#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 6.47 -0.04 1.61 0.01 -1.26 -5.02 113.70 115.47 1uf0 s SER 2 Ca 0.00 -3.62 0.03 0.00 1.31 0.00 0.00 55.95 53.67 1uf0 s SER 2 Cb 0.00 -2.02 0.00 0.00 0.21 0.00 0.00 66.02 64.21 1uf0 s SER 2 CO 0.00 -0.24 -0.13 -0.94 0.41 0.00 0.00 173.24 172.34 1uf0 s SER 3 N 0.47 1.73 0.00 2.44 1.04 -1.26 -5.06 113.70 113.06 1uf0 s SER 3 Ca 0.28 -0.28 0.00 0.00 0.48 0.00 0.00 55.95 56.43 1uf0 s SER 3 Cb -0.09 -0.54 0.00 0.00 0.10 0.00 0.00 66.02 65.49 1uf0 s SER 3 CO -0.11 0.10 0.00 0.61 0.98 0.00 0.00 173.24 174.82 1uf0 n GLY 4 N 3.33 -2.56 2.88 7.32 0.00 -1.26 -5.04 105.19 109.86 1uf0 n GLY 4 Ca -0.19 -1.22 -0.12 0.00 0.00 0.00 0.00 46.02 44.49 1uf0 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1uf0 s SER 5 N -1.95 0.47 0.00 1.61 0.15 -1.26 -5.02 113.70 107.69 1uf0 s SER 5 Ca 0.00 -1.24 0.00 0.00 0.70 0.00 0.00 55.95 55.41 1uf0 s SER 5 Cb 0.00 0.94 0.00 0.00 -1.71 0.00 0.00 66.02 65.25 1uf0 s SER 5 CO 0.00 -0.25 0.00 -1.20 1.20 0.00 0.00 173.24 172.99 1uf0 n SER 6 N 4.44 0.00 0.00 5.45 7.64 -1.26 -5.06 113.62 124.83 1uf0 n SER 6 Ca 0.10 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.98 1uf0 n SER 6 Cb 0.48 -0.19 0.00 0.00 -1.01 0.00 0.00 64.21 63.49 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 2.70 1.22 2.59 0.23 0.00 -1.26 -5.05 105.19 105.62 1uf0 n GLY 7 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 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 0.67 0.10 -1.25 1.61 -0.14 -1.26 -5.07 119.74 114.40 1uf0 s LYS 8 Ca 0.00 -0.20 -0.14 0.00 -1.36 0.00 0.00 55.97 54.27 1uf0 s LYS 8 Cb 0.00 -1.65 0.15 0.00 -1.68 0.00 0.00 37.83 34.65 1uf0 s LYS 8 CO 0.00 -0.76 1.59 1.17 -0.76 0.00 0.00 175.35 176.58 1uf0 n LYS 9 N 5.27 3.36 -3.96 1.68 4.81 -1.26 -4.97 118.16 123.09 1uf0 n LYS 9 Ca -0.07 -3.66 -0.35 0.00 -0.87 0.00 0.00 58.31 53.36 1uf0 n LYS 9 Cb 0.47 -3.11 -0.10 0.00 0.02 0.00 0.00 35.03 32.31 1uf0 n LYS 9 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1uf0 s ALA 10 N 1.87 3.36 -0.54 3.14 0.00 -1.26 -4.82 121.76 123.52 1uf0 s ALA 10 Ca 0.44 -0.83 -0.27 0.00 0.00 0.00 0.00 51.96 51.31 1uf0 s ALA 10 Cb 0.01 -1.96 0.03 0.00 0.00 0.00 0.00 23.12 21.20 1uf0 s ALA 10 CO 0.01 0.04 1.08 0.15 0.00 0.00 0.00 175.76 177.04 1uf0 s LYS 11 N 0.64 3.50 -0.56 0.00 3.01 0.15 -4.74 119.74 121.75 1uf0 s LYS 11 Ca 0.03 0.16 -0.27 0.00 -1.01 0.00 0.00 55.97 54.88 1uf0 s LYS 11 Cb -0.13 -3.99 0.03 0.00 -1.01 0.00 0.00 37.83 32.73 1uf0 s LYS 11 CO 0.02 -1.51 1.08 0.15 0.51 0.00 0.00 175.35 175.60 1uf0 s LYS 12 N 4.43 3.46 -0.07 1.68 1.02 -1.26 0.07 119.74 129.07 1uf0 s LYS 12 Ca 0.40 0.08 0.01 0.00 0.02 0.00 0.00 55.97 56.47 1uf0 s LYS 12 Cb -0.09 -4.02 -0.03 0.00 -0.52 0.00 0.00 37.83 33.18 1uf0 s LYS 12 CO 0.25 -1.57 -0.08 0.14 -0.92 0.00 0.00 175.35 173.17 1uf0 s VAL 13 N 4.49 3.57 -0.17 3.17 -7.23 0.18 -2.77 120.40 121.64 1uf0 s VAL 13 Ca 0.38 -0.52 -0.11 0.00 -1.81 0.00 0.00 61.98 59.92 1uf0 s VAL 13 Cb -0.09 -2.46 -0.05 0.00 0.56 0.00 0.00 36.38 34.34 1uf0 s VAL 13 CO 0.24 0.59 0.18 -0.60 -0.31 0.00 0.00 175.10 175.20 1uf0 s ARG 14 N -0.68 4.08 -0.17 4.82 3.52 -0.51 0.46 118.95 130.47 1uf0 s ARG 14 Ca 0.10 -0.11 0.01 0.00 -0.13 0.00 0.00 55.73 55.61 1uf0 s ARG 14 Cb -0.11 -3.38 0.01 0.00 -1.56 0.00 0.00 34.95 29.91 1uf0 s ARG 14 CO 0.01 0.37 -0.20 -0.06 -0.81 0.00 0.00 175.30 174.62 1uf0 s PHE 15 N 0.12 2.75 0.45 5.12 0.08 0.45 -0.49 117.98 126.46 1uf0 s PHE 15 Ca 0.12 -1.50 0.08 0.00 0.12 0.00 0.00 56.93 55.75 1uf0 s PHE 15 Cb -0.12 -1.89 0.01 0.00 -0.57 0.00 0.00 43.02 40.45 1uf0 s PHE 15 CO 0.01 -0.72 0.54 0.71 -0.10 0.00 0.00 175.22 175.65 1uf0 s TYR 16 N 1.13 2.49 -0.05 0.36 1.51 -0.28 -2.18 117.35 120.32 1uf0 s TYR 16 Ca 0.01 -0.51 -0.18 0.00 -1.01 