#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uf0 s SER 2 N 0.00 -0.27 0.39 1.61 0.15 -1.26 -4.81 113.70 109.51 1uf0 s SER 2 Ca 0.00 0.28 -0.26 0.00 0.70 0.00 0.00 55.95 56.67 1uf0 s SER 2 Cb 0.00 1.27 -0.09 0.00 -1.71 0.00 0.00 66.02 65.49 1uf0 s SER 2 CO 0.00 -0.05 1.25 -0.44 1.20 0.00 0.00 173.24 175.20 1uf0 s SER 3 N 2.51 6.49 0.20 5.45 0.01 -1.26 -4.79 113.70 122.31 1uf0 s SER 3 Ca -0.02 2.55 0.00 0.00 1.31 0.00 0.00 55.95 59.79 1uf0 s SER 3 Cb -0.05 -2.63 0.00 0.00 0.21 0.00 0.00 66.02 63.54 1uf0 s SER 3 CO -0.14 -0.71 0.00 0.61 0.41 0.00 0.00 173.24 173.41 1uf0 n GLY 4 N 0.71 -3.10 3.48 3.44 0.00 -1.26 -5.10 105.19 103.35 1uf0 n GLY 4 Ca 0.03 -1.21 -0.08 0.00 0.00 0.00 0.00 46.02 44.76 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 -2.17 -2.10 0.09 1.61 3.41 -1.26 -5.05 113.62 108.14 1uf0 n SER 5 Ca -0.01 -2.44 -0.13 0.00 -0.26 0.00 0.00 58.87 56.03 1uf0 n SER 5 Cb 0.18 3.50 -0.13 0.00 -0.26 0.00 0.00 64.21 67.50 1uf0 n SER 5 CO 0.00 0.00 0.00 -1.28 -0.16 0.00 0.00 175.04 173.60 1uf0 h SER 6 N 1.83 0.27 -4.95 4.04 0.87 -1.99 -3.50 113.55 110.12 1uf0 h SER 6 Ca -0.31 -0.29 0.01 0.00 -1.23 0.00 0.00 61.79 59.97 1uf0 h SER 6 Cb 1.14 -0.09 -0.11 0.00 -0.44 0.00 0.00 62.40 62.90 1uf0 h SER 6 CO 0.39 1.23 -1.50 0.61 -0.53 0.00 0.00 176.83 177.03 1uf0 n GLY 7 N 1.47 -5.44 3.75 5.77 0.00 -1.26 -4.92 105.19 104.57 1uf0 n GLY 7 Ca -0.06 1.51 -0.36 0.00 0.00 0.00 0.00 46.02 47.11 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 -0.65 3.04 -0.36 1.61 1.02 -1.26 -4.32 119.74 118.82 1uf0 s LYS 8 Ca -0.24 1.85 -0.07 0.00 0.02 0.00 0.00 55.97 57.53 1uf0 s LYS 8 Cb 0.02 -1.99 0.01 0.00 -0.52 0.00 0.00 37.83 35.35 1uf0 s LYS 8 CO 0.64 -1.16 0.27 1.17 -0.92 0.00 0.00 175.35 175.35 1uf0 n LYS 9 N -1.47 -2.96 -3.57 1.68 3.00 -1.26 -5.07 118.16 108.51 1uf0 n LYS 9 Ca 0.13 2.47 -0.07 0.00 -0.00 0.00 0.00 58.31 60.84 1uf0 n LYS 9 Cb 0.49 -5.46 -0.03 0.00 0.00 0.00 0.00 35.03 30.03 1uf0 n LYS 9 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1uf0 s ALA 10 N -2.05 -1.97 -0.54 3.14 0.00 -1.26 -4.74 121.76 114.34 1uf0 s ALA 10 Ca 0.11 1.48 -0.23 0.00 0.00 0.00 0.00 51.96 53.32 1uf0 s ALA 10 Cb -0.03 -0.35 0.05 0.00 0.00 0.00 0.00 23.12 22.79 1uf0 s ALA 10 CO 0.77 -0.48 0.88 0.21 0.00 0.00 0.00 175.76 177.14 1uf0 s LYS 11 N -1.99 3.29 -0.22 0.00 2.20 -0.47 -4.78 119.74 117.77 1uf0 s LYS 11 Ca 0.05 -0.39 -0.29 0.00 -0.36 0.00 0.00 55.97 54.97 1uf0 s LYS 11 Cb -0.01 -4.07 -0.01 0.00 -1.51 0.00 0.00 37.83 32.23 1uf0 s LYS 11 CO -0.04 -1.44 1.38 0.15 -0.36 0.00 0.00 175.35 175.03 1uf0 s LYS 12 N 3.71 4.02 -0.07 4.03 -0.14 -1.26 -0.54 119.74 129.49 1uf0 s LYS 12 Ca 0.27 1.55 0.01 0.00 -1.36 0.00 0.00 55.97 56.44 1uf0 s LYS 12 Cb -0.14 -3.88 0.02 0.00 -1.68 0.00 0.00 37.83 32.15 1uf0 s LYS 12 CO 0.18 -0.99 -0.09 0.14 -0.76 0.00 0.00 175.35 173.83 1uf0 s VAL 13 N 4.20 0.94 0.22 3.17 -7.23 -1.07 -0.46 120.40 120.17 1uf0 s VAL 13 Ca 0.60 -0.32 -0.09 0.00 -1.81 0.00 0.00 61.98 60.35 1uf0 s VAL 13 Cb -0.21 -0.92 -0.07 0.00 0.56 0.00 0.00 36.38 35.74 1uf0 s VAL 13 CO 0.22 0.33 0.53 -0.60 -0.31 0.00 0.00 175.10 175.27 1uf0 s ARG 14 N 1.07 3.79 -0.05 4.82 3.52 0.07 -1.43 118.95 130.74 1uf0 s ARG 14 Ca -0.08 0.25 0.01 0.00 -0.13 0.00 0.00 55.73 55.78 1uf0 s ARG 14 Cb -0.14 -2.68 0.02 0.00 -1.56 0.00 0.00 34.95 30.59 1uf0 s ARG 14 CO -0.01 0.34 -0.04 -0.06 -0.81 0.00 0.00 175.30 174.72 1uf0 s PHE 15 N -1.78 0.83 0.45 5.12 0.08 -0.40 -1.45 117.98 120.82 1uf0 s PHE 15 Ca 0.46 -0.26 0.06 0.00 0.12 0.00 0.00 56.93 57.32 1uf0 s PHE 15 Cb -0.11 -0.75 -0.03 0.00 -0.57 0.00 0.00 43.02 41.56 1uf0 s PHE 15 CO 0.21 -0.24 0.22 0.71 -0.10 0.00 0.00 175.22 176.03 1uf0 s TYR 16 N 1.12 2.35 -0.09 0.36 2.02 0.22 -2.05 