#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 0.10 -4.73 1.61 3.41 -1.26 -5.05 113.62 107.69 1uf0 n SER 2 Ca 0.00 0.02 -0.35 0.00 -0.26 0.00 0.00 58.87 58.28 1uf0 n SER 2 Cb 0.00 -0.02 -0.09 0.00 -0.26 0.00 0.00 64.21 63.84 1uf0 n SER 2 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1uf0 s SER 3 N -5.09 5.60 0.00 4.04 1.04 -1.26 -4.63 113.70 113.41 1uf0 s SER 3 Ca 0.00 0.22 0.00 0.00 0.48 0.00 0.00 55.95 56.65 1uf0 s SER 3 Cb 0.00 -1.71 0.00 0.00 0.10 0.00 0.00 66.02 64.41 1uf0 s SER 3 CO 0.00 0.36 0.00 0.61 0.98 0.00 0.00 173.24 175.19 1uf0 n GLY 4 N 2.31 3.75 3.47 7.32 0.00 -1.26 -5.06 105.19 115.71 1uf0 n GLY 4 Ca -0.19 -0.78 -0.43 0.00 0.00 0.00 0.00 46.02 44.62 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 0.00 6.23 0.60 1.61 0.01 -1.26 -5.03 113.70 115.85 1uf0 s SER 5 Ca 0.00 -0.81 -0.16 0.00 1.31 0.00 0.00 55.95 56.29 1uf0 s SER 5 Cb 0.00 -2.40 -0.03 0.00 0.21 0.00 0.00 66.02 63.80 1uf0 s SER 5 CO 0.00 -1.28 1.06 -0.55 0.41 0.00 0.00 173.24 172.88 1uf0 s SER 6 N 3.28 5.75 0.22 2.44 0.15 -1.26 -5.06 113.70 119.23 1uf0 s SER 6 Ca 0.23 1.82 0.05 0.00 0.70 0.00 0.00 55.95 58.75 1uf0 s SER 6 Cb -0.16 -2.53 -0.03 0.00 -1.71 0.00 0.00 66.02 61.58 1uf0 s SER 6 CO 0.13 -1.19 0.30 -0.83 1.20 0.00 0.00 173.24 172.85 1uf0 s GLY 7 N -2.80 1.36 -0.01 9.45 0.00 -1.26 -4.90 107.32 109.16 1uf0 s GLY 7 Ca 0.64 -1.23 -0.02 0.00 0.00 0.00 0.00 44.72 44.11 1uf0 s GLY 7 CO 0.37 -1.25 0.04 0.28 0.00 0.00 0.00 173.10 172.54 1uf0 n LYS 8 N -1.16 -5.14 -3.52 2.90 5.02 -1.26 -5.06 118.16 109.93 1uf0 n LYS 8 Ca -0.08 3.75 -0.04 0.00 -2.02 0.00 0.00 58.31 59.91 1uf0 n LYS 8 Cb 0.57 -4.79 -0.06 0.00 -0.02 0.00 0.00 35.03 30.73 1uf0 n LYS 8 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 1uf0 s LYS 9 N -0.63 0.46 -0.06 1.97 2.20 -1.26 -5.15 119.74 117.26 1uf0 s LYS 9 Ca -0.04 1.11 0.04 0.00 -0.36 0.00 0.00 55.97 56.72 1uf0 s LYS 9 Cb 0.00 0.45 -0.00 0.00 -1.51 0.00 0.00 37.83 36.77 1uf0 s LYS 9 CO 0.11 -0.35 -0.19 0.00 -0.36 0.00 0.00 175.35 174.56 1uf0 s ALA 10 N 2.75 1.72 -0.35 3.13 0.00 -1.26 -4.56 121.76 123.19 1uf0 s ALA 10 Ca 0.03 -0.76 -0.20 0.00 0.00 0.00 0.00 51.96 51.02 1uf0 s ALA 10 Cb -0.13 -0.60 0.00 0.00 0.00 0.00 0.00 23.12 22.39 1uf0 s ALA 10 CO -0.17 0.28 0.63 0.15 0.00 0.00 0.00 175.76 176.65 1uf0 s LYS 11 N 0.16 3.69 -0.24 0.00 1.02 -0.97 -4.78 119.74 118.63 1uf0 s LYS 11 Ca -0.08 0.06 -0.29 0.00 0.02 0.00 0.00 55.97 55.68 1uf0 s LYS 11 Cb -0.14 -3.80 -0.02 0.00 -0.52 0.00 0.00 37.83 33.35 1uf0 s LYS 11 CO 0.04 -0.72 1.48 0.15 -0.92 0.00 0.00 175.35 175.38 1uf0 s LYS 12 N 2.68 3.89 -0.01 1.68 -0.14 -1.26 -1.94 119.74 124.65 1uf0 s LYS 12 Ca 0.24 1.54 0.04 0.00 -1.36 0.00 0.00 55.97 56.43 1uf0 s LYS 12 Cb -0.15 -3.96 -0.01 0.00 -1.68 0.00 0.00 37.83 32.04 1uf0 s LYS 12 CO 0.14 -1.16 -0.12 0.14 -0.76 0.00 0.00 175.35 173.59 1uf0 s VAL 13 N 4.71 0.94 -0.16 3.17 -7.23 -0.60 0.45 120.40 121.68 1uf0 s VAL 13 Ca 0.65 -0.54 -0.03 0.00 -1.81 0.00 0.00 61.98 60.25 1uf0 s VAL 13 Cb -0.22 -0.79 -0.02 0.00 0.56 0.00 0.00 36.38 35.90 1uf0 s VAL 13 CO 0.26 0.24 -0.04 -0.60 -0.31 0.00 0.00 175.10 174.65 1uf0 s ARG 14 N -0.34 3.62 -0.21 4.82 3.52 -0.39 -0.01 118.95 129.97 1uf0 s ARG 14 Ca 0.04 -0.54 -0.04 0.00 -0.13 0.00 0.00 55.73 55.06 1uf0 s ARG 14 Cb -0.05 -2.90 -0.01 0.00 -1.56 0.00 0.00 34.95 30.43 1uf0 s ARG 14 CO -0.00 0.20 -0.04 -0.06 -0.81 0.00 0.00 175.30 174.59 1uf0 s PHE 15 N 0.45 2.97 0.57 5.12 0.08 -0.38 0.33 117.98 127.12 1uf0 s PHE 15 Ca -0.04 -0.80 0.07 0.00 0.12 0.00 0.00 56.93 56.27 1uf0 s PHE 15 Cb -0.14 -2.09 0.07 0.00 -0.57 0.00 0.00 43.02 40.29 1uf0 s PHE 15 CO 0.03 -0.46 0.56 0.71 -0.10 0.00 0.00 175.22 175.97 1uf0 s TYR 16 N 1.31 1.39 -0.24 0.36 2.02 -0.29 -2.66 117.35 119.24 