0.00 0.00 57.07 55.38 1uf0 s TYR 16 Cb -0.14 -2.26 -0.05 0.00 -0.11 0.00 0.00 41.96 39.40 1uf0 s TYR 16 CO -0.09 -0.45 0.49 0.50 -1.11 0.00 0.00 175.55 174.90 1uf0 s ARG 17 N -4.33 4.22 -0.61 -0.62 6.06 -1.26 -1.28 118.95 121.12 1uf0 s ARG 17 Ca 0.53 0.52 -0.27 0.00 -2.50 0.00 0.00 55.73 54.01 1uf0 s ARG 17 Cb -0.07 -3.34 0.01 0.00 0.06 0.00 0.00 34.95 31.61 1uf0 s ARG 17 CO 0.32 0.38 1.46 1.21 -2.50 0.00 0.00 175.30 176.17 1uf0 s ASN 18 N -0.13 5.98 0.00 -2.12 3.84 -1.17 -2.97 114.94 118.37 1uf0 s ASN 18 Ca 0.27 0.12 0.00 0.00 0.21 0.00 0.00 52.86 53.46 1uf0 s ASN 18 Cb -0.17 -2.55 0.00 0.00 -0.55 0.00 0.00 41.25 37.99 1uf0 s ASN 18 CO 0.13 -1.86 0.00 0.61 -2.79 0.00 0.00 177.10 173.19 1uf0 n GLY 19 N 5.37 1.81 3.05 1.21 0.00 -1.26 -4.92 105.19 110.45 1uf0 n GLY 19 Ca 0.12 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.03 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 -2.00 0.16 -0.11 1.61 2.15 -1.16 -5.02 116.67 112.30 1uf0 s ASP 20 Ca 0.00 0.54 0.15 0.00 0.43 0.00 0.00 52.55 53.67 1uf0 s ASP 20 Cb 0.00 1.07 -0.24 0.00 -0.30 0.00 0.00 42.92 43.45 1uf0 s ASP 20 CO 0.00 -0.27 0.40 -2.11 -0.17 0.00 0.00 175.17 173.03 1uf0 n ARG 21 N 5.37 0.66 0.22 4.34 1.85 -1.26 -4.13 116.66 123.70 1uf0 n ARG 21 Ca -0.06 0.17 0.11 0.00 -1.00 0.00 0.00 57.85 57.07 1uf0 n ARG 21 Cb 0.50 -1.68 0.69 0.00 -1.05 0.00 0.00 32.46 30.92 1uf0 n ARG 21 CO 0.00 0.00 0.00 1.88 -0.01 0.00 0.00 177.63 179.50 1uf0 h TYR 22 N 0.00 0.00 -3.85 2.89 0.05 -1.95 -3.43 116.97 110.68 1uf0 h TYR 22 Ca -0.40 0.00 -0.54 0.00 0.05 0.00 0.00 58.73 57.83 1uf0 h TYR 22 Cb 2.11 0.00 0.11 0.00 1.01 0.00 0.00 36.73 39.96 1uf0 h TYR 22 CO 0.00 0.00 0.74 0.34 -1.05 0.00 0.00 178.16 178.19 1uf0 n PHE 23 N -4.40 2.90 0.03 4.88 7.35 -1.26 -4.92 117.46 122.04 1uf0 n PHE 23 Ca -0.01 0.46 -0.09 0.00 -0.76 0.00 0.00 57.45 57.05 1uf0 n PHE 23 Cb 0.18 -2.52 -0.13 0.00 0.35 0.00 0.00 39.48 37.37 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 2.87 0.03 0.00 -4.13 1.57 -1.92 -3.49 116.57 111.50 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 1.25 0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.58 1uf0 h LYS 24 CO 0.64 0.80 0.00 0.41 -0.57 0.00 0.00 179.45 180.73 1uf0 n GLY 25 N 1.48 2.73 3.69 3.86 0.00 -1.26 -4.84 105.19 110.85 1uf0 n GLY 25 Ca -0.09 -1.60 -0.35 0.00 0.00 0.00 0.00 46.02 43.98 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 -1.23 4.40 -0.07 -0.61 2.07 -0.93 -4.94 121.20 119.89 1uf0 s ILE 26 Ca 0.00 -0.21 -0.12 0.00 -1.41 0.00 0.00 60.65 58.91 1uf0 s ILE 26 Cb 0.00 -2.86 -0.05 0.00 0.13 0.00 0.00 42.46 39.68 1uf0 s ILE 26 CO 0.00 0.60 0.30 -0.69 -1.91 0.00 0.00 174.94 173.24 1uf0 s VAL 27 N -0.81 5.24 -0.09 4.00 1.01 -1.26 -0.41 120.40 128.08 1uf0 s VAL 27 Ca 0.12 0.58 0.01 0.00 0.00 0.00 0.00 61.98 62.70 1uf0 s VAL 27 Cb -0.11 -3.60 0.02 0.00 0.00 0.00 0.00 36.38 32.69 1uf0 s VAL 27 CO 0.02 0.56 -0.11 -0.31 0.00 0.00 0.00 175.10 175.26 1uf0 s TYR 28 N -0.77 1.58 -0.54 5.22 1.51 0.17 -4.97 117.35 119.56 1uf0 s TYR 28 Ca 0.20 -0.69 -0.19 0.00 -1.01 0.00 0.00 57.07 55.37 1uf0 s TYR 28 Cb -0.14 -1.20 0.07 0.00 -0.11 0.00 0.00 41.96 40.58 1uf0 s TYR 28 CO 0.09 -0.40 0.68 0.00 -1.11 0.00 0.00 175.55 174.80 1uf0 s ALA 29 N 1.06 3.37 -0.19 3.71 0.00 -1.26 0.47 121.76 128.93 1uf0 s ALA 29 Ca -0.07 -1.87 -0.26 0.00 0.00 0.00 0.00 51.96 49.76 1uf0 s ALA 29 Cb -0.15 -3.44 -0.01 0.00 0.00 0.00 0.00 23.12 19.52 1uf0 s ALA 29 CO -0.01 -2.16 0.88 0.42 0.00 0.00 0.00 175.76 174.89 1uf0 s ILE 30 N 2.76 4.83 -0.07 0.00 -1.09 0.11 -4.70 121.20 123.04 1uf0 s ILE 30 Ca 0.15 1.73 -0.20 0.00 -2.23 0.00 0.00 60.65 60.10 1uf0 s ILE 30 Cb -0.20 -4.18 0.04 0.00 -1.58 0.00 0.00 42.46 36.54 1uf0 s ILE 30 CO 0.10 -0.03 0.46 -0.44 -1.23 0.00 0.00 174.94 