117.35 121.27 1uf0 s TYR 16 Ca -0.08 -0.67 -0.12 0.00 -0.37 0.00 0.00 57.07 55.84 1uf0 s TYR 16 Cb -0.14 -1.94 -0.05 0.00 -0.40 0.00 0.00 41.96 39.44 1uf0 s TYR 16 CO -0.01 0.03 0.28 0.50 -1.57 0.00 0.00 175.55 174.78 1uf0 s ARG 17 N -4.00 3.88 -0.44 -0.62 6.06 -1.26 -0.67 118.95 121.91 1uf0 s ARG 17 Ca 0.37 0.13 -0.27 0.00 -2.50 0.00 0.00 55.73 53.46 1uf0 s ARG 17 Cb 0.02 -3.28 -0.06 0.00 0.06 0.00 0.00 34.95 31.69 1uf0 s ARG 17 CO 0.21 0.57 2.29 1.21 -2.50 0.00 0.00 175.30 177.07 1uf0 s ASN 18 N -0.54 4.81 0.00 -2.12 3.84 -1.04 -2.12 114.94 117.76 1uf0 s ASN 18 Ca 0.18 1.20 0.00 0.00 0.21 0.00 0.00 52.86 54.45 1uf0 s ASN 18 Cb -0.14 -2.51 0.00 0.00 -0.55 0.00 0.00 41.25 38.05 1uf0 s ASN 18 CO 0.07 -2.58 0.00 0.61 -2.79 0.00 0.00 177.10 172.41 1uf0 n GLY 19 N 5.90 0.69 2.65 1.21 0.00 -1.26 -5.00 105.19 109.37 1uf0 n GLY 19 Ca 0.33 -0.43 -0.23 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.62 2.50 -0.07 1.61 -1.08 -0.90 -4.99 116.67 111.12 1uf0 s ASP 20 Ca 0.00 -0.88 0.15 0.00 -0.52 0.00 0.00 52.55 51.30 1uf0 s ASP 20 Cb 0.00 0.04 -0.22 0.00 -1.46 0.00 0.00 42.92 41.27 1uf0 s ASP 20 CO 0.00 -0.40 0.52 -2.11 0.52 0.00 0.00 175.17 173.70 1uf0 n ARG 21 N 5.28 0.65 -0.35 4.34 1.85 -1.26 -4.21 116.66 122.96 1uf0 n ARG 21 Ca -0.05 0.18 -0.00 0.00 -1.00 0.00 0.00 57.85 56.98 1uf0 n ARG 21 Cb 0.45 -1.71 0.13 0.00 -1.05 0.00 0.00 32.46 30.29 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 1.16 -4.12 2.89 -1.99 -1.98 -3.43 116.97 109.50 1uf0 h TYR 22 Ca -0.33 0.03 -0.50 0.00 2.00 0.00 0.00 58.73 59.93 1uf0 h TYR 22 Cb 1.97 -0.38 0.08 0.00 2.00 0.00 0.00 36.73 40.39 1uf0 h TYR 22 CO 0.00 0.66 0.41 0.12 -0.00 0.00 0.00 178.16 179.35 1uf0 s PHE 23 N -6.08 2.69 -0.14 4.88 5.36 -1.26 -4.99 117.98 118.44 1uf0 s PHE 23 Ca -0.13 1.55 -0.12 0.00 -0.96 0.00 0.00 56.93 57.27 1uf0 s PHE 23 Cb 0.18 -3.24 -0.24 0.00 -0.34 0.00 0.00 43.02 39.39 1uf0 s PHE 23 CO 0.81 -1.55 0.35 -0.22 -1.46 0.00 0.00 175.22 173.15 1uf0 h LYS 24 N 0.87 0.20 0.00 10.12 3.64 -1.89 -3.50 116.57 126.02 1uf0 h LYS 24 Ca -0.49 -0.34 0.00 0.00 -1.27 0.00 0.00 60.65 58.55 1uf0 h LYS 24 Cb 1.25 0.13 0.00 0.00 -0.41 0.00 0.00 32.23 33.20 1uf0 h LYS 24 CO 0.56 1.16 0.00 0.41 -2.27 0.00 0.00 179.45 179.31 1uf0 n GLY 25 N 1.82 2.46 3.15 5.01 0.00 -1.26 -4.92 105.19 111.45 1uf0 n GLY 25 Ca -0.31 -2.00 -0.27 0.00 0.00 0.00 0.00 46.02 43.43 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 -1.80 1.56 -0.14 -0.61 2.07 -0.87 -4.97 121.20 116.45 1uf0 s ILE 26 Ca 0.00 -0.78 -0.13 0.00 -1.41 0.00 0.00 60.65 58.33 1uf0 s ILE 26 Cb 0.00 -1.35 -0.05 0.00 0.13 0.00 0.00 42.46 41.20 1uf0 s ILE 26 CO 0.00 0.45 0.27 -0.69 -1.91 0.00 0.00 174.94 173.06 1uf0 s VAL 27 N 0.09 5.30 0.42 4.00 1.01 -1.26 -1.28 120.40 128.68 1uf0 s VAL 27 Ca -0.06 0.51 0.07 0.00 0.00 0.00 0.00 61.98 62.49 1uf0 s VAL 27 Cb -0.13 -3.60 -0.07 0.00 0.00 0.00 0.00 36.38 32.58 1uf0 s VAL 27 CO 0.03 0.45 0.01 -0.31 0.00 0.00 0.00 175.10 175.29 1uf0 s TYR 28 N 0.02 2.47 -0.34 5.22 1.51 -0.52 -4.98 117.35 120.73 1uf0 s TYR 28 Ca 0.17 -0.69 -0.01 0.00 -1.01 0.00 0.00 57.07 55.52 1uf0 s TYR 28 Cb -0.13 -1.77 0.12 0.00 -0.11 0.00 0.00 41.96 40.08 1uf0 s TYR 28 CO 0.05 0.43 0.18 0.00 -1.11 0.00 0.00 175.55 175.10 1uf0 s ALA 29 N -2.72 1.03 -0.90 3.71 0.00 -1.26 -2.59 121.76 119.03 1uf0 s ALA 29 Ca 0.33 -1.69 -0.25 0.00 0.00 0.00 0.00 51.96 50.35 1uf0 s ALA 29 Cb 0.09 -1.57 -0.05 0.00 0.00 0.00 0.00 23.12 21.59 1uf0 s ALA 29 CO 0.17 -1.92 1.94 0.42 0.00 0.00 0.00 175.76 176.37 1uf0 s ILE 30 N 1.36 3.45 0.23 0.00 -1.09 0.30 -4.73 121.20 120.72 1uf0 s ILE 30 Ca 0.14 -0.36 0.07 0.00 -2.23 0.00 0.00 60.65 58.27 1uf0 s ILE 30 Cb -0.21 -4.01 -0.04 0.00 -1.58 0.00 0.00 42.46 36.63 1uf0 s