#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uf0 h SER 2 N 0.00 0.53 -5.08 1.61 4.64 -2.15 -3.50 113.55 109.60 1uf0 h SER 2 Ca 0.00 -0.93 0.00 0.00 -0.47 0.00 0.00 61.79 60.39 1uf0 h SER 2 Cb 0.00 -0.17 0.00 0.00 -0.31 0.00 0.00 62.40 61.92 1uf0 h SER 2 CO 0.00 1.51 -0.97 -1.20 -0.87 0.00 0.00 176.83 175.31 1uf0 n SER 3 N -3.99 -7.89 0.00 4.97 7.64 -1.26 -5.07 113.62 108.02 1uf0 n SER 3 Ca -0.17 1.40 0.00 0.00 1.01 0.00 0.00 58.87 61.11 1uf0 n SER 3 Cb 0.90 -5.24 0.00 0.00 -1.01 0.00 0.00 64.21 58.86 1uf0 n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1uf0 n GLY 4 N 0.68 3.85 3.22 0.23 0.00 -1.26 -5.17 105.19 106.74 1uf0 n GLY 4 Ca 0.00 -1.93 -0.09 0.00 0.00 0.00 0.00 46.02 44.00 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 -0.10 0.08 -0.37 1.61 0.01 -1.26 -5.13 113.70 108.53 1uf0 s SER 5 Ca 0.00 -0.61 0.04 0.00 1.31 0.00 0.00 55.95 56.69 1uf0 s SER 5 Cb 0.00 0.36 0.16 0.00 0.21 0.00 0.00 66.02 66.75 1uf0 s SER 5 CO 0.00 -0.74 0.43 -0.55 0.41 0.00 0.00 173.24 172.79 1uf0 s SER 6 N -2.85 0.52 0.00 2.44 0.15 -1.26 -5.09 113.70 107.61 1uf0 s SER 6 Ca 0.05 -1.29 0.00 0.00 0.70 0.00 0.00 55.95 55.41 1uf0 s SER 6 Cb 0.04 0.91 0.00 0.00 -1.71 0.00 0.00 66.02 65.26 1uf0 s SER 6 CO -0.11 -0.25 0.00 0.61 1.20 0.00 0.00 173.24 174.69 1uf0 n GLY 7 N 4.40 0.55 3.06 9.45 0.00 -1.26 -4.98 105.19 116.41 1uf0 n GLY 7 Ca 0.10 0.62 -0.22 0.00 0.00 0.00 0.00 46.02 46.52 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 0.00 1.14 0.21 1.61 -0.14 -1.26 -5.15 119.74 116.15 1uf0 s LYS 8 Ca 0.00 -0.42 0.06 0.00 -1.36 0.00 0.00 55.97 54.25 1uf0 s LYS 8 Cb 0.00 -1.06 -0.04 0.00 -1.68 0.00 0.00 37.83 35.06 1uf0 s LYS 8 CO 0.00 0.20 0.16 -1.59 -0.76 0.00 0.00 175.35 173.36 1uf0 s LYS 9 N -0.03 2.90 0.43 1.68 -2.85 -1.26 -5.13 119.74 115.48 1uf0 s LYS 9 Ca -0.00 -0.98 0.05 0.00 -1.00 0.00 0.00 55.97 54.04 1uf0 s LYS 9 Cb -0.08 -2.59 0.01 0.00 -2.06 0.00 0.00 37.83 33.11 1uf0 s LYS 9 CO 0.00 0.44 0.60 0.00 0.10 0.00 0.00 175.35 176.50 1uf0 s ALA 10 N -1.96 4.17 -0.20 0.59 0.00 -1.26 -4.98 121.76 118.12 1uf0 s ALA 10 Ca 0.32 -1.43 -0.29 0.00 0.00 0.00 0.00 51.96 50.56 1uf0 s ALA 10 Cb -0.09 -1.83 -0.02 0.00 0.00 0.00 0.00 23.12 21.18 1uf0 s ALA 10 CO 0.24 -0.33 1.48 0.15 0.00 0.00 0.00 175.76 177.30 1uf0 s LYS 11 N -4.43 3.97 -1.00 0.00 3.01 -0.39 -4.68 119.74 116.21 1uf0 s LYS 11 Ca 0.52 1.66 -0.23 0.00 -1.01 0.00 0.00 55.97 56.90 1uf0 s LYS 11 Cb -0.10 -3.94 0.05 0.00 -1.01 0.00 0.00 37.83 32.84 1uf0 s LYS 11 CO 0.34 -1.07 1.42 0.15 0.51 0.00 0.00 175.35 176.71 1uf0 s LYS 12 N 4.23 3.58 -0.09 1.68 -0.14 -1.26 -0.69 119.74 127.04 1uf0 s LYS 12 Ca 0.65 -1.13 -0.02 0.00 -1.36 0.00 0.00 55.97 54.12 1uf0 s LYS 12 Cb -0.24 -5.29 -0.03 0.00 -1.68 0.00 0.00 37.83 30.59 1uf0 s LYS 12 CO 0.25 -2.18 -0.02 0.14 -0.76 0.00 0.00 175.35 172.78 1uf0 s VAL 13 N 4.87 4.15 0.22 3.17 -7.23 0.39 -1.74 120.40 124.22 1uf0 s VAL 13 Ca 0.45 -0.30 0.08 0.00 -1.81 0.00 0.00 61.98 60.39 1uf0 s VAL 13 Cb -0.01 -2.74 -0.04 0.00 0.56 0.00 0.00 36.38 34.15 1uf0 s VAL 13 CO -0.09 0.59 0.03 -0.60 -0.31 0.00 0.00 175.10 174.72 1uf0 s ARG 14 N -0.70 2.46 -0.06 4.82 3.52 -0.78 -0.71 118.95 127.50 1uf0 s ARG 14 Ca 0.11 -1.21 -0.02 0.00 -0.13 0.00 0.00 55.73 54.47 1uf0 s ARG 14 Cb -0.12 -2.32 0.04 0.00 -1.56 0.00 0.00 34.95 30.99 1uf0 s ARG 14 CO 0.02 0.41 0.11 -0.06 -0.81 0.00 0.00 175.30 174.98 1uf0 s PHE 15 N -2.02 -0.10 0.37 5.12 0.08 0.01 -2.41 117.98 119.04 1uf0 s PHE 15 Ca 0.30 0.41 0.08 0.00 0.12 0.00 0.00 56.93 57.84 1uf0 s PHE 15 Cb -0.08 -0.22 -0.03 0.00 -0.57 0.00 0.00 43.02 42.13 1uf0 s PHE 15 CO 0.20 -0.18 0.31 0.71 -0.10 0.00 0.00 175.22 176.16 1uf0 s TYR 16 N 1.58 2.79 -0.13 0.36 2.02 -0.20 0.37 117.35 124.14 1uf0 s TYR 