173.80 1uf0 s SER 31 N 1.20 -0.40 0.55 3.58 0.01 -1.26 0.33 113.70 117.70 1uf0 s SER 31 Ca 0.40 0.49 0.28 0.00 1.31 0.00 0.00 55.95 58.43 1uf0 s SER 31 Cb -0.16 0.55 1.45 0.00 0.21 0.00 0.00 66.02 68.07 1uf0 s SER 31 CO 0.11 -0.42 1.94 -0.65 0.41 0.00 0.00 173.24 174.63 1uf0 h PRO 32 N 4.01 0.00 0.01 12.44 0.11 -1.90 0.23 132.00 146.91 1uf0 h PRO 32 Ca -0.28 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.83 1uf0 h PRO 32 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1uf0 h PRO 32 CO 0.35 0.00 -0.01 -0.44 -0.21 0.00 0.00 178.00 177.69 1uf0 h ASP 33 N 0.00 -0.01 0.00 -2.05 3.32 -1.99 -3.40 116.42 112.29 1uf0 h ASP 33 Ca 0.30 -0.33 0.00 0.00 0.02 0.00 0.00 57.03 57.03 1uf0 h ASP 33 Cb 1.28 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.83 1uf0 h ASP 33 CO -0.00 0.64 0.00 0.54 -1.72 0.00 0.00 179.24 178.70 1uf0 n ARG 34 N -4.74 0.00 -3.70 3.56 1.74 -0.96 -4.69 116.66 107.87 1uf0 n ARG 34 Ca -0.03 0.38 -0.35 0.00 -0.77 0.00 0.00 57.85 57.08 1uf0 n ARG 34 Cb 0.16 -1.34 -0.08 0.00 -1.02 0.00 0.00 32.46 30.19 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 -2.37 3.41 -0.25 -1.55 0.08 0.03 -4.98 117.98 112.35 1uf0 s PHE 35 Ca 0.00 0.37 0.04 0.00 0.12 0.00 0.00 56.93 57.45 1uf0 s PHE 35 Cb 0.00 -2.19 -0.18 0.00 -0.57 0.00 0.00 43.02 40.08 1uf0 s PHE 35 CO 0.00 0.27 -0.20 -2.13 -0.10 0.00 0.00 175.22 173.06 1uf0 n ARG 36 N 3.56 0.65 -3.08 0.44 3.00 -1.26 -3.91 116.66 116.06 1uf0 n ARG 36 Ca -0.15 0.13 -0.09 0.00 -0.00 0.00 0.00 57.85 57.74 1uf0 n ARG 36 Cb 0.52 -1.52 -0.04 0.00 0.00 0.00 0.00 32.46 31.42 1uf0 n ARG 36 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.63 178.06 1uf0 n SER 37 N -3.21 -0.35 0.10 6.15 7.64 -1.26 -5.05 113.62 117.64 1uf0 n SER 37 Ca -0.45 -2.06 -0.05 0.00 1.01 0.00 0.00 58.87 57.32 1uf0 n SER 37 Cb 1.01 0.82 0.04 0.00 -1.01 0.00 0.00 64.21 65.07 1uf0 n SER 37 CO 0.00 0.00 0.00 0.15 -3.01 0.00 0.00 175.04 172.18 1uf0 h PHE 38 N 1.52 0.11 -0.35 1.43 3.57 -1.97 -3.14 116.94 118.11 1uf0 h PHE 38 Ca -0.11 -0.06 0.01 0.00 3.53 0.00 0.00 57.97 61.35 1uf0 h PHE 38 Cb 0.58 -0.01 -0.02 0.00 2.79 0.00 0.00 35.95 39.29 1uf0 h PHE 38 CO 0.00 0.83 0.23 0.93 -2.23 0.00 0.00 178.31 178.07 1uf0 h GLU 39 N 0.04 0.41 -0.01 1.11 4.39 -1.96 -0.03 114.58 118.53 1uf0 h GLU 39 Ca -0.02 -0.02 -0.17 0.00 0.34 0.00 0.00 59.36 59.49 1uf0 h GLU 39 Cb 1.38 -0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 29.92 1uf0 h GLU 39 CO 0.11 0.27 -0.78 0.00 -1.16 0.00 0.00 179.01 177.45 1uf0 h ALA 40 N 1.79 0.67 0.01 3.43 0.00 -1.96 -2.75 119.26 120.45 1uf0 h ALA 40 Ca 0.13 -0.68 -0.20 0.00 0.00 0.00 0.00 54.91 54.17 1uf0 h ALA 40 Cb 0.02 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 1uf0 h ALA 40 CO -0.03 0.90 -0.93 1.25 0.00 0.00 0.00 179.25 180.44 1uf0 h LEU 41 N 0.07 0.13 -0.24 0.00 5.85 -1.29 -2.97 115.31 116.87 1uf0 h LEU 41 Ca -0.02 -0.11 -0.15 0.00 0.84 0.00 0.00 57.88 58.44 1uf0 h LEU 41 Cb 1.37 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 42.36 1uf0 h LEU 41 CO 0.11 0.98 -0.42 -0.07 -0.34 0.00 0.00 178.44 178.70 1uf0 h LEU 42 N 0.04 0.78 -1.26 2.25 3.38 -1.04 -1.19 115.31 118.28 1uf0 h LEU 42 Ca -0.03 -0.53 -0.07 0.00 0.09 0.00 0.00 57.88 57.33 1uf0 h LEU 42 Cb 1.60 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 42.12 1uf0 h LEU 42 CO 0.13 1.16 -0.31 0.00 0.09 0.00 0.00 178.44 179.51 1uf0 h ALA 43 N 0.64 1.39 0.10 1.53 0.00 -1.55 -1.40 119.26 119.95 1uf0 h ALA 43 Ca 0.01 -0.31 -0.26 0.00 0.00 0.00 0.00 54.91 54.36 1uf0 h ALA 43 Cb 1.02 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.74 1uf0 h ALA 43 CO 0.09 0.44 -1.17 0.22 0.00 0.00 0.00 179.25 178.84 1uf0 h ASP 44 N 0.08 0.35 0.17 0.00 3.58 -1.45 -3.12 116.42 116.04 1uf0 h ASP 44 Ca 0.01 -0.37 -0.16 0.00 