ILE 30 CO -0.13 -0.95 0.19 -0.55 -1.23 0.00 0.00 174.94 172.27 1uf0 s SER 31 N 8.02 5.56 0.41 3.58 0.15 -1.26 -1.37 113.70 128.78 1uf0 s SER 31 Ca 0.70 -0.21 0.18 0.00 0.70 0.00 0.00 55.95 57.32 1uf0 s SER 31 Cb -0.07 -1.43 0.88 0.00 -1.71 0.00 0.00 66.02 63.69 1uf0 s SER 31 CO -0.00 -0.02 1.85 1.55 1.20 0.00 0.00 173.24 177.82 1uf0 h PRO 32 N 1.66 0.00 0.01 5.44 0.13 -1.85 -2.79 132.00 134.59 1uf0 h PRO 32 Ca -0.48 0.00 -0.33 0.00 -0.87 0.00 0.00 66.00 64.31 1uf0 h PRO 32 Cb 1.23 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.30 1uf0 h PRO 32 CO 0.61 0.31 -2.05 -3.47 -0.23 0.00 0.00 178.00 173.18 1uf0 n ASP 33 N -3.80 0.70 0.00 1.44 -0.08 -1.26 -4.62 116.55 108.93 1uf0 n ASP 33 Ca -0.01 0.20 0.00 0.00 -1.51 0.00 0.00 54.79 53.47 1uf0 n ASP 33 Cb 0.40 0.26 0.00 0.00 2.34 0.00 0.00 41.12 44.13 1uf0 n ASP 33 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 1uf0 n ARG 34 N -2.98 0.00 -4.03 -0.67 1.74 -1.18 -4.87 116.66 104.68 1uf0 n ARG 34 Ca -0.26 0.25 -0.23 0.00 -0.77 0.00 0.00 57.85 56.84 1uf0 n ARG 34 Cb 1.09 -1.13 -0.03 0.00 -1.02 0.00 0.00 32.46 31.36 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 -1.64 3.30 0.00 -1.55 0.08 -1.06 -5.00 117.98 112.11 1uf0 s PHE 35 Ca 0.00 -0.03 0.00 0.00 0.12 0.00 0.00 56.93 57.02 1uf0 s PHE 35 Cb 0.00 -1.52 0.00 0.00 -0.57 0.00 0.00 43.02 40.93 1uf0 s PHE 35 CO 0.00 0.49 0.00 -2.13 -0.10 0.00 0.00 175.22 173.48 1uf0 n ARG 36 N -1.04 0.00 -4.39 0.44 0.63 -1.26 -4.54 116.66 106.50 1uf0 n ARG 36 Ca -0.08 0.00 -0.20 0.00 -0.92 0.00 0.00 57.85 56.65 1uf0 n ARG 36 Cb 0.56 -0.49 -0.10 0.00 0.45 0.00 0.00 32.46 32.88 1uf0 n ARG 36 CO 0.00 0.00 0.00 -1.12 -2.51 0.00 0.00 177.63 174.00 1uf0 s SER 37 N -4.41 2.82 0.47 6.15 0.01 -1.26 -5.03 113.70 112.45 1uf0 s SER 37 Ca 0.00 -1.07 0.13 0.00 1.31 0.00 0.00 55.95 56.31 1uf0 s SER 37 Cb 0.00 -0.18 1.10 0.00 0.21 0.00 0.00 66.02 67.15 1uf0 s SER 37 CO 0.00 -0.19 2.10 0.15 0.41 0.00 0.00 173.24 175.71 1uf0 h PHE 38 N 2.42 0.18 -0.72 2.43 3.57 -1.95 -2.08 116.94 120.79 1uf0 h PHE 38 Ca -0.39 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.08 1uf0 h PHE 38 Cb 1.23 -0.06 -0.03 0.00 2.79 0.00 0.00 35.95 39.88 1uf0 h PHE 38 CO 0.72 0.13 0.32 0.93 -2.23 0.00 0.00 178.31 178.18 1uf0 h GLU 39 N 0.19 1.06 -0.63 1.11 4.39 -1.99 -1.21 114.58 117.49 1uf0 h GLU 39 Ca 0.05 -0.17 -0.03 0.00 0.34 0.00 0.00 59.36 59.55 1uf0 h GLU 39 Cb 0.02 -0.18 -0.03 0.00 -0.10 0.00 0.00 28.75 28.46 1uf0 h GLU 39 CO -0.01 0.85 0.28 0.00 -1.16 0.00 0.00 179.01 178.98 1uf0 h ALA 40 N 1.15 1.32 -0.21 3.43 0.00 -1.79 -1.86 119.26 121.31 1uf0 h ALA 40 Ca 0.24 -0.14 -0.19 0.00 0.00 0.00 0.00 54.91 54.83 1uf0 h ALA 40 Cb 0.16 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.70 1uf0 h ALA 40 CO -0.03 0.52 -0.63 1.25 0.00 0.00 0.00 179.25 180.37 1uf0 h LEU 41 N 0.89 0.82 -0.83 0.00 5.85 -1.36 -3.07 115.31 117.62 1uf0 h LEU 41 Ca 0.22 -0.47 -0.05 0.00 0.84 0.00 0.00 57.88 58.42 1uf0 h LEU 41 Cb 0.12 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 40.88 1uf0 h LEU 41 CO -0.03 1.24 0.31 -0.07 -0.34 0.00 0.00 178.44 179.55 1uf0 h LEU 42 N 0.53 1.08 -1.44 2.25 3.38 -0.84 -0.36 115.31 119.91 1uf0 h LEU 42 Ca -0.01 -0.17 -0.04 0.00 0.09 0.00 0.00 57.88 57.75 1uf0 h LEU 42 Cb 1.22 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.68 1uf0 h LEU 42 CO 0.13 0.96 -0.05 0.00 0.09 0.00 0.00 178.44 179.57 1uf0 h ALA 43 N 1.19 1.54 0.13 1.53 0.00 -1.33 -1.81 119.26 120.52 1uf0 h ALA 43 Ca 0.26 -0.17 -0.28 0.00 0.00 0.00 0.00 54.91 54.72 1uf0 h ALA 43 Cb 0.22 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 17.92 1uf0 h ALA 43 CO -0.02 0.33 -1.27 -0.44 0.00 0.00 0.00 179.25 177.85 1uf0 h ASP 44 N 0.30 0.44 0.20 0.00 3.32 -1.33 -3.21 