#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 0.00 0.00 1.61 7.64 -1.26 -3.28 113.62 118.33 1uf0 n SER 2 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1uf0 n SER 2 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1uf0 n SER 2 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1uf0 n SER 3 N 1.54 0.00 0.00 6.43 2.88 -1.26 -5.16 113.62 118.05 1uf0 n SER 3 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1uf0 n SER 3 Cb 0.00 0.25 0.00 0.00 -0.75 0.00 0.00 64.21 63.71 1uf0 n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1uf0 n GLY 4 N -1.08 0.63 0.08 0.46 0.00 -1.21 -4.86 105.19 99.21 1uf0 n GLY 4 Ca 0.00 -0.82 -0.11 0.00 0.00 0.00 0.00 46.02 45.09 1uf0 n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1uf0 n SER 5 N 0.00 2.65 -4.19 1.61 7.64 -1.26 -5.06 113.62 115.01 1uf0 n SER 5 Ca 0.00 -0.08 -0.26 0.00 1.01 0.00 0.00 58.87 59.54 1uf0 n SER 5 Cb 0.00 -0.18 -0.08 0.00 -1.01 0.00 0.00 64.21 62.94 1uf0 n SER 5 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1uf0 s SER 6 N -5.52 2.85 0.00 6.43 0.01 -1.26 -5.14 113.70 111.07 1uf0 s SER 6 Ca -0.21 -1.65 0.00 0.00 1.31 0.00 0.00 55.95 55.40 1uf0 s SER 6 Cb 0.06 0.46 0.00 0.00 0.21 0.00 0.00 66.02 66.74 1uf0 s SER 6 CO 0.39 -0.90 0.00 0.61 0.41 0.00 0.00 173.24 173.75 1uf0 n GLY 7 N -0.92 -0.41 3.35 3.44 0.00 -1.26 -4.98 105.19 104.41 1uf0 n GLY 7 Ca -0.07 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.81 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 0.77 -0.31 1.61 1.02 -1.26 -4.99 119.74 116.59 1uf0 s LYS 8 Ca 0.00 0.08 -0.08 0.00 0.02 0.00 0.00 55.97 55.99 1uf0 s LYS 8 Cb 0.00 0.36 0.00 0.00 -0.52 0.00 0.00 37.83 37.67 1uf0 s LYS 8 CO 0.00 -0.21 0.12 -1.59 -0.92 0.00 0.00 175.35 172.75 1uf0 s LYS 9 N -1.04 3.18 0.13 1.68 -2.85 -1.26 -4.89 119.74 114.69 1uf0 s LYS 9 Ca -0.11 -0.81 0.00 0.00 -1.00 0.00 0.00 55.97 54.05 1uf0 s LYS 9 Cb -0.03 -3.48 0.00 0.00 -2.06 0.00 0.00 37.83 32.25 1uf0 s LYS 9 CO 0.06 -0.45 0.00 0.00 0.10 0.00 0.00 175.35 175.06 1uf0 n ALA 10 N 4.93 -2.09 -2.52 0.59 0.00 -1.26 -4.91 120.51 115.25 1uf0 n ALA 10 Ca -0.14 0.46 -0.41 0.00 0.00 0.00 0.00 53.44 53.35 1uf0 n ALA 10 Cb 0.48 -1.40 -0.04 0.00 0.00 0.00 0.00 19.45 18.50 1uf0 n ALA 10 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1uf0 s LYS 11 N -0.74 4.58 -0.18 0.00 3.01 -0.86 -4.74 119.74 120.81 1uf0 s LYS 11 Ca 0.00 1.31 -0.09 0.00 -1.01 0.00 0.00 55.97 56.18 1uf0 s LYS 11 Cb 0.00 -3.42 -0.05 0.00 -1.01 0.00 0.00 37.83 33.36 1uf0 s LYS 11 CO 0.00 0.10 0.11 0.15 0.51 0.00 0.00 175.35 176.22 1uf0 s LYS 12 N 0.49 4.00 -0.01 1.68 1.02 -1.26 0.67 119.74 126.34 1uf0 s LYS 12 Ca 0.47 -0.24 0.00 0.00 0.02 0.00 0.00 55.97 56.22 1uf0 s LYS 12 Cb -0.21 -3.32 0.00 0.00 -0.52 0.00 0.00 37.83 33.78 1uf0 s LYS 12 CO 0.27 0.37 -0.01 0.14 -0.92 0.00 0.00 175.35 175.20 1uf0 s VAL 13 N 0.14 0.10 -0.19 3.17 -7.23 -1.12 0.62 120.40 115.89 1uf0 s VAL 13 Ca 0.08 -0.02 -0.10 0.00 -1.81 0.00 0.00 61.98 60.13 1uf0 s VAL 13 Cb -0.11 -0.12 -0.05 0.00 0.56 0.00 0.00 36.38 36.66 1uf0 s VAL 13 CO -0.01 0.05 0.13 -0.60 -0.31 0.00 0.00 175.10 174.36 1uf0 s ARG 14 N 0.16 4.13 -0.11 4.82 3.52 -0.18 -1.85 118.95 129.45 1uf0 s ARG 14 Ca -0.01 -0.22 0.03 0.00 -0.13 0.00 0.00 55.73 55.40 1uf0 s ARG 14 Cb -0.03 -3.39 0.00 0.00 -1.56 0.00 0.00 34.95 29.97 1uf0 s ARG 14 CO -0.00 0.33 -0.23 -0.06 -0.81 0.00 0.00 175.30 174.53 1uf0 s PHE 15 N 0.27 2.60 0.57 5.12 0.08 -0.54 -0.42 117.98 125.66 1uf0 s PHE 15 Ca 0.08 -1.08 0.07 0.00 0.12 0.00 0.00 56.93 56.12 1uf0 s PHE 15 Cb -0.11 -1.74 0.07 0.00 -0.57 0.00 0.00 43.02 40.67 1uf0 s PHE 15 CO -0.02 -0.44 0.56 0.66 -0.10 0.00 0.00 175.22 175.88 1uf0 n TYR 16 N 3.63 -1.15 -4.15 0.36 4.01 0.31 -2.87 117.16 117.30 1uf0 n TYR 16 Ca -0.19 -2.31 -0.35 0.00 -0.16 