16 Ca -0.04 -0.40 -0.15 0.00 -0.37 0.00 0.00 57.07 56.11 1uf0 s TYR 16 Cb -0.12 -1.94 -0.05 0.00 -0.40 0.00 0.00 41.96 39.45 1uf0 s TYR 16 CO -0.05 0.07 0.34 0.50 -1.57 0.00 0.00 175.55 174.84 1uf0 s ARG 17 N -4.03 4.21 -0.46 -0.62 3.52 -1.26 -1.63 118.95 118.67 1uf0 s ARG 17 Ca 0.44 0.19 -0.27 0.00 -0.13 0.00 0.00 55.73 55.96 1uf0 s ARG 17 Cb -0.04 -3.40 -0.02 0.00 -1.56 0.00 0.00 34.95 29.93 1uf0 s ARG 17 CO 0.27 0.29 1.83 1.21 -0.81 0.00 0.00 175.30 178.09 1uf0 s ASN 18 N 0.28 5.59 0.00 -2.12 2.47 -1.21 -2.33 114.94 117.62 1uf0 s ASN 18 Ca 0.19 0.86 0.00 0.00 0.42 0.00 0.00 52.86 54.33 1uf0 s ASN 18 Cb -0.14 -2.53 0.00 0.00 -1.45 0.00 0.00 41.25 37.14 1uf0 s ASN 18 CO 0.06 -2.03 0.00 0.61 -3.72 0.00 0.00 177.10 172.02 1uf0 n GLY 19 N 5.55 1.72 2.54 1.21 0.00 -1.26 -4.94 105.19 110.00 1uf0 n GLY 19 Ca 0.22 -0.08 -0.26 0.00 0.00 0.00 0.00 46.02 45.90 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 -2.08 2.65 0.17 1.61 -1.08 -0.98 -4.98 116.67 111.97 1uf0 s ASP 20 Ca 0.00 -1.92 0.03 0.00 -0.52 0.00 0.00 52.55 50.14 1uf0 s ASP 20 Cb 0.00 -0.18 -0.00 0.00 -1.46 0.00 0.00 42.92 41.28 1uf0 s ASP 20 CO 0.00 -0.32 1.38 0.08 0.52 0.00 0.00 175.17 176.83 1uf0 h ARG 21 N 7.23 0.18 -0.59 4.34 0.11 -1.93 -3.22 114.38 120.51 1uf0 h ARG 21 Ca 0.02 -0.20 -0.04 0.00 0.10 0.00 0.00 59.98 59.86 1uf0 h ARG 21 Cb 0.99 0.06 -0.03 0.00 1.11 0.00 0.00 29.97 32.10 1uf0 h ARG 21 CO 0.27 0.94 0.21 1.88 0.10 0.00 0.00 179.97 183.38 1uf0 h TYR 22 N 0.10 0.89 -4.06 4.08 0.05 -1.94 -3.44 116.97 112.65 1uf0 h TYR 22 Ca -0.04 -0.06 -0.55 0.00 0.05 0.00 0.00 58.73 58.12 1uf0 h TYR 22 Cb 1.50 -0.27 0.14 0.00 1.01 0.00 0.00 36.73 39.12 1uf0 h TYR 22 CO 0.03 0.70 0.59 0.12 -1.05 0.00 0.00 178.16 178.56 1uf0 s PHE 23 N -5.35 2.22 -0.36 4.88 5.36 -1.21 -4.92 117.98 118.59 1uf0 s PHE 23 Ca -0.10 1.39 0.07 0.00 -0.96 0.00 0.00 56.93 57.33 1uf0 s PHE 23 Cb 0.16 -3.80 0.61 0.00 -0.34 0.00 0.00 43.02 39.65 1uf0 s PHE 23 CO 0.80 -2.96 1.70 1.63 -1.46 0.00 0.00 175.22 174.93 1uf0 n LYS 24 N -1.22 2.33 -0.52 10.12 5.02 -1.26 -4.97 118.16 127.66 1uf0 n LYS 24 Ca 0.12 -3.08 0.07 0.00 -2.02 0.00 0.00 58.31 53.39 1uf0 n LYS 24 Cb 0.45 -2.03 -0.02 0.00 -0.02 0.00 0.00 35.03 33.42 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 -0.97 -1.13 3.01 0.72 0.00 -1.26 -4.89 105.19 100.66 1uf0 n GLY 25 Ca 0.45 -0.90 -0.17 0.00 0.00 0.00 0.00 46.02 45.39 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 -0.86 0.61 0.03 -0.61 2.07 0.16 -4.93 121.20 117.68 1uf0 s ILE 26 Ca 0.00 -0.38 -0.10 0.00 -1.41 0.00 0.00 60.65 58.76 1uf0 s ILE 26 Cb 0.00 -0.53 -0.05 0.00 0.13 0.00 0.00 42.46 42.01 1uf0 s ILE 26 CO 0.00 0.14 0.35 -0.69 -1.91 0.00 0.00 174.94 172.83 1uf0 s VAL 27 N -0.25 5.17 -0.10 4.00 1.01 -1.26 -0.81 120.40 128.15 1uf0 s VAL 27 Ca 0.02 0.45 -0.10 0.00 0.00 0.00 0.00 61.98 62.36 1uf0 s VAL 27 Cb -0.03 -3.62 0.03 0.00 0.00 0.00 0.00 36.38 32.75 1uf0 s VAL 27 CO -0.00 0.40 0.28 -0.31 0.00 0.00 0.00 175.10 175.47 1uf0 s TYR 28 N -1.27 -0.30 -0.41 5.22 2.02 0.12 -5.00 117.35 117.72 1uf0 s TYR 28 Ca 0.28 0.74 -0.04 0.00 -0.37 0.00 0.00 57.07 57.68 1uf0 s TYR 28 Cb -0.14 0.10 0.11 0.00 -0.40 0.00 0.00 41.96 41.63 1uf0 s TYR 28 CO 0.15 -0.15 0.21 0.00 -1.57 0.00 0.00 175.55 174.20 1uf0 s ALA 29 N 0.14 3.17 -0.55 3.71 0.00 -1.25 -0.46 121.76 126.51 1uf0 s ALA 29 Ca -0.00 -2.49 -0.27 0.00 0.00 0.00 0.00 51.96 49.19 1uf0 s ALA 29 Cb -0.02 -2.44 -0.01 0.00 0.00 0.00 0.00 23.12 20.65 1uf0 s ALA 29 CO 0.00 -1.78 1.73 0.42 0.00 0.00 0.00 175.76 176.13 1uf0 s ILE 30 N 1.17 3.48 0.37 0.00 -1.09 0.13 -4.69 121.20 120.58 1uf0 s ILE 30 Ca 0.07 0.37 0.09 0.00 -2.23 0.00 0.00 60.65 58.95 1uf0 s ILE 30 Cb -0.23 -4.02 -0.07 0.00 -1.58 0.00 0.00 42.46 36.56 