116.42 116.13 1uf0 h ASP 44 Ca 0.07 -0.48 -0.07 0.00 0.02 0.00 0.00 57.03 56.56 1uf0 h ASP 44 Cb 0.29 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.68 1uf0 h ASP 44 CO 0.01 1.38 -0.29 -0.07 -1.72 0.00 0.00 179.24 178.55 1uf0 h LEU 45 N 0.08 0.15 -0.73 1.55 3.38 -0.70 -2.60 115.31 116.44 1uf0 h LEU 45 Ca -0.14 -0.05 -0.14 0.00 0.09 0.00 0.00 57.88 57.64 1uf0 h LEU 45 Cb 1.98 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 42.68 1uf0 h LEU 45 CO 0.20 0.44 -0.60 0.74 0.09 0.00 0.00 178.44 179.32 1uf0 h THR 46 N 0.14 1.40 -0.48 0.22 2.02 -1.40 0.24 112.91 115.06 1uf0 h THR 46 Ca 0.02 -2.00 -0.01 0.00 0.77 0.00 0.00 66.41 65.18 1uf0 h THR 46 Cb 0.59 2.04 -0.02 0.00 -1.74 0.00 0.00 68.15 69.02 1uf0 h THR 46 CO 0.04 0.58 0.24 -0.09 0.37 0.00 0.00 175.52 176.67 1uf0 h ARG 47 N 0.10 0.66 0.00 6.66 2.43 -1.46 -3.33 114.38 119.43 1uf0 h ARG 47 Ca -0.01 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.10 1uf0 h ARG 47 Cb 1.08 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 30.50 1uf0 h ARG 47 CO 0.09 0.50 0.00 0.25 -1.51 0.00 0.00 179.97 179.29 1uf0 n THR 48 N -4.40 0.00 -2.12 0.20 -2.24 -1.15 -4.80 114.28 99.76 1uf0 n THR 48 Ca 0.04 0.28 -0.35 0.00 -2.27 0.00 0.00 64.05 61.75 1uf0 n THR 48 Cb 0.11 -1.25 -0.04 0.00 -2.10 0.00 0.00 70.33 67.05 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 -2.22 3.88 -3.24 3.22 4.77 0.83 -4.74 117.00 119.51 1uf0 n LEU 49 Ca 0.00 -3.42 0.04 0.00 -0.03 0.00 0.00 56.01 52.60 1uf0 n LEU 49 Cb 0.00 -1.68 -0.03 0.00 -2.33 0.00 0.00 43.42 39.38 1uf0 n LEU 49 CO 0.00 -0.99 0.65 -0.55 -1.33 0.00 0.00 177.39 175.18 1uf0 s SER 50 N 5.53 -0.43 0.36 -1.43 0.15 -1.25 -4.35 113.70 112.28 1uf0 s SER 50 Ca 0.62 0.42 0.04 0.00 0.70 0.00 0.00 55.95 57.73 1uf0 s SER 50 Cb 0.03 1.42 -0.02 0.00 -1.71 0.00 0.00 66.02 65.74 1uf0 s SER 50 CO 0.11 -0.08 0.16 0.47 1.20 0.00 0.00 173.24 175.10 1uf0 n ASP 51 N 5.14 0.84 -2.09 5.45 9.92 -1.21 -4.97 116.55 129.64 1uf0 n ASP 51 Ca -0.07 -3.00 -0.21 0.00 -0.53 0.00 0.00 54.79 50.97 1uf0 n ASP 51 Cb 0.54 1.07 0.17 0.00 -0.64 0.00 0.00 41.12 42.25 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 -1.61 3.72 0.00 -2.24 4.13 -1.26 -1.39 115.26 116.61 1uf0 n ASN 52 Ca -0.03 -3.42 0.00 0.00 1.68 0.00 0.00 54.58 52.81 1uf0 n ASN 52 Cb 0.56 -0.80 0.00 0.00 -1.54 0.00 0.00 39.78 38.00 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 -0.92 0.00 -0.09 2.41 0.31 -1.26 -4.83 118.33 113.95 1uf0 n VAL 53 Ca 0.53 0.00 -0.15 0.00 -0.01 0.00 0.00 64.34 64.71 1uf0 n VAL 53 Cb 1.54 -0.29 -0.08 0.00 -0.91 0.00 0.00 33.84 34.09 1uf0 n VAL 53 CO 0.00 0.00 0.00 0.78 -1.32 0.00 0.00 176.83 176.29 1uf0 h ASN 54 N 0.00 0.00 -2.26 4.52 2.35 -1.95 -3.43 115.58 114.80 1uf0 h ASN 54 Ca 0.00 -0.42 -0.58 0.00 -0.55 0.00 0.00 56.30 54.74 1uf0 h ASN 54 Cb 0.00 0.00 -0.39 0.00 0.05 0.00 0.00 38.32 37.98 1uf0 h ASN 54 CO 0.00 1.15 -0.94 0.18 -1.65 0.00 0.00 177.43 176.17 1uf0 n LEU 55 N -4.54 0.77 0.04 1.61 4.77 -1.23 -4.95 117.00 113.47 1uf0 n LEU 55 Ca -0.20 -4.75 -0.10 0.00 -0.03 0.00 0.00 56.01 50.93 1uf0 n LEU 55 Cb 0.49 0.27 -0.04 0.00 -2.33 0.00 0.00 43.42 41.81 1uf0 n LEU 55 CO 0.18 1.97 0.72 -0.65 -1.33 0.00 0.00 177.39 178.28 1uf0 h PRO 56 N 4.71 -0.30 0.11 3.23 0.11 -1.52 -2.90 132.00 135.45 1uf0 h PRO 56 Ca 0.16 0.02 -0.01 0.00 0.11 0.00 0.00 66.00 66.29 1uf0 h PRO 56 Cb 0.84 0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.02 1uf0 h PRO 56 CO 0.51 -0.20 -0.05 1.96 -0.21 0.00 0.00 178.00 180.01 1uf0 h GLN 57 N -0.31 -0.15 0.00 1.05 7.50 -1.94 -3.46 115.11 117.80 1uf0 h GLN 57 Ca 0.07 0.01 0.00 0.00 0.50 0.00 0.00 58.65 59.23 1uf0 h GLN 57 Cb 0.41 0.03 0.00 0.00 0.05 0.00 0.00 27.48 27.97 1uf0 h GLN 57 CO -0.23 -0.09 0.00 0.41 -1.50 0.00 0.00 178.83 177.42 1uf0 n GLY 58 N -1.14 0.11 3.09 3.46 0.00 -1.10 -5.08 105.19 104.54 1uf0 n GLY 58 Ca -0.08 -0.97 -0.32 0.00 0.00 0.00 0.00 46.02 44.65 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 -3.97 1.97 0.02 1.61 0.11 -1.26 -4.44 120.40 114.44 1uf0 s VAL 59 Ca 0.00 -0.94 -0.04 0.00 -2.93 0.00 0.00 61.98 58.06 1uf0 s VAL 59 Cb 0.00 -1.82 -0.01 0.00 -1.53 0.00 0.00 36.38 33.01 1uf0 s VAL 59 CO 0.00 0.47 -0.08 0.54 -3.33 0.00 0.00 175.10 172.70 1uf0 n ARG 60 N 4.63 0.13 -4.46 1.54 1.74 -1.05 -4.95 116.66 114.24 1uf0 n ARG 60 Ca -0.20 0.05 -0.32 0.00 -0.77 0.00 0.00 57.85 56.61 1uf0 n ARG 60 Cb 0.49 -0.66 -0.10 0.00 -1.02 0.00 0.00 32.46 31.17 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 -2.05 3.63 -0.31 0.55 2.01 -1.26 -5.00 115.64 113.21 1uf0 s THR 61 Ca -0.07 -0.78 0.01 0.00 0.31 0.00 0.00 61.69 61.16 1uf0 s THR 61 Cb 0.01 -2.58 0.09 0.00 0.01 0.00 0.00 72.50 70.04 1uf0 s THR 61 CO 0.10 0.40 0.06 -0.63 -0.69 0.00 0.00 174.62 173.85 1uf0 s ILE 62 N -0.99 1.48 0.89 1.82 1.01 -1.24 -0.29 121.20 123.88 1uf0 s ILE 62 Ca 0.17 -1.71 -0.14 0.00 0.00 0.00 0.00 60.65 58.97 1uf0 s ILE 62 Cb -0.11 -2.05 0.14 0.00 0.01 0.00 0.00 42.46 40.44 1uf0 s ILE 62 CO 0.07 -0.56 1.22 -0.31 0.00 0.00 0.00 174.94 175.36 1uf0 s TYR 63 N 1.32 2.32 0.75 3.97 1.51 0.28 0.51 117.35 128.01 1uf0 s TYR 63 Ca 0.08 0.61 -0.10 0.00 -1.01 0.00 0.00 57.07 56.65 1uf0 s TYR 63 Cb -0.18 -3.69 0.17 0.00 -0.11 0.00 0.00 41.96 38.15 1uf0 s TYR 63 CO -0.16 -2.26 1.02 0.25 -1.11 0.00 0.00 175.55 173.29 1uf0 n THR 64 N -3.60 0.00 -0.16 -0.71 -2.24 -0.91 0.10 114.28 106.76 1uf0 n THR 64 Ca 0.10 -0.95 -0.08 0.00 -2.27 0.00 0.00 64.05 60.86 1uf0 n THR 64 Cb 0.60 -1.42 0.06 0.00 -2.10 0.00 0.00 70.33 67.47 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 -1.33 1.26 0.00 2.28 6.09 -1.88 -3.25 117.51 120.69 1uf0 h ILE 65 Ca -0.33 -1.20 -0.01 0.00 -1.37 0.00 0.00 64.86 61.94 1uf0 h ILE 65 Cb 0.98 0.93 0.00 0.00 0.47 0.00 0.00 36.82 39.21 1uf0 h ILE 65 CO 0.26 0.42 -0.06 0.44 -3.07 0.00 0.00 178.15 176.15 1uf0 h ASP 66 N 0.87 0.05 0.00 2.19 3.32 -1.94 -3.46 116.42 117.45 1uf0 h ASP 66 Ca 0.14 -0.83 0.00 0.00 0.02 0.00 0.00 57.03 56.37 1uf0 h ASP 66 Cb 0.61 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.15 1uf0 h ASP 66 CO 0.04 0.87 0.00 0.61 -1.72 0.00 0.00 179.24 179.04 1uf0 n GLY 67 N 1.15 0.99 0.29 2.75 0.00 -1.23 -4.82 105.19 104.33 1uf0 n GLY 67 Ca -0.10 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.85 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 2.12 -4.69 0.99 4.77 -1.26 -4.97 117.00 113.96 1uf0 n LEU 68 Ca 0.00 0.01 -0.26 0.00 -0.03 0.00 0.00 56.01 55.74 1uf0 n LEU 68 Cb 0.00 -0.30 -0.07 0.00 -2.33 0.00 0.00 43.42 40.72 1uf0 n LEU 68 CO 0.00 0.48 -0.31 -0.75 -1.33 0.00 0.00 177.39 175.49 1uf0 s LYS 69 N -2.18 2.49 -0.15 3.23 2.47 -1.26 -5.03 119.74 119.30 1uf0 s LYS 69 Ca -0.13 -1.10 0.01 0.00 -1.56 0.00 0.00 55.97 53.19 1uf0 s LYS 69 Cb 0.04 -2.39 0.01 0.00 -1.46 0.00 0.00 37.83 34.03 1uf0 s LYS 69 CO 0.19 0.45 -0.19 -1.59 0.16 0.00 0.00 175.35 174.36 1uf0 s LYS 70 N -3.09 3.07 -0.03 4.03 -2.85 -1.26 -2.14 119.74 117.48 1uf0 s LYS 70 Ca 0.29 -0.82 -0.30 0.00 -1.00 0.00 0.00 55.97 54.14 1uf0 s LYS 70 Cb -0.09 -2.53 -0.05 0.00 -2.06 0.00 0.00 37.83 33.11 1uf0 s LYS 70 CO 0.20 -0.05 1.34 0.42 0.10 0.00 0.00 175.35 177.35 1uf0 s ILE 71 N 0.93 3.92 -0.04 3.79 -1.09 0.18 -4.89 121.20 124.00 1uf0 s ILE 71 Ca -0.04 1.27 0.25 0.00 -2.23 0.00 0.00 60.65 59.90 1uf0 s ILE 71 Cb -0.15 -3.81 0.44 0.00 -1.58 0.00 0.00 42.46 37.36 1uf0 s ILE 71 CO -0.04 -0.01 1.16 -0.24 -1.23 0.00 0.00 174.94 174.58 1uf0 n SER 72 N 5.45 1.13 -3.12 3.58 2.88 -1.26 -3.65 113.62 118.62 1uf0 n SER 72 Ca 0.13 -2.09 