#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 5.19 0.00 1.61 1.04 -1.26 -4.63 113.70 115.65 1uf0 s SER 2 Ca 0.00 -3.52 0.00 0.00 0.48 0.00 0.00 55.95 52.91 1uf0 s SER 2 Cb 0.00 -1.76 0.00 0.00 0.10 0.00 0.00 66.02 64.36 1uf0 s SER 2 CO 0.00 -0.18 0.00 -1.20 0.98 0.00 0.00 173.24 172.84 1uf0 n SER 3 N 2.51 0.00 -0.85 7.02 7.64 -1.26 -5.08 113.62 123.59 1uf0 n SER 3 Ca 0.16 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.04 1uf0 n SER 3 Cb 0.36 0.03 0.00 0.00 -1.01 0.00 0.00 64.21 63.59 1uf0 n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1uf0 n GLY 4 N -0.84 0.19 3.01 0.23 0.00 -1.26 -5.08 105.19 101.44 1uf0 n GLY 4 Ca 0.00 -0.43 -0.31 0.00 0.00 0.00 0.00 46.02 45.28 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 -2.00 4.60 0.11 1.61 0.15 -1.26 -4.97 113.70 111.93 1uf0 s SER 5 Ca 0.00 -1.89 -0.13 0.00 0.70 0.00 0.00 55.95 54.63 1uf0 s SER 5 Cb 0.00 -1.54 -0.12 0.00 -1.71 0.00 0.00 66.02 62.65 1uf0 s SER 5 CO 0.00 -0.33 1.36 -1.28 1.20 0.00 0.00 173.24 174.19 1uf0 h SER 6 N 7.69 0.91 -1.80 5.45 0.87 -2.04 -3.50 113.55 121.13 1uf0 h SER 6 Ca -0.09 -0.56 0.00 0.00 -1.23 0.00 0.00 61.79 59.91 1uf0 h SER 6 Cb 1.03 -0.26 0.00 0.00 -0.44 0.00 0.00 62.40 62.72 1uf0 h SER 6 CO 0.50 1.30 0.00 0.61 -0.53 0.00 0.00 176.83 178.71 1uf0 n GLY 7 N 0.46 -0.46 0.84 5.77 0.00 -1.26 -5.00 105.19 105.55 1uf0 n GLY 7 Ca -0.05 -1.55 -0.02 0.00 0.00 0.00 0.00 46.02 44.40 1uf0 n GLY 7 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1uf0 n LYS 8 N -0.25 0.00 -2.83 1.61 4.81 -1.26 -5.02 118.16 115.22 1uf0 n LYS 8 Ca 0.00 -0.87 -0.44 0.00 -0.87 0.00 0.00 58.31 56.14 1uf0 n LYS 8 Cb 0.00 0.07 0.00 0.00 0.02 0.00 0.00 35.03 35.12 1uf0 n LYS 8 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 1uf0 n LYS 9 N 0.09 3.49 -2.14 1.64 5.02 -1.26 -4.81 118.16 120.19 1uf0 n LYS 9 Ca -0.08 -3.84 0.00 0.00 -2.02 0.00 0.00 58.31 52.37 1uf0 n LYS 9 Cb 0.72 -2.96 0.00 0.00 -0.02 0.00 0.00 35.03 32.77 1uf0 n LYS 9 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1uf0 n ALA 10 N 4.82 -2.07 -2.60 7.82 0.00 -1.26 -4.84 120.51 122.38 1uf0 n ALA 10 Ca 0.36 0.46 -0.43 0.00 0.00 0.00 0.00 53.44 53.84 1uf0 n ALA 10 Cb 0.40 -1.41 -0.02 0.00 0.00 0.00 0.00 19.45 18.43 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 -0.72 3.72 -0.09 0.00 3.01 0.14 -4.65 119.74 121.16 1uf0 s LYS 11 Ca 0.00 0.56 -0.30 0.00 -1.01 0.00 0.00 55.97 55.22 1uf0 s LYS 11 Cb 0.00 -3.91 -0.04 0.00 -1.01 0.00 0.00 37.83 32.87 1uf0 s LYS 11 CO 0.00 -1.39 1.40 0.15 0.51 0.00 0.00 175.35 176.03 1uf0 s LYS 12 N 4.47 4.23 -0.02 1.68 -0.14 -1.26 -1.15 119.74 127.56 1uf0 s LYS 12 Ca 0.48 1.88 -0.01 0.00 -1.36 0.00 0.00 55.97 56.96 1uf0 s LYS 12 Cb -0.07 -3.78 0.02 0.00 -1.68 0.00 0.00 37.83 32.32 1uf0 s LYS 12 CO 0.32 -0.71 0.05 0.14 -0.76 0.00 0.00 175.35 174.39 1uf0 s VAL 13 N 3.38 -0.04 -0.19 3.17 -7.23 0.16 -1.16 120.40 118.50 1uf0 s VAL 13 Ca 0.62 0.13 -0.08 0.00 -1.81 0.00 0.00 61.98 60.84 1uf0 s VAL 13 Cb -0.27 -0.09 -0.04 0.00 0.56 0.00 0.00 36.38 36.53 1uf0 s VAL 13 CO 0.22 0.05 0.09 -0.60 -0.31 0.00 0.00 175.10 174.55 1uf0 s ARG 14 N 0.69 4.06 -0.15 4.82 3.52 -0.52 0.66 118.95 132.02 1uf0 s ARG 14 Ca -0.06 -0.29 -0.02 0.00 -0.13 0.00 0.00 55.73 55.23 1uf0 s ARG 14 Cb -0.08 -3.29 -0.02 0.00 -1.56 0.00 0.00 34.95 30.00 1uf0 s ARG 14 CO -0.02 0.29 -0.09 -0.06 -0.81 0.00 0.00 175.30 174.61 1uf0 s PHE 15 N 0.36 2.90 0.51 5.12 0.08 -0.18 -0.06 117.98 126.71 1uf0 s PHE 15 Ca 0.05 -0.60 0.05 0.00 0.12 0.00 0.00 56.93 56.55 1uf0 s PHE 15 Cb -0.12 -1.92 0.02 0.00 -0.57 0.00 0.00 43.02 40.42 1uf0 s PHE 15 CO -0.01 -0.22 0.33 0.71 -0.10 0.00 0.00 175.22 