1uf0 s TYR 16 Ca 0.04 -0.84 -0.07 0.00 -0.37 0.00 0.00 57.07 55.83 1uf0 s TYR 16 Cb -0.14 -2.00 -0.03 0.00 -0.40 0.00 0.00 41.96 39.39 1uf0 s TYR 16 CO -0.01 -0.80 0.06 0.50 -1.57 0.00 0.00 175.55 173.73 1uf0 s ARG 17 N -4.46 3.67 -0.34 -0.62 3.52 -1.26 -1.76 118.95 117.70 1uf0 s ARG 17 Ca 0.43 -0.47 -0.29 0.00 -0.13 0.00 0.00 55.73 55.27 1uf0 s ARG 17 Cb -0.03 -3.28 -0.01 0.00 -1.56 0.00 0.00 34.95 30.06 1uf0 s ARG 17 CO 0.28 -0.13 1.64 1.21 -0.81 0.00 0.00 175.30 177.48 1uf0 s ASN 18 N 1.44 6.12 0.00 -2.12 2.47 -1.17 -2.54 114.94 119.14 1uf0 s ASN 18 Ca 0.05 1.17 0.00 0.00 0.42 0.00 0.00 52.86 54.51 1uf0 s ASN 18 Cb -0.15 -2.53 0.00 0.00 -1.45 0.00 0.00 41.25 37.12 1uf0 s ASN 18 CO 0.03 -1.55 0.00 0.61 -3.72 0.00 0.00 177.10 172.47 1uf0 n GLY 19 N 5.20 0.95 3.60 1.21 0.00 -1.26 -4.86 105.19 110.04 1uf0 n GLY 19 Ca 0.20 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.93 5.08 -0.10 1.61 2.15 -1.05 -4.99 116.67 118.44 1uf0 s ASP 20 Ca 0.00 0.03 0.11 0.00 0.43 0.00 0.00 52.55 53.12 1uf0 s ASP 20 Cb 0.00 -1.61 -0.16 0.00 -0.30 0.00 0.00 42.92 40.85 1uf0 s ASP 20 CO 0.00 0.28 0.08 -2.11 -0.17 0.00 0.00 175.17 173.25 1uf0 n ARG 21 N 2.80 1.76 0.16 4.34 0.00 -1.26 -4.47 116.66 119.98 1uf0 n ARG 21 Ca -0.18 -0.02 0.17 0.00 -0.00 0.00 0.00 57.85 57.82 1uf0 n ARG 21 Cb 0.53 -1.31 0.77 0.00 -0.00 0.00 0.00 32.46 32.45 1uf0 n ARG 21 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.63 179.51 1uf0 h TYR 22 N 0.00 0.00 -3.81 2.89 -1.99 -1.94 -3.43 116.97 108.69 1uf0 h TYR 22 Ca -0.28 0.00 -0.56 0.00 2.00 0.00 0.00 58.73 59.89 1uf0 h TYR 22 Cb 1.56 0.00 0.15 0.00 2.00 0.00 0.00 36.73 40.44 1uf0 h TYR 22 CO 0.00 0.00 0.44 0.34 -0.00 0.00 0.00 178.16 178.94 1uf0 n PHE 23 N -4.00 1.83 -0.04 4.88 7.35 -1.26 -4.94 117.46 121.28 1uf0 n PHE 23 Ca 0.03 0.45 -0.10 0.00 -0.76 0.00 0.00 57.45 57.07 1uf0 n PHE 23 Cb 0.38 -2.29 -0.14 0.00 0.35 0.00 0.00 39.48 37.77 1uf0 n PHE 23 CO 0.00 0.00 0.00 1.63 -0.76 0.00 0.00 176.76 177.63 1uf0 n LYS 24 N -0.91 0.66 0.00 -4.13 4.01 -1.26 -4.97 118.16 111.56 1uf0 n LYS 24 Ca 0.11 0.22 0.00 0.00 -0.51 0.00 0.00 58.31 58.13 1uf0 n LYS 24 Cb 0.45 -1.72 0.00 0.00 -0.51 0.00 0.00 35.03 33.25 1uf0 n LYS 24 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1uf0 n GLY 25 N 1.66 2.71 3.49 0.72 0.00 -1.26 -4.82 105.19 107.70 1uf0 n GLY 25 Ca -0.23 -1.65 -0.33 0.00 0.00 0.00 0.00 46.02 43.82 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 -1.48 3.11 0.34 -0.61 2.07 -1.09 -4.98 121.20 118.57 1uf0 s ILE 26 Ca 0.00 -0.77 -0.06 0.00 -1.41 0.00 0.00 60.65 58.41 1uf0 s ILE 26 Cb 0.00 -2.24 -0.05 0.00 0.13 0.00 0.00 42.46 40.29 1uf0 s ILE 26 CO 0.00 0.54 0.63 -0.69 -1.91 0.00 0.00 174.94 173.51 1uf0 s VAL 27 N -0.78 4.96 -0.00 4.00 1.01 -1.26 -1.25 120.40 127.07 1uf0 s VAL 27 Ca 0.12 0.16 -0.05 0.00 0.00 0.00 0.00 61.98 62.21 1uf0 s VAL 27 Cb -0.11 -3.76 -0.00 0.00 0.00 0.00 0.00 36.38 32.51 1uf0 s VAL 27 CO 0.02 -0.45 0.10 -0.31 0.00 0.00 0.00 175.10 174.46 1uf0 s TYR 28 N -2.24 0.05 -0.44 5.22 1.51 0.99 -4.92 117.35 117.51 1uf0 s TYR 28 Ca 0.46 -0.12 0.04 0.00 -1.01 0.00 0.00 57.07 56.44 1uf0 s TYR 28 Cb -0.10 -0.06 0.12 0.00 -0.11 0.00 0.00 41.96 41.81 1uf0 s TYR 28 CO 0.32 -0.22 0.17 0.00 -1.11 0.00 0.00 175.55 174.71 1uf0 s ALA 29 N -1.10 3.08 -0.83 3.71 0.00 -1.26 -1.55 121.76 123.81 1uf0 s ALA 29 Ca -0.12 -2.93 -0.25 0.00 0.00 0.00 0.00 51.96 48.66 1uf0 s ALA 29 Cb -0.07 -2.07 -0.07 0.00 0.00 0.00 0.00 23.12 20.92 1uf0 s ALA 29 CO 0.01 -1.88 2.08 0.42 0.00 0.00 0.00 175.76 176.39 1uf0 s ILE 30 N 0.24 3.31 0.15 0.00 -1.09 -0.82 -4.76 121.20 118.24 1uf0 s ILE 30 Ca 0.14 -0.21 0.10 0.00 -2.23 0.00 0.00 60.65 58.46 1uf0 s ILE 30 Cb -0.23 -3.70 -0.04 0.00 -1.58 0.00 0.00 42.46 36.91 1uf0 