1uf0 s ILE 30 CO -0.04 -0.89 -0.06 -0.44 -1.23 0.00 0.00 174.94 172.28 1uf0 s SER 31 N 6.77 3.77 0.41 3.58 0.01 -1.26 -1.26 113.70 125.72 1uf0 s SER 31 Ca 0.65 -1.25 0.18 0.00 1.31 0.00 0.00 55.95 56.84 1uf0 s SER 31 Cb -0.14 -0.36 0.90 0.00 0.21 0.00 0.00 66.02 66.63 1uf0 s SER 31 CO 0.24 -0.28 1.87 1.55 0.41 0.00 0.00 173.24 177.03 1uf0 h PRO 32 N 1.94 0.00 -0.62 12.44 0.13 -1.93 -2.81 132.00 141.15 1uf0 h PRO 32 Ca -0.43 0.00 -0.34 0.00 -0.87 0.00 0.00 66.00 64.36 1uf0 h PRO 32 Cb 1.25 0.00 -0.20 0.00 0.13 0.00 0.00 31.00 32.18 1uf0 h PRO 32 CO 0.74 0.30 0.18 -0.40 -0.23 0.00 0.00 178.00 178.59 1uf0 n ASP 33 N -3.83 3.33 0.05 1.44 5.68 -1.26 -4.64 116.55 117.32 1uf0 n ASP 33 Ca -0.01 -3.74 0.00 0.00 -0.50 0.00 0.00 54.79 50.54 1uf0 n ASP 33 Cb 0.39 -0.71 0.00 0.00 -1.14 0.00 0.00 41.12 39.65 1uf0 n ASP 33 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 1uf0 n ARG 34 N -1.10 0.00 -4.88 0.11 3.00 -1.07 -5.08 116.66 107.64 1uf0 n ARG 34 Ca 0.44 0.00 -0.33 0.00 -0.01 0.00 0.00 57.85 57.96 1uf0 n ARG 34 Cb 1.21 -0.24 -0.14 0.00 0.00 0.00 0.00 32.46 33.29 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 -1.66 2.73 -0.06 -1.55 0.40 -1.17 -4.99 117.98 111.68 1uf0 s PHE 35 Ca 0.00 -0.56 -0.03 0.00 -0.60 0.00 0.00 56.93 55.74 1uf0 s PHE 35 Cb 0.00 -1.76 -0.01 0.00 0.51 0.00 0.00 43.02 41.76 1uf0 s PHE 35 CO 0.00 -0.13 -0.05 -0.09 0.70 0.00 0.00 175.22 175.65 1uf0 h ARG 36 N 6.31 0.00 0.00 0.44 9.65 -1.89 -3.45 114.38 125.44 1uf0 h ARG 36 Ca -0.31 0.00 -0.43 0.00 -1.10 0.00 0.00 59.98 58.14 1uf0 h ARG 36 Cb 1.20 0.00 -0.09 0.00 -1.39 0.00 0.00 29.97 29.69 1uf0 h ARG 36 CO 0.53 0.00 -0.35 -1.13 2.80 0.00 0.00 179.97 181.82 1uf0 n SER 37 N -3.28 1.65 -0.09 -3.80 3.41 -1.26 -5.02 113.62 105.23 1uf0 n SER 37 Ca -0.02 -2.62 0.00 0.00 -0.26 0.00 0.00 58.87 55.97 1uf0 n SER 37 Cb 0.08 0.63 0.29 0.00 -0.26 0.00 0.00 64.21 64.95 1uf0 n SER 37 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 175.04 175.03 1uf0 h PHE 38 N 1.42 0.73 -0.14 7.33 3.57 -1.96 -1.83 116.94 126.05 1uf0 h PHE 38 Ca -0.26 -0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.22 1uf0 h PHE 38 Cb 0.91 -0.23 -0.01 0.00 2.79 0.00 0.00 35.95 39.41 1uf0 h PHE 38 CO 0.00 0.55 0.07 0.93 -2.23 0.00 0.00 178.31 177.63 1uf0 h GLU 39 N 0.74 0.19 -0.03 1.11 4.39 -1.97 0.50 114.58 119.51 1uf0 h GLU 39 Ca 0.18 -0.02 -0.16 0.00 0.34 0.00 0.00 59.36 59.70 1uf0 h GLU 39 Cb 0.10 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 28.69 1uf0 h GLU 39 CO -0.02 0.15 -0.72 0.00 -1.16 0.00 0.00 179.01 177.26 1uf0 h ALA 40 N 1.88 0.73 0.04 3.43 0.00 -1.73 -2.74 119.26 120.87 1uf0 h ALA 40 Ca 0.05 -0.63 -0.23 0.00 0.00 0.00 0.00 54.91 54.10 1uf0 h ALA 40 Cb 0.02 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 1uf0 h ALA 40 CO -0.01 0.83 -1.09 1.25 0.00 0.00 0.00 179.25 180.22 1uf0 h LEU 41 N 0.12 0.14 -0.48 0.00 5.85 -1.12 -3.24 115.31 116.57 1uf0 h LEU 41 Ca -0.02 -0.15 -0.14 0.00 0.84 0.00 0.00 57.88 58.42 1uf0 h LEU 41 Cb 1.28 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 42.25 1uf0 h LEU 41 CO 0.11 1.12 -0.23 -0.07 -0.34 0.00 0.00 178.44 179.03 1uf0 h LEU 42 N 0.02 1.03 -0.26 2.25 3.38 -0.93 -1.73 115.31 119.08 1uf0 h LEU 42 Ca -0.06 -0.40 0.00 0.00 0.09 0.00 0.00 57.88 57.52 1uf0 h LEU 42 Cb 1.84 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 42.29 1uf0 h LEU 42 CO 0.15 1.20 0.17 0.00 0.09 0.00 0.00 178.44 180.06 1uf0 h ALA 43 N 0.86 0.34 -0.48 1.53 0.00 -1.57 0.22 119.26 120.15 1uf0 h ALA 43 Ca 0.11 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.90 1uf0 h ALA 43 Cb 0.81 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.48 1uf0 h ALA 43 CO 0.07 -0.19 -0.10 -0.44 0.00 0.00 0.00 179.25 178.59 1uf0 h ASP 44 N 0.36 