175.93 1uf0 s TYR 16 N 0.56 1.86 -0.22 0.36 2.02 -0.68 -1.81 117.35 119.44 1uf0 s TYR 16 Ca -0.06 -0.80 -0.12 0.00 -0.37 0.00 0.00 57.07 55.72 1uf0 s TYR 16 Cb -0.15 -1.90 -0.05 0.00 -0.40 0.00 0.00 41.96 39.46 1uf0 s TYR 16 CO 0.03 -0.28 0.23 0.50 -1.57 0.00 0.00 175.55 174.46 1uf0 s ARG 17 N -4.17 4.13 -0.34 -0.62 6.06 -1.26 -2.25 118.95 120.49 1uf0 s ARG 17 Ca 0.33 -0.10 -0.27 0.00 -2.50 0.00 0.00 55.73 53.18 1uf0 s ARG 17 Cb -0.01 -3.52 -0.06 0.00 0.06 0.00 0.00 34.95 31.43 1uf0 s ARG 17 CO 0.20 0.08 2.31 1.21 -2.50 0.00 0.00 175.30 176.59 1uf0 s ASN 18 N 0.92 4.97 0.00 -2.12 2.47 -1.21 -1.99 114.94 117.99 1uf0 s ASN 18 Ca 0.12 1.52 0.00 0.00 0.42 0.00 0.00 52.86 54.91 1uf0 s ASN 18 Cb -0.13 -2.51 0.00 0.00 -1.45 0.00 0.00 41.25 37.16 1uf0 s ASN 18 CO 0.05 -2.40 0.00 0.61 -3.72 0.00 0.00 177.10 171.64 1uf0 n GLY 19 N 5.88 0.94 3.07 1.21 0.00 -1.26 -4.98 105.19 110.05 1uf0 n GLY 19 Ca 0.33 -0.20 -0.00 0.00 0.00 0.00 0.00 46.02 46.15 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 -2.23 -0.89 -0.03 1.61 2.15 -0.84 -5.02 116.67 111.42 1uf0 s ASP 20 Ca 0.00 0.36 0.11 0.00 0.43 0.00 0.00 52.55 53.45 1uf0 s ASP 20 Cb 0.00 1.78 -0.23 0.00 -0.30 0.00 0.00 42.92 44.16 1uf0 s ASP 20 CO 0.00 -0.29 0.72 0.08 -0.17 0.00 0.00 175.17 175.51 1uf0 h ARG 21 N 8.06 0.02 -0.48 4.34 -0.00 -1.95 -3.35 114.38 121.01 1uf0 h ARG 21 Ca -0.14 -0.03 0.00 0.00 -0.00 0.00 0.00 59.98 59.82 1uf0 h ARG 21 Cb 1.16 0.01 -0.02 0.00 -0.00 0.00 0.00 29.97 31.12 1uf0 h ARG 21 CO 0.23 0.59 0.32 1.88 -0.00 0.00 0.00 179.97 182.99 1uf0 h TYR 22 N 0.00 0.61 -2.97 4.08 -1.99 -1.97 -3.42 116.97 111.31 1uf0 h TYR 22 Ca -0.26 0.01 -0.52 0.00 2.00 0.00 0.00 58.73 59.96 1uf0 h TYR 22 Cb 1.99 -0.21 0.06 0.00 2.00 0.00 0.00 36.73 40.58 1uf0 h TYR 22 CO 0.00 0.39 0.93 0.12 -0.00 0.00 0.00 178.16 179.60 1uf0 s PHE 23 N -5.56 2.89 0.20 4.88 5.36 -1.26 -4.90 117.98 119.58 1uf0 s PHE 23 Ca -0.09 0.58 0.06 0.00 -0.96 0.00 0.00 56.93 56.53 1uf0 s PHE 23 Cb 0.17 -4.06 0.10 0.00 -0.34 0.00 0.00 43.02 38.89 1uf0 s PHE 23 CO 0.74 -3.82 1.45 0.87 -1.46 0.00 0.00 175.22 173.00 1uf0 h LYS 24 N 6.01 0.09 0.00 10.12 1.57 -1.92 -3.48 116.57 128.96 1uf0 h LYS 24 Ca -0.44 -0.09 0.00 0.00 -1.87 0.00 0.00 60.65 58.24 1uf0 h LYS 24 Cb 1.21 0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.54 1uf0 h LYS 24 CO 0.88 0.83 0.00 0.41 -0.57 0.00 0.00 179.45 181.00 1uf0 n GLY 25 N 0.71 1.59 2.99 3.86 0.00 -1.26 -5.01 105.19 108.06 1uf0 n GLY 25 Ca -0.02 -2.00 -0.24 0.00 0.00 0.00 0.00 46.02 43.76 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 -2.14 1.03 0.62 -0.61 2.07 -0.75 -4.97 121.20 116.46 1uf0 s ILE 26 Ca 0.00 -0.40 -0.13 0.00 -1.41 0.00 0.00 60.65 58.71 1uf0 s ILE 26 Cb 0.00 -0.97 -0.03 0.00 0.13 0.00 0.00 42.46 41.60 1uf0 s ILE 26 CO 0.00 0.34 1.04 -0.69 -1.91 0.00 0.00 174.94 173.72 1uf0 s VAL 27 N 0.82 4.23 -0.14 4.00 1.01 -1.26 -1.01 120.40 128.05 1uf0 s VAL 27 Ca -0.12 0.85 -0.09 0.00 0.00 0.00 0.00 61.98 62.62 1uf0 s VAL 27 Cb -0.15 -3.56 0.05 0.00 0.00 0.00 0.00 36.38 32.71 1uf0 s VAL 27 CO 0.02 -0.83 0.34 -0.31 0.00 0.00 0.00 175.10 174.32 1uf0 s TYR 28 N -2.88 -0.46 -0.39 5.22 2.02 0.21 -4.90 117.35 116.17 1uf0 s TYR 28 Ca 0.59 1.03 -0.06 0.00 -0.37 0.00 0.00 57.07 58.26 1uf0 s TYR 28 Cb -0.13 0.16 0.08 0.00 -0.40 0.00 0.00 41.96 41.67 1uf0 s TYR 28 CO 0.47 -0.27 0.19 0.00 -1.57 0.00 0.00 175.55 174.37 1uf0 s ALA 29 N 1.02 3.15 -0.84 3.71 0.00 -1.26 0.38 121.76 127.92 1uf0 s ALA 29 Ca -0.07 -2.19 -0.25 0.00 0.00 0.00 0.00 51.96 49.45 1uf0 s ALA 29 Cb -0.07 -2.43 0.04 0.00 0.00 0.00 0.00 23.12 20.66 1uf0 s ALA 29 CO -0.08 -1.62 1.30 0.42 0.00 0.00 0.00 