 116.68 1uf0 s GLU 95 Ca 0.14 -1.18 -0.13 0.00 0.02 0.00 0.00 54.97 53.82 1uf0 s GLU 95 Cb -0.05 -4.71 -0.08 0.00 0.10 0.00 0.00 34.13 29.40 1uf0 s GLU 95 CO 0.05 -1.91 -0.06 0.66 0.02 0.00 0.00 175.26 174.02 1uf0 n TYR 96 N 7.66 0.96 -0.01 1.61 4.01 -1.26 -4.20 117.16 125.93 1uf0 n TYR 96 Ca 0.15 0.42 0.23 0.00 -0.16 0.00 0.00 57.90 58.54 1uf0 n TYR 96 Cb 0.48 -0.88 0.71 0.00 -0.31 0.00 0.00 39.34 39.34 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 -1.00 0.36 -0.22 -0.72 1.35 -1.97 0.19 112.91 110.90 1uf0 h THR 97 Ca -0.11 0.00 0.06 0.00 -0.55 0.00 0.00 66.41 65.81 1uf0 h THR 97 Cb 0.76 0.54 -0.01 0.00 -1.73 0.00 0.00 68.15 67.71 1uf0 h THR 97 CO -0.07 0.00 0.18 0.50 -0.25 0.00 0.00 175.52 175.88 1uf0 h LYS 98 N 0.00 0.00 -0.66 4.72 3.64 -1.97 -0.01 116.57 122.29 1uf0 h LYS 98 Ca 0.29 0.00 -0.47 0.00 -1.27 0.00 0.00 60.65 59.20 1uf0 h LYS 98 Cb 1.46 0.00 -0.41 0.00 -0.41 0.00 0.00 32.23 32.87 1uf0 h LYS 98 CO -0.00 0.00 -0.88 0.27 -2.27 0.00 0.00 179.45 176.57 1uf0 n ASN 99 N -4.23 4.12 0.03 4.20 0.23 0.65 -4.78 115.26 115.48 1uf0 n ASN 99 Ca 0.02 -3.38 0.00 0.00 -0.53 0.00 0.00 54.58 50.69 1uf0 n ASN 99 Cb 0.32 -0.37 0.00 0.00 -2.08 0.00 0.00 39.78 37.64 1uf0 n ASN 99 CO 0.00 0.00 0.00 0.52 -0.93 0.00 0.00 177.26 176.85 1uf0 n VAL 100 N -0.69 0.00 -1.42 3.53 0.31 -0.82 -4.98 118.33 114.26 1uf0 n VAL 100 Ca 0.35 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.68 1uf0 n VAL 100 Cb 0.93 -0.16 0.00 0.00 -0.91 0.00 0.00 33.84 33.69 1uf0 n VAL 100 CO 0.00 0.00 0.00 -3.20 -1.32 0.00 0.00 176.83 172.31 1uf0 n ASN 101 N -2.65 -7.68 -4.58 4.52 5.15 -0.08 -4.48 115.26 105.46 1uf0 n ASN 101 Ca 0.00 1.65 -0.31 0.00 -0.60 0.00 0.00 54.58 55.32 1uf0 n ASN 101 Cb 0.00 -4.48 -0.05 0.00 -0.53 0.00 0.00 39.78 34.72 1uf0 n ASN 101 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 1uf0 s PRO 102 N -5.16 2.78 -0.37 1.20 0.04 -1.26 -4.59 135.00 127.64 1uf0 s PRO 102 Ca 0.00 -1.27 0.13 0.00 0.04 0.00 0.00 61.00 59.90 1uf0 s PRO 102 Cb 0.00 -5.29 0.41 0.00 0.04 0.00 0.00 34.50 29.66 1uf0 s PRO 102 CO 0.00 -3.63 1.04 -1.71 0.04 0.00 0.00 177.00 172.74 1uf0 n ASN 103 N 13.23 0.01 0.00 6.66 5.15 -1.26 -4.92 115.26 134.13 1uf0 n ASN 103 Ca 0.45 -2.81 0.00 0.00 -0.60 0.00 0.00 54.58 51.62 1uf0 n ASN 103 Cb 0.47 0.15 0.00 0.00 -0.53 0.00 0.00 39.78 39.86 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 -0.10 0.00 -1.34 1.20 4.27 -1.26 -4.90 117.44 115.31 1uf0 n TRP 104 Ca 0.08 0.00 -0.39 0.00 -3.89 0.00 0.00 57.50 53.30 1uf0 n TRP 104 Cb 0.79 0.26 -0.03 0.00 -1.36 0.00 0.00 31.31 30.97 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 -2.32 8.01 0.00 -0.67 7.64 -1.26 -3.64 113.62 121.37 1uf0 n SER 105 Ca 0.00 -2.60 0.00 0.00 1.01 0.00 0.00 58.87 57.28 1uf0 n SER 105 Cb 0.11 -1.55 0.00 0.00 -1.01 