0.87 0.34 0.00 3.32 -1.57 0.43 116.42 120.16 1uf0 h ASP 44 Ca 0.10 -0.27 -0.11 0.00 0.02 0.00 0.00 57.03 56.77 1uf0 h ASP 44 Cb -0.04 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.26 1uf0 h ASP 44 CO -0.02 0.99 -0.48 -0.07 -1.72 0.00 0.00 179.24 177.94 1uf0 h LEU 45 N 0.79 0.17 0.01 1.55 3.38 -0.98 -2.39 115.31 117.84 1uf0 h LEU 45 Ca 0.13 -0.08 -0.22 0.00 0.09 0.00 0.00 57.88 57.80 1uf0 h LEU 45 Cb 0.61 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 41.28 1uf0 h LEU 45 CO 0.04 0.62 -1.08 0.74 0.09 0.00 0.00 178.44 178.85 1uf0 h THR 46 N 0.13 1.62 -0.03 0.22 2.02 -0.30 -0.91 112.91 115.67 1uf0 h THR 46 Ca 0.01 -3.34 -0.13 0.00 0.77 0.00 0.00 66.41 63.71 1uf0 h THR 46 Cb 0.89 2.81 -0.02 0.00 -1.74 0.00 0.00 68.15 70.09 1uf0 h THR 46 CO 0.07 0.93 -0.60 -0.09 0.37 0.00 0.00 175.52 176.20 1uf0 h ARG 47 N 0.00 0.09 0.00 6.66 2.43 -0.77 -3.34 114.38 119.45 1uf0 h ARG 47 Ca -0.04 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.07 1uf0 h ARG 47 Cb 1.80 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 31.36 1uf0 h ARG 47 CO 0.13 0.66 0.00 0.25 -1.51 0.00 0.00 179.97 179.50 1uf0 n THR 48 N -3.85 0.00 -1.03 0.20 -2.24 -0.91 -4.71 114.28 101.74 1uf0 n THR 48 Ca -0.02 0.21 -0.37 0.00 -2.27 0.00 0.00 64.05 61.61 1uf0 n THR 48 Cb 0.60 -1.20 -0.04 0.00 -2.10 0.00 0.00 70.33 67.59 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 -1.94 4.37 -3.17 3.22 4.77 -0.35 -4.60 117.00 119.31 1uf0 n LEU 49 Ca 0.00 -2.91 0.05 0.00 -0.03 0.00 0.00 56.01 53.12 1uf0 n LEU 49 Cb 0.00 -1.12 -0.03 0.00 -2.33 0.00 0.00 43.42 39.95 1uf0 n LEU 49 CO 0.00 -0.05 0.83 -0.55 -1.33 0.00 0.00 177.39 176.29 1uf0 s SER 50 N 4.49 -0.08 0.00 -1.43 0.15 -1.25 -4.58 113.70 110.99 1uf0 s SER 50 Ca 0.51 0.08 0.00 0.00 0.70 0.00 0.00 55.95 57.24 1uf0 s SER 50 Cb 0.13 1.08 0.00 0.00 -1.71 0.00 0.00 66.02 65.52 1uf0 s SER 50 CO 0.07 -0.02 0.00 0.47 1.20 0.00 0.00 173.24 174.96 1uf0 n ASP 51 N 5.05 0.00 0.00 5.45 8.00 -1.24 -4.83 116.55 128.99 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 -1.54 0.00 0.01 -2.24 5.15 -1.26 -4.78 115.26 110.60 1uf0 n ASN 52 Ca 0.00 0.00 -0.18 0.00 -0.60 0.00 0.00 54.58 53.80 1uf0 n ASN 52 Cb 0.00 0.00 -0.11 0.00 -0.53 0.00 0.00 39.78 39.14 1uf0 n ASN 52 CO 0.00 0.00 0.00 0.58 1.40 0.00 0.00 177.26 179.24 1uf0 h VAL 53 N 0.00 1.39 0.00 3.44 2.07 -1.98 -3.31 116.25 117.86 1uf0 h VAL 53 Ca 0.00 -2.12 0.00 0.00 0.82 0.00 0.00 66.70 65.40 1uf0 h VAL 53 Cb 0.00 2.54 0.00 0.00 -1.52 0.00 0.00 31.29 32.31 1uf0 h VAL 53 CO 0.00 0.63 0.00 0.59 0.02 0.00 0.00 177.57 178.81 1uf0 n ASN 54 N -4.13 0.00 -4.04 0.57 4.13 -1.26 -4.79 115.26 105.75 1uf0 n ASN 54 Ca -0.10 0.19 -0.34 0.00 1.68 0.00 0.00 54.58 56.01 1uf0 n ASN 54 Cb 0.73 -0.24 -0.10 0.00 -1.54 0.00 0.00 39.78 38.62 1uf0 n ASN 54 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 1uf0 s LEU 55 N -2.80 5.00 0.05 3.41 1.02 -1.26 -4.94 118.68 119.17 1uf0 s LEU 55 Ca 0.00 -3.17 -0.19 0.00 0.02 0.00 0.00 54.13 50.78 1uf0 s LEU 55 Cb 0.00 -1.78 -0.14 0.00 0.02 0.00 0.00 46.19 44.29 1uf0 s LEU 55 CO 0.00 -0.27 1.34 1.55 0.02 0.00 0.00 176.35 179.00 1uf0 h PRO 56 N 6.51 0.42 0.17 1.29 0.13 -1.86 -3.28 132.00 135.38 1uf0 h PRO 56 Ca 0.02 -0.23 -0.01 0.00 -0.87 0.00 0.00 66.00 64.91 1uf0 h PRO 56 Cb 0.89 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.03 1uf0 h PRO 56 CO 0.73 0.80 -0.08 1.96 -0.23 0.00 0.00 178.00 181.18 1uf0 h GLN 57 N 0.06 -0.22 0.00 0.86 1.08 -1.92 -3.46 115.11 111.51 1uf0 h GLN 57 Ca 0.02 0.02 0.00 0.00 -1.45 0.00 0.00 58.65 57.24 1uf0 h GLN 57 Cb 0.73 0.05 0.00 0.00 -0.05 0.00 0.00 27.48 28.21 1uf0 h GLN 57 CO 0.05 0.03 0.00 0.41 -0.95 0.00 0.00 178.83 178.37 1uf0 n GLY 58 N -0.55 0.40 2.98 3.46 0.00 -1.25 -5.07 105.19 