175.76 175.79 1uf0 s ILE 30 N 1.30 3.88 0.09 0.00 -1.09 -0.30 -4.70 121.20 120.39 1uf0 s ILE 30 Ca 0.03 -0.14 0.06 0.00 -2.23 0.00 0.00 60.65 58.38 1uf0 s ILE 30 Cb -0.22 -4.94 -0.04 0.00 -1.58 0.00 0.00 42.46 35.68 1uf0 s ILE 30 CO -0.01 -1.84 -0.09 -0.44 -1.23 0.00 0.00 174.94 171.34 1uf0 s SER 31 N 4.14 4.48 0.31 3.58 0.01 -1.26 -0.68 113.70 124.29 1uf0 s SER 31 Ca 0.37 -0.34 0.05 0.00 1.31 0.00 0.00 55.95 57.35 1uf0 s SER 31 Cb -0.06 -0.90 0.70 0.00 0.21 0.00 0.00 66.02 65.97 1uf0 s SER 31 CO 0.05 0.19 1.83 -0.65 0.41 0.00 0.00 173.24 175.07 1uf0 h PRO 32 N 3.68 0.81 -1.15 12.44 0.11 -1.88 -0.91 132.00 145.11 1uf0 h PRO 32 Ca -0.49 -0.05 -0.59 0.00 0.11 0.00 0.00 66.00 64.98 1uf0 h PRO 32 Cb 1.17 -0.18 -0.25 0.00 0.11 0.00 0.00 31.00 31.84 1uf0 h PRO 32 CO 0.53 0.53 0.77 -0.25 -0.21 0.00 0.00 178.00 179.37 1uf0 n ASP 33 N -4.63 7.41 0.06 -2.05 8.00 -1.26 -4.34 116.55 119.75 1uf0 n ASP 33 Ca 0.19 -3.61 0.00 0.00 0.71 0.00 0.00 54.79 52.08 1uf0 n ASP 33 Cb 0.45 -1.00 0.00 0.00 -0.02 0.00 0.00 41.12 40.55 1uf0 n ASP 33 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1uf0 n ARG 34 N -0.60 0.00 -3.97 -1.24 1.74 -0.39 -5.06 116.66 107.15 1uf0 n ARG 34 Ca 0.55 0.00 -0.34 0.00 -0.77 0.00 0.00 57.85 57.29 1uf0 n ARG 34 Cb 0.63 0.00 -0.14 0.00 -1.02 0.00 0.00 32.46 31.93 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 -2.00 3.18 -0.02 -1.55 0.08 -0.96 -4.99 117.98 111.73 1uf0 s PHE 35 Ca 0.00 -1.86 -0.19 0.00 0.12 0.00 0.00 56.93 55.00 1uf0 s PHE 35 Cb 0.00 -2.05 -0.11 0.00 -0.57 0.00 0.00 43.02 40.30 1uf0 s PHE 35 CO 0.00 -0.80 0.80 0.00 -0.10 0.00 0.00 175.22 175.12 1uf0 h ARG 36 N 7.95 -0.66 0.00 0.44 3.08 -1.88 -3.45 114.38 119.86 1uf0 h ARG 36 Ca -0.25 0.04 -0.45 0.00 0.07 0.00 0.00 59.98 59.39 1uf0 h ARG 36 Cb 1.07 0.15 -0.10 0.00 0.08 0.00 0.00 29.97 31.17 1uf0 h ARG 36 CO 0.53 -0.43 -0.38 -1.13 -1.07 0.00 0.00 179.97 177.49 1uf0 n SER 37 N -5.23 1.09 0.18 7.04 3.41 -1.26 -5.04 113.62 113.82 1uf0 n SER 37 Ca -0.09 -2.77 0.03 0.00 -0.26 0.00 0.00 58.87 55.78 1uf0 n SER 37 Cb 0.27 0.87 0.39 0.00 -0.26 0.00 0.00 64.21 65.48 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 1.57 0.04 -0.53 7.33 3.57 -1.93 -2.62 116.94 124.37 1uf0 h PHE 38 Ca -0.26 -0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.26 1uf0 h PHE 38 Cb 0.99 -0.01 -0.03 0.00 2.79 0.00 0.00 35.95 39.69 1uf0 h PHE 38 CO 0.00 0.34 0.35 0.93 -2.23 0.00 0.00 178.31 177.71 1uf0 h GLU 39 N 0.03 0.61 -0.15 1.11 5.08 -1.97 -0.93 114.58 118.37 1uf0 h GLU 39 Ca 0.00 -0.04 -0.15 0.00 -1.00 0.00 0.00 59.36 58.17 1uf0 h GLU 39 Cb 0.56 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.66 1uf0 h GLU 39 CO 0.04 0.40 -0.55 0.00 -1.00 0.00 0.00 179.01 177.90 1uf0 h ALA 40 N 1.69 0.77 -0.06 3.43 0.00 -1.88 -2.33 119.26 120.88 1uf0 h ALA 40 Ca 0.21 -0.51 -0.15 0.00 0.00 0.00 0.00 54.91 54.46 1uf0 h ALA 40 Cb 0.07 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1uf0 h ALA 40 CO -0.05 0.69 -0.64 1.25 0.00 0.00 0.00 179.25 180.50 1uf0 h LEU 41 N 0.34 0.25 -0.43 0.00 5.85 -1.29 -2.84 115.31 117.19 1uf0 h LEU 41 Ca 0.01 -0.15 -0.18 0.00 0.84 0.00 0.00 57.88 58.40 1uf0 h LEU 41 Cb 1.08 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 42.03 1uf0 h LEU 41 CO 0.10 0.82 -0.71 -0.07 -0.34 0.00 0.00 178.44 178.24 1uf0 h LEU 42 N 0.16 0.46 -0.34 2.25 3.38 -1.12 -2.08 115.31 118.02 1uf0 h LEU 42 Ca -0.01 -0.30 -0.06 0.00 0.09 0.00 0.00 57.88 57.60 1uf0 h LEU 42 Cb 1.16 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.76 1uf0 h LEU 42 CO 0.10 1.03 -0.02 0.00 0.09 0.00 0.00 178.44 179.64 1uf0 h ALA 43 N 0.96 0.46 -0.29 1.53 0.00 -1.36 -1.61 119.26 