0.00 0.00 64.21 61.76 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 3.81 0.00 -1.16 0.44 0.31 -1.26 -4.96 118.33 115.50 1uf0 n VAL 106 Ca 0.74 0.00 -0.37 0.00 -0.01 0.00 0.00 64.34 64.70 1uf0 n VAL 106 Cb 0.25 -0.23 -0.03 0.00 -0.91 0.00 0.00 33.84 32.91 1uf0 n VAL 106 CO 0.00 0.00 0.00 -3.20 -1.32 0.00 0.00 176.83 172.31 1uf0 n ASN 107 N -2.25 3.89 -3.81 4.52 2.85 -1.24 -4.80 115.26 114.43 1uf0 n ASN 107 Ca 0.00 -2.61 -0.11 0.00 -0.11 0.00 0.00 54.58 51.75 1uf0 n ASN 107 Cb 0.00 -1.24 -0.08 0.00 1.24 0.00 0.00 39.78 39.70 1uf0 n ASN 107 CO 0.00 0.00 0.00 -0.69 -2.11 0.00 0.00 177.26 174.46 1uf0 s VAL 108 N 4.03 0.10 -1.05 3.44 1.01 -1.26 -4.95 120.40 121.71 1uf0 s VAL 108 Ca 0.52 -0.78 -0.05 0.00 0.00 0.00 0.00 61.98 61.67 1uf0 s VAL 108 Cb 0.14 -0.90 -0.05 0.00 0.00 0.00 0.00 36.38 35.56 1uf0 s VAL 108 CO 0.03 -0.43 0.91 1.17 0.00 0.00 0.00 175.10 176.77 1uf0 n LYS 109 N 0.69 -3.02 -2.23 2.72 4.81 -1.26 -4.56 118.16 115.31 1uf0 n LYS 109 Ca -0.19 0.84 0.00 0.00 -0.87 0.00 0.00 58.31 58.09 1uf0 n LYS 109 Cb 0.59 -5.72 0.00 0.00 0.02 0.00 0.00 35.03 29.92 1uf0 n LYS 109 CO 0.00 0.00 0.00 2.41 1.17 0.00 0.00 177.40 180.98 1uf0 n THR 110 N -3.35-12.99 -3.62 3.15 -1.04 -1.26 -4.95 114.28 90.22 1uf0 n THR 110 Ca -0.11 3.09 -0.37 0.00 -2.04 0.00 0.00 64.05 64.61 1uf0 n THR 110 Cb 0.63 -5.87 -0.10 0.00 -1.82 0.00 0.00 70.33 63.17 1uf0 n THR 110 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 1uf0 s SER 111 N -0.56 6.05 0.46 8.00 1.04 -1.26 -5.08 113.70 122.34 1uf0 s SER 111 Ca 0.00 0.04 -0.20 0.00 0.48 0.00 0.00 55.95 56.27 1uf0 s SER 111 Cb 0.00 -2.11 -0.10 0.00 0.10 0.00 0.00 66.02 63.91 1uf0 s SER 111 CO 0.00 -0.00 0.98 -0.83 0.98 0.00 0.00 173.24 174.37 1uf0 s GLY 112 N 1.46 2.40 0.20 7.32 0.00 -1.26 -4.98 107.32 112.45 1uf0 s GLY 112 Ca 0.07 0.45 -0.03 0.00 0.00 0.00 0.00 44.72 45.21 1uf0 s GLY 112 CO 0.08 0.74 1.55 -0.56 0.00 0.00 0.00 173.10 174.91 1uf0 h PRO 113 N 1.68 0.60 0.00 2.90 0.13 -1.98 -3.47 132.00 131.86 1uf0 h PRO 113 Ca -0.49 -0.33 0.00 0.00 -0.87 0.00 0.00 66.00 64.31 1uf0 h PRO 113 Cb 1.19 0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1uf0 h PRO 113 CO 0.60 0.93 0.00 0.43 -0.23 0.00 0.00 178.00 179.74 1uf0 n SER 114 N -4.01 0.00 0.00 1.44 7.64 -1.26 -2.72 113.62 114.71 1uf0 n SER 114 Ca -0.02 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.86 1uf0 n SER 114 Cb 0.55 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.75 1uf0 n SER 114 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1uf0 n SER 115 N 1.72 0.04 -0.13 6.43 2.88 -1.26 -5.36 113.62 117.94 1uf0 n SER 115 Ca 0.00 0.00 0.15 0.00 -1.33 0.00 0.00 58.87 57.69 1uf0 n SER 115 Cb 0.00 0.00 0.83 0.00 -0.75 0.00 0.00 64.21 64.29 1uf0 n SER 115 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42