0.00 0.00 -1.33 0.00 0.00 58.87 55.58 1uf0 n SER 72 Cb 0.44 -0.33 0.01 0.00 -0.75 0.00 0.00 64.21 63.58 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 0.28 -1.14 -0.08 -3.46 7.64 -1.26 -5.02 113.62 110.58 1uf0 n SER 73 Ca 0.07 -1.41 -0.11 0.00 1.01 0.00 0.00 58.87 58.43 1uf0 n SER 73 Cb 1.08 1.80 -0.15 0.00 -1.01 0.00 0.00 64.21 65.94 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 0.63 0.07 -3.43 4.77 -1.26 -4.29 117.00 113.49 1uf0 n LEU 74 Ca 0.02 0.11 -0.05 0.00 -0.03 0.00 0.00 56.01 56.06 1uf0 n LEU 74 Cb 0.47 0.21 0.14 0.00 -2.33 0.00 0.00 43.42 41.91 1uf0 n LEU 74 CO 0.14 0.53 0.53 -0.78 -1.33 0.00 0.00 177.39 176.48 1uf0 h ASP 75 N 0.00 0.32 -0.40 -1.43 3.58 -2.01 -2.99 116.42 113.49 1uf0 h ASP 75 Ca -0.48 -0.16 0.00 0.00 0.42 0.00 0.00 57.03 56.81 1uf0 h ASP 75 Cb 2.14 -0.09 -0.02 0.00 1.72 0.00 0.00 39.33 43.08 1uf0 h ASP 75 CO 0.03 0.79 0.26 1.56 -2.88 0.00 0.00 179.24 179.01 1uf0 h GLN 76 N 0.23 0.54 -6.79 0.28 4.20 -1.97 -3.42 115.11 108.17 1uf0 h GLN 76 Ca 0.01 -0.03 -0.51 0.00 0.06 0.00 0.00 58.65 58.17 1uf0 h GLN 76 Cb 1.01 -0.12 0.03 0.00 0.30 0.00 0.00 27.48 28.70 1uf0 h GLN 76 CO 0.08 0.36 0.53 -0.51 -0.67 0.00 0.00 178.83 178.63 1uf0 s LEU 77 N -9.48 4.50 0.25 1.46 1.43 -1.13 -5.05 118.68 110.66 1uf0 s LEU 77 Ca -0.08 2.36 0.10 0.00 -1.03 0.00 0.00 54.13 55.49 1uf0 s LEU 77 Cb 0.17 -3.63 -0.04 0.00 0.03 0.00 0.00 46.19 42.72 1uf0 s LEU 77 CO 0.73 -0.29 -0.10 -0.69 0.23 0.00 0.00 176.35 176.24 1uf0 s VAL 78 N -0.91 3.04 0.08 -1.59 1.01 -1.26 -5.02 120.40 115.74 1uf0 s VAL 78 Ca 0.47 -2.02 -0.31 0.00 0.00 0.00 0.00 61.98 60.13 1uf0 s VAL 78 Cb -0.34 -2.58 -0.09 0.00 0.00 0.00 0.00 36.38 33.37 1uf0 s VAL 78 CO 0.43 -0.31 1.67 -0.70 0.00 0.00 0.00 175.10 176.18 1uf0 s GLU 79 N -3.39 4.19 -0.32 2.72 2.12 -1.26 -3.65 118.70 119.11 1uf0 s GLU 79 Ca 0.29 2.36 -0.00 0.00 0.36 0.00 0.00 54.97 57.97 1uf0 s GLU 79 Cb -0.07 -3.58 -0.01 0.00 0.26 0.00 0.00 34.13 30.74 1uf0 s GLU 79 CO 0.17 -0.74 0.29 0.41 -0.54 0.00 0.00 175.26 174.85 1uf0 n GLY 80 N 4.01 -0.53 3.21 -1.50 0.00 0.40 -4.90 105.19 105.87 1uf0 n GLY 80 Ca 0.16 0.07 -0.09 0.00 0.00 0.00 0.00 46.02 46.15 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 -3.10 0.82 0.16 1.61 0.41 -1.17 -5.06 118.70 112.36 1uf0 s GLU 81 Ca 0.03 -0.85 0.08 0.00 -0.41 0.00 0.00 54.97 53.82 1uf0 s GLU 81 Cb -0.00 0.34 -0.04 0.00 -1.78 0.00 0.00 34.13 32.64 1uf0 s GLU 81 CO 0.30 -0.26 -0.10 -1.12 -0.49 0.00 0.00 175.26 173.59 1uf0 s SER 82 N -2.65 4.28 -0.05 -0.19 0.01 -1.26 -0.75 113.70 113.09 1uf0 s SER 82 Ca 0.02 -0.53 -0.20 0.00 1.31 0.00 0.00 55.95 56.56 1uf0 s SER 82 Cb 0.03 -0.74 0.04 0.00 0.21 0.00 0.00 66.02 65.56 1uf0 s SER 82 CO -0.09 0.12 0.44 -0.31 0.41 0.00 0.00 173.24 173.81 1uf0 s TYR 83 N -1.56 -0.36 -0.27 2.43 2.02 -0.53 -3.08 117.35 116.00 1uf0 s TYR 83 Ca 0.24 0.65 -0.09 0.00 -0.37 0.00 0.00 57.07 57.50 1uf0 s TYR 83 Cb -0.09 0.20 -0.04 0.00 -0.40 0.00 0.00 41.96 41.63 1uf0 s TYR 83 CO 0.15 -0.43 0.14 0.08 -1.57 0.00 0.00 175.55 173.91 1uf0 s VAL 84 N -1.07 4.83 0.15 0.71 1.01 0.29 -0.61 120.40 125.70 1uf0 s VAL 84 Ca -0.11 -0.02 -0.30 0.00 0.00 0.00 0.00 61.98 61.56 1uf0 s VAL 84 Cb -0.03 -3.29 -0.07 0.00 0.00 0.00 0.00 36.38 32.98 1uf0 s VAL 84 CO 0.05 0.28 0.95 0.00 0.00 0.00 0.00 175.10 176.38 1uf0 n GLY 86 N 2.02 6.20 1.06 0.00 0.00 0.60 -2.50 105.19 112.57 1uf0 n GLY 86 Ca 0.01 -1.65 0.00 0.00 0.00 0.00 0.00 46.02 44.38 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 -1.66 1.61 2.88 -1.26 -2.53 113.62 112.66 1uf0 n SER 87 Ca 0.00 0.00 0.03 0.00 -1.33 0.00 0.00 58.87 57.57 1uf0 n SER 87 Cb 0.00 0.26 0.03 0.00 -0.75 0.00 0.00 64.21 63.74 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 -1.79 