118.95 1uf0 h ALA 43 Ca -0.03 -0.26 -0.08 0.00 0.00 0.00 0.00 54.91 54.55 1uf0 h ALA 43 Cb 1.28 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 1uf0 h ALA 43 CO 0.12 0.24 -0.13 -0.44 0.00 0.00 0.00 179.25 179.04 1uf0 h ASP 44 N 0.41 0.61 -0.78 0.00 5.19 -1.53 -2.05 116.42 118.28 1uf0 h ASP 44 Ca 0.09 -0.41 0.01 0.00 -0.62 0.00 0.00 57.03 56.10 1uf0 h ASP 44 Cb 0.48 -0.17 -0.04 0.00 0.18 0.00 0.00 39.33 39.78 1uf0 h ASP 44 CO 0.02 0.88 0.51 -0.07 -3.12 0.00 0.00 179.24 177.46 1uf0 h LEU 45 N 0.34 0.90 -0.74 1.55 3.38 -1.35 -1.79 115.31 117.61 1uf0 h LEU 45 Ca 0.06 -0.03 -0.13 0.00 0.09 0.00 0.00 57.88 57.87 1uf0 h LEU 45 Cb 0.65 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.16 1uf0 h LEU 45 CO 0.04 0.66 -0.60 0.74 0.09 0.00 0.00 178.44 179.38 1uf0 h THR 46 N 1.06 1.41 0.00 0.22 2.02 -1.19 0.74 112.91 117.17 1uf0 h THR 46 Ca 0.29 -2.01 -0.05 0.00 0.77 0.00 0.00 66.41 65.41 1uf0 h THR 46 Cb -0.11 2.05 -0.01 0.00 -1.74 0.00 0.00 68.15 68.34 1uf0 h THR 46 CO -0.06 0.58 -0.22 -0.09 0.37 0.00 0.00 175.52 176.10 1uf0 h ARG 47 N 0.09 0.00 0.00 6.66 1.12 -0.58 -3.33 114.38 118.33 1uf0 h ARG 47 Ca -0.01 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.86 1uf0 h ARG 47 Cb 1.08 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 31.04 1uf0 h ARG 47 CO 0.08 0.22 -0.68 0.25 -3.11 0.00 0.00 179.97 176.73 1uf0 n THR 48 N -4.27 1.38 -2.89 0.20 -2.24 -1.07 -4.84 114.28 100.55 1uf0 n THR 48 Ca -0.02 0.22 -0.44 0.00 -2.27 0.00 0.00 64.05 61.54 1uf0 n THR 48 Cb 0.28 -2.10 -0.02 0.00 -2.10 0.00 0.00 70.33 66.39 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 -7.56 4.90 -0.30 3.22 1.43 0.26 -4.86 118.68 115.77 1uf0 s LEU 49 Ca -0.20 -2.29 -0.17 0.00 -1.03 0.00 0.00 54.13 50.44 1uf0 s LEU 49 Cb 0.03 -2.42 0.18 0.00 0.03 0.00 0.00 46.19 44.01 1uf0 s LEU 49 CO 0.29 -1.01 1.17 -0.55 0.23 0.00 0.00 176.35 176.49 1uf0 s SER 50 N 3.52 -0.23 0.25 2.29 0.15 -1.25 -4.23 113.70 114.20 1uf0 s SER 50 Ca 0.37 0.19 -0.13 0.00 0.70 0.00 0.00 55.95 57.08 1uf0 s SER 50 Cb -0.04 1.21 -0.00 0.00 -1.71 0.00 0.00 66.02 65.48 1uf0 s SER 50 CO -0.06 -0.04 0.48 -1.81 1.20 0.00 0.00 173.24 173.00 1uf0 s ASP 51 N 2.74 -0.08 0.36 5.45 1.11 0.34 -4.99 116.67 121.59 1uf0 s ASP 51 Ca -0.05 -0.94 0.11 0.00 0.18 0.00 0.00 52.55 51.85 1uf0 s ASP 51 Cb -0.07 0.59 0.67 0.00 1.07 0.00 0.00 42.92 45.18 1uf0 s ASP 51 CO -0.11 -1.14 1.81 -1.13 1.18 0.00 0.00 175.17 175.78 1uf0 h ASN 52 N 2.26 0.10 0.70 0.27 -1.24 -1.89 -2.48 115.58 113.30 1uf0 h ASN 52 Ca -0.26 -0.03 -0.26 0.00 0.71 0.00 0.00 56.30 56.45 1uf0 h ASN 52 Cb 1.25 -0.03 -0.01 0.00 0.73 0.00 0.00 38.32 40.26 1uf0 h ASN 52 CO 0.36 0.44 -1.27 0.58 -1.29 0.00 0.00 177.43 176.24 1uf0 h VAL 53 N 0.09 1.44 -3.28 2.57 2.07 -1.99 -3.42 116.25 113.72 1uf0 h VAL 53 Ca 0.01 -3.09 -0.50 0.00 0.82 0.00 0.00 66.70 63.93 1uf0 h VAL 53 Cb 0.64 2.83 -0.39 0.00 -1.52 0.00 0.00 31.29 32.85 1uf0 h VAL 53 CO 0.05 0.87 -0.77 0.21 0.02 0.00 0.00 177.57 177.95 1uf0 s ASN 54 N -6.89 2.57 -0.41 0.57 3.84 -1.10 -4.94 114.94 108.58 1uf0 s ASN 54 Ca -0.04 -0.61 -0.14 0.00 0.21 0.00 0.00 52.86 52.29 1uf0 s ASN 54 Cb 0.08 -0.62 0.02 0.00 -0.55 0.00 0.00 41.25 40.18 1uf0 s ASN 54 CO 0.85 -0.25 0.51 0.18 -2.79 0.00 0.00 177.10 175.60 1uf0 n LEU 55 N 5.04 -7.96 -0.09 3.21 4.77 -1.23 -0.51 117.00 120.23 1uf0 n LEU 55 Ca -0.09 0.67 -0.14 0.00 -0.03 0.00 0.00 56.01 56.42 1uf0 n LEU 55 Cb 0.48 -3.39 -0.03 0.00 -2.33 0.00 0.00 43.42 38.15 1uf0 n LEU 55 CO 0.13 -2.49 0.47 1.55 -1.33 0.00 0.00 177.39 175.72 1uf0 h PRO 56 N 2.16 0.89 0.01 3.23 0.13 -1.70 -2.33 132.00 134.39 1uf0 h PRO 56 Ca -0.00 -0.53 -0.25 0.00 -0.87 0.00 