0.00 0.00 57.90 54.89 1uf0 n TYR 16 Cb 0.53 -0.50 -0.13 0.00 -0.31 0.00 0.00 39.34 38.94 1uf0 n TYR 16 CO 0.00 0.00 0.00 0.50 -0.46 0.00 0.00 176.86 176.90 1uf0 s ARG 17 N -4.44 3.61 -0.23 -0.72 3.52 -1.26 -1.62 118.95 117.81 1uf0 s ARG 17 Ca 0.42 -0.53 -0.29 0.00 -0.13 0.00 0.00 55.73 55.21 1uf0 s ARG 17 Cb -0.03 -3.03 -0.06 0.00 -1.56 0.00 0.00 34.95 30.27 1uf0 s ARG 17 CO 0.27 0.06 2.22 -1.71 -0.81 0.00 0.00 175.30 175.33 1uf0 n ASN 18 N 4.09 3.14 -0.03 -2.12 2.85 -1.17 -1.50 115.26 120.52 1uf0 n ASN 18 Ca -0.17 0.24 0.00 0.00 -0.11 0.00 0.00 54.58 54.53 1uf0 n ASN 18 Cb 0.52 -1.52 0.00 0.00 1.24 0.00 0.00 39.78 40.02 1uf0 n ASN 18 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1uf0 n GLY 19 N 5.84 1.33 2.87 8.20 0.00 -1.26 -5.02 105.19 117.14 1uf0 n GLY 19 Ca 0.31 -0.32 -0.11 0.00 0.00 0.00 0.00 46.02 45.89 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 -2.38 0.76 0.03 1.61 -1.08 -0.57 -5.00 116.67 110.05 1uf0 s ASP 20 Ca 0.00 -0.55 0.08 0.00 -0.52 0.00 0.00 52.55 51.55 1uf0 s ASP 20 Cb 0.00 0.92 -0.23 0.00 -1.46 0.00 0.00 42.92 42.15 1uf0 s ASP 20 CO 0.00 -0.36 0.95 0.08 0.52 0.00 0.00 175.17 176.36 1uf0 h ARG 21 N 8.12 0.04 -0.05 4.34 0.11 -1.91 -3.31 114.38 121.73 1uf0 h ARG 21 Ca -0.09 -0.07 0.01 0.00 0.10 0.00 0.00 59.98 59.93 1uf0 h ARG 21 Cb 1.10 0.03 -0.00 0.00 1.11 0.00 0.00 29.97 32.21 1uf0 h ARG 21 CO 0.28 0.81 0.04 1.88 0.10 0.00 0.00 179.97 183.08 1uf0 h TYR 22 N 0.01 0.00 -2.90 4.08 -1.99 -1.94 -3.43 116.97 110.79 1uf0 h TYR 22 Ca -0.17 0.00 -0.56 0.00 2.00 0.00 0.00 58.73 60.00 1uf0 h TYR 22 Cb 1.91 0.00 0.08 0.00 2.00 0.00 0.00 36.73 40.73 1uf0 h TYR 22 CO 0.01 0.00 0.75 0.34 -0.00 0.00 0.00 178.16 179.26 1uf0 n PHE 23 N -4.17 2.47 0.10 4.88 7.35 -1.24 -4.91 117.46 121.95 1uf0 n PHE 23 Ca -0.02 0.34 -0.17 0.00 -0.76 0.00 0.00 57.45 56.83 1uf0 n PHE 23 Cb 0.14 -2.53 -0.12 0.00 0.35 0.00 0.00 39.48 37.32 1uf0 n PHE 23 CO 0.00 0.00 0.00 -0.22 -0.76 0.00 0.00 176.76 175.78 1uf0 h LYS 24 N 4.62 0.37 0.00 -4.13 1.63 -1.83 -3.48 116.57 113.75 1uf0 h LYS 24 Ca -0.46 -0.57 0.00 0.00 -0.85 0.00 0.00 60.65 58.78 1uf0 h LYS 24 Cb 1.25 0.20 0.00 0.00 -0.60 0.00 0.00 32.23 33.08 1uf0 h LYS 24 CO 0.79 1.25 0.00 0.41 -3.45 0.00 0.00 179.45 178.44 1uf0 n GLY 25 N 1.44 2.87 3.16 5.01 0.00 -1.26 -4.79 105.19 111.61 1uf0 n GLY 25 Ca -0.10 -1.85 -0.25 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 -2.54 1.38 -0.14 -0.61 2.07 -1.14 -4.96 121.20 115.28 1uf0 s ILE 26 Ca 0.00 -0.73 -0.05 0.00 -1.41 0.00 0.00 60.65 58.46 1uf0 s ILE 26 Cb 0.00 -1.16 -0.04 0.00 0.13 0.00 0.00 42.46 41.39 1uf0 s ILE 26 CO 0.00 0.39 0.03 -0.69 -1.91 0.00 0.00 174.94 172.76 1uf0 s VAL 27 N -0.29 4.53 -0.10 4.00 1.01 -1.26 -1.47 120.40 126.81 1uf0 s VAL 27 Ca 0.04 -0.15 0.02 0.00 0.00 0.00 0.00 61.98 61.90 1uf0 s VAL 27 Cb -0.08 -2.97 0.01 0.00 0.00 0.00 0.00 36.38 33.34 1uf0 s VAL 27 CO 0.00 0.54 -0.16 -0.31 0.00 0.00 0.00 175.10 175.17 1uf0 s TYR 28 N -0.24 2.01 -0.61 5.22 2.02 -0.77 -4.94 117.35 120.04 1uf0 s TYR 28 Ca 0.07 -0.91 -0.25 0.00 -0.37 0.00 0.00 57.07 55.61 1uf0 s TYR 28 Cb -0.12 -1.43 0.05 0.00 -0.40 0.00 0.00 41.96 40.05 1uf0 s TYR 28 CO 0.02 -0.45 1.03 0.00 -1.57 0.00 0.00 175.55 174.57 1uf0 s ALA 29 N 0.87 3.07 -0.01 3.71 0.00 -1.26 -2.78 121.76 125.36 1uf0 s ALA 29 Ca -0.09 -1.37 -0.30 0.00 0.00 0.00 0.00 51.96 50.20 1uf0 s ALA 29 Cb -0.15 -3.88 -0.06 0.00 0.00 0.00 0.00 23.12 19.03 1uf0 s ALA 29 CO 0.00 -2.66 1.44 0.42 0.00 0.00 0.00 175.76 174.96 1uf0 s ILE 30 N 4.37 3.66 -0.06 0.00 -1.09 0.21 -4.80 121.20 123.50 1uf0 s ILE 30 Ca 0.30 1.03 -0.24 0.00 -2.23 0.00 0.00 60.65 59.51 1uf0 s ILE 30 Cb -0.12 -3.66 0.05 0.00 -1.58 0.00 0.00 42.46 37.15 1uf0 s ILE 30 CO 0.17 -0.01 0.55 -0.44 -1.23 0.00 0.00 174.94 173.97 1uf0 s SER 31 