s ILE 30 CO -0.04 -0.66 -0.22 -0.55 -1.23 0.00 0.00 174.94 172.24 1uf0 s SER 31 N 8.96 3.57 0.25 3.58 0.15 -1.26 -2.29 113.70 126.66 1uf0 s SER 31 Ca 0.77 -0.72 -0.03 0.00 0.70 0.00 0.00 55.95 56.66 1uf0 s SER 31 Cb -0.09 -0.35 0.47 0.00 -1.71 0.00 0.00 66.02 64.33 1uf0 s SER 31 CO 0.05 0.16 1.76 -0.65 1.20 0.00 0.00 173.24 175.75 1uf0 h PRO 32 N 3.56 0.57 0.23 5.44 0.11 -1.81 0.66 132.00 140.76 1uf0 h PRO 32 Ca -0.49 -0.03 -0.33 0.00 0.11 0.00 0.00 66.00 65.26 1uf0 h PRO 32 Cb 1.18 -0.13 0.03 0.00 0.11 0.00 0.00 31.00 32.20 1uf0 h PRO 32 CO 0.45 0.38 -1.45 -0.44 -0.21 0.00 0.00 178.00 176.72 1uf0 h ASP 33 N 0.59 0.77 -0.68 -2.05 5.19 -1.97 -3.31 116.42 114.95 1uf0 h ASP 33 Ca 0.42 -0.83 -0.08 0.00 -0.62 0.00 0.00 57.03 55.93 1uf0 h ASP 33 Cb 0.57 -0.25 -0.03 0.00 0.18 0.00 0.00 39.33 39.80 1uf0 h ASP 33 CO -0.34 1.65 0.12 0.03 -3.12 0.00 0.00 179.24 177.57 1uf0 h ARG 34 N 0.13 1.13 -2.95 3.56 3.08 -1.74 -3.42 114.38 114.18 1uf0 h ARG 34 Ca -0.24 -0.30 -0.23 0.00 0.07 0.00 0.00 59.98 59.28 1uf0 h ARG 34 Cb 2.14 -0.13 -0.33 0.00 0.08 0.00 0.00 29.97 31.72 1uf0 h ARG 34 CO 0.26 1.03 -0.56 -0.06 -1.07 0.00 0.00 179.97 179.57 1uf0 s PHE 35 N -5.22 -0.34 -0.09 3.04 0.08 0.22 -4.91 117.98 110.77 1uf0 s PHE 35 Ca -0.12 0.85 -0.26 0.00 0.12 0.00 0.00 56.93 57.52 1uf0 s PHE 35 Cb 0.14 -0.09 -0.22 0.00 -0.57 0.00 0.00 43.02 42.28 1uf0 s PHE 35 CO 0.85 -0.31 0.91 -0.09 -0.10 0.00 0.00 175.22 176.48 1uf0 h ARG 36 N 8.17 -0.02 0.00 0.44 1.12 -1.78 -3.37 114.38 118.93 1uf0 h ARG 36 Ca -0.17 0.00 -0.36 0.00 -1.11 0.00 0.00 59.98 58.34 1uf0 h ARG 36 Cb 1.12 0.01 -0.09 0.00 -0.01 0.00 0.00 29.97 30.99 1uf0 h ARG 36 CO 0.17 0.71 -0.34 -1.13 -3.11 0.00 0.00 179.97 176.27 1uf0 n SER 37 N -4.73 -0.62 0.10 -3.80 3.41 -1.26 -5.02 113.62 101.70 1uf0 n SER 37 Ca -0.09 -2.70 0.05 0.00 -0.26 0.00 0.00 58.87 55.87 1uf0 n SER 37 Cb 0.37 1.40 0.49 0.00 -0.26 0.00 0.00 64.21 66.21 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 1.84 0.32 -0.66 7.33 3.57 -1.94 -2.16 116.94 125.24 1uf0 h PHE 38 Ca -0.19 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.31 1uf0 h PHE 38 Cb 0.94 -0.11 -0.03 0.00 2.79 0.00 0.00 35.95 39.55 1uf0 h PHE 38 CO 0.00 0.22 0.40 0.93 -2.23 0.00 0.00 178.31 177.63 1uf0 h GLU 39 N 0.34 0.90 -0.56 1.11 5.08 -1.98 -0.06 114.58 119.41 1uf0 h GLU 39 Ca 0.09 -0.08 -0.03 0.00 -1.00 0.00 0.00 59.36 58.34 1uf0 h GLU 39 Cb -0.01 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.03 1uf0 h GLU 39 CO -0.02 0.64 0.23 0.00 -1.00 0.00 0.00 179.01 178.86 1uf0 h ALA 40 N 1.21 0.73 -0.50 3.43 0.00 -1.80 -1.94 119.26 120.38 1uf0 h ALA 40 Ca 0.24 -0.16 -0.07 0.00 0.00 0.00 0.00 54.91 54.92 1uf0 h ALA 40 Cb -0.03 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 1uf0 h ALA 40 CO -0.04 0.34 0.04 1.25 0.00 0.00 0.00 179.25 180.83 1uf0 h LEU 41 N 0.77 0.84 -1.10 0.00 5.85 -1.27 -2.85 115.31 117.55 1uf0 h LEU 41 Ca 0.19 -0.29 0.00 0.00 0.84 0.00 0.00 57.88 58.62 1uf0 h LEU 41 Cb 0.19 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 40.96 1uf0 h LEU 41 CO -0.02 0.92 0.55 -0.07 -0.34 0.00 0.00 178.44 179.49 1uf0 h LEU 42 N 0.74 1.02 -0.51 2.25 3.38 -0.81 -0.35 115.31 121.02 1uf0 h LEU 42 Ca 0.15 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.07 1uf0 h LEU 42 Cb 0.47 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.94 1uf0 h LEU 42 CO 0.02 0.76 0.29 0.00 0.09 0.00 0.00 178.44 179.60 1uf0 h ALA 43 N 1.42 0.65 -0.27 1.53 0.00 -1.15 -1.54 119.26 119.91 1uf0 h ALA 43 Ca 0.32 -0.08 -0.15 0.00 0.00 0.00 0.00 54.91 55.00 1uf0 h ALA 43 Cb -0.10 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 1uf0 h ALA 43 CO -0.06 0.15 -0.43 -0.44 0.00 0.00 0.00 179.25 178.47 1uf0 h ASP 44 N 0.68 0.71 -0.09 0.00 3.32 -1.23 -2.88 