0.00 66.00 64.34 1uf0 h PRO 56 Cb 0.85 0.05 0.01 0.00 0.13 0.00 0.00 31.00 32.04 1uf0 h PRO 56 CO 0.18 1.17 -1.02 1.96 -0.23 0.00 0.00 178.00 180.07 1uf0 h GLN 57 N 0.70 0.57 0.00 0.86 7.50 -1.92 -3.45 115.11 119.37 1uf0 h GLN 57 Ca 0.03 -0.63 0.00 0.00 0.50 0.00 0.00 58.65 58.55 1uf0 h GLN 57 Cb 1.10 0.18 0.00 0.00 0.05 0.00 0.00 27.48 28.81 1uf0 h GLN 57 CO 0.11 1.24 0.00 0.41 -1.50 0.00 0.00 178.83 179.09 1uf0 n GLY 58 N 1.05 0.50 3.35 3.46 0.00 -1.23 -5.08 105.19 107.24 1uf0 n GLY 58 Ca -0.09 -1.50 -0.31 0.00 0.00 0.00 0.00 46.02 44.11 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 -3.34 2.23 0.00 1.61 0.11 -1.26 -4.67 120.40 115.08 1uf0 s VAL 59 Ca 0.00 -1.17 0.00 0.00 -2.93 0.00 0.00 61.98 57.88 1uf0 s VAL 59 Cb 0.00 -1.83 0.00 0.00 -1.53 0.00 0.00 36.38 33.02 1uf0 s VAL 59 CO 0.00 0.49 0.00 0.54 -3.33 0.00 0.00 175.10 172.80 1uf0 n ARG 60 N 2.14 0.00 -3.92 1.54 1.74 -1.19 -4.94 116.66 112.03 1uf0 n ARG 60 Ca -0.16 0.00 -0.35 0.00 -0.77 0.00 0.00 57.85 56.57 1uf0 n ARG 60 Cb 0.51 -0.05 -0.14 0.00 -1.02 0.00 0.00 32.46 31.76 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 -1.85 3.28 -0.38 0.55 2.01 -1.23 -5.01 115.64 113.02 1uf0 s THR 61 Ca 0.00 -0.57 -0.03 0.00 0.31 0.00 0.00 61.69 61.40 1uf0 s THR 61 Cb 0.00 -2.51 0.09 0.00 0.01 0.00 0.00 72.50 70.09 1uf0 s THR 61 CO 0.00 0.40 0.14 -0.63 -0.69 0.00 0.00 174.62 173.84 1uf0 s ILE 62 N 1.46 3.24 0.76 1.82 1.01 -1.26 0.51 121.20 128.74 1uf0 s ILE 62 Ca 0.05 -1.82 -0.08 0.00 0.00 0.00 0.00 60.65 58.80 1uf0 s ILE 62 Cb -0.14 -3.11 0.09 0.00 0.01 0.00 0.00 42.46 39.31 1uf0 s ILE 62 CO -0.04 -0.51 1.08 -0.31 0.00 0.00 0.00 174.94 175.16 1uf0 s TYR 63 N 1.19 2.53 0.94 3.97 2.02 0.18 -1.26 117.35 126.92 1uf0 s TYR 63 Ca 0.04 0.36 -0.14 0.00 -0.37 0.00 0.00 57.07 56.96 1uf0 s TYR 63 Cb -0.22 -3.36 0.20 0.00 -0.40 0.00 0.00 41.96 38.19 1uf0 s TYR 63 CO -0.03 -1.70 1.29 0.95 -1.57 0.00 0.00 175.55 174.49 1uf0 s THR 64 N -3.38 2.01 0.20 -0.71 -4.23 -1.16 0.83 115.64 109.20 1uf0 s THR 64 Ca 0.63 -0.10 -0.02 0.00 -1.18 0.00 0.00 61.69 61.03 1uf0 s THR 64 Cb -0.09 -2.91 -0.06 0.00 1.34 0.00 0.00 72.50 70.79 1uf0 s THR 64 CO 0.46 0.00 1.51 -0.29 -0.54 0.00 0.00 174.62 175.76 1uf0 h ILE 65 N -1.53 1.34 0.02 2.99 2.10 -1.86 -3.15 117.51 117.42 1uf0 h ILE 65 Ca -0.43 -1.86 -0.21 0.00 1.08 0.00 0.00 64.86 63.45 1uf0 h ILE 65 Cb 1.23 1.84 -0.02 0.00 -1.09 0.00 0.00 36.82 38.78 1uf0 h ILE 65 CO 0.35 0.57 -0.98 0.44 -1.08 0.00 0.00 178.15 177.45 1uf0 h ASP 66 N 0.37 0.09 -1.15 2.19 5.19 -1.94 -3.47 116.42 117.70 1uf0 h ASP 66 Ca 0.00 -0.09 0.00 0.00 -0.62 0.00 0.00 57.03 56.32 1uf0 h ASP 66 Cb 1.12 -0.03 0.00 0.00 0.18 0.00 0.00 39.33 40.60 1uf0 h ASP 66 CO 0.10 1.01 0.00 0.61 -3.12 0.00 0.00 179.24 177.85 1uf0 n GLY 67 N 1.20 0.71 0.49 2.75 0.00 -1.19 -5.02 105.19 104.13 1uf0 n GLY 67 Ca -0.02 -0.44 -0.12 0.00 0.00 0.00 0.00 46.02 45.43 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 -0.58 1.36 -4.72 0.99 4.77 -1.26 -4.99 117.00 112.58 1uf0 n LEU 68 Ca 0.00 0.11 -0.26 0.00 -0.03 0.00 0.00 56.01 55.83 1uf0 n LEU 68 Cb 0.38 -0.38 -0.08 0.00 -2.33 0.00 0.00 43.42 41.01 1uf0 n LEU 68 CO 0.00 0.36 -0.18 -0.75 -1.33 0.00 0.00 177.39 175.49 1uf0 s LYS 69 N -2.23 2.16 -0.02 3.23 2.20 -1.26 -5.05 119.74 118.76 1uf0 s LYS 69 Ca -0.17 -1.94 0.04 0.00 -0.36 0.00 0.00 55.97 53.53 1uf0 s LYS 69 Cb 0.06 -1.88 -0.00 0.00 -1.51 0.00 0.00 37.83 34.49 1uf0 s LYS 69 CO 0.23 -0.13 -0.13 -1.59 -0.36 0.00 0.00 175.35 173.37 1uf0 s LYS 70 N -3.87 1.19 0.12 4.03 -2.85 -1.26 -2.96 119.74 114.13 1uf0 s LYS 70 Ca 0.38 -0.45 -0.27 0.00 -1.00 0.00 0.00 55.97 54.62 1uf0 s LYS 70 Cb 0.05 -1.10 -0.07 0.00 -2.06 0.00 0.00 37.83 34.65 1uf0 s LYS 70 CO 0.20 0.22 0.85 0.42 0.10 0.00 0.00 175.35 177.15 1uf0 s ILE 71 N -0.08 4.47 0.00 3.79 -1.09 -0.39 -4.94 121.20 122.97 1uf0 s ILE 71 Ca 0.01 1.85 0.00 0.00 -2.23 0.00 0.00 60.65 60.28 1uf0 s ILE 71 Cb -0.08 -4.22 0.00 0.00 -1.58 0.00 0.00 42.46 36.59 1uf0 s ILE 71 CO 0.00 0.41 0.00 -0.24 -1.23 0.00 0.00 174.94 173.88 1uf0 n SER 72 N 2.30 1.71 -3.80 3.58 2.88 -1.26 -4.17 113.62 114.86 1uf0 n SER 72 Ca -0.02 0.00 -0.19 0.00 -1.33 0.00 0.00 58.87 57.33 1uf0 n SER 72 Cb 0.49 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.93 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 -2.51 2.50 0.07 -3.46 7.64 -1.26 -4.94 113.62 111.65 1uf0 n SER 73 Ca 0.00 -2.34 0.12 0.00 1.01 0.00 0.00 58.87 57.66 1uf0 n SER 73 Cb 0.37 0.09 0.18 0.00 -1.01 0.00 0.00 64.21 63.84 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 0.00 -3.52 -3.43 3.38 -1.98 -3.32 115.31 106.43 1uf0 h LEU 74 Ca -0.25 -0.19 -0.35 0.00 0.09 0.00 0.00 57.88 57.18 1uf0 h LEU 74 Cb 0.83 0.00 -0.21 0.00 0.09 0.00 0.00 40.66 41.37 1uf0 h LEU 74 CO 0.40 0.10 0.45 0.47 0.09 0.00 0.00 178.44 179.94 1uf0 n ASP 75 N -2.15 3.81 -0.03 -0.43 8.00 -1.26 -4.10 116.55 120.39 1uf0 n ASP 75 Ca 0.03 -3.21 -0.03 0.00 0.71 0.00 0.00 54.79 52.29 1uf0 n ASP 75 Cb 0.44 -0.75 -0.03 0.00 -0.02 0.00 0.00 41.12 40.76 1uf0 n ASP 75 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1uf0 n GLN 76 N -0.61 1.34 -0.41 -1.24 1.13 -1.25 -5.05 117.38 111.29 1uf0 n GLN 76 Ca 0.44 0.02 -0.29 0.00 -1.94 0.00 0.00 57.00 55.23 1uf0 n GLN 76 Cb 1.38 -1.11 0.27 0.00 0.11 0.00 0.00 30.24 30.89 1uf0 n GLN 76 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 1uf0 n LEU 77 N -2.47 -1.60 -4.17 1.08 4.77 -1.26 -5.06 117.00 108.29 1uf0 n LEU 77 Ca -0.09 -0.37 -0.13 0.00 -0.03 0.00 0.00 56.01 55.39 1uf0 n LEU 77 Cb 0.62 -1.17 -0.11 0.00 -2.33 0.00 0.00 43.42 40.43 1uf0 n LEU 77 CO 0.07 -3.68 -0.41 -0.69 -1.33 0.00 0.00 177.39 171.36 1uf0 s VAL 78 N -2.31 0.86 -0.12 4.08 1.01 -1.26 -5.11 120.40 117.54 1uf0 s VAL 78 Ca 0.68 -1.72 -0.29 0.00 0.00 0.00 0.00 61.98 60.65 1uf0 s VAL 78 Cb -0.22 -1.43 -0.03 0.00 0.00 0.00 0.00 36.38 34.69 1uf0 s VAL 78 CO 0.64 -0.65 1.46 -0.70 0.00 0.00 0.00 175.10 175.85 1uf0 s GLU 79 N -3.08 4.18 -0.20 2.72 2.12 -1.26 -3.81 118.70 119.37 1uf0 s GLU 79 Ca 0.07 1.90 -0.00 0.00 0.36 0.00 0.00 54.97 57.29 1uf0 s GLU 79 Cb -0.01 -3.89 -0.01 0.00 0.26 0.00 0.00 34.13 30.49 1uf0 s GLU 79 CO -0.01 -0.81 0.18 0.41 -0.54 0.00 0.00 175.26 174.48 1uf0 n GLY 80 N 3.93 -0.23 3.49 -1.50 0.00 -0.30 -4.92 105.19 105.65 1uf0 n GLY 80 Ca 0.16 -0.05 -0.10 0.00 0.00 0.00 0.00 46.02 46.02 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 1.47 0.11 1.61 0.41 -1.14 -5.05 118.70 113.01 1uf0 s GLU 81 Ca 0.03 -1.37 0.09 0.00 -0.41 0.00 0.00 54.97 53.31 1uf0 s GLU 81 Cb -0.00 0.42 -0.04 0.00 -1.78 0.00 0.00 34.13 32.73 1uf0 s GLU 81 CO 0.18 -0.58 -0.22 -1.12 -0.49 0.00 0.00 175.26 173.02 1uf0 s SER 82 N -3.06 2.73 0.03 -0.19 0.01 -1.26 -1.44 113.70 110.52 1uf0 s SER 82 Ca 0.27 -0.69 -0.08 0.00 1.31 0.00 0.00 55.95 56.76 1uf0 s SER 82 Cb 0.01 -0.16 -0.00 0.00 0.21 0.00 0.00 66.02 66.08 1uf0 s SER 82 CO 0.10 0.09 0.15 -0.31 0.41 0.00 0.00 173.24 173.69 1uf0 s TYR 83 N -1.12 0.11 -0.15 2.43 1.51 0.91 -2.79 117.35 118.26 1uf0 s TYR 83 Ca 0.08 -0.34 -0.04 0.00 -1.01 0.00 0.00 57.07 55.76 1uf0 s TYR 83 Cb -0.10 -0.07 -0.03 0.00 -0.11 0.00 0.00 41.96 41.65 1uf0 s TYR 83 CO 0.05 -0.39 -0.01 0.08 -1.11 0.00 0.00 175.55 174.17 1uf0 s VAL 84 N -2.44 4.19 -0.32 0.71 1.01 0.24 -1.69 120.40 122.10 1uf0 s VAL 84 Ca -0.06 -0.26 -0.23 0.00 0.00 