105.16 1uf0 n GLY 58 Ca -0.09 -1.30 -0.30 0.00 0.00 0.00 0.00 46.02 44.34 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 -4.00 1.47 0.10 1.61 0.11 -1.26 -4.30 120.40 114.12 1uf0 s VAL 59 Ca 0.00 -0.68 0.00 0.00 -2.93 0.00 0.00 61.98 58.37 1uf0 s VAL 59 Cb 0.00 -1.46 0.00 0.00 -1.53 0.00 0.00 36.38 33.39 1uf0 s VAL 59 CO 0.00 0.34 0.00 0.54 -3.33 0.00 0.00 175.10 172.65 1uf0 n ARG 60 N 4.79 0.00 -3.64 1.54 1.74 -1.21 -4.95 116.66 114.93 1uf0 n ARG 60 Ca -0.15 0.00 -0.39 0.00 -0.77 0.00 0.00 57.85 56.53 1uf0 n ARG 60 Cb 0.49 -0.36 -0.12 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 -2.00 4.43 -0.85 0.55 2.01 -0.80 -4.97 115.64 114.01 1uf0 s THR 61 Ca 0.00 -0.79 -0.12 0.00 0.31 0.00 0.00 61.69 61.08 1uf0 s THR 61 Cb 0.00 -3.42 0.22 0.00 0.01 0.00 0.00 72.50 69.31 1uf0 s THR 61 CO 0.00 -0.14 0.78 -0.63 -0.69 0.00 0.00 174.62 173.94 1uf0 s ILE 62 N 1.54 5.48 0.83 1.82 1.01 -1.26 -1.36 121.20 129.27 1uf0 s ILE 62 Ca 0.02 -2.66 -0.11 0.00 0.00 0.00 0.00 60.65 57.89 1uf0 s ILE 62 Cb -0.19 -4.38 0.09 0.00 0.01 0.00 0.00 42.46 37.99 1uf0 s ILE 62 CO 0.06 -1.04 1.09 -0.31 0.00 0.00 0.00 174.94 174.74 1uf0 s TYR 63 N -0.07 2.58 0.67 3.97 2.02 -0.38 -1.06 117.35 125.09 1uf0 s TYR 63 Ca 0.20 1.26 -0.11 0.00 -0.37 0.00 0.00 57.07 58.05 1uf0 s TYR 63 Cb -0.11 -3.12 0.17 0.00 -0.40 0.00 0.00 41.96 38.50 1uf0 s TYR 63 CO -0.08 -2.02 0.61 0.25 -1.57 0.00 0.00 175.55 172.74 1uf0 n THR 64 N -3.63 0.00 0.08 -0.71 -2.24 -0.15 0.99 114.28 108.61 1uf0 n THR 64 Ca 0.07 -0.28 -0.07 0.00 -2.27 0.00 0.00 64.05 61.50 1uf0 n THR 64 Cb 0.55 -1.16 0.06 0.00 -2.10 0.00 0.00 70.33 67.68 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 -2.14 1.42 0.09 2.28 6.09 -1.86 -3.24 117.51 120.15 1uf0 h ILE 65 Ca -0.23 -2.24 -0.19 0.00 -1.37 0.00 0.00 64.86 60.83 1uf0 h ILE 65 Cb 0.69 2.19 0.00 0.00 0.47 0.00 0.00 36.82 40.17 1uf0 h ILE 65 CO 0.15 0.66 -0.95 0.44 -3.07 0.00 0.00 178.15 175.38 1uf0 h ASP 66 N 0.17 0.29 0.00 2.19 5.19 -1.92 -3.47 116.42 118.87 1uf0 h ASP 66 Ca -0.02 -0.87 0.00 0.00 -0.62 0.00 0.00 57.03 55.52 1uf0 h ASP 66 Cb 1.29 -0.10 0.00 0.00 0.18 0.00 0.00 39.33 40.70 1uf0 h ASP 66 CO 0.11 1.42 0.00 0.61 -3.12 0.00 0.00 179.24 178.27 1uf0 n GLY 67 N 1.66 0.98 0.87 2.75 0.00 -1.25 -4.97 105.19 105.24 1uf0 n GLY 67 Ca -0.20 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.79 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 0.91 -4.95 0.99 4.77 -1.26 -4.97 117.00 112.49 1uf0 n LEU 68 Ca 0.00 0.13 -0.25 0.00 -0.03 0.00 0.00 56.01 55.86 1uf0 n LEU 68 Cb 0.00 -0.31 -0.03 0.00 -2.33 0.00 0.00 43.42 40.76 1uf0 n LEU 68 CO 0.00 -0.38 -0.02 -0.75 -1.33 0.00 0.00 177.39 174.91 1uf0 s LYS 69 N -2.13 3.46 0.01 3.23 2.20 -1.26 -4.97 119.74 120.29 1uf0 s LYS 69 Ca -0.06 -0.55 0.04 0.00 -0.36 0.00 0.00 55.97 55.04 1uf0 s LYS 69 Cb 0.01 -2.88 -0.02 0.00 -1.51 0.00 0.00 37.83 33.44 1uf0 s LYS 69 CO 0.08 0.43 -0.14 -1.59 -0.36 0.00 0.00 175.35 173.77 1uf0 s LYS 70 N -3.57 1.01 -0.01 4.03 -2.85 -1.26 -0.98 119.74 116.10 1uf0 s LYS 70 Ca 0.36 -0.60 -0.23 0.00 -1.00 0.00 0.00 55.97 54.50 1uf0 s LYS 70 Cb -0.10 -0.99 -0.05 0.00 -2.06 0.00 0.00 37.83 34.63 1uf0 s LYS 70 CO 0.29 0.26 0.69 0.42 0.10 0.00 0.00 175.35 177.11 1uf0 s ILE 71 N -0.55 4.91 0.00 3.79 -1.09 -0.22 -4.93 121.20 123.11 1uf0 s ILE 71 Ca 0.04 1.43 0.00 0.00 -2.23 0.00 0.00 60.65 59.89 1uf0 s ILE 71 Cb -0.06 -4.03 0.00 0.00 -1.58 0.00 0.00 42.46 36.79 1uf0 s ILE 71 CO 0.00 0.34 0.00 -0.24 -1.23 0.00 0.00 174.94 173.81 1uf0 n SER 72 N 3.16 1.56 -3.80 3.58 2.88 -1.26 -3.98 113.62 115.76 1uf0 n SER 72 Ca -0.03 0.00 -0.21 0.00 -1.33 0.00 0.00 58.87 57.30 1uf0 n SER 72 Cb 0.51 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.94 