N 2.04 -0.50 0.13 3.58 0.01 -1.26 -2.02 113.70 115.68 1uf0 s SER 31 Ca 0.65 0.56 -0.25 0.00 1.31 0.00 0.00 55.95 58.22 1uf0 s SER 31 Cb -0.32 0.54 -0.03 0.00 0.21 0.00 0.00 66.02 66.42 1uf0 s SER 31 CO 0.27 -0.51 1.62 -0.65 0.41 0.00 0.00 173.24 174.38 1uf0 h PRO 32 N 3.54 -0.37 -0.33 12.44 0.11 -1.95 0.73 132.00 146.16 1uf0 h PRO 32 Ca -0.28 0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.84 1uf0 h PRO 32 Cb 1.16 0.08 -0.01 0.00 0.11 0.00 0.00 31.00 32.33 1uf0 h PRO 32 CO 0.37 -0.25 0.15 -0.44 -0.21 0.00 0.00 178.00 177.62 1uf0 h ASP 33 N -0.38 0.43 0.57 -2.05 3.32 -1.98 -3.27 116.42 113.06 1uf0 h ASP 33 Ca 0.09 -0.13 -0.03 0.00 0.02 0.00 0.00 57.03 56.98 1uf0 h ASP 33 Cb 0.51 -0.11 0.01 0.00 0.22 0.00 0.00 39.33 39.95 1uf0 h ASP 33 CO -0.30 0.44 -0.28 0.03 -1.72 0.00 0.00 179.24 177.42 1uf0 h ARG 34 N 0.39 -0.74 -5.09 3.56 3.08 -1.83 -3.42 114.38 110.33 1uf0 h ARG 34 Ca 0.11 0.05 -0.66 0.00 0.07 0.00 0.00 59.98 59.55 1uf0 h ARG 34 Cb 0.13 0.17 -0.29 0.00 0.08 0.00 0.00 29.97 30.06 1uf0 h ARG 34 CO -0.01 -0.49 -0.76 -0.06 -1.07 0.00 0.00 179.97 177.57 1uf0 s PHE 35 N -4.47 2.89 -0.06 3.04 0.08 0.25 -4.97 117.98 114.73 1uf0 s PHE 35 Ca -0.11 -1.00 -0.16 0.00 0.12 0.00 0.00 56.93 55.78 1uf0 s PHE 35 Cb 0.01 -2.01 -0.30 0.00 -0.57 0.00 0.00 43.02 40.15 1uf0 s PHE 35 CO 0.34 -0.52 0.71 0.00 -0.10 0.00 0.00 175.22 175.65 1uf0 h ARG 36 N 7.73 0.34 0.00 0.44 -0.00 -1.78 -3.35 114.38 117.75 1uf0 h ARG 36 Ca -0.39 -0.57 -0.25 0.00 -0.50 0.00 0.00 59.98 58.27 1uf0 h ARG 36 Cb 1.17 0.21 -0.06 0.00 0.00 0.00 0.00 29.97 31.29 1uf0 h ARG 36 CO 0.60 1.28 -0.15 0.43 0.00 0.00 0.00 179.97 182.13 1uf0 n SER 37 N -3.85 -1.06 0.06 7.04 7.64 -1.26 -5.03 113.62 117.15 1uf0 n SER 37 Ca -0.22 -2.59 0.01 0.00 1.01 0.00 0.00 58.87 57.09 1uf0 n SER 37 Cb 0.96 2.02 0.35 0.00 -1.01 0.00 0.00 64.21 66.53 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 1.84 0.40 -0.54 1.43 3.57 -1.95 -2.36 116.94 119.33 1uf0 h PHE 38 Ca -0.22 -0.04 -0.02 0.00 3.53 0.00 0.00 57.97 61.22 1uf0 h PHE 38 Cb 0.98 -0.12 -0.03 0.00 2.79 0.00 0.00 35.95 39.57 1uf0 h PHE 38 CO 0.00 0.44 0.25 0.93 -2.23 0.00 0.00 178.31 177.70 1uf0 h GLU 39 N 0.38 0.76 -0.24 1.11 5.08 -1.96 0.19 114.58 119.90 1uf0 h GLU 39 Ca 0.08 -0.09 -0.08 0.00 -1.00 0.00 0.00 59.36 58.27 1uf0 h GLU 39 Cb 0.31 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.41 1uf0 h GLU 39 CO 0.01 0.60 -0.16 0.00 -1.00 0.00 0.00 179.01 178.46 1uf0 h ALA 40 N 1.52 0.34 -0.55 3.43 0.00 -1.83 -1.65 119.26 120.52 1uf0 h ALA 40 Ca 0.19 -0.33 -0.11 0.00 0.00 0.00 0.00 54.91 54.66 1uf0 h ALA 40 Cb 0.09 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 1uf0 h ALA 40 CO -0.02 0.23 -0.09 1.25 0.00 0.00 0.00 179.25 180.62 1uf0 h LEU 41 N 0.23 1.01 -0.66 0.00 5.85 -1.30 -2.76 115.31 117.68 1uf0 h LEU 41 Ca 0.05 -0.33 -0.09 0.00 0.84 0.00 0.00 57.88 58.35 1uf0 h LEU 41 Cb 0.68 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.41 1uf0 h LEU 41 CO 0.04 1.11 0.07 -0.07 -0.34 0.00 0.00 178.44 179.26 1uf0 h LEU 42 N 0.91 1.07 -1.61 2.25 3.38 -0.95 -1.04 115.31 119.32 1uf0 h LEU 42 Ca 0.14 -0.28 -0.03 0.00 0.09 0.00 0.00 57.88 57.81 1uf0 h LEU 42 Cb 0.65 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 1uf0 h LEU 42 CO 0.05 1.08 -0.10 0.00 0.09 0.00 0.00 178.44 179.55 1uf0 h ALA 43 N 1.03 1.68 0.10 1.53 0.00 -1.16 -1.41 119.26 121.04 1uf0 h ALA 43 Ca 0.19 -0.14 -0.27 0.00 0.00 0.00 0.00 54.91 54.69 1uf0 h ALA 43 Cb 0.49 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 1uf0 h ALA 43 CO 0.02 0.24 -1.30 0.22 0.00 0.00 0.00 179.25 178.43 1uf0 h ASP 44 N 0.12 0.33 -0.30 0.00 3.58 -1.18 -3.21 116.42 115.75 1uf0 h ASP 44 Ca 0.03 -0.39 -0.06 0.00 0.42 0.00 0.00 57.03 57.03 1uf0 h ASP 44 Cb 0.26 -0.11 -0.01 0.00 1.72 0.00 0.00 39.33 