0.00 0.00 61.98 61.42 1uf0 s VAL 84 Cb -0.02 -2.83 0.00 0.00 0.00 0.00 0.00 36.38 33.53 1uf0 s VAL 84 CO -0.03 0.51 0.79 0.00 0.00 0.00 0.00 175.10 176.37 1uf0 n GLY 86 N 4.25 3.02 1.46 0.00 0.00 0.18 -3.31 105.19 110.81 1uf0 n GLY 86 Ca 0.04 -2.31 0.00 0.00 0.00 0.00 0.00 46.02 43.75 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 -1.69 0.00 -0.00 1.61 2.88 -1.26 -3.19 113.62 111.97 1uf0 n SER 87 Ca -0.07 0.00 -0.00 0.00 -1.33 0.00 0.00 58.87 57.47 1uf0 n SER 87 Cb 0.56 0.34 -0.00 0.00 -0.75 0.00 0.00 64.21 64.37 1uf0 n SER 87 CO 0.00 0.00 0.00 -0.38 -1.23 0.00 0.00 175.04 173.43 1uf0 n ILE 88 N -2.10 0.03 -1.86 2.46 -0.00 -1.26 -4.85 119.36 111.77 1uf0 n ILE 88 Ca 0.00 -0.01 -0.37 0.00 -0.00 0.00 0.00 62.75 62.37 1uf0 n ILE 88 Cb 0.00 -1.14 0.05 0.00 -0.00 0.00 0.00 39.64 38.55 1uf0 n ILE 88 CO 0.00 0.00 0.00 -1.83 -0.00 0.00 0.00 176.55 174.72 1uf0 s GLU 89 N -2.01 2.87 0.72 0.38 1.03 -1.26 -4.99 118.70 115.45 1uf0 s GLU 89 Ca -0.01 2.01 -0.12 0.00 0.03 0.00 0.00 54.97 56.89 1uf0 s GLU 89 Cb 0.00 -1.99 0.03 0.00 -0.80 0.00 0.00 34.13 31.37 1uf0 s GLU 89 CO 0.01 -1.33 1.09 -1.25 -1.33 0.00 0.00 175.26 172.44 1uf0 s PRO 90 N -3.23 2.57 0.43 -4.83 0.04 -1.26 -4.98 135.00 123.74 1uf0 s PRO 90 Ca 0.78 1.19 -0.26 0.00 0.04 0.00 0.00 61.00 62.75 1uf0 s PRO 90 Cb -0.35 -1.93 -0.09 0.00 0.04 0.00 0.00 34.50 32.16 1uf0 s PRO 90 CO 0.39 -1.41 1.44 0.12 0.04 0.00 0.00 177.00 177.59 1uf0 s PHE 91 N -2.76 2.48 -0.09 0.56 5.36 -1.26 -4.97 117.98 117.30 1uf0 s PHE 91 Ca 0.62 1.24 0.04 0.00 -0.96 0.00 0.00 56.93 57.87 1uf0 s PHE 91 Cb -0.17 -3.95 -0.00 0.00 -0.34 0.00 0.00 43.02 38.55 1uf0 s PHE 91 CO 0.51 -2.97 -0.22 0.15 -1.46 0.00 0.00 175.22 171.22 1uf0 s LYS 92 N -2.37 2.74 -0.58 10.12 1.02 -1.26 -5.09 119.74 124.33 1uf0 s LYS 92 Ca 0.59 -0.81 -0.25 0.00 0.02 0.00 0.00 55.97 55.52 1uf0 s LYS 92 Cb -0.45 -2.13 0.04 0.00 -0.52 0.00 0.00 37.83 34.77 1uf0 s LYS 92 CO 0.58 0.20 1.01 0.15 -0.92 0.00 0.00 175.35 176.37 1uf0 s LYS 93 N 0.28 3.34 0.07 1.68 1.02 -1.26 -4.85 119.74 120.03 1uf0 s LYS 93 Ca -0.15 -0.21 0.04 0.00 0.02 0.00 0.00 55.97 55.66 1uf0 s LYS 93 Cb -0.17 -4.07 -0.03 0.00 -0.52 0.00 0.00 37.83 33.04 1uf0 s LYS 93 CO 0.07 -1.59 -0.11 -0.51 -0.92 0.00 0.00 175.35 172.29 1uf0 s LEU 94 N 4.26 2.33 -0.86 3.17 1.43 -1.26 -5.10 118.68 122.65 1uf0 s LEU 94 Ca 0.32 -0.68 -0.20 0.00 -1.03 0.00 0.00 54.13 52.54 1uf0 s LEU 94 Cb -0.12 -0.34 0.10 0.00 0.03 0.00 0.00 46.19 45.87 1uf0 s LEU 94 CO 0.19 -0.19 1.12 -0.70 0.23 0.00 0.00 176.35 177.00 1uf0 s GLU 95 N -2.15 3.46 -0.04 1.70 2.12 -1.26 -4.83 118.70 117.70 1uf0 s GLU 95 Ca -0.01 -1.42 -0.17 0.00 0.36 0.00 0.00 54.97 53.74 1uf0 s GLU 95 Cb -0.07 -4.76 -0.31 0.00 0.26 0.00 0.00 34.13 29.24 1uf0 s GLU 95 CO 0.01 -1.83 0.79 1.88 -0.54 0.00 0.00 175.26 175.56 1uf0 h TYR 96 N 9.16 0.67 0.00 5.30 0.05 -1.97 -3.30 116.97 126.87 1uf0 h TYR 96 Ca 0.03 -0.49 -0.00 0.00 0.05 0.00 0.00 58.73 58.32 1uf0 h TYR 96 Cb 1.04 -0.03 -0.00 0.00 1.01 0.00 0.00 36.73 38.75 1uf0 h TYR 96 CO 1.12 1.51 -0.01 1.79 -1.05 0.00 0.00 178.16 181.52 1uf0 h THR 97 N -0.13 0.56 -0.29 -2.88 1.35 -1.97 -1.65 112.91 107.91 1uf0 h THR 97 Ca -0.25 -0.04 0.08 0.00 -0.55 0.00 0.00 66.41 65.64 1uf0 h THR 97 Cb 1.90 1.03 -0.01 0.00 -1.73 0.00 0.00 68.15 69.33 1uf0 h THR 97 CO 0.16 0.01 0.21 0.50 -0.25 0.00 0.00 175.52 176.15 1uf0 h LYS 98 N 0.00 0.00 -0.19 4.72 3.64 -1.97 0.89 116.57 123.67 1uf0 h LYS 98 Ca -0.00 0.00 -0.09 0.00 -1.27 0.00 0.00 60.65 59.29 1uf0 h LYS 98 Cb 0.03 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 31.79 1uf0 h LYS 98 CO 0.00 0.00 -0.25 0.09 -2.27 0.00 0.00 179.45 177.02 