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 -2.50 2.75 0.00 -3.46 7.64 -1.26 -4.95 113.62 111.83 1uf0 n SER 73 Ca 0.00 -2.42 0.12 0.00 1.01 0.00 0.00 58.87 57.58 1uf0 n SER 73 Cb 0.35 0.17 0.31 0.00 -1.01 0.00 0.00 64.21 64.04 1uf0 n SER 73 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1uf0 n LEU 74 N 0.00 0.42 -1.76 -3.43 4.77 -1.26 -3.79 117.00 111.94 1uf0 n LEU 74 Ca -0.11 0.09 -0.05 0.00 -0.03 0.00 0.00 56.01 55.91 1uf0 n LEU 74 Cb 0.42 -0.29 0.24 0.00 -2.33 0.00 0.00 43.42 41.47 1uf0 n LEU 74 CO 0.23 0.10 0.91 0.47 -1.33 0.00 0.00 177.39 177.77 1uf0 n ASP 75 N -1.51 4.24 -0.02 -1.43 9.92 -1.26 -4.10 116.55 122.40 1uf0 n ASP 75 Ca 0.06 -2.97 -0.02 0.00 -0.53 0.00 0.00 54.79 51.33 1uf0 n ASP 75 Cb 0.34 -0.70 -0.02 0.00 -0.64 0.00 0.00 41.12 40.10 1uf0 n ASP 75 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1uf0 n GLN 76 N -0.07 1.25 -1.56 -1.24 1.13 -1.25 -5.05 117.38 110.60 1uf0 n GLN 76 Ca 0.33 0.01 -0.35 0.00 -1.94 0.00 0.00 57.00 55.06 1uf0 n GLN 76 Cb 1.19 -1.07 0.08 0.00 0.11 0.00 0.00 30.24 30.55 1uf0 n GLN 76 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 1uf0 s LEU 77 N -4.86 3.39 0.17 1.08 1.43 -1.26 -5.05 118.68 113.58 1uf0 s LEU 77 Ca -0.03 2.36 0.07 0.00 -1.03 0.00 0.00 54.13 55.49 1uf0 s LEU 77 Cb 0.01 -4.59 -0.04 0.00 0.03 0.00 0.00 46.19 41.60 1uf0 s LEU 77 CO 0.09 -2.10 -0.14 -0.69 0.23 0.00 0.00 176.35 173.74 1uf0 s VAL 78 N -1.91 1.54 -0.20 -1.59 1.01 -1.26 -5.10 120.40 112.90 1uf0 s VAL 78 Ca 0.75 -2.05 -0.29 0.00 0.00 0.00 0.00 61.98 60.39 1uf0 s VAL 78 Cb -0.29 -1.87 -0.02 0.00 0.00 0.00 0.00 36.38 34.19 1uf0 s VAL 78 CO 0.43 -0.56 1.44 -0.70 0.00 0.00 0.00 175.10 175.71 1uf0 s GLU 79 N -3.37 4.02 0.00 2.72 2.12 -1.26 -3.86 118.70 119.07 1uf0 s GLU 79 Ca 0.18 1.65 0.00 0.00 0.36 0.00 0.00 54.97 57.15 1uf0 s GLU 79 Cb -0.01 -3.91 0.00 0.00 0.26 0.00 0.00 34.13 30.47 1uf0 s GLU 79 CO 0.05 -1.01 0.00 0.41 -0.54 0.00 0.00 175.26 174.17 1uf0 n GLY 80 N 4.18 0.62 3.48 -1.50 0.00 -0.71 -4.91 105.19 106.35 1uf0 n GLY 80 Ca 0.16 -0.42 -0.09 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.69 1.39 0.02 1.61 0.41 -1.23 -5.08 118.70 113.13 1uf0 s GLU 81 Ca 0.00 -1.22 0.03 0.00 -0.41 0.00 0.00 54.97 53.38 1uf0 s GLU 81 Cb 0.00 0.43 -0.01 0.00 -1.78 0.00 0.00 34.13 32.77 1uf0 s GLU 81 CO 0.00 -0.55 -0.10 -1.12 -0.49 0.00 0.00 175.26 173.00 1uf0 s SER 82 N -3.00 1.19 0.03 -0.19 0.01 -1.26 -1.87 113.70 108.61 1uf0 s SER 82 Ca 0.21 -0.32 -0.03 0.00 1.31 0.00 0.00 55.95 57.11 1uf0 s SER 82 Cb 0.01 -0.08 -0.02 0.00 0.21 0.00 0.00 66.02 66.14 1uf0 s SER 82 CO 0.05 0.03 0.04 -0.31 0.41 0.00 0.00 173.24 173.46 1uf0 s TYR 83 N -0.62 0.26 -0.12 2.43 1.51 -1.01 -2.98 117.35 116.81 1uf0 s TYR 83 Ca 0.00 -0.59 -0.06 0.00 -1.01 0.00 0.00 57.07 55.41 1uf0 s TYR 83 Cb -0.06 -0.19 -0.04 0.00 -0.11 0.00 0.00 41.96 41.56 1uf0 s TYR 83 CO 0.00 -0.31 0.12 0.08 -1.11 0.00 0.00 175.55 174.33 1uf0 s VAL 84 N -2.43 5.33 -0.22 0.71 1.01 0.28 -1.03 120.40 124.05 1uf0 s VAL 84 Ca -0.07 0.14 -0.18 0.00 0.00 0.00 0.00 61.98 61.88 1uf0 s VAL 84 Cb -0.02 -3.32 -0.03 0.00 0.00 0.00 0.00 36.38 33.01 1uf0 s VAL 84 CO -0.04 0.61 0.50 0.00 0.00 0.00 0.00 175.10 176.17 1uf0 s GLY 86 N 1.28 0.58 0.01 0.00 0.00 -0.46 -3.29 107.32 105.43 1uf0 s GLY 86 Ca 0.22 -0.73 -0.01 0.00 0.00 0.00 0.00 44.72 44.21 1uf0 s GLY 86 CO 0.09 -0.74 -0.02 -1.26 0.00 0.00 0.00 173.10 171.17 1uf0 n SER 87 N 1.76 0.29 -1.54 1.64 2.88 -1.26 -1.90 113.62 115.49 1uf0 n SER 87 Ca -0.20 0.04 0.04 0.00 -1.33 0.00 0.00 58.87 57.42 1uf0 n SER 87 Cb 0.55 -0.19 0.03 0.00 -0.75 0.00 0.00 64.21 63.85 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 -2.77 0.14 -4.39 2.46 -6.64 -1.26 -4.75 119.36 102.14 1uf0 n ILE 88 Ca -0.01 -1.17 -0.28 0.00 -1.77 0.00 0.00 62.75 59.52 1uf0 n ILE 88 Cb 0.03 0.97 -0.13 0.00 -1.44 0.00 0.00 39.64 39.07 1uf0 n ILE 88 CO 0.00 0.00 0.00 -1.83 -1.77 0.00 0.00 176.55 172.95 1uf0 s GLU 89 N -0.30 1.41 0.48 6.28 -1.05 -1.26 -5.13 118.70 119.13 1uf0 s GLU 89 Ca 0.34 -1.37 -0.23 0.00 -0.15 0.00 0.00 54.97 53.56 1uf0 s GLU 89 Cb 0.39 -1.85 -0.07 0.00 -0.44 0.00 0.00 34.13 32.15 1uf0 s GLU 89 CO -0.16 0.43 1.19 -1.25 0.95 0.00 0.00 175.26 176.42 1uf0 s PRO 90 N -2.18 3.65 -0.02 -4.83 0.04 -1.26 -4.92 135.00 125.48 1uf0 s PRO 90 Ca 0.15 1.84 -0.30 0.00 0.04 0.00 0.00 61.00 62.73 1uf0 s PRO 90 Cb -0.10 -2.37 -0.08 0.00 0.04 0.00 0.00 34.50 31.99 1uf0 s PRO 90 CO 0.07 -0.66 2.03 0.34 0.04 0.00 0.00 177.00 178.82 1uf0 n PHE 91 N -0.60 2.39 -3.68 0.56 -0.00 -1.26 -4.96 117.46 109.92 1uf0 n PHE 91 Ca 0.08 -0.33 -0.36 0.00 -0.00 0.00 0.00 57.45 56.84 1uf0 n PHE 91 Cb 0.48 -2.79 -0.09 0.00 -0.00 0.00 0.00 39.48 37.07 1uf0 n PHE 91 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 176.76 176.91 1uf0 s LYS 92 N 4.89 4.08 -0.61 -4.13 1.02 -1.26 -5.04 119.74 118.68 1uf0 s LYS 92 Ca 0.92 -0.27 -0.28 0.00 0.02 0.00 0.00 55.97 56.36 1uf0 s LYS 92 Cb -0.41 -3.51 0.03 0.00 -0.52 0.00 0.00 37.83 33.41 1uf0 s LYS 92 CO 0.41 0.09 1.21 0.21 -0.92 0.00 0.00 175.35 176.35 1uf0 s LYS 93 N 0.96 3.45 0.05 1.68 2.36 -1.26 -4.81 119.74 122.17 1uf0 s LYS 93 Ca 0.07 0.15 0.03 0.00 -2.55 0.00 0.00 55.97 53.68 1uf0 s LYS 93 Cb -0.13 -4.05 -0.02 0.00 -1.05 0.00 0.00 37.83 32.58 1uf0 s LYS 93 CO 0.04 -1.77 -0.10 -0.51 1.55 0.00 0.00 175.35 174.56 1uf0 s LEU 94 N 5.10 2.24 -0.88 5.43 1.43 -1.26 -5.10 118.68 125.65 1uf0 s LEU 94 Ca 0.41 -0.53 -0.19 0.00 -1.03 0.00 0.00 54.13 52.79 1uf0 s LEU 94 Cb -0.08 -0.29 0.12 0.00 0.03 0.00 0.00 46.19 45.98 1uf0 s LEU 94 CO 0.23 -0.14 1.08 -1.61 0.23 0.00 0.00 176.35 176.15 1uf0 s GLU 95 N -1.50 3.51 -0.10 1.70 8.01 -1.26 -4.83 118.70 124.22 1uf0 s GLU 95 Ca -0.06 -1.63 -0.23 0.00 0.01 0.00 0.00 54.97 53.06 1uf0 s GLU 95 Cb -0.09 -4.79 -0.28 0.00 -4.31 0.00 0.00 34.13 24.66 1uf0 s GLU 95 CO 0.01 -1.76 0.72 1.88 0.01 0.00 0.00 175.26 176.11 1uf0 h TYR 96 N 8.93 0.30 -0.02 1.61 -1.99 -1.94 -3.32 116.97 120.55 1uf0 h TYR 96 Ca 0.08 -0.22 0.01 0.00 2.00 0.00 0.00 58.73 60.60 1uf0 h TYR 96 Cb 1.03 -0.01 -0.00 0.00 2.00 0.00 0.00 36.73 39.75 1uf0 h TYR 96 CO 1.12 1.28 0.02 1.79 -0.00 0.00 0.00 178.16 182.37 1uf0 h THR 97 N -0.62 0.66 -0.16 -2.88 1.35 -1.96 -1.31 112.91 108.00 1uf0 h THR 97 Ca -0.15 0.00 0.05 0.00 -0.55 0.00 0.00 66.41 65.75 1uf0 h THR 97 Cb 1.43 0.98 -0.01 0.00 -1.73 0.00 0.00 68.15 68.83 1uf0 h THR 97 CO 0.05 0.00 0.12 0.50 -0.25 0.00 0.00 175.52 175.93 1uf0 h LYS 98 N 0.00 0.00 -0.82 4.72 1.63 -1.96 0.76 116.57 120.89 1uf0 h LYS 98 Ca 0.01 0.00 -0.47 0.00 -0.85 0.00 0.00 60.65 59.34 1uf0 h LYS 98 Cb 0.05 0.00 -0.26 0.00 -0.60 0.00 0.00 32.23 31.42 1uf0 h LYS 98 CO -0.00 0.00 0.43 0.09 -3.45 0.00 0.00 179.45 176.52 1uf0 n ASN 99 N -4.42 4.32 0.00 4.20 3.02 -0.49 -4.50 115.26 117.39 1uf0 n ASN 99 Ca 0.01 -3.71 0.00 0.00 -0.03 0.00 0.00 54.58 50.85 1uf0 n ASN 99 Cb 0.24 -0.79 0.00 0.00 -0.61 0.00 0.00 39.78 38.63 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 -1.07 0.00 -0.97 2.41 0.31 -0.28 -4.92 118.33 113.81 1uf0 n VAL 100 Ca 0.53 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.86 1uf0 n VAL 100 Cb 1.26 -0.08 0.00 0.00 -0.91 0.00 0.00 33.84 34.11 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 -1.95 -5.74 -4.54 4.52 2.85 0.25 -4.67 115.26 105.98 1uf0 n ASN 101 Ca 0.00 0.73 -0.35 0.00 -0.11 0.00 0.00 54.58 54.85 1uf0 n ASN 101 Cb 0.00 -2.34 -0.06 0.00 1.24 0.00 0.00 39.78 38.62 1uf0 n ASN 101 CO 0.00 0.00 0.00 -2.65 -2.11 0.00 0.00 177.26 172.50 1uf0 n PRO 102 N -0.46 0.75 -2.40 1.20 -0.02 -1.26 -4.53 135.00 128.29 1uf0 n PRO 102 Ca 0.00 -0.07 -0.03 0.00 -2.02 0.00 0.00 63.50 61.38 1uf0 n PRO 102 Cb 0.00 -2.99 -0.00 0.00 -0.02 0.00 0.00 33.50 30.49 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 14.77 -0.92 -0.01 2.55 4.05 -1.26 -5.02 115.26 129.42 1uf0 n ASN 103 Ca 0.45 -1.55 -0.02 0.00 0.45 0.00 0.00 54.58 53.91 1uf0 n ASN 103 Cb 0.42 0.76 -0.01 0.00 1.23 0.00 0.00 39.78 42.18 1uf0 n ASN 103 CO 0.00 0.00 0.00 -2.67 -3.05 0.00 0.00 177.26 171.54 1uf0 n TRP 104 N -0.46 0.00 -1.26 1.20 4.27 -1.26 -4.70 117.44 115.24 1uf0 n TRP 104 Ca -0.20 0.00 -0.25 0.00 -3.89 0.00 0.00 57.50 53.16 1uf0 n TRP 104 Cb 0.63 -0.09 0.17 0.00 -1.36 0.00 0.00 31.31 30.66 1uf0 n TRP 104 CO 0.00 0.00 0.00 0.45 -2.29 0.00 0.00 177.69 175.85 1uf0 n SER 105 N -2.63 4.19 -0.10 -0.67 2.88 -1.26 -4.43 113.62 111.60 1uf0 n SER 105 Ca -0.04 -3.64 -0.19 0.00 -1.33 0.00 0.00 58.87 53.67 1uf0 n SER 105 Cb 0.54 -0.85 -0.06 0.00 -0.75 0.00 0.00 64.21 63.09 1uf0 n SER 105 CO 0.00 0.00 0.00 0.52 -1.23 0.00 0.00 175.04 174.33 1uf0 n VAL 106 N -1.12 1.40 -1.45 2.46 0.31 -1.26 -4.69 118.33 113.99 1uf0 n VAL 106 Ca 0.59 -0.13 -0.40 0.00 -0.01 0.00 0.00 64.34 64.39 1uf0 n VAL 106 Cb 1.52 -2.01 -0.02 0.00 -0.91 0.00 0.00 33.84 32.43 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 -4.20 4.56 -2.49 4.52 3.02 -1.26 -4.59 115.26 114.82 1uf0 n ASN 107 Ca -0.34 -2.71 -0.25 0.00 -0.03 0.00 0.00 54.58 51.25 1uf0 n ASN 107 Cb 0.69 -1.48 0.00 0.00 -0.61 0.00 0.00 39.78 38.38 1uf0 n ASN 107 CO 0.00 0.00 0.00 0.55 -2.62 0.00 0.00 177.26 175.19 1uf0 n VAL 108 N 4.94 2.21 -3.37 2.41 3.14 -1.26 -5.03 118.33 121.38 1uf0 n VAL 108 Ca 0.56 -4.69 -0.41 0.00 -2.96 0.00 0.00 64.34 56.83 1uf0 n VAL 108 Cb 0.34 -1.03 -0.09 0.00 -1.06 0.00 0.00 33.84 32.00 1uf0 n VAL 108 CO 0.00 0.00 0.00 -0.54 -6.46 0.00 0.00 176.83 169.83 1uf0 s LYS 109 N -3.49 3.47 0.04 1.45 1.02 -1.26 -5.06 119.74 115.90 1uf0 s LYS 109 Ca 0.46 -0.46 0.06 0.00 0.02 0.00 0.00 55.97 56.05 1uf0 s LYS 109 Cb 0.41 -3.84 -0.03 0.00 -0.52 0.00 0.00 37.83 33.85 1uf0 s LYS 109 CO -0.16 -0.60 -0.16 0.99 -0.92 0.00 0.00 175.35 174.50 1uf0 s THR 110 N 2.08 2.98 -0.16 2.17 2.01 -1.26 -5.05 115.64 118.41 1uf0 s THR 110 Ca 0.13 -1.14 -0.13 0.00 0.31 0.00 0.00 61.69 60.85 1uf0 s THR 110 Cb -0.17 -2.28 -0.07 0.00 0.01 0.00 0.00 72.50 70.00 1uf0 s THR 110 CO 0.12 0.32 -0.29 -0.24 -0.69 0.00 0.00 174.62 173.84 1uf0 n SER 111 N 1.45 1.71 0.00 3.53 2.88 -1.26 -5.09 113.62 116.84 1uf0 n SER 111 Ca -0.16 0.29 0.00 0.00 -1.33 0.00 0.00 58.87 57.67 1uf0 n SER 111 Cb 0.52 -0.66 0.00 0.00 -0.75 0.00 0.00 64.21 63.32 1uf0 n SER 111 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1uf0 n GLY 112 N 1.76 -2.12 3.54 0.46 0.00 -1.26 -5.05 105.19 102.51 1uf0 n GLY 112 Ca -0.23 0.66 -0.17 0.00 0.00 0.00 0.00 46.02 46.29 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 -1.51 0.36 -2.69 1.61 -0.02 -1.26 -4.62 135.00 126.87 1uf0 n PRO 113 Ca 0.00 -0.54 -0.04 0.00 -2.02 0.00 0.00 63.50 60.90 1uf0 n PRO 113 Cb 0.00 -2.72 0.05 0.00 -0.02 0.00 0.00 33.50 30.81 1uf0 n PRO 113 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1uf0 n SER 114 N 13.96 -1.89 0.00 2.55 3.41 -1.26 -5.03 113.62 125.36 1uf0 n SER 114 Ca 0.55 -1.82 0.00 0.00 -0.26 0.00 0.00 58.87 57.34 1uf0 n SER 114 Cb 0.32 1.02 0.00 0.00 -0.26 0.00 0.00 64.21 65.29 1uf0 n SER 114 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1uf0 n SER 115 N 2.16 0.31 0.00 4.04 7.64 -1.26 -5.15 113.62 121.36 1uf0 n SER 115 Ca 0.09 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.97 1uf0 n SER 115 Cb 0.65 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.85 1uf0 n SER 115 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64