41.19 1uf0 h ASP 44 CO 0.02 1.31 -0.05 -0.07 -2.88 0.00 0.00 179.24 177.56 1uf0 h LEU 45 N 0.06 0.57 -1.78 2.28 3.38 -0.74 -2.57 115.31 116.50 1uf0 h LEU 45 Ca -0.15 -0.35 -0.02 0.00 0.09 0.00 0.00 57.88 57.45 1uf0 h LEU 45 Cb 1.95 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 42.55 1uf0 h LEU 45 CO 0.18 0.78 -0.09 0.74 0.09 0.00 0.00 178.44 180.14 1uf0 h THR 46 N 0.34 1.07 0.00 0.22 2.02 -1.39 0.48 112.91 115.66 1uf0 h THR 46 Ca 0.08 -0.34 -0.15 0.00 0.77 0.00 0.00 66.41 66.77 1uf0 h THR 46 Cb 0.52 1.16 -0.02 0.00 -1.74 0.00 0.00 68.15 68.07 1uf0 h THR 46 CO 0.03 0.10 -0.70 -0.09 0.37 0.00 0.00 175.52 175.23 1uf0 h ARG 47 N 0.03 0.00 0.00 6.66 2.43 -1.51 -3.16 114.38 118.83 1uf0 h ARG 47 Ca 0.01 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.18 1uf0 h ARG 47 Cb 0.17 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.72 1uf0 h ARG 47 CO 0.01 0.70 0.00 0.25 -1.51 0.00 0.00 179.97 179.42 1uf0 n THR 48 N -3.69 0.00 0.02 0.20 -2.24 -0.64 -4.82 114.28 103.11 1uf0 n THR 48 Ca -0.01 0.35 -0.01 0.00 -2.27 0.00 0.00 64.05 62.11 1uf0 n THR 48 Cb 0.69 -1.31 -0.00 0.00 -2.10 0.00 0.00 70.33 67.60 1uf0 n THR 48 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 1uf0 h LEU 49 N 0.00 -0.06-10.01 3.22 3.38 -0.29 -3.43 115.31 108.12 1uf0 h LEU 49 Ca 0.00 0.00 -0.56 0.00 0.09 0.00 0.00 57.88 57.42 1uf0 h LEU 49 Cb 0.00 0.02 0.14 0.00 0.09 0.00 0.00 40.66 40.91 1uf0 h LEU 49 CO 0.00 -0.04 0.56 -0.24 0.09 0.00 0.00 178.44 178.82 1uf0 n SER 50 N -2.28 2.56 0.00 -0.43 2.88 -1.12 -4.92 113.62 110.32 1uf0 n SER 50 Ca -0.01 0.98 0.00 0.00 -1.33 0.00 0.00 58.87 58.51 1uf0 n SER 50 Cb 0.03 -1.56 0.00 0.00 -0.75 0.00 0.00 64.21 61.93 1uf0 n SER 50 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 1uf0 n ASP 51 N -0.89 0.00 0.00 -3.46 -0.08 -1.24 -4.34 116.55 106.54 1uf0 n ASP 51 Ca 0.10 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.38 1uf0 n ASP 51 Cb 0.44 0.09 0.00 0.00 2.34 0.00 0.00 41.12 43.99 1uf0 n ASP 51 CO 0.00 0.00 0.00 -3.20 0.12 0.00 0.00 177.20 174.12 1uf0 n ASN 52 N -2.41 0.00 0.19 1.67 5.15 -1.25 -4.82 115.26 113.78 1uf0 n ASN 52 Ca 0.00 0.00 -0.08 0.00 -0.60 0.00 0.00 54.58 53.90 1uf0 n ASN 52 Cb 0.00 0.06 -0.04 0.00 -0.53 0.00 0.00 39.78 39.27 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 0.00 0.00 3.44 2.07 -1.98 -3.15 116.25 116.63 1uf0 h VAL 53 Ca 0.00 -0.30 0.00 0.00 0.82 0.00 0.00 66.70 67.22 1uf0 h VAL 53 Cb 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 29.77 1uf0 h VAL 53 CO 0.00 0.00 0.00 -3.20 0.02 0.00 0.00 177.57 174.39 1uf0 n ASN 54 N -4.24 0.00 -4.10 0.57 2.85 -1.26 -4.52 115.26 104.55 1uf0 n ASN 54 Ca -0.06 0.78 -0.37 0.00 -0.11 0.00 0.00 54.58 54.82 1uf0 n ASN 54 Cb 0.20 -0.41 -0.10 0.00 1.24 0.00 0.00 39.78 40.72 1uf0 n ASN 54 CO 0.00 0.00 0.00 -0.76 -2.11 0.00 0.00 177.26 174.39 1uf0 s LEU 55 N -3.47 5.27 0.27 1.20 1.43 -1.26 -4.93 118.68 117.19 1uf0 s LEU 55 Ca 0.00 -2.73 0.04 0.00 -1.03 0.00 0.00 54.13 50.41 1uf0 s LEU 55 Cb 0.00 -1.86 0.37 0.00 0.03 0.00 0.00 46.19 44.73 1uf0 s LEU 55 CO 0.00 -0.40 1.66 1.55 0.23 0.00 0.00 176.35 179.39 1uf0 h PRO 56 N 7.19 0.31 0.02 1.29 0.13 -1.78 -3.27 132.00 135.90 1uf0 h PRO 56 Ca -0.03 -0.16 -0.04 0.00 -0.87 0.00 0.00 66.00 64.90 1uf0 h PRO 56 Cb 0.97 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.10 1uf0 h PRO 56 CO 0.71 0.69 -0.17 1.96 -0.23 0.00 0.00 178.00 180.97 1uf0 h GLN 57 N 0.25 0.07 0.00 0.86 4.20 -1.91 -3.46 115.11 115.13 1uf0 h GLN 57 Ca 0.02 -0.11 0.00 0.00 0.06 0.00 0.00 58.65 58.62 1uf0 h GLN 57 Cb 0.88 0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.69 1uf0 h GLN 57 CO 0.07 1.01 0.00 0.41 -0.67 0.00 0.00 178.83 179.65 1uf0 n GLY 58 N 1.48 3.60 3.75 3.46 0.00 -1.23 -5.08 105.19 111.16 1uf0 n GLY 58 Ca -0.11 -1.82 -0.39 0.00 0.00 0.00 0.00 46.02 43.71 1uf0 n GLY 58 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1uf0 n VAL 59 N -1.37 3.72 0.02 1.61 3.14 -1.26 -4.60 118.33 119.59 1uf0 n VAL 59 Ca 0.00 -0.50 0.00 0.00 -2.96 0.00 0.00 64.34 60.88 1uf0 n VAL 59 Cb 0.00 -1.69 0.00 0.00 -1.06 0.00 0.00 33.84 31.09 1uf0 n VAL 59 CO 0.00 0.00 0.00 0.54 -6.46 0.00 0.00 176.83 170.91 1uf0 n ARG 60 N -0.92 0.00 -4.28 1.45 5.12 -0.54 -4.97 116.66 112.53 1uf0 n ARG 60 Ca 0.10 0.00 -0.29 0.00 -1.93 0.00 0.00 57.85 55.72 1uf0 n ARG 60 Cb 0.44 0.00 -0.17 0.00 -1.16 0.00 0.00 32.46 31.58 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 1.55 -0.21 0.55 2.01 -0.61 -5.01 115.64 111.92 1uf0 s THR 61 Ca 0.00 -0.65 -0.06 0.00 0.31 0.00 0.00 61.69 61.29 1uf0 s THR 61 Cb 0.00 -1.44 -0.03 0.00 0.01 0.00 0.00 72.50 71.05 1uf0 s THR 61 CO 0.00 0.45 0.02 -0.63 -0.69 0.00 0.00 174.62 173.77 1uf0 s ILE 62 N 1.20 4.06 0.60 1.82 1.01 -1.24 -0.70 121.20 127.95 1uf0 s ILE 62 Ca -0.02 -0.27 0.06 0.00 0.00 0.00 0.00 60.65 60.42 1uf0 s ILE 62 Cb -0.14 -2.86 0.09 0.00 0.01 0.00 0.00 42.46 39.56 1uf0 s ILE 62 CO -0.06 0.40 0.82 -0.31 0.00 0.00 0.00 174.94 175.80 1uf0 s TYR 63 N 1.17 1.76 0.93 3.97 2.02 0.12 0.87 117.35 128.18 1uf0 s TYR 63 Ca 0.03 -0.49 -0.12 0.00 -0.37 0.00 0.00 57.07 56.12 1uf0 s TYR 63 Cb -0.14 -2.52 0.20 0.00 -0.40 0.00 0.00 41.96 39.10 1uf0 s TYR 63 CO 0.02 -1.21 1.27 0.95 -1.57 0.00 0.00 175.55 175.00 1uf0 s THR 64 N -2.78 2.01 0.32 -0.71 -4.23 -0.36 -0.77 115.64 109.11 1uf0 s THR 64 Ca 0.62 -0.16 0.05 0.00 -1.18 0.00 0.00 61.69 61.02 1uf0 s THR 64 Cb -0.06 -2.84 0.09 0.00 1.34 0.00 0.00 72.50 71.02 1uf0 s THR 64 CO 0.40 0.00 1.78 -0.29 -0.54 0.00 0.00 174.62 175.97 1uf0 h ILE 65 N -1.45 1.25 -0.64 2.99 6.09 -1.90 -2.51 117.51 121.32 1uf0 h ILE 65 Ca -0.42 -1.16 0.00 0.00 -1.37 0.00 0.00 64.86 61.92 1uf0 h ILE 65 Cb 1.23 1.35 0.00 0.00 0.47 0.00 0.00 36.82 39.87 1uf0 h ILE 65 CO 0.34 0.36 0.00 0.47 -3.07 0.00 0.00 178.15 176.25 1uf0 n ASP 66 N -4.15 4.86 -2.04 2.19 8.00 -1.26 -4.92 116.55 119.22 1uf0 n ASP 66 Ca -0.01 -2.49 -0.13 0.00 0.71 0.00 0.00 54.79 52.87 1uf0 n ASP 66 Cb 0.37 -0.59 -0.02 0.00 -0.02 0.00 0.00 41.12 40.85 1uf0 n ASP 66 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1uf0 n GLY 67 N 1.10 0.14 0.02 0.44 0.00 -0.95 -4.85 105.19 101.09 1uf0 n GLY 67 Ca 0.26 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.27 1uf0 n GLY 67 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1uf0 h LEU 68 N 0.00 0.00-10.27 0.99 3.38 -1.91 -3.46 115.31 104.03 1uf0 h LEU 68 Ca -0.29 0.00 -0.45 0.00 0.09 0.00 0.00 57.88 57.23 1uf0 h LEU 68 Cb 1.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.83 1uf0 h LEU 68 CO 0.37 0.23 -0.31 -0.54 0.09 0.00 0.00 178.44 178.27 1uf0 s LYS 69 N -1.32 3.27 -0.16 1.13 3.01 -1.26 -4.95 119.74 119.46 1uf0 s LYS 69 Ca -0.03 -0.75 0.01 0.00 -1.01 0.00 0.00 55.97 54.20 1uf0 s LYS 69 Cb 0.00 -2.78 0.02 0.00 -1.01 0.00 0.00 37.83 34.06 1uf0 s LYS 69 CO 0.04 0.15 -0.20 -1.59 0.51 0.00 0.00 175.35 174.26 1uf0 s LYS 70 N -4.18 2.92 -0.12 1.68 -2.85 -1.26 -1.22 119.74 114.70 1uf0 s LYS 70 Ca 0.41 -0.81 -0.29 0.00 -1.00 0.00 0.00 55.97 54.28 1uf0 s LYS 70 Cb -0.09 -2.47 -0.01 0.00 -2.06 0.00 0.00 37.83 33.19 1uf0 s LYS 70 CO 0.32 -0.15 1.08 0.42 0.10 0.00 0.00 175.35 177.13 1uf0 s ILE 71 N 1.15 4.59 -0.05 3.79 -1.09 0.25 -4.89 121.20 124.95 1uf0 s ILE 71 Ca 0.01 1.89 0.01 0.00 -2.23 0.00 0.00 60.65 60.32 1uf0 s ILE 71 Cb -0.14 -4.21 -0.03 0.00 -1.58 0.00 0.00 42.46 36.49 1uf0 s ILE 71 CO -0.09 -0.05 -0.04 -0.24 -1.23 0.00 0.00 174.94 173.29 1uf0 n SER 72 N 5.46 3.63 -4.47 3.58 2.88 -1.26 -3.62 113.62 119.81 1uf0 n SER 72 Ca 0.10 -0.03 -0.23 0.00 -1.33 0.00 0.00 58.87 57.39 1uf0 n SER 72 Cb 0.47 -0.05 -0.00 0.00 -0.75 0.00 0.00 