116.42 116.93 1uf0 h ASP 44 Ca 0.18 -0.33 0.00 0.00 0.02 0.00 0.00 57.03 56.90 1uf0 h ASP 44 Cb 0.02 -0.20 -0.00 0.00 0.22 0.00 0.00 39.33 39.36 1uf0 h ASP 44 CO -0.03 1.05 0.06 -0.07 -1.72 0.00 0.00 179.24 178.53 1uf0 h LEU 45 N 0.54 0.11 -1.84 1.55 3.38 -0.76 -1.87 115.31 116.42 1uf0 h LEU 45 Ca 0.04 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 1uf0 h LEU 45 Cb 0.97 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.68 1uf0 h LEU 45 CO 0.09 0.09 0.06 0.74 0.09 0.00 0.00 178.44 179.51 1uf0 h THR 46 N 0.11 1.04 -0.05 0.22 2.02 -1.28 0.75 112.91 115.73 1uf0 h THR 46 Ca 0.03 -0.12 -0.13 0.00 0.77 0.00 0.00 66.41 66.96 1uf0 h THR 46 Cb 0.00 0.90 -0.01 0.00 -1.74 0.00 0.00 68.15 67.29 1uf0 h THR 46 CO -0.01 0.05 -0.54 -0.09 0.37 0.00 0.00 175.52 175.30 1uf0 h ARG 47 N 0.16 0.14 0.00 6.66 2.43 -1.17 -3.35 114.38 119.25 1uf0 h ARG 47 Ca 0.04 -0.09 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 1uf0 h ARG 47 Cb 0.02 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.58 1uf0 h ARG 47 CO -0.01 0.65 -0.06 0.25 -1.51 0.00 0.00 179.97 179.29 1uf0 n THR 48 N -3.91 0.11 -3.00 0.20 -2.24 -0.49 -4.82 114.28 100.13 1uf0 n THR 48 Ca -0.02 0.48 -0.44 0.00 -2.27 0.00 0.00 64.05 61.80 1uf0 n THR 48 Cb 0.57 -1.56 -0.03 0.00 -2.10 0.00 0.00 70.33 67.20 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 -5.05 5.18 -0.06 3.22 1.43 0.25 -4.57 118.68 119.08 1uf0 s LEU 49 Ca -0.02 -1.75 0.02 0.00 -1.03 0.00 0.00 54.13 51.36 1uf0 s LEU 49 Cb 0.00 -2.36 0.07 0.00 0.03 0.00 0.00 46.19 43.94 1uf0 s LEU 49 CO 0.03 -1.10 0.61 -0.24 0.23 0.00 0.00 176.35 175.87 1uf0 n SER 50 N 6.46 -0.37 -3.25 2.29 2.88 -1.26 -4.22 113.62 116.16 1uf0 n SER 50 Ca 0.09 -1.06 -0.25 0.00 -1.33 0.00 0.00 58.87 56.32 1uf0 n SER 50 Cb 0.46 0.15 0.23 0.00 -0.75 0.00 0.00 64.21 64.31 1uf0 n SER 50 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 1uf0 n ASP 51 N -0.28 -3.19 -2.12 -3.46 9.92 -1.22 -4.46 116.55 111.74 1uf0 n ASP 51 Ca -0.06 -0.84 -0.21 0.00 -0.53 0.00 0.00 54.79 53.15 1uf0 n ASP 51 Cb 0.52 -0.83 0.17 0.00 -0.64 0.00 0.00 41.12 40.35 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 -5.10 3.76 -0.01 -2.24 4.13 -1.26 -2.21 115.26 112.32 1uf0 n ASN 52 Ca 0.12 -3.46 -0.02 0.00 1.68 0.00 0.00 54.58 52.90 1uf0 n ASN 52 Cb 0.50 -0.81 -0.01 0.00 -1.54 0.00 0.00 39.78 37.91 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 -0.96 0.17 0.00 2.41 0.31 -1.26 -4.86 118.33 114.15 1uf0 n VAL 53 Ca 0.54 -0.07 -0.03 0.00 -0.01 0.00 0.00 64.34 64.77 1uf0 n VAL 53 Cb 1.57 -0.63 -0.01 0.00 -0.91 0.00 0.00 33.84 33.86 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 -2.56 1.28 -3.91 4.52 3.02 -1.26 -4.94 115.26 111.42 1uf0 n ASN 54 Ca -0.05 0.19 -0.29 0.00 -0.03 0.00 0.00 54.58 54.39 1uf0 n ASN 54 Cb 0.56 -0.44 -0.13 0.00 -0.61 0.00 0.00 39.78 39.16 1uf0 n ASN 54 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1uf0 s LEU 55 N -7.19 4.26 0.15 3.41 1.43 -1.23 -4.94 118.68 114.57 1uf0 s LEU 55 Ca -0.09 -3.19 -0.08 0.00 -1.03 0.00 0.00 54.13 49.74 1uf0 s LEU 55 Cb 0.02 -1.57 -0.00 0.00 0.03 0.00 0.00 46.19 44.66 1uf0 s LEU 55 CO 0.13 -0.20 1.45 1.55 0.23 0.00 0.00 176.35 179.51 1uf0 h PRO 56 N 6.23 0.75 0.00 1.29 0.13 -1.66 -3.24 132.00 135.50 1uf0 h PRO 56 Ca -0.01 -0.47 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1uf0 h PRO 56 Cb 0.86 0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.04 1uf0 h PRO 56 CO 0.67 1.10 0.00 1.04 -0.23 0.00 0.00 178.00 180.58 1uf0 n GLN 57 N -3.99 0.00 0.00 0.86 3.00 -1.26 -4.89 117.38 111.10 1uf0 n GLN 57 Ca -0.04 0.40 0.00 0.00 -0.01 0.00 0.00 57.00 57.36 1uf0 n GLN 57 Cb 0.62 -1.14 0.00 0.00 0.00 0.00 0.00 30.24 29.72 1uf0 n GLN 57 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1uf0 