0.19 -4.24 2.46 -5.35 -1.26 -4.60 119.36 104.78 1uf0 n ILE 88 Ca 0.00 -1.28 -0.17 0.00 -0.27 0.00 0.00 62.75 61.03 1uf0 n ILE 88 Cb 0.00 1.02 -0.11 0.00 -1.74 0.00 0.00 39.64 38.81 1uf0 n ILE 88 CO 0.00 0.00 0.00 -1.83 -1.76 0.00 0.00 176.55 172.96 1uf0 s GLU 89 N -0.53 1.02 0.86 6.28 1.03 -1.26 -5.15 118.70 120.95 1uf0 s GLU 89 Ca 0.33 -1.26 -0.11 0.00 0.03 0.00 0.00 54.97 53.96 1uf0 s GLU 89 Cb 0.38 -0.84 0.11 0.00 -0.80 0.00 0.00 34.13 32.98 1uf0 s GLU 89 CO -0.15 0.15 1.11 -1.25 -1.33 0.00 0.00 175.26 173.79 1uf0 s PRO 90 N -2.82 1.48 0.48 -4.83 0.04 -1.26 -4.99 135.00 123.11 1uf0 s PRO 90 Ca 0.10 1.22 -0.22 0.00 0.04 0.00 0.00 61.00 62.14 1uf0 s PRO 90 Cb -0.04 -1.80 -0.07 0.00 0.04 0.00 0.00 34.50 32.63 1uf0 s PRO 90 CO 0.03 -2.21 1.13 0.12 0.04 0.00 0.00 177.00 176.11 1uf0 s PHE 91 N -2.80 2.86 -0.21 0.56 5.36 -1.26 -4.99 117.98 117.49 1uf0 s PHE 91 Ca 0.64 1.55 0.01 0.00 -0.96 0.00 0.00 56.93 58.17 1uf0 s PHE 91 Cb -0.20 -3.30 0.05 0.00 -0.34 0.00 0.00 43.02 39.23 1uf0 s PHE 91 CO 0.57 -1.39 -0.07 0.15 -1.46 0.00 0.00 175.22 173.02 1uf0 s LYS 92 N -2.91 1.77 -0.51 10.12 1.02 -1.26 -5.09 119.74 122.88 1uf0 s LYS 92 Ca 0.66 -0.89 -0.29 0.00 0.02 0.00 0.00 55.97 55.48 1uf0 s LYS 92 Cb -0.25 -2.47 0.03 0.00 -0.52 0.00 0.00 37.83 34.62 1uf0 s LYS 92 CO 0.30 -0.52 1.15 0.21 -0.92 0.00 0.00 175.35 175.58 1uf0 s LYS 93 N 1.42 3.66 0.10 1.68 2.20 -1.26 -4.69 119.74 122.85 1uf0 s LYS 93 Ca -0.03 0.48 0.02 0.00 -0.36 0.00 0.00 55.97 56.07 1uf0 s LYS 93 Cb -0.17 -3.94 -0.04 0.00 -1.51 0.00 0.00 37.83 32.17 1uf0 s LYS 93 CO -0.07 -1.46 -0.07 -0.51 -0.36 0.00 0.00 175.35 172.88 1uf0 s LEU 94 N 4.59 2.50 -1.21 5.43 1.43 -1.26 -5.07 118.68 125.08 1uf0 s LEU 94 Ca 0.47 -0.98 -0.20 0.00 -1.03 0.00 0.00 54.13 52.39 1uf0 s LEU 94 Cb -0.07 -0.09 0.03 0.00 0.03 0.00 0.00 46.19 46.08 1uf0 s LEU 94 CO 0.30 -0.44 1.74 -1.61 0.23 0.00 0.00 176.35 176.57 1uf0 s GLU 95 N -3.68 3.56 -0.09 1.70 8.01 -1.26 -4.74 118.70 122.19 1uf0 s GLU 95 Ca 0.11 -1.61 -0.27 0.00 0.01 0.00 0.00 54.97 53.21 1uf0 s GLU 95 Cb 0.04 -5.43 -0.23 0.00 -4.31 0.00 0.00 34.13 24.20 1uf0 s GLU 95 CO -0.04 -2.65 0.94 1.88 0.01 0.00 0.00 175.26 175.40 1uf0 h TYR 96 N 8.55 -0.01 -0.18 1.61 0.05 -1.95 -3.23 116.97 121.80 1uf0 h TYR 96 Ca 0.35 -0.00 0.05 0.00 0.05 0.00 0.00 58.73 59.18 1uf0 h TYR 96 Cb 0.91 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.65 1uf0 h TYR 96 CO 1.35 0.76 0.23 1.79 -1.05 0.00 0.00 178.16 181.24 1uf0 h THR 97 N -0.81 0.38 -0.39 -2.88 1.35 -1.90 -0.71 112.91 107.95 1uf0 h THR 97 Ca -0.00 0.00 0.11 0.00 -0.55 0.00 0.00 66.41 65.97 1uf0 h THR 97 Cb 0.77 0.81 -0.02 0.00 -1.73 0.00 0.00 68.15 67.98 1uf0 h THR 97 CO 0.00 0.00 0.30 0.50 -0.25 0.00 0.00 175.52 176.07 1uf0 h LYS 98 N 0.00 0.00 -0.40 4.72 3.64 -1.94 -0.23 116.57 122.36 1uf0 h LYS 98 Ca 0.09 0.00 -0.24 0.00 -1.27 0.00 0.00 60.65 59.23 1uf0 h LYS 98 Cb 0.55 0.00 -0.15 0.00 -0.41 0.00 0.00 32.23 32.23 1uf0 h LYS 98 CO -0.00 0.00 -0.16 0.27 -2.27 0.00 0.00 179.45 177.29 1uf0 n ASN 99 N -4.29 2.93 -3.89 4.20 0.23 -0.27 -4.98 115.26 109.18 1uf0 n ASN 99 Ca 0.06 -3.81 -0.12 0.00 -0.53 0.00 0.00 54.58 50.19 1uf0 n ASN 99 Cb 0.48 -0.61 -0.14 0.00 -2.08 0.00 0.00 39.78 37.43 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 -3.49 0.02 -0.13 3.53 1.01 -0.10 -4.85 120.40 116.40 1uf0 s VAL 100 Ca 0.46 -0.15 -0.14 0.00 0.00 0.00 0.00 61.98 62.14 1uf0 s VAL 100 Cb 0.41 -0.06 -0.05 0.00 0.00 0.00 0.00 36.38 36.69 1uf0 s VAL 100 CO -0.01 -0.08 0.33 0.54 0.00 0.00 0.00 175.10 175.88 1uf0 s ASN 101 N -0.25 6.53 1.18 3.32 4.22 -1.26 -4.90 114.94 123.78 1uf0 s ASN 101 Ca -0.03 0.62 -0.19 0.00 -2.14 0.00 0.00 52.86 51.12 1uf0 s ASN 101 Cb -0.02 -2.20 0.28 0.00 1.28 0.00 