64.21 63.88 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 -2.63 2.58 0.04 -3.46 7.64 -1.26 -4.93 113.62 111.60 1uf0 n SER 73 Ca -0.09 -2.67 -0.16 0.00 1.01 0.00 0.00 58.87 56.96 1uf0 n SER 73 Cb 0.60 -0.02 -0.14 0.00 -1.01 0.00 0.00 64.21 63.64 1uf0 n SER 73 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 1uf0 h LEU 74 N 0.00 0.32 -1.80 -3.43 3.38 -1.97 -3.33 115.31 108.48 1uf0 h LEU 74 Ca -0.31 -0.50 -0.00 0.00 0.09 0.00 0.00 57.88 57.16 1uf0 h LEU 74 Cb 1.11 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.75 1uf0 h LEU 74 CO 0.48 1.42 0.08 0.44 0.09 0.00 0.00 178.44 180.95 1uf0 h ASP 75 N 0.06 0.18 -0.15 -0.43 3.32 -2.05 -1.39 116.42 115.97 1uf0 h ASP 75 Ca -0.26 -0.01 -0.00 0.00 0.02 0.00 0.00 57.03 56.78 1uf0 h ASP 75 Cb 2.01 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 41.51 1uf0 h ASP 75 CO 0.14 0.15 0.09 1.56 -1.72 0.00 0.00 179.24 179.46 1uf0 h GLN 76 N 0.21 0.21 -7.37 3.56 4.20 -1.99 -3.43 115.11 110.51 1uf0 h GLN 76 Ca 0.05 -0.02 -0.48 0.00 0.06 0.00 0.00 58.65 58.27 1uf0 h GLN 76 Cb 0.02 -0.05 0.14 0.00 0.30 0.00 0.00 27.48 27.89 1uf0 h GLN 76 CO -0.01 0.16 0.27 -0.51 -0.67 0.00 0.00 178.83 178.07 1uf0 s LEU 77 N -9.20 2.21 0.06 1.46 1.43 -0.52 -5.08 118.68 109.04 1uf0 s LEU 77 Ca -0.06 1.35 -0.00 0.00 -1.03 0.00 0.00 54.13 54.39 1uf0 s LEU 77 Cb 0.17 -3.78 -0.04 0.00 0.03 0.00 0.00 46.19 42.58 1uf0 s LEU 77 CO 0.70 -2.55 -0.04 -0.69 0.23 0.00 0.00 176.35 174.00 1uf0 s VAL 78 N -3.02 0.31 -0.20 -1.59 1.01 -1.26 -5.06 120.40 110.59 1uf0 s VAL 78 Ca 0.63 -1.70 -0.29 0.00 0.00 0.00 0.00 61.98 60.62 1uf0 s VAL 78 Cb -0.17 -1.37 -0.04 0.00 0.00 0.00 0.00 36.38 34.80 1uf0 s VAL 78 CO 0.56 -0.90 1.83 -0.70 0.00 0.00 0.00 175.10 175.90 1uf0 s GLU 79 N -3.53 3.62 -0.07 2.72 -6.30 -1.26 -3.72 118.70 110.15 1uf0 s GLU 79 Ca 0.05 1.84 -0.01 0.00 -2.50 0.00 0.00 54.97 54.35 1uf0 s GLU 79 Cb 0.05 -4.16 0.00 0.00 0.00 0.00 0.00 34.13 30.02 1uf0 s GLU 79 CO -0.08 -1.52 0.08 0.41 0.02 0.00 0.00 175.26 174.17 1uf0 n GLY 80 N 5.02 -0.55 3.40 -1.50 0.00 0.20 -4.88 105.19 106.88 1uf0 n GLY 80 Ca 0.22 -0.05 -0.16 0.00 0.00 0.00 0.00 46.02 46.03 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 -2.28 1.82 0.05 1.61 0.41 -1.22 -5.04 118.70 114.05 1uf0 s GLU 81 Ca 0.01 -1.84 0.04 0.00 -0.41 0.00 0.00 54.97 52.77 1uf0 s GLU 81 Cb -0.00 0.39 -0.02 0.00 -1.78 0.00 0.00 34.13 32.72 1uf0 s GLU 81 CO 0.09 -0.72 -0.13 -1.12 -0.49 0.00 0.00 175.26 172.89 1uf0 s SER 82 N -3.28 1.51 0.03 -0.19 0.01 -1.26 -1.01 113.70 109.51 1uf0 s SER 82 Ca 0.35 -0.50 -0.20 0.00 1.31 0.00 0.00 55.95 56.91 1uf0 s SER 82 Cb 0.01 -0.07 0.04 0.00 0.21 0.00 0.00 66.02 66.21 1uf0 s SER 82 CO 0.23 -0.03 0.46 -0.31 0.41 0.00 0.00 173.24 173.99 1uf0 s TYR 83 N -1.01 -0.34 -0.23 2.43 1.51 0.43 -3.60 117.35 116.54 1uf0 s TYR 83 Ca -0.01 0.38 -0.06 0.00 -1.01 0.00 0.00 57.07 56.37 1uf0 s TYR 83 Cb -0.08 0.26 -0.02 0.00 -0.11 0.00 0.00 41.96 42.01 1uf0 s TYR 83 CO 0.01 -0.58 0.01 0.08 -1.11 0.00 0.00 175.55 173.97 1uf0 s VAL 84 N -2.25 3.85 0.45 0.71 1.01 0.05 -0.53 120.40 123.68 1uf0 s VAL 84 Ca -0.07 -0.33 -0.23 0.00 0.00 0.00 0.00 61.98 61.36 1uf0 s VAL 84 Cb -0.01 -2.78 -0.08 0.00 0.00 0.00 0.00 36.38 33.51 1uf0 s VAL 84 CO -0.01 0.38 1.13 0.00 0.00 0.00 0.00 175.10 176.61 1uf0 s GLY 86 N -1.45 0.37 0.08 0.00 0.00 0.12 -3.05 107.32 103.40 1uf0 s GLY 86 Ca 0.63 -0.75 0.00 0.00 0.00 0.00 0.00 44.72 44.60 1uf0 s GLY 86 CO 0.32 -0.70 0.00 -1.26 0.00 0.00 0.00 173.10 171.46 1uf0 n SER 87 N -0.25 0.05 0.00 1.64 2.88 -1.26 -1.46 113.62 115.21 1uf0 n SER 87 Ca -0.07 0.13 0.00 0.00 -1.33 0.00 0.00 58.87 57.60 1uf0 n SER 87 Cb 0.63 0.07 0.00 0.00 -0.75 0.00 0.00 64.21 64.16 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 -2.82 0.00 -1.71 2.46 -6.64 -1.26 -4.64 119.36 104.75 1uf0 n ILE 88 Ca 0.00 0.00 -0.37 0.00 -1.77 0.00 0.00 62.75 60.61 1uf0 n ILE 88 Cb 0.00 -0.43 0.06 0.00 -1.44 0.00 0.00 39.64 37.83 1uf0 n ILE 88 CO 0.00 0.00 0.00 -1.84 -1.77 0.00 0.00 176.55 172.94 1uf0 n GLU 89 N -2.18 1.14 -1.25 6.28 0.00 -1.26 -4.98 120.64 118.39 1uf0 n GLU 89 Ca 0.00 0.44 -0.30 0.00 0.00 0.00 0.00 57.16 57.30 1uf0 n GLU 89 Cb 0.25 -2.49 0.11 0.00 0.00 0.00 0.00 31.44 29.31 1uf0 n GLU 89 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.13 175.88 1uf0 s PRO 90 N -3.24 1.77 0.71 3.44 0.04 -1.26 -5.00 135.00 131.46 1uf0 s PRO 90 Ca 0.81 0.98 -0.14 0.00 0.04 0.00 0.00 61.00 62.68 1uf0 s PRO 90 Cb -0.39 -1.86 0.03 0.00 0.04 0.00 0.00 34.50 32.32 1uf0 s PRO 90 CO 0.42 -1.93 1.15 0.12 0.04 0.00 0.00 177.00 176.80 1uf0 s PHE 91 N -2.93 2.34 -0.02 0.56 2.19 -1.26 -4.96 117.98 113.91 1uf0 s PHE 91 Ca 0.62 1.59 0.01 0.00 0.33 0.00 0.00 56.93 59.48 1uf0 s PHE 91 Cb -0.17 -3.28 0.01 0.00 -1.31 0.00 0.00 43.02 38.26 1uf0 s PHE 91 CO 0.56 -2.10 -0.04 0.15 1.83 0.00 0.00 175.22 175.62 1uf0 s LYS 92 N -4.13 0.52 -0.43 10.12 1.02 -1.26 -5.07 119.74 120.51 1uf0 s LYS 92 Ca 0.69 -0.13 -0.26 0.00 0.02 0.00 0.00 55.97 56.29 1uf0 s LYS 92 Cb -0.23 -0.54 0.02 0.00 -0.52 0.00 0.00 37.83 36.56 1uf0 s LYS 92 CO 0.45 0.03 0.97 0.21 -0.92 0.00 0.00 175.35 176.09 1uf0 s LYS 93 N 0.30 3.68 0.04 1.68 2.36 -1.26 -4.82 119.74 121.72 1uf0 s LYS 93 Ca -0.03 0.40 -0.00 0.00 -2.55 0.00 0.00 55.97 53.78 1uf0 s LYS 93 Cb -0.07 -3.88 -0.03 0.00 -1.05 0.00 0.00 37.83 32.80 1uf0 s LYS 93 CO -0.00 -1.15 -0.03 -0.51 1.55 0.00 0.00 175.35 175.21 1uf0 s LEU 94 N 3.78 2.39 -0.77 5.43 1.43 -1.26 -5.10 118.68 124.57 1uf0 s LEU 94 Ca 0.39 -0.80 -0.20 0.00 -1.03 0.00 0.00 54.13 52.49 1uf0 s LEU 94 Cb -0.10 0.15 0.10 0.00 0.03 0.00 0.00 46.19 46.37 1uf0 s LEU 94 CO 0.24 -0.47 0.99 -1.61 0.23 0.00 0.00 176.35 175.73 1uf0 s GLU 95 N -2.93 3.32 -0.14 1.70 8.01 -1.26 -4.83 118.70 122.57 1uf0 s GLU 95 Ca -0.02 -1.34 -0.11 0.00 0.01 0.00 0.00 54.97 53.51 1uf0 s GLU 95 Cb 0.01 -4.54 -0.25 0.00 -4.31 0.00 0.00 34.13 25.04 1uf0 s GLU 95 CO -0.06 -1.75 0.36 1.88 0.01 0.00 0.00 175.26 175.70 1uf0 h TYR 96 N 9.16 0.38 -0.40 1.61 -1.99 -1.95 -3.36 116.97 120.42 1uf0 h TYR 96 Ca -0.09 -0.28 0.12 0.00 2.00 0.00 0.00 58.73 60.48 1uf0 h TYR 96 Cb 1.05 -0.02 -0.02 0.00 2.00 0.00 0.00 36.73 39.75 1uf0 h TYR 96 CO 1.03 1.70 0.30 1.79 -0.00 0.00 0.00 178.16 182.99 1uf0 h THR 97 N -0.21 0.73 0.00 -2.88 1.35 -1.92 0.12 112.91 110.09 1uf0 h THR 97 Ca -0.39 0.00 -0.08 0.00 -0.55 0.00 0.00 66.41 65.38 1uf0 h THR 97 Cb 1.84 0.78 -0.01 0.00 -1.73 0.00 0.00 68.15 69.04 1uf0 h THR 97 CO 0.02 0.00 -0.40 0.50 -0.25 0.00 0.00 175.52 175.39 1uf0 h LYS 98 N 0.00 0.00 -1.03 4.72 3.64 -1.97 -2.93 116.57 119.00 1uf0 h LYS 98 Ca 0.19 0.00 -0.61 0.00 -1.27 0.00 0.00 60.65 58.96 1uf0 h LYS 98 Cb 0.79 0.00 -0.28 0.00 -0.41 0.00 0.00 32.23 32.33 1uf0 h LYS 98 CO -0.00 0.40 0.78 0.09 -2.27 0.00 0.00 179.45 178.45 1uf0 n ASN 99 N -3.89 6.45 -3.69 4.20 3.02 0.42 -4.90 115.26 116.86 1uf0 n ASN 99 Ca -0.01 -3.68 -0.14 0.00 -0.03 0.00 0.00 54.58 50.72 1uf0 n ASN 99 Cb 0.45 -0.94 -0.09 0.00 -0.61 0.00 0.00 39.78 38.60 1uf0 n ASN 99 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1uf0 s VAL 100 N -4.20 0.01 -0.26 2.41 1.01 -1.11 -4.62 120.40 113.65 1uf0 s VAL 100 Ca 0.60 -0.11 -0.08 0.00 0.00 0.00 0.00 61.98 62.39 1uf0 s VAL 100 Cb 0.48 -0.72 -0.02 0.00 0.00 0.00 0.00 36.38 36.12 1uf0 s VAL 100 CO 0.03 -0.06 0.09 0.20 0.00 0.00 0.00 175.10 175.35 1uf0 s ASN 101 N -0.34 5.22 -0.77 3.32 0.01 -1.26 -4.95 114.94 116.17 1uf0 s ASN 101 Ca -0.05 -0.28 -0.24 0.00 -0.71 0.00 0.00 52.86 51.58 1uf0 s ASN 101 Cb -0.03 -1.94 -0.16 0.00 0.41 0.00 0.00 41.25 39.53 1uf0 s ASN 101 CO 0.03 -0.07 2.39 -2.65 -1.51 0.00 0.00 177.10 175.30 1uf0 n PRO 102 N 4.93 0.55 -1.71 -0.60 -0.02 -1.26 -4.36 135.00 132.54 1uf0 n PRO 102 Ca -0.16 -0.53 -0.01 0.00 -2.02 0.00 0.00 63.50 60.78 1uf0 n PRO 102 Cb 0.51 -3.18 0.04 0.00 -0.02 0.00 0.00 33.50 30.85 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 16.01 -0.57 -0.02 2.55 5.15 -1.26 -4.96 115.26 132.16 1uf0 n ASN 103 Ca 0.49 -1.36 -0.03 0.00 -0.60 0.00 0.00 54.58 53.08 1uf0 n ASN 103 Cb 0.39 0.25 -0.02 0.00 -0.53 0.00 0.00 39.78 39.88 1uf0 n ASN 103 CO 0.00 0.00 0.00 -2.67 1.40 0.00 0.00 177.26 175.99 1uf0 n TRP 104 N -0.51 0.00 -1.28 1.20 4.27 -1.26 -4.19 117.44 115.67 1uf0 n TRP 104 Ca -0.08 0.00 -0.23 0.00 -3.89 0.00 0.00 57.50 53.30 1uf0 n TRP 104 Cb 0.61 -0.17 0.17 0.00 -1.36 0.00 0.00 31.31 30.56 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 -2.61 3.98 0.02 -0.67 2.88 -1.26 -4.52 113.62 111.43 1uf0 n SER 105 Ca -0.08 -3.65 0.00 0.00 -1.33 0.00 0.00 58.87 53.81 1uf0 n SER 105 Cb 0.59 -0.82 0.00 0.00 -0.75 0.00 0.00 64.21 63.22 1uf0 n SER 105 CO 0.00 0.00 0.00 1.33 -1.23 0.00 0.00 175.04 175.14 1uf0 n VAL 106 N -1.12 0.00 0.00 2.46 0.24 -1.26 -5.03 118.33 113.62 1uf0 n VAL 106 Ca 0.57 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.87 1uf0 n VAL 106 Cb 1.49 -0.17 0.00 0.00 -1.47 0.00 0.00 33.84 33.69 1uf0 n VAL 106 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 1uf0 n ASN 107 N -2.58 0.00 -3.65 -1.34 5.03 -1.26 -4.44 115.26 107.02 1uf0 n ASN 107 Ca 0.00 0.00 -0.09 0.00 0.87 0.00 0.00 54.58 55.36 1uf0 n ASN 107 Cb 0.00 0.00 -0.08 0.00 -1.02 0.00 0.00 39.78 38.68 1uf0 n ASN 107 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 1uf0 s VAL 108 N 0.00 -0.00 0.00 2.41 0.11 -1.26 -5.02 120.40 116.63 1uf0 s VAL 108 Ca 0.00 0.01 0.00 0.00 -2.93 0.00 0.00 61.98 59.06 1uf0 s VAL 108 Cb 0.00 -0.93 0.00 0.00 -1.53 0.00 0.00 36.38 33.92 1uf0 s VAL 108 CO 0.00 0.01 0.00 0.29 -3.33 0.00 0.00 175.10 172.07 1uf0 n LYS 109 N 4.06 0.00 -2.69 1.54 5.02 -1.26 -5.13 118.16 119.70 1uf0 n LYS 109 Ca -0.20 0.00 -0.34 0.00 -2.02 0.00 0.00 58.31 55.76 1uf0 n LYS 109 Cb 0.58 0.00 -0.05 0.00 -0.02 0.00 0.00 35.03 35.54 1uf0 n LYS 109 CO 0.00 0.00 0.00 -0.08 -0.52 0.00 0.00 177.40 176.80 1uf0 s THR 110 N -1.40 4.10 -0.21 -0.18 -1.32 -1.26 -5.06 115.64 110.31 1uf0 s THR 110 Ca 0.00 1.32 -0.04 0.00 -1.21 0.00 0.00 61.69 61.76 1uf0 s THR 110 Cb 0.00 -3.54 0.09 0.00 -1.51 0.00 0.00 72.50 67.54 1uf0 s THR 110 CO 0.00 -0.27 0.16 -0.44 -2.21 0.00 0.00 174.62 171.86 1uf0 s SER 111 N -2.07 2.08 0.00 8.08 0.01 -1.26 -5.08 113.70 115.46 1uf0 s SER 111 Ca 0.64 -0.57 0.00 0.00 1.31 0.00 0.00 55.95 57.33 1uf0 s SER 111 Cb -0.13 0.05 0.00 0.00 0.21 0.00 0.00 66.02 66.15 1uf0 s SER 111 CO 0.16 -0.36 0.00 0.61 0.41 0.00 0.00 173.24 174.07 1uf0 n GLY 112 N 5.29 -0.04 3.52 3.44 0.00 -1.26 -4.92 105.19 111.22 1uf0 n GLY 112 Ca -0.06 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.56 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 0.77 0.03 1.61 -0.02 -1.26 -4.80 135.00 131.33 1uf0 n PRO 113 Ca 0.00 0.07 -0.06 0.00 -2.02 0.00 0.00 63.50 61.49 1uf0 n PRO 113 Cb 0.00 -2.69 0.13 0.00 -0.02 0.00 0.00 33.50 30.92 1uf0 n PRO 113 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1uf0 h SER 114 N 15.92 0.47 -3.59 2.55 4.64 -2.05 -3.40 113.55 128.09 1uf0 h SER 114 Ca -0.20 -0.22 -0.70 0.00 -0.47 0.00 0.00 61.79 60.20 1uf0 h SER 114 Cb 1.29 -0.13 -0.22 0.00 -0.31 0.00 0.00 62.40 63.03 1uf0 h SER 114 CO 1.20 0.86 -0.48 -0.55 -0.87 0.00 0.00 176.83 176.98 1uf0 s SER 115 N -6.88 5.90 0.00 4.97 0.15 -1.26 -5.28 113.70 111.30 1uf0 s SER 115 Ca -0.06 -0.80 0.00 0.00 0.70 0.00 0.00 55.95 55.79 1uf0 s SER 115 Cb 0.12 -2.09 0.00 0.00 -1.71 0.00 0.00 66.02 62.35 1uf0 s SER 115 CO 0.81 -0.35 0.00 0.61 1.20 0.00 0.00 173.24 175.51