n GLY 58 N 0.67 1.90 3.78 1.08 0.00 -1.26 -5.09 105.19 106.28 1uf0 n GLY 58 Ca 0.00 -0.88 -0.36 0.00 0.00 0.00 0.00 46.02 44.78 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 -2.00 3.60 0.23 1.61 0.11 -1.26 -4.57 120.40 118.12 1uf0 s VAL 59 Ca 0.00 1.19 0.00 0.00 -2.93 0.00 0.00 61.98 60.24 1uf0 s VAL 59 Cb 0.00 -3.60 0.00 0.00 -1.53 0.00 0.00 36.38 31.25 1uf0 s VAL 59 CO 0.00 -0.02 0.00 0.54 -3.33 0.00 0.00 175.10 172.29 1uf0 n ARG 60 N -0.26 0.00 -4.69 1.54 5.12 -0.96 -4.91 116.66 112.50 1uf0 n ARG 60 Ca 0.06 0.00 -0.31 0.00 -1.93 0.00 0.00 57.85 55.67 1uf0 n ARG 60 Cb 0.50 0.00 -0.17 0.00 -1.16 0.00 0.00 32.46 31.63 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 1.92 -0.18 0.55 2.01 -0.71 -5.02 115.64 112.20 1uf0 s THR 61 Ca 0.00 -0.90 -0.04 0.00 0.31 0.00 0.00 61.69 61.06 1uf0 s THR 61 Cb 0.00 -1.70 -0.02 0.00 0.01 0.00 0.00 72.50 70.79 1uf0 s THR 61 CO 0.00 0.52 -0.04 -0.63 -0.69 0.00 0.00 174.62 173.79 1uf0 s ILE 62 N 0.79 3.67 0.33 1.82 1.01 -1.26 -1.39 121.20 126.18 1uf0 s ILE 62 Ca -0.09 -0.42 0.07 0.00 0.00 0.00 0.00 60.65 60.22 1uf0 s ILE 62 Cb -0.16 -2.64 -0.02 0.00 0.01 0.00 0.00 42.46 39.66 1uf0 s ILE 62 CO -0.00 0.46 0.41 -0.31 0.00 0.00 0.00 174.94 175.49 1uf0 s TYR 63 N 0.87 3.06 1.11 3.97 1.51 -0.12 -0.06 117.35 127.69 1uf0 s TYR 63 Ca -0.01 -0.24 -0.16 0.00 -1.01 0.00 0.00 57.07 55.66 1uf0 s TYR 63 Cb -0.15 -1.91 0.24 0.00 -0.11 0.00 0.00 41.96 40.04 1uf0 s TYR 63 CO 0.01 0.08 1.11 0.95 -1.11 0.00 0.00 175.55 176.59 1uf0 s THR 64 N -2.21 1.79 0.25 -0.71 -4.23 -1.01 0.10 115.64 109.64 1uf0 s THR 64 Ca 0.43 0.00 -0.04 0.00 -1.18 0.00 0.00 61.69 60.90 1uf0 s THR 64 Cb -0.08 -2.51 0.17 0.00 1.34 0.00 0.00 72.50 71.41 1uf0 s THR 64 CO 0.29 0.00 1.82 -0.29 -0.54 0.00 0.00 174.62 175.91 1uf0 h ILE 65 N -2.25 1.24 0.09 2.99 6.09 -1.80 -2.86 117.51 121.02 1uf0 h ILE 65 Ca -0.49 -0.76 -0.26 0.00 -1.37 0.00 0.00 64.86 61.97 1uf0 h ILE 65 Cb 1.31 0.42 -0.01 0.00 0.47 0.00 0.00 36.82 39.01 1uf0 h ILE 65 CO 0.45 0.31 -1.24 0.44 -3.07 0.00 0.00 178.15 175.04 1uf0 h ASP 66 N 1.01 0.30 -0.78 2.19 5.19 -1.92 -3.48 116.42 118.93 1uf0 h ASP 66 Ca 0.23 -0.34 0.00 0.00 -0.62 0.00 0.00 57.03 56.31 1uf0 h ASP 66 Cb 0.20 -0.10 0.00 0.00 0.18 0.00 0.00 39.33 39.61 1uf0 h ASP 66 CO -0.02 1.27 0.00 0.61 -3.12 0.00 0.00 179.24 177.98 1uf0 n GLY 67 N 1.51 0.66 0.12 2.75 0.00 -1.08 -5.02 105.19 104.13 1uf0 n GLY 67 Ca -0.08 -0.27 -0.16 0.00 0.00 0.00 0.00 46.02 45.52 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 -0.39 2.87 -4.23 0.99 4.77 -1.26 -4.96 117.00 114.79 1uf0 n LEU 68 Ca 0.00 -0.12 -0.13 0.00 -0.03 0.00 0.00 56.01 55.73 1uf0 n LEU 68 Cb 0.24 -0.78 -0.10 0.00 -2.33 0.00 0.00 43.42 40.45 1uf0 n LEU 68 CO 0.00 0.88 -0.30 -0.54 -1.33 0.00 0.00 177.39 176.10 1uf0 s LYS 69 N -2.47 1.13 -0.13 3.23 -0.14 -1.26 -5.05 119.74 115.04 1uf0 s LYS 69 Ca -0.31 -1.56 0.01 0.00 -1.36 0.00 0.00 55.97 52.75 1uf0 s LYS 69 Cb 0.08 -0.09 -0.01 0.00 -1.68 0.00 0.00 37.83 36.13 1uf0 s LYS 69 CO 0.55 -0.22 -0.16 -1.59 -0.76 0.00 0.00 175.35 173.18 1uf0 s LYS 70 N -3.99 3.27 -0.10 1.68 -2.85 -1.26 -2.39 119.74 114.08 1uf0 s LYS 70 Ca 0.28 -0.74 -0.30 0.00 -1.00 0.00 0.00 55.97 54.21 1uf0 s LYS 70 Cb 0.07 -2.56 -0.03 0.00 -2.06 0.00 0.00 37.83 33.25 1uf0 s LYS 70 CO 0.06 0.15 1.27 0.42 0.10 0.00 0.00 175.35 177.35 1uf0 s ILE 71 N 0.49 4.19 -0.10 3.79 -1.09 0.91 -4.89 121.20 124.49 1uf0 s ILE 71 Ca -0.11 1.48 0.14 0.00 -2.23 0.00 0.00 60.65 59.93 1uf0 s ILE 71 Cb -0.16 -3.95 0.28 0.00 -1.58 0.00 0.00 42.46 37.04 1uf0 s ILE 71 CO 0.05 -0.07 1.14 -0.24 -1.23 0.00 0.00 174.94 174.58 1uf0 n SER 72 N 6.00 1.50 -3.77 3.58 2.88 -1.26 -4.15 113.62 118.41 1uf0 n SER 72 Ca 0.13 -2.91 -0.04 0.00 -1.33 0.00 0.00 58.87 54.72 