0.00 41.25 40.59 1uf0 s ASN 101 CO -0.00 0.13 1.17 -2.16 -2.04 0.00 0.00 177.10 174.19 1uf0 s PRO 102 N 0.20 -1.05 -0.79 3.55 0.04 -1.26 -4.57 135.00 131.12 1uf0 s PRO 102 Ca 0.19 -0.23 -0.04 0.00 0.04 0.00 0.00 61.00 60.96 1uf0 s PRO 102 Cb -0.14 -1.63 -0.04 0.00 0.04 0.00 0.00 34.50 32.73 1uf0 s PRO 102 CO 0.06 -3.57 0.68 -1.71 0.04 0.00 0.00 177.00 172.51 1uf0 n ASN 103 N -4.62 -4.81 -0.02 6.66 4.05 -1.26 -4.98 115.26 110.28 1uf0 n ASN 103 Ca 0.15 -0.51 -0.03 0.00 0.45 0.00 0.00 54.58 54.64 1uf0 n ASN 103 Cb 0.60 -3.94 -0.03 0.00 1.23 0.00 0.00 39.78 37.64 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 -2.86 0.00 -1.38 1.20 4.27 -1.26 -4.61 117.44 112.79 1uf0 n TRP 104 Ca -0.08 0.00 -0.16 0.00 -3.89 0.00 0.00 57.50 53.37 1uf0 n TRP 104 Cb 0.59 -0.20 0.17 0.00 -1.36 0.00 0.00 31.31 30.51 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 -2.41 3.55 0.03 -0.67 7.64 -1.26 -4.11 113.62 116.39 1uf0 n SER 105 Ca -0.08 -3.72 0.00 0.00 1.01 0.00 0.00 58.87 56.08 1uf0 n SER 105 Cb 0.62 -0.74 0.00 0.00 -1.01 0.00 0.00 64.21 63.08 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 -1.10 0.40 -0.06 0.44 0.31 -1.26 -4.76 118.33 112.29 1uf0 n VAL 106 Ca 0.48 0.13 -0.03 0.00 -0.01 0.00 0.00 64.34 64.91 1uf0 n VAL 106 Cb 1.28 -1.28 -0.02 0.00 -0.91 0.00 0.00 33.84 32.91 1uf0 n VAL 106 CO 0.00 0.00 0.00 0.78 -1.32 0.00 0.00 176.83 176.29 1uf0 h ASN 107 N 0.00 0.00 -4.36 4.52 4.21 -1.82 -3.51 115.58 114.62 1uf0 h ASN 107 Ca 0.00 -0.06 0.00 0.00 1.21 0.00 0.00 56.30 57.45 1uf0 h ASN 107 Cb 0.44 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.64 1uf0 h ASN 107 CO 0.00 0.66 -0.80 0.52 -1.29 0.00 0.00 177.43 176.52 1uf0 n VAL 108 N -4.70-11.35 -3.82 2.81 0.31 -1.26 -5.03 118.33 95.28 1uf0 n VAL 108 Ca -0.04 2.62 -0.26 0.00 -0.01 0.00 0.00 64.34 66.64 1uf0 n VAL 108 Cb 0.15 -5.44 -0.17 0.00 -0.91 0.00 0.00 33.84 27.47 1uf0 n VAL 108 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 1uf0 s LYS 109 N -0.91 1.03 -0.20 5.55 3.01 -1.26 -4.99 119.74 121.97 1uf0 s LYS 109 Ca 0.00 -0.27 0.19 0.00 -1.01 0.00 0.00 55.97 54.88 1uf0 s LYS 109 Cb 0.00 -1.66 0.42 0.00 -1.01 0.00 0.00 37.83 35.58 1uf0 s LYS 109 CO 0.00 -0.42 1.21 2.41 0.51 0.00 0.00 175.35 179.07 1uf0 n THR 110 N 5.00 0.61 -3.83 2.17 -1.04 -1.26 -5.11 114.28 110.83 1uf0 n THR 110 Ca -0.10 -1.82 -0.11 0.00 -2.04 0.00 0.00 64.05 59.98 1uf0 n THR 110 Cb 0.49 1.10 -0.09 0.00 -1.82 0.00 0.00 70.33 70.01 1uf0 n THR 110 CO 0.00 0.00 0.00 -0.55 -0.64 0.00 0.00 175.07 173.88 1uf0 s SER 111 N -2.56 -0.03 0.00 8.00 0.15 -1.26 -5.04 113.70 112.96 1uf0 s SER 111 Ca 0.22 -0.21 0.00 0.00 0.70 0.00 0.00 55.95 56.66 1uf0 s SER 111 Cb 0.33 0.27 0.00 0.00 -1.71 0.00 0.00 66.02 64.92 1uf0 s SER 111 CO -0.08 -0.48 0.00 0.61 1.20 0.00 0.00 173.24 174.49 1uf0 n GLY 112 N 1.03 -0.22 3.59 9.45 0.00 -1.26 -5.13 105.19 112.65 1uf0 n GLY 112 Ca -0.21 -1.20 -0.41 0.00 0.00 0.00 0.00 46.02 44.21 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 1.16 -1.84 1.61 -0.02 -1.26 -4.57 135.00 130.09 1uf0 n PRO 113 Ca 0.00 0.42 0.00 0.00 -2.02 0.00 0.00 63.50 61.90 1uf0 n PRO 113 Cb 0.00 -1.99 0.00 0.00 -0.02 0.00 0.00 33.50 31.49 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 0.40 -8.25 -0.97 2.55 2.88 -1.26 -4.94 113.62 104.03 1uf0 n SER 114 Ca 0.10 1.21 0.02 0.00 -1.33 0.00 0.00 58.87 58.88 1uf0 n SER 114 Cb 0.41 -4.55 0.15 0.00 -0.75 0.00 0.00 64.21 59.47 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 1.42 1.94 0.00 -3.46 7.64 -1.26 -5.09 113.62 114.81 1uf0 n SER 115 Ca 0.00 -3.52 0.00 0.00 1.01 0.00 0.00 58.87 56.36 1uf0 n SER 115 Cb 0.00 -0.47 0.00 0.00 -1.01 0.00 0.00 64.21 62.73 1uf0 n SER 115 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64