0.42 0.00 0.00 57.03 56.93 1uf0 h ASP 44 Cb 0.60 -0.11 -0.01 0.00 1.72 0.00 0.00 39.33 41.53 1uf0 h ASP 44 CO 0.04 1.27 -0.59 -0.07 -2.88 0.00 0.00 179.24 177.02 1uf0 h LEU 45 N 0.07 0.48 -1.05 2.28 3.38 -0.96 -3.02 115.31 116.50 1uf0 h LEU 45 Ca -0.11 -0.27 -0.10 0.00 0.09 0.00 0.00 57.88 57.49 1uf0 h LEU 45 Cb 1.90 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 42.49 1uf0 h LEU 45 CO 0.19 0.97 -0.43 0.74 0.09 0.00 0.00 178.44 179.99 1uf0 h THR 46 N 0.32 1.32 0.00 0.22 2.02 -1.33 0.63 112.91 116.09 1uf0 h THR 46 Ca -0.00 -1.53 -0.11 0.00 0.77 0.00 0.00 66.41 65.54 1uf0 h THR 46 Cb 1.13 1.77 -0.02 0.00 -1.74 0.00 0.00 68.15 69.29 1uf0 h THR 46 CO 0.10 0.44 -0.53 -0.09 0.37 0.00 0.00 175.52 175.82 1uf0 h ARG 47 N 0.08 0.00 0.00 6.66 2.43 -1.46 -3.33 114.38 118.76 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 0.80 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.35 1uf0 h ARG 47 CO 0.06 0.53 -0.57 0.25 -1.51 0.00 0.00 179.97 178.73 1uf0 n THR 48 N -3.86 0.91 -2.94 0.20 -2.24 -1.05 -4.77 114.28 100.53 1uf0 n THR 48 Ca -0.01 0.29 -0.44 0.00 -2.27 0.00 0.00 64.05 61.61 1uf0 n THR 48 Cb 0.55 -2.03 -0.01 0.00 -2.10 0.00 0.00 70.33 66.74 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 -6.79 5.05 -0.32 3.22 1.43 0.22 -4.72 118.68 116.78 1uf0 s LEU 49 Ca -0.17 -2.62 -0.09 0.00 -1.03 0.00 0.00 54.13 50.23 1uf0 s LEU 49 Cb 0.02 -2.40 0.22 0.00 0.03 0.00 0.00 46.19 44.06 1uf0 s LEU 49 CO 0.25 -0.87 1.15 -0.55 0.23 0.00 0.00 176.35 176.55 1uf0 s SER 50 N 3.15 -0.12 0.00 2.29 0.15 -1.25 -4.40 113.70 113.52 1uf0 s SER 50 Ca 0.39 -0.14 0.00 0.00 0.70 0.00 0.00 55.95 56.89 1uf0 s SER 50 Cb -0.04 0.16 0.00 0.00 -1.71 0.00 0.00 66.02 64.43 1uf0 s SER 50 CO -0.04 -0.00 0.00 0.47 1.20 0.00 0.00 173.24 174.87 1uf0 n ASP 51 N 2.56 0.00 0.03 5.45 8.00 -1.24 -4.93 116.55 126.42 1uf0 n ASP 51 Ca 0.11 0.08 0.00 0.00 0.71 0.00 0.00 54.79 55.68 1uf0 n ASP 51 Cb 0.66 -0.26 0.00 0.00 -0.02 0.00 0.00 41.12 41.50 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 -1.81 -0.48 -0.13 -2.24 5.15 -1.26 -4.75 115.26 109.74 1uf0 n ASN 52 Ca 0.00 0.39 -0.10 0.00 -0.60 0.00 0.00 54.58 54.27 1uf0 n ASN 52 Cb 0.00 0.76 0.03 0.00 -0.53 0.00 0.00 39.78 40.04 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 1.27 0.00 3.44 2.07 -1.99 -2.99 116.25 118.06 1uf0 h VAL 53 Ca 0.00 -1.38 -0.00 0.00 0.82 0.00 0.00 66.70 66.14 1uf0 h VAL 53 Cb 0.00 1.16 0.00 0.00 -1.52 0.00 0.00 31.29 30.93 1uf0 h VAL 53 CO 0.00 0.47 -0.00 0.78 0.02 0.00 0.00 177.57 178.84 1uf0 h ASN 54 N 0.80 -0.00 -3.05 0.57 2.35 -1.93 -3.44 115.58 110.87 1uf0 h ASN 54 Ca 0.10 0.00 -0.60 0.00 -0.55 0.00 0.00 56.30 55.25 1uf0 h ASN 54 Cb 0.79 0.00 -0.40 0.00 0.05 0.00 0.00 38.32 38.76 1uf0 h ASN 54 CO 0.07 0.07 -0.79 -0.76 -1.65 0.00 0.00 177.43 174.37 1uf0 s LEU 55 N -4.64 2.37 0.35 1.61 1.43 -1.26 -4.95 118.68 113.59 1uf0 s LEU 55 Ca -0.00 -2.78 0.15 0.00 -1.03 0.00 0.00 54.13 50.47 1uf0 s LEU 55 Cb 0.00 -0.87 0.65 0.00 0.03 0.00 0.00 46.19 46.01 1uf0 s LEU 55 CO 0.00 -0.23 1.75 1.55 0.23 0.00 0.00 176.35 179.65 1uf0 h PRO 56 N 6.40 0.00 0.12 1.29 0.13 -1.82 -3.23 132.00 134.89 1uf0 h PRO 56 Ca 0.08 0.00 -0.28 0.00 -0.87 0.00 0.00 66.00 64.93 1uf0 h PRO 56 Cb 0.91 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.04 1uf0 h PRO 56 CO 0.45 0.43 -1.42 0.37 -0.23 0.00 0.00 178.00 177.60 1uf0 h GLN 57 N 0.00 0.25 0.00 0.86 5.75 -1.93 -3.47 115.11 116.58 1uf0 h GLN 57 Ca -0.00 -0.44 0.00 0.00 -0.15 0.00 0.00 58.65 58.06 1uf0 h GLN 57 Cb 0.83 0.16 0.00 0.00 1.07 0.00 0.00 27.48 29.54 1uf0 h GLN 57 CO 0.06 1.21 0.00 0.41 -2.65 0.00 0.00 178.83 177.85 1uf0 n GLY 58 N 1.75 0.46 2.65 2.39 0.00 -1.22 -5.04 105.19 106.17 1uf0 n GLY 58 Ca -0.25 -1.19 -0.22 0.00 0.00 0.00 0.00 