1uf0 n SER 72 Cb 0.45 -0.39 -0.01 0.00 -0.75 0.00 0.00 64.21 63.51 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 -2.44 -0.20 0.04 -3.46 0.01 -1.26 -4.96 113.70 101.43 1uf0 s SER 73 Ca 0.27 -0.43 0.08 0.00 1.31 0.00 0.00 55.95 57.18 1uf0 s SER 73 Cb 0.26 0.53 -0.23 0.00 0.21 0.00 0.00 66.02 66.79 1uf0 s SER 73 CO -0.03 -0.98 0.99 -0.07 0.41 0.00 0.00 173.24 173.57 1uf0 h LEU 74 N 2.00 0.05 -0.33 2.44 3.38 -1.97 -3.32 115.31 117.55 1uf0 h LEU 74 Ca -0.23 -0.07 -0.18 0.00 0.09 0.00 0.00 57.88 57.49 1uf0 h LEU 74 Cb 1.23 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.95 1uf0 h LEU 74 CO 0.25 1.05 -0.84 0.44 0.09 0.00 0.00 178.44 179.44 1uf0 h ASP 75 N 0.01 0.06 -0.21 -0.43 3.32 -2.01 -3.17 116.42 113.99 1uf0 h ASP 75 Ca -0.14 -0.05 0.02 0.00 0.02 0.00 0.00 57.03 56.88 1uf0 h ASP 75 Cb 1.89 -0.02 -0.01 0.00 0.22 0.00 0.00 39.33 41.42 1uf0 h ASP 75 CO 0.11 0.87 0.14 1.56 -1.72 0.00 0.00 179.24 180.20 1uf0 h GLN 76 N 0.02 0.17 -7.17 3.56 1.08 -1.97 -3.43 115.11 107.38 1uf0 h GLN 76 Ca -0.02 -0.01 -0.41 0.00 -1.45 0.00 0.00 58.65 56.77 1uf0 h GLN 76 Cb 1.47 -0.04 0.21 0.00 -0.05 0.00 0.00 27.48 29.07 1uf0 h GLN 76 CO 0.11 0.11 -0.01 -0.51 -0.95 0.00 0.00 178.83 177.59 1uf0 s LEU 77 N -9.17 -0.12 0.01 1.46 1.43 -1.20 -5.06 118.68 106.03 1uf0 s LEU 77 Ca -0.06 0.94 -0.02 0.00 -1.03 0.00 0.00 54.13 53.96 1uf0 s LEU 77 Cb 0.18 -2.58 -0.01 0.00 0.03 0.00 0.00 46.19 43.80 1uf0 s LEU 77 CO 0.70 -4.70 0.01 -0.69 0.23 0.00 0.00 176.35 171.90 1uf0 s VAL 78 N -2.54 0.09 0.02 -1.59 1.01 -1.26 -5.08 120.40 111.05 1uf0 s VAL 78 Ca 0.69 -0.76 -0.30 0.00 0.00 0.00 0.00 61.98 61.61 1uf0 s VAL 78 Cb -0.15 -0.27 -0.08 0.00 0.00 0.00 0.00 36.38 35.88 1uf0 s VAL 78 CO 0.59 -0.42 1.81 -0.70 0.00 0.00 0.00 175.10 176.38 1uf0 s GLU 79 N -1.27 4.16 -0.37 2.72 2.12 -1.26 -3.59 118.70 121.21 1uf0 s GLU 79 Ca -0.14 2.44 -0.01 0.00 0.36 0.00 0.00 54.97 57.61 1uf0 s GLU 79 Cb -0.08 -3.97 0.00 0.00 0.26 0.00 0.00 34.13 30.33 1uf0 s GLU 79 CO -0.00 -0.88 0.37 0.41 -0.54 0.00 0.00 175.26 174.62 1uf0 n GLY 80 N 4.30 -0.84 3.33 -1.50 0.00 0.17 -4.85 105.19 105.80 1uf0 n GLY 80 Ca 0.18 0.24 -0.14 0.00 0.00 0.00 0.00 46.02 46.30 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 -2.81 1.55 -0.04 1.61 0.41 -0.97 -5.03 118.70 113.41 1uf0 s GLU 81 Ca 0.02 -1.73 0.03 0.00 -0.41 0.00 0.00 54.97 52.88 1uf0 s GLU 81 Cb -0.01 0.34 0.00 0.00 -1.78 0.00 0.00 34.13 32.69 1uf0 s GLU 81 CO 0.41 -0.58 -0.13 -1.12 -0.49 0.00 0.00 175.26 173.35 1uf0 s SER 82 N -3.22 1.72 0.04 -0.19 0.01 -1.26 -1.26 113.70 109.53 1uf0 s SER 82 Ca 0.36 -0.28 0.02 0.00 1.31 0.00 0.00 55.95 57.36 1uf0 s SER 82 Cb 0.03 -0.57 -0.02 0.00 0.21 0.00 0.00 66.02 65.67 1uf0 s SER 82 CO 0.18 0.09 -0.08 -0.31 0.41 0.00 0.00 173.24 173.53 1uf0 s TYR 83 N 0.28 0.67 -0.20 2.43 1.51 0.15 -2.31 117.35 119.89 1uf0 s TYR 83 Ca -0.07 -0.46 -0.09 0.00 -1.01 0.00 0.00 57.07 55.44 1uf0 s TYR 83 Cb -0.12 -0.40 -0.05 0.00 -0.11 0.00 0.00 41.96 41.28 1uf0 s TYR 83 CO 0.02 -0.07 0.11 0.08 -1.11 0.00 0.00 175.55 174.58 1uf0 s VAL 84 N -1.26 5.11 0.06 0.71 1.01 0.28 -1.14 120.40 125.17 1uf0 s VAL 84 Ca -0.09 0.08 -0.30 0.00 0.00 0.00 0.00 61.98 61.68 1uf0 s VAL 84 Cb -0.09 -3.34 -0.05 0.00 0.00 0.00 0.00 36.38 32.90 1uf0 s VAL 84 CO 0.00 0.42 1.03 0.00 0.00 0.00 0.00 175.10 176.55 1uf0 s GLY 86 N 0.61 0.49 0.00 0.00 0.00 -0.48 -3.03 107.32 104.90 1uf0 s GLY 86 Ca 0.52 -1.21 0.00 0.00 0.00 0.00 0.00 44.72 44.03 1uf0 s GLY 86 CO 0.30 -1.32 0.00 -1.26 0.00 0.00 0.00 173.10 170.82 1uf0 n SER 87 N 0.13 0.00 -0.00 1.64 2.88 -1.26 -1.75 113.62 115.26 1uf0 n SER 87 Ca -0.14 0.00 -0.00 0.00 -1.33 0.00 0.00 58.87 57.40 1uf0 n SER 87 Cb 0.61 0.00 -0.00 0.00 -0.75 0.00 0.00 64.21 64.07 