46.02 44.36 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 -1.20 -0.10 -0.07 1.61 0.11 -1.26 -4.34 120.40 115.16 1uf0 s VAL 59 Ca 0.00 0.19 -0.01 0.00 -2.93 0.00 0.00 61.98 59.23 1uf0 s VAL 59 Cb 0.00 -0.32 -0.04 0.00 -1.53 0.00 0.00 36.38 34.49 1uf0 s VAL 59 CO 0.00 -0.01 -0.07 0.54 -3.33 0.00 0.00 175.10 172.23 1uf0 n ARG 60 N 5.29 0.15 -4.47 1.54 1.74 -0.76 -4.87 116.66 115.28 1uf0 n ARG 60 Ca -0.05 0.05 -0.32 0.00 -0.77 0.00 0.00 57.85 56.76 1uf0 n ARG 60 Cb 0.50 -0.94 -0.16 0.00 -1.02 0.00 0.00 32.46 30.83 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 -2.12 1.96 -0.22 0.55 2.01 -1.20 -5.04 115.64 111.57 1uf0 s THR 61 Ca -0.09 -0.91 -0.07 0.00 0.31 0.00 0.00 61.69 60.93 1uf0 s THR 61 Cb 0.03 -1.75 -0.03 0.00 0.01 0.00 0.00 72.50 70.75 1uf0 s THR 61 CO 0.13 0.53 0.05 -0.63 -0.69 0.00 0.00 174.62 174.01 1uf0 s ILE 62 N 0.99 4.31 0.31 1.82 1.01 -1.25 -1.74 121.20 126.65 1uf0 s ILE 62 Ca -0.03 -0.18 0.06 0.00 0.00 0.00 0.00 60.65 60.50 1uf0 s ILE 62 Cb -0.15 -2.98 -0.01 0.00 0.01 0.00 0.00 42.46 39.32 1uf0 s ILE 62 CO -0.05 0.38 0.43 -0.31 0.00 0.00 0.00 174.94 175.39 1uf0 s TYR 63 N 1.24 3.17 1.07 3.97 1.51 -0.06 0.68 117.35 128.94 1uf0 s TYR 63 Ca 0.04 -0.18 -0.15 0.00 -1.01 0.00 0.00 57.07 55.77 1uf0 s TYR 63 Cb -0.15 -1.89 0.23 0.00 -0.11 0.00 0.00 41.96 40.04 1uf0 s TYR 63 CO 0.03 0.10 1.11 0.95 -1.11 0.00 0.00 175.55 176.62 1uf0 s THR 64 N -2.14 1.86 0.29 -0.71 -4.23 -1.06 0.74 115.64 110.39 1uf0 s THR 64 Ca 0.42 0.00 0.06 0.00 -1.18 0.00 0.00 61.69 60.99 1uf0 s THR 64 Cb -0.09 -2.51 0.04 0.00 1.34 0.00 0.00 72.50 71.28 1uf0 s THR 64 CO 0.30 0.00 1.71 -0.29 -0.54 0.00 0.00 174.62 175.80 1uf0 h ILE 65 N -2.14 1.30 0.10 2.99 6.09 -1.73 -3.23 117.51 120.89 1uf0 h ILE 65 Ca -0.51 -1.46 -0.16 0.00 -1.37 0.00 0.00 64.86 61.36 1uf0 h ILE 65 Cb 1.32 1.62 0.01 0.00 0.47 0.00 0.00 36.82 40.24 1uf0 h ILE 65 CO 0.49 0.44 -0.75 0.44 -3.07 0.00 0.00 178.15 175.71 1uf0 h ASP 66 N 0.23 0.32 0.00 2.19 3.32 -1.92 -3.48 116.42 117.09 1uf0 h ASP 66 Ca 0.02 -0.93 0.00 0.00 0.02 0.00 0.00 57.03 56.15 1uf0 h ASP 66 Cb 0.78 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 40.23 1uf0 h ASP 66 CO 0.06 1.34 0.00 0.61 -1.72 0.00 0.00 179.24 179.54 1uf0 n GLY 67 N 1.66 0.68 1.01 2.75 0.00 -1.22 -4.93 105.19 105.14 1uf0 n GLY 67 Ca -0.16 -0.21 -0.00 0.00 0.00 0.00 0.00 46.02 45.65 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 1.13 -4.81 0.99 4.77 -1.26 -5.01 117.00 112.81 1uf0 n LEU 68 Ca 0.00 0.14 -0.22 0.00 -0.03 0.00 0.00 56.01 55.91 1uf0 n LEU 68 Cb 0.00 -0.35 -0.05 0.00 -2.33 0.00 0.00 43.42 40.70 1uf0 n LEU 68 CO 0.00 -0.74 -0.11 -0.54 -1.33 0.00 0.00 177.39 174.67 1uf0 s LYS 69 N -2.01 2.56 -0.12 3.23 1.02 -1.26 -5.02 119.74 118.14 1uf0 s LYS 69 Ca -0.01 -1.43 0.02 0.00 0.02 0.00 0.00 55.97 54.57 1uf0 s LYS 69 Cb 0.00 -2.34 -0.01 0.00 -0.52 0.00 0.00 37.83 34.96 1uf0 s LYS 69 CO 0.02 0.06 -0.18 -1.59 -0.92 0.00 0.00 175.35 172.74 1uf0 s LYS 70 N -3.96 3.24 -0.17 1.68 -2.85 -1.26 -2.56 119.74 113.86 1uf0 s LYS 70 Ca 0.41 -0.77 -0.29 0.00 -1.00 0.00 0.00 55.97 54.32 1uf0 s LYS 70 Cb -0.04 -2.49 -0.01 0.00 -2.06 0.00 0.00 37.83 33.23 1uf0 s LYS 70 CO 0.25 0.20 1.21 0.42 0.10 0.00 0.00 175.35 177.54 1uf0 s ILE 71 N 0.33 4.36 -0.12 3.79 -1.09 0.22 -4.88 121.20 123.81 1uf0 s ILE 71 Ca -0.14 1.65 0.02 0.00 -2.23 0.00 0.00 60.65 59.95 1uf0 s ILE 71 Cb -0.17 -4.07 -0.09 0.00 -1.58 0.00 0.00 42.46 36.56 1uf0 s ILE 71 CO 0.07 -0.13 -0.09 -0.24 -1.23 0.00 0.00 174.94 173.32 1uf0 n SER 72 N 6.39 2.93 -4.72 3.58 2.88 -1.26 -3.96 113.62 119.46 1uf0 n SER 72 Ca 0.13 -0.06 -0.29 0.00 -1.33 0.00 0.00 58.87 57.32 1uf0 n SER 72 Cb 0.45 -0.05 -0.08 0.00 -0.75 0.00 0.00 64.21 63.78 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 -5.08 4.12 0.10 -3.46 0.01 -1.26 -4.85 113.70 103.27 1uf0 s SER 73 Ca -0.15 -1.43 0.08 0.00 1.31 0.00 0.00 55.95 55.76 1uf0 s SER 73 Cb 0.04 0.02 -0.20 0.00 0.21 0.00 0.00 66.02 66.09 1uf0 s SER 73 CO 0.31 -0.68 1.19 -0.07 0.41 0.00 0.00 173.24 174.40 1uf0 h LEU 74 N 1.47 0.00 -1.59 2.44 3.38 -1.96 -3.29 115.31 115.76 1uf0 h LEU 74 Ca -0.43 0.00 0.04 0.00 0.09 0.00 0.00 57.88 57.58 1uf0 h LEU 74 Cb 1.28 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 42.00 1uf0 h LEU 74 CO 0.75 0.98 0.33 -0.78 0.09 0.00 0.00 178.44 179.80 1uf0 h ASP 75 N 0.00 0.45 0.07 -0.43 3.58 -2.01 -0.83 116.42 117.26 1uf0 h ASP 75 Ca -0.05 -0.00 -0.05 0.00 0.42 0.00 0.00 57.03 57.34 1uf0 h ASP 75 Cb 1.79 -0.10 -0.01 0.00 1.72 0.00 0.00 39.33 42.73 1uf0 h ASP 75 CO 0.12 0.31 -0.15 1.56 -2.88 0.00 0.00 179.24 178.20 1uf0 h GLN 76 N 0.52 0.17 -6.95 0.28 4.20 -1.99 -3.43 115.11 107.90 1uf0 h GLN 76 Ca 0.20 -0.04 -0.53 0.00 0.06 0.00 0.00 58.65 58.35 1uf0 h GLN 76 Cb 0.15 -0.02 0.09 0.00 0.30 0.00 0.00 27.48 27.99 1uf0 h GLN 76 CO -0.05 0.32 0.61 -0.51 -0.67 0.00 0.00 178.83 178.53 1uf0 s LEU 77 N -8.72 4.19 0.25 1.46 1.43 -0.32 -5.03 118.68 111.93 1uf0 s LEU 77 Ca -0.05 2.66 0.11 0.00 -1.03 0.00 0.00 54.13 55.82 1uf0 s LEU 77 Cb 0.15 -3.93 -0.05 0.00 0.03 0.00 0.00 46.19 42.40 1uf0 s LEU 77 CO 0.72 -0.90 -0.15 -0.69 0.23 0.00 0.00 176.35 175.56 1uf0 s VAL 78 N -1.27 2.74 -0.49 -1.59 1.01 -1.26 -5.04 120.40 114.50 1uf0 s VAL 78 Ca 0.58 -2.16 -0.28 0.00 0.00 0.00 0.00 61.98 60.12 1uf0 s VAL 78 Cb -0.38 -2.42 -0.01 0.00 0.00 0.00 0.00 36.38 33.57 1uf0 s VAL 78 CO 0.49 -0.32 1.70 -0.70 0.00 0.00 0.00 175.10 176.27 1uf0 s GLU 79 N -3.33 3.09 0.00 2.72 2.12 -1.26 -3.40 118.70 118.64 1uf0 s GLU 79 Ca 0.28 0.87 0.00 0.00 0.36 0.00 0.00 54.97 56.48 1uf0 s GLU 79 Cb -0.06 -4.23 0.00 0.00 0.26 0.00 0.00 34.13 30.09 1uf0 s GLU 79 CO 0.15 -2.16 0.00 0.41 -0.54 0.00 0.00 175.26 173.12 1uf0 n GLY 80 N 5.45 0.66 3.20 -1.50 0.00 -1.11 -4.94 105.19 106.94 1uf0 n GLY 80 Ca 0.19 -0.35 -0.13 0.00 0.00 0.00 0.00 46.02 45.73 1uf0 n GLY 80 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1uf0 s GLU 81 N -1.09 0.92 0.05 1.61 0.41 -1.22 -5.06 118.70 114.32 1uf0 s GLU 81 Ca 0.00 -1.32 0.07 0.00 -0.41 0.00 0.00 54.97 53.32 1uf0 s GLU 81 Cb 0.00 -0.47 -0.03 0.00 -1.78 0.00 0.00 34.13 31.85 1uf0 s GLU 81 CO 0.00 0.05 -0.19 -1.12 -0.49 0.00 0.00 175.26 173.51 1uf0 s SER 82 N -2.88 3.75 0.08 -0.19 0.01 -1.26 -1.43 113.70 111.77 1uf0 s SER 82 Ca 0.11 -0.45 -0.07 0.00 1.31 0.00 0.00 55.95 56.85 1uf0 s SER 82 Cb 0.01 -0.57 -0.01 0.00 0.21 0.00 0.00 66.02 65.66 1uf0 s SER 82 CO -0.01 0.25 0.15 -0.31 0.41 0.00 0.00 173.24 173.73 1uf0 s TYR 83 N -0.93 0.21 -0.13 2.43 1.51 0.36 -2.04 117.35 118.75 1uf0 s TYR 83 Ca 0.15 -0.64 -0.03 0.00 -1.01 0.00 0.00 57.07 55.53 1uf0 s TYR 83 Cb -0.10 -0.11 -0.03 0.00 -0.11 0.00 0.00 41.96 41.60 1uf0 s TYR 83 CO 0.05 -0.51 -0.01 0.08 -1.11 0.00 0.00 175.55 174.06 1uf0 s VAL 84 N -3.78 4.20 -0.19 0.71 1.01 0.23 -1.12 120.40 121.45 1uf0 s VAL 84 Ca 0.05 -0.27 -0.21 0.00 0.00 0.00 0.00 61.98 61.55 1uf0 s VAL 84 Cb 0.05 -2.81 -0.03 0.00 0.00 0.00 0.00 36.38 33.59 1uf0 s VAL 84 CO -0.10 0.54 0.63 0.00 0.00 0.00 0.00 175.10 176.17 1uf0 s GLY 86 N 1.18 2.54 0.00 0.00 0.00 -0.71 -3.06 107.32 107.26 1uf0 s GLY 86 Ca 0.29 -1.50 0.00 0.00 0.00 0.00 0.00 44.72 43.51 1uf0 s GLY 86 CO 0.11 -1.98 0.00 -1.26 0.00 0.00 0.00 173.10 169.97 1uf0 n SER 87 N -1.04 0.00 -1.20 1.64 2.88 -1.26 -1.83 113.62 112.82 1uf0 n SER 87 Ca -0.08 0.00 0.03 0.00 -1.33 0.00 0.00 58.87 57.49 1uf0 n SER 87 Cb 0.66 0.00 0.11 0.00 -0.75 0.00 0.00 64.21 64.23 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 -1.77 1.19 -4.15 2.46 -5.35 -1.26 -4.61 119.36 105.88 1uf0 n