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 -1.07 0.01 -1.41 2.46 -5.35 -1.26 -4.53 119.36 108.21 1uf0 n ILE 88 Ca 0.00 -0.00 -0.35 0.00 -0.27 0.00 0.00 62.75 62.13 1uf0 n ILE 88 Cb 0.00 -0.73 0.10 0.00 -1.74 0.00 0.00 39.64 37.27 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 -2.00 2.06 0.87 6.28 1.03 -1.26 -4.99 118.70 120.69 1uf0 s GLU 89 Ca -0.00 1.87 -0.11 0.00 0.03 0.00 0.00 54.97 56.76 1uf0 s GLU 89 Cb 0.00 -1.81 0.11 0.00 -0.80 0.00 0.00 34.13 31.63 1uf0 s GLU 89 CO 0.00 -1.92 1.09 -1.25 -1.33 0.00 0.00 175.26 171.86 1uf0 s PRO 90 N -3.81 1.50 0.26 -4.83 0.04 -1.26 -4.97 135.00 121.93 1uf0 s PRO 90 Ca 0.77 0.90 -0.30 0.00 0.04 0.00 0.00 61.00 62.41 1uf0 s PRO 90 Cb -0.32 -1.83 -0.10 0.00 0.04 0.00 0.00 34.50 32.29 1uf0 s PRO 90 CO 0.45 -2.09 1.42 0.12 0.04 0.00 0.00 177.00 176.94 1uf0 s PHE 91 N -2.93 3.01 -0.14 0.56 2.19 -1.26 -5.01 117.98 114.39 1uf0 s PHE 91 Ca 0.63 1.09 0.01 0.00 0.33 0.00 0.00 56.93 58.99 1uf0 s PHE 91 Cb -0.18 -3.81 0.02 0.00 -1.31 0.00 0.00 43.02 37.74 1uf0 s PHE 91 CO 0.57 -2.56 -0.18 0.15 1.83 0.00 0.00 175.22 175.03 1uf0 s LYS 92 N -0.63 2.65 -0.49 10.12 1.02 -1.26 -5.09 119.74 126.05 1uf0 s LYS 92 Ca 0.58 -0.71 -0.27 0.00 0.02 0.00 0.00 55.97 55.59 1uf0 s LYS 92 Cb -0.42 -2.26 0.03 0.00 -0.52 0.00 0.00 37.83 34.66 1uf0 s LYS 92 CO 0.45 -0.13 1.05 0.15 -0.92 0.00 0.00 175.35 175.95 1uf0 s LYS 93 N 1.14 3.59 0.12 1.68 1.02 -1.26 -4.70 119.74 121.33 1uf0 s LYS 93 Ca -0.01 0.30 0.06 0.00 0.02 0.00 0.00 55.97 56.34 1uf0 s LYS 93 Cb -0.14 -3.94 -0.04 0.00 -0.52 0.00 0.00 37.83 33.19 1uf0 s LYS 93 CO -0.07 -1.37 -0.14 -0.51 -0.92 0.00 0.00 175.35 172.34 1uf0 s LEU 94 N 4.22 2.41 -0.94 3.17 1.43 -1.26 -5.07 118.68 122.64 1uf0 s LEU 94 Ca 0.42 -0.83 -0.24 0.00 -1.03 0.00 0.00 54.13 52.45 1uf0 s LEU 94 Cb -0.09 -0.52 -0.01 0.00 0.03 0.00 0.00 46.19 45.60 1uf0 s LEU 94 CO 0.28 -0.16 1.73 -1.83 0.23 0.00 0.00 176.35 176.59 1uf0 s GLU 95 N -2.76 2.99 -0.19 1.70 1.03 -1.26 -4.75 118.70 115.46 1uf0 s GLU 95 Ca 0.09 -0.60 -0.17 0.00 0.03 0.00 0.00 54.97 54.32 1uf0 s GLU 95 Cb -0.04 -5.14 -0.14 0.00 -0.80 0.00 0.00 34.13 28.01 1uf0 s GLU 95 CO 0.03 -2.86 0.08 1.88 -1.33 0.00 0.00 175.26 173.06 1uf0 h TYR 96 N 10.77 0.00 0.00 4.83 0.05 -1.94 -3.38 116.97 127.30 1uf0 h TYR 96 Ca 0.12 0.00 -0.02 0.00 0.05 0.00 0.00 58.73 58.88 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 1.24 1.02 -0.11 1.79 -1.05 0.00 0.00 178.16 181.04 1uf0 h THR 97 N -1.00 0.57 -0.51 -2.88 1.35 -1.85 -2.53 112.91 106.06 1uf0 h THR 97 Ca -0.24 -0.51 0.15 0.00 -0.55 0.00 0.00 66.41 65.26 1uf0 h THR 97 Cb 1.05 1.33 -0.02 0.00 -1.73 0.00 0.00 68.15 68.78 1uf0 h THR 97 CO -0.15 0.11 0.37 0.50 -0.25 0.00 0.00 175.52 176.11 1uf0 h LYS 98 N 0.00 0.00 -0.14 4.72 3.11 -1.94 -0.36 116.57 121.96 1uf0 h LYS 98 Ca -0.00 0.00 -0.07 0.00 -2.81 0.00 0.00 60.65 57.77 1uf0 h LYS 98 Cb 0.32 0.00 -0.04 0.00 -1.00 0.00 0.00 32.23 31.51 1uf0 h LYS 98 CO 0.01 0.00 -0.34 0.27 -2.81 0.00 0.00 179.45 176.59 1uf0 n ASN 99 N -4.37 1.99 -3.73 4.20 0.23 -0.96 -4.99 115.26 107.64 1uf0 n ASN 99 Ca 0.09 -3.86 -0.12 0.00 -0.53 0.00 0.00 54.58 50.16 1uf0 n ASN 99 Cb 0.59 -0.57 -0.11 0.00 -2.08 0.00 0.00 39.78 37.61 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 -3.24 -0.02 0.08 3.53 1.01 -0.15 -4.85 120.40 116.77 1uf0 s VAL 100 Ca 0.41 0.06 -0.08 0.00 0.00 0.00 0.00 61.98 62.36 1uf0 s VAL 100 Cb 0.38 -0.49 -0.06 0.00 0.00 0.00 0.00 36.38 36.22 1uf0 s VAL 100 CO -0.04 0.02 0.37 0.21 0.00 0.00 0.00 175.10 175.66 1uf0 s ASN 101 N 0.75 6.57 0.00 3.32 2.47 -1.26 -4.74 114.94 122.05 1uf0 s ASN 101 Ca -0.05 0.70 0.29 0.00 0.42 0.00 0.00 52.86 54.22 1uf0 s ASN 101 Cb -0.06 -2.14 1.72 0.00 -1.45 0.00 0.00 41.25 39.32 1uf0 s ASN 101 CO -0.05 0.15 2.06 -0.81 -3.72 0.00 0.00 177.10 174.73 1uf0 n PRO 102 N 0.71 0.89 -1.35 0.43 -0.04 -1.26 -4.37 135.00 130.02 1uf0 n PRO 102 Ca -0.07 0.00 -0.39 0.00 -0.04 0.00 0.00 63.50 63.00 1uf0 n PRO 102 Cb 0.52 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.45 1uf0 n PRO 102 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 1uf0 n ASN 103 N -1.01 8.53 0.00 3.54 4.05 -1.26 -3.88 115.26 125.23 1uf0 n ASN 103 Ca 0.21 -2.60 0.00 0.00 0.45 0.00 0.00 54.58 52.65 1uf0 n ASN 103 Cb 0.10 -1.56 0.00 0.00 1.23 0.00 0.00 39.78 39.55 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 3.67 0.00 -1.31 1.20 4.27 -1.26 -4.80 117.44 119.20 1uf0 n TRP 104 Ca 0.77 0.00 -0.29 0.00 -3.89 0.00 0.00 57.50 54.09 1uf0 n TRP 104 Cb 0.24 0.05 0.04 0.00 -1.36 0.00 0.00 31.31 30.28 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 -2.29 7.12 0.03 -0.67 2.88 -1.25 -4.42 113.62 115.01 1uf0 n SER 105 Ca 0.00 -3.49 0.00 0.00 -1.33 0.00 0.00 58.87 54.05 1uf0 n SER 105 Cb 0.30 -1.06 0.00 0.00 -0.75 0.00 0.00 64.21 62.70 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 -0.20 0.38 -1.93 2.46 0.31 -1.26 -4.94 118.33 113.15 1uf0 n VAL 106 Ca 0.49 0.12 -0.23 0.00 -0.01 0.00 0.00 64.34 64.71 1uf0 n VAL 106 Cb 0.55 -1.03 -0.06 0.00 -0.91 0.00 0.00 33.84 32.40 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 -5.19 4.77 -0.59 4.52 -0.87 -1.26 -4.77 114.94 111.56 1uf0 s ASN 107 Ca 0.00 -0.68 0.02 0.00 -1.57 0.00 0.00 52.86 50.64 1uf0 s ASN 107 Cb 0.00 -2.56 0.40 0.00 -0.02 0.00 0.00 41.25 39.06 1uf0 s ASN 107 CO 0.00 -3.14 1.46 0.55 -2.57 0.00 0.00 177.10 173.40 1uf0 n VAL 108 N 8.12 2.84 -3.03 1.60 3.14 -1.26 -4.84 118.33 124.91 1uf0 n VAL 108 Ca 0.42 -4.65 -0.32 0.00 -2.96 0.00 0.00 64.34 56.84 1uf0 n VAL 108 Cb 0.46 -1.25 -0.03 0.00 -1.06 0.00 0.00 33.84 31.95 1uf0 n VAL 108 CO 0.00 0.00 0.00 1.17 -6.46 0.00 0.00 176.83 171.54 1uf0 n LYS 109 N -0.52 3.61 0.00 1.45 3.00 -1.26 -4.79 118.16 119.65 1uf0 n LYS 109 Ca 0.45 -4.74 0.00 0.00 -0.00 0.00 0.00 58.31 54.02 1uf0 n LYS 109 Cb 0.52 -2.32 0.00 0.00 0.00 0.00 0.00 35.03 33.22 1uf0 n LYS 109 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.40 177.65 1uf0 n THR 110 N 0.29 0.00 -1.80 3.15 -2.24 -1.26 -5.05 114.28 107.36 1uf0 n THR 110 Ca 0.33 0.05 -0.38 0.00 -2.27 0.00 0.00 64.05 61.78 1uf0 n THR 110 Cb 0.36 -0.93 0.04 0.00 -2.10 0.00 0.00 70.33 67.70 1uf0 n THR 110 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1uf0 s SER 111 N -3.28 5.30 -0.32 3.42 1.04 -1.26 -5.02 113.70 113.58 1uf0 s SER 111 Ca 0.00 2.75 0.06 0.00 0.48 0.00 0.00 55.95 59.24 1uf0 s SER 111 Cb 0.00 -2.63 0.19 0.00 0.10 0.00 0.00 66.02 63.68 1uf0 s SER 111 CO 0.00 -1.55 0.62 -0.83 0.98 0.00 0.00 173.24 172.46 1uf0 s GLY 112 N -0.97 -1.26 -0.25 7.32 0.00 -1.26 -5.12 107.32 105.77 1uf0 s GLY 112 Ca 0.71 0.88 -0.29 0.00 0.00 0.00 0.00 44.72 46.02 1uf0 s GLY 112 CO 0.47 3.71 1.73 2.56 0.00 0.00 0.00 173.10 181.57 1uf0 s PRO 113 N 2.57 3.59 -0.31 2.90 0.04 -1.26 -4.97 135.00 137.56 1uf0 s PRO 113 Ca 0.12 1.62 -0.21 0.00 0.04 0.00 0.00 61.00 62.57 1uf0 s PRO 113 Cb -0.08 -4.12 -0.01 0.00 0.04 0.00 0.00 34.50 30.33 1uf0 s PRO 113 CO -0.21 -1.55 0.66 -1.54 0.04 0.00 0.00 177.00 174.41 1uf0 s SER 114 N 5.18 6.52 1.05 6.66 1.04 -1.26 -5.06 113.70 127.83 1uf0 s SER 114 Ca 0.77 0.45 -0.04 0.00 0.48 0.00 0.00 55.95 57.61 1uf0 s SER 114 Cb -0.25 -2.34 0.06 0.00 0.10 0.00 0.00 66.02 63.58 1uf0 s SER 114 CO 0.32 -0.52 0.21 -0.24 0.98 0.00 0.00 173.24 173.99 1uf0 n SER 115 N 5.96 -1.29 -0.39 7.02 2.88 -1.26 -5.37 113.62 121.17 1uf0 n SER 115 Ca -0.00 -0.60 0.05 0.00 -1.33 0.00 0.00 58.87 56.99 1uf0 n SER 115 Cb 0.49 -0.19 0.04 0.00 -0.75 0.00 0.00 64.21 63.80 1uf0 n SER 115 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42