ILE 88 Ca 0.00 -2.28 -0.12 0.00 -0.27 0.00 0.00 62.75 60.08 1uf0 n ILE 88 Cb 0.00 0.35 -0.10 0.00 -1.74 0.00 0.00 39.64 38.14 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 -1.85 0.76 0.04 6.28 1.03 -1.26 -5.17 118.70 118.54 1uf0 s GLU 89 Ca 0.36 -1.16 -0.01 0.00 0.03 0.00 0.00 54.97 54.20 1uf0 s GLU 89 Cb 0.38 -0.29 0.01 0.00 -0.80 0.00 0.00 34.13 33.43 1uf0 s GLU 89 CO -0.11 0.02 0.04 -0.35 -1.33 0.00 0.00 175.26 173.53 1uf0 n PRO 90 N 0.44 -1.27 -3.34 -4.83 -0.04 -1.26 -4.96 135.00 119.74 1uf0 n PRO 90 Ca -0.15 -0.06 -0.38 0.00 -0.04 0.00 0.00 63.50 62.87 1uf0 n PRO 90 Cb 0.59 -0.06 -0.06 0.00 -0.04 0.00 0.00 33.50 33.93 1uf0 n PRO 90 CO 0.00 0.00 0.00 0.12 -0.04 0.00 0.00 175.50 175.58 1uf0 s PHE 91 N -1.06 3.46 -0.18 0.54 5.36 -1.26 -5.00 117.98 119.84 1uf0 s PHE 91 Ca 0.02 0.79 -0.04 0.00 -0.96 0.00 0.00 56.93 56.74 1uf0 s PHE 91 Cb -0.00 -2.54 -0.02 0.00 -0.34 0.00 0.00 43.02 40.11 1uf0 s PHE 91 CO 0.02 0.10 -0.03 0.15 -1.46 0.00 0.00 175.22 174.00 1uf0 s LYS 92 N 0.88 3.60 -0.59 10.12 1.02 -1.26 -5.07 119.74 128.44 1uf0 s LYS 92 Ca 0.23 -0.54 -0.26 0.00 0.02 0.00 0.00 55.97 55.42 1uf0 s LYS 92 Cb -0.15 -2.97 0.04 0.00 -0.52 0.00 0.00 37.83 34.23 1uf0 s LYS 92 CO 0.09 0.11 1.07 0.21 -0.92 0.00 0.00 175.35 175.90 1uf0 s LYS 93 N 0.72 3.37 0.06 1.68 2.36 -1.26 -4.80 119.74 121.87 1uf0 s LYS 93 Ca -0.01 -0.10 0.03 0.00 -2.55 0.00 0.00 55.97 53.34 1uf0 s LYS 93 Cb -0.14 -4.06 -0.03 0.00 -1.05 0.00 0.00 37.83 32.55 1uf0 s LYS 93 CO 0.02 -1.64 -0.10 -0.51 1.55 0.00 0.00 175.35 174.67 1uf0 s LEU 94 N 4.50 2.28 -0.87 5.43 1.43 -1.26 -5.07 118.68 125.12 1uf0 s LEU 94 Ca 0.35 -0.60 -0.25 0.00 -1.03 0.00 0.00 54.13 52.60 1uf0 s LEU 94 Cb -0.10 -0.29 -0.06 0.00 0.03 0.00 0.00 46.19 45.76 1uf0 s LEU 94 CO 0.21 -0.17 2.04 -1.61 0.23 0.00 0.00 176.35 177.04 1uf0 s GLU 95 N -1.78 2.36 -0.17 1.70 8.01 -1.26 -4.73 118.70 122.83 1uf0 s GLU 95 Ca -0.06 -0.10 -0.14 0.00 0.01 0.00 0.00 54.97 54.69 1uf0 s GLU 95 Cb -0.09 -4.99 -0.09 0.00 -4.31 0.00 0.00 34.13 24.66 1uf0 s GLU 95 CO 0.01 -3.58 -0.04 1.88 0.01 0.00 0.00 175.26 173.55 1uf0 h TYR 96 N 11.73 0.00 0.00 1.61 0.05 -1.92 -3.39 116.97 125.05 1uf0 h TYR 96 Ca 0.07 0.00 -0.02 0.00 0.05 0.00 0.00 58.73 58.82 1uf0 h TYR 96 Cb 1.01 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.75 1uf0 h TYR 96 CO 1.20 0.55 -0.11 1.79 -1.05 0.00 0.00 178.16 180.54 1uf0 h THR 97 N -1.00 0.26 -0.70 -2.88 1.35 -1.92 -3.09 112.91 104.94 1uf0 h THR 97 Ca -0.13 -0.87 0.19 0.00 -0.55 0.00 0.00 66.41 65.05 1uf0 h THR 97 Cb 0.80 1.70 -0.03 0.00 -1.73 0.00 0.00 68.15 68.88 1uf0 h THR 97 CO -0.08 0.11 0.49 0.50 -0.25 0.00 0.00 175.52 176.29 1uf0 h LYS 98 N 0.00 0.05 -0.54 4.72 3.64 -1.93 0.26 116.57 122.77 1uf0 h LYS 98 Ca -0.00 -0.00 -0.23 0.00 -1.27 0.00 0.00 60.65 59.14 1uf0 h LYS 98 Cb 0.69 -0.01 -0.14 0.00 -0.41 0.00 0.00 32.23 32.36 1uf0 h LYS 98 CO 0.01 0.04 0.15 0.27 -2.27 0.00 0.00 179.45 177.65 1uf0 n ASN 99 N -4.36 3.32 -4.02 4.20 0.23 -1.17 -4.95 115.26 108.52 1uf0 n ASN 99 Ca 0.14 -3.54 -0.23 0.00 -0.53 0.00 0.00 54.58 50.42 1uf0 n ASN 99 Cb 0.73 -0.68 -0.16 0.00 -2.08 0.00 0.00 39.78 37.59 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 -3.16 1.01 0.00 3.53 1.01 0.90 -4.94 120.40 118.75 1uf0 s VAL 100 Ca 0.49 -0.45 -0.29 0.00 0.00 0.00 0.00 61.98 61.73 1uf0 s VAL 100 Cb 0.42 -0.90 -0.03 0.00 0.00 0.00 0.00 36.38 35.86 1uf0 s VAL 100 CO 0.06 0.31 0.94 0.21 0.00 0.00 0.00 175.10 176.62 1uf0 s ASN 101 N 0.39 7.33 1.30 3.32 3.84 -1.26 -4.94 114.94 124.92 1uf0 s ASN 101 Ca -0.08 1.61 -0.22 0.00 0.21 0.00 0.00 52.86 54.38 1uf0 s ASN 101 Cb -0.12 -2.55 0.32 0.00 -0.55 0.00 0.00 41.25 38.35 1uf0 s ASN 101 CO 0.02 -0.21 1.07 -2.16 -2.79 0.00 0.00 177.10 173.03 1uf0 s PRO 102 N 0.85 -1.97 -0.97 0.43 0.04 -1.26 -4.41 135.00 127.70 1uf0 s PRO 102 Ca 0.49 -0.17 -0.02 0.00 0.04 0.00 0.00 61.00 61.34 1uf0 s PRO 102 Cb -0.21 -1.52 0.00 0.00 0.04 0.00 0.00 34.50 32.82 1uf0 s PRO 102 CO 0.27 -4.19 0.82 -1.71 0.04 0.00 0.00 177.00 172.24 1uf0 n ASN 103 N -5.08 -3.03 -0.07 6.66 5.15 -1.26 -4.94 115.26 112.69 1uf0 n ASN 103 Ca 0.15 -0.47 -0.07 0.00 -0.60 0.00 0.00 54.58 53.59 1uf0 n ASN 103 Cb 0.60 -4.09 -0.10 0.00 -0.53 0.00 0.00 39.78 35.66 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 -3.74 0.00 -1.51 1.20 4.27 -1.26 -4.55 117.44 111.84 1uf0 n TRP 104 Ca -0.16 0.00 -0.23 0.00 -3.89 0.00 0.00 57.50 53.23 1uf0 n TRP 104 Cb 0.61 -0.65 0.11 0.00 -1.36 0.00 0.00 31.31 30.02 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 -2.58 5.02 -0.07 -0.67 2.88 -1.26 -4.52 113.62 112.43 1uf0 n SER 105 Ca -0.23 -3.76 -0.13 0.00 -1.33 0.00 0.00 58.87 53.43 1uf0 n SER 105 Cb 0.91 -0.72 -0.05 0.00 -0.75 0.00 0.00 64.21 63.60 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 -0.96 0.76 -3.44 2.46 0.31 -1.26 -4.72 118.33 111.47 1uf0 n VAL 106 Ca 0.50 -0.23 -0.44 0.00 -0.01 0.00 0.00 64.34 64.16 1uf0 n VAL 106 Cb 1.00 -1.41 -0.05 0.00 -0.91 0.00 0.00 33.84 32.47 1uf0 n VAL 106 CO 0.00 0.00 0.00 0.20 -1.32 0.00 0.00 176.83 175.71 1uf0 s ASN 107 N -5.87 6.16 -0.84 4.52 -0.87 -1.26 -5.01 114.94 111.77 1uf0 s ASN 107 Ca -0.19 -2.38 -0.26 0.00 -1.57 0.00 0.00 52.86 48.47 1uf0 s ASN 107 Cb 0.06 -2.11 -0.11 0.00 -0.02 0.00 0.00 41.25 39.07 1uf0 s ASN 107 CO 0.27 -0.62 2.25 -0.69 -2.57 0.00 0.00 177.10 175.74 1uf0 s VAL 108 N 0.66 3.15 -0.08 1.60 1.01 -1.26 -4.92 120.40 120.57 1uf0 s VAL 108 Ca 0.12 -0.13 -0.23 0.00 0.00 0.00 0.00 61.98 61.74 1uf0 s VAL 108 Cb -0.19 -3.38 -0.04 0.00 0.00 0.00 0.00 36.38 32.77 1uf0 s VAL 108 CO -0.04 -0.32 0.66 -0.75 0.00 0.00 0.00 175.10 174.66 1uf0 s LYS 109 N 8.27 4.42 0.00 2.72 2.36 -1.26 -4.71 119.74 131.54 1uf0 s LYS 109 Ca 0.85 0.81 0.00 0.00 -2.55 0.00 0.00 55.97 55.08 1uf0 s LYS 109 Cb -0.11 -3.45 0.00 0.00 -1.05 0.00 0.00 37.83 33.23 1uf0 s LYS 109 CO 0.06 0.08 0.00 0.25 1.55 0.00 0.00 175.35 177.28 1uf0 n THR 110 N 3.77 0.00 -3.74 3.43 -2.24 -1.26 -5.14 114.28 109.10 1uf0 n THR 110 Ca -0.02 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.64 1uf0 n THR 110 Cb 0.51 0.00 -0.11 0.00 -2.10 0.00 0.00 70.33 68.63 1uf0 n THR 110 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1uf0 s SER 111 N -1.14 -0.36 0.00 3.42 0.15 -1.26 -5.12 113.70 109.39 1uf0 s SER 111 Ca 0.00 0.68 0.00 0.00 0.70 0.00 0.00 55.95 57.33 1uf0 s SER 111 Cb 0.00 0.63 0.00 0.00 -1.71 0.00 0.00 66.02 64.94 1uf0 s SER 111 CO 0.00 -0.14 0.00 0.61 1.20 0.00 0.00 173.24 174.91 1uf0 n GLY 112 N 3.55 -0.29 0.00 9.45 0.00 -1.26 -5.16 105.19 111.48 1uf0 n GLY 112 Ca -0.18 0.42 0.00 0.00 0.00 0.00 0.00 46.02 46.25 1uf0 n GLY 112 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1uf0 n PRO 113 N 0.00 -0.69 -1.32 1.61 -0.04 -1.26 -4.94 135.00 128.35 1uf0 n PRO 113 Ca 0.00 0.00 0.04 0.00 -0.04 0.00 0.00 63.50 63.50 1uf0 n PRO 113 Cb 0.00 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 33.44 1uf0 n PRO 113 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1uf0 n SER 114 N -2.27 -7.15 0.08 3.54 7.64 -1.26 -4.84 113.62 109.36 1uf0 n SER 114 Ca 0.00 1.53 -0.03 0.00 1.01 0.00 0.00 58.87 61.38 1uf0 n SER 114 Cb 0.00 -4.24 -0.02 0.00 -1.01 0.00 0.00 64.21 58.94 1uf0 n SER 114 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 1uf0 h SER 115 N -0.18 -0.19 0.00 6.43 0.02 -2.08 -3.54 113.55 114.01 1uf0 h SER 115 Ca -0.04 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.91 1uf0 h SER 115 Cb 0.92 0.05 0.00 0.00 0.14 0.00 0.00 62.40 63.51 1uf0 h SER 115 CO 0.02 -0.03 0.00 0.61 -1.14 0.00 0.00 176.83 176.29