1uf0 n ASN 99 N -4.44 2.18 0.00 4.20 3.02 -0.63 -4.71 115.26 114.88 1uf0 n ASN 99 Ca 0.04 -3.79 0.00 0.00 -0.03 0.00 0.00 54.58 50.80 1uf0 n ASN 99 Cb 0.37 -0.58 0.00 0.00 -0.61 0.00 0.00 39.78 38.96 1uf0 n ASN 99 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 1uf0 n VAL 100 N -1.12 0.00 -1.45 2.41 0.31 -0.44 -4.99 118.33 113.04 1uf0 n VAL 100 Ca 0.26 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.59 1uf0 n VAL 100 Cb 0.87 -0.25 0.00 0.00 -0.91 0.00 0.00 33.84 33.55 1uf0 n VAL 100 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 1uf0 n ASN 101 N -2.40 -7.89 -4.56 4.52 4.13 0.30 -4.61 115.26 104.75 1uf0 n ASN 101 Ca 0.00 1.41 -0.34 0.00 1.68 0.00 0.00 54.58 57.33 1uf0 n ASN 101 Cb 0.00 -4.45 -0.04 0.00 -1.54 0.00 0.00 39.78 33.75 1uf0 n ASN 101 CO 0.00 0.00 0.00 -2.16 0.28 0.00 0.00 177.26 175.38 1uf0 s PRO 102 N -4.54 3.00 -0.03 3.52 0.04 -1.26 -4.51 135.00 131.22 1uf0 s PRO 102 Ca 0.00 -0.57 0.04 0.00 0.04 0.00 0.00 61.00 60.51 1uf0 s PRO 102 Cb 0.00 -5.11 0.08 0.00 0.04 0.00 0.00 34.50 29.51 1uf0 s PRO 102 CO 0.00 -2.83 1.06 -1.71 0.04 0.00 0.00 177.00 173.56 1uf0 n ASN 103 N 11.70 -0.78 -0.03 6.66 5.15 -1.26 -4.93 115.26 131.76 1uf0 n ASN 103 Ca 0.35 -2.02 -0.04 0.00 -0.60 0.00 0.00 54.58 52.27 1uf0 n ASN 103 Cb 0.49 0.25 -0.04 0.00 -0.53 0.00 0.00 39.78 39.95 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 -0.06 0.00 -1.26 1.20 4.27 -1.26 -4.22 117.44 116.11 1uf0 n TRP 104 Ca -0.23 0.00 -0.24 0.00 -3.89 0.00 0.00 57.50 53.14 1uf0 n TRP 104 Cb 0.77 -0.30 0.17 0.00 -1.36 0.00 0.00 31.31 30.59 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 -2.42 4.06 0.00 -0.67 7.64 -1.26 -4.42 113.62 116.56 1uf0 n SER 105 Ca -0.11 -3.64 0.00 0.00 1.01 0.00 0.00 58.87 56.12 1uf0 n SER 105 Cb 0.68 -0.84 0.00 0.00 -1.01 0.00 0.00 64.21 63.04 1uf0 n SER 105 CO 0.00 0.00 0.00 1.33 -3.01 0.00 0.00 175.04 173.36 1uf0 n VAL 106 N -1.12 0.00 -3.70 0.44 0.24 -1.26 -4.98 118.33 107.95 1uf0 n VAL 106 Ca 0.58 0.00 -0.30 0.00 -2.04 0.00 0.00 64.34 62.59 1uf0 n VAL 106 Cb 1.53 -0.27 -0.14 0.00 -1.47 0.00 0.00 33.84 33.48 1uf0 n VAL 106 CO 0.00 0.00 0.00 0.20 -2.14 0.00 0.00 176.83 174.89 1uf0 s ASN 107 N -3.80 3.86 -0.52 -1.34 0.02 -1.26 -5.08 114.94 106.82 1uf0 s ASN 107 Ca 0.00 -1.81 -0.26 0.00 -1.02 0.00 0.00 52.86 49.77 1uf0 s ASN 107 Cb 0.00 -0.82 -0.06 0.00 0.02 0.00 0.00 41.25 40.39 1uf0 s ASN 107 CO 0.00 -0.39 2.33 -0.69 0.02 0.00 0.00 177.10 178.37 1uf0 s VAL 108 N 1.41 3.06 -0.29 1.60 1.01 -1.26 -4.61 120.40 121.32 1uf0 s VAL 108 Ca 0.12 0.03 0.09 0.00 0.00 0.00 0.00 61.98 62.22 1uf0 s VAL 108 Cb -0.19 -3.16 0.51 0.00 0.00 0.00 0.00 36.38 33.55 1uf0 s VAL 108 CO -0.20 -0.15 1.48 1.17 0.00 0.00 0.00 175.10 177.39 1uf0 n LYS 109 N 9.03 1.93 -3.65 2.72 4.81 -1.26 -4.98 118.16 126.77 1uf0 n LYS 109 Ca 0.35 -3.16 -0.03 0.00 -0.87 0.00 0.00 58.31 54.60 1uf0 n LYS 109 Cb 0.54 -1.83 -0.07 0.00 0.02 0.00 0.00 35.03 33.69 1uf0 n LYS 109 CO 0.00 0.00 0.00 0.95 1.17 0.00 0.00 177.40 179.52 1uf0 s THR 110 N -3.22 0.00 -0.10 3.15 -4.23 -1.26 -5.09 115.64 104.89 1uf0 s THR 110 Ca 0.45 0.00 -0.11 0.00 -1.18 0.00 0.00 61.69 60.85 1uf0 s THR 110 Cb 0.40 -1.00 -0.05 0.00 1.34 0.00 0.00 72.50 73.20 1uf0 s THR 110 CO 0.01 0.00 -0.23 -0.24 -0.54 0.00 0.00 174.62 173.62 1uf0 n SER 111 N 1.54 1.57 0.00 3.99 2.88 -1.26 -5.11 113.62 117.24 1uf0 n SER 111 Ca -0.10 0.25 0.00 0.00 -1.33 0.00 0.00 58.87 57.70 1uf0 n SER 111 Cb 0.57 -0.58 0.00 0.00 -0.75 0.00 0.00 64.21 63.45 1uf0 n SER 111 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1uf0 n GLY 112 N 2.13 -2.02 0.22 0.46 0.00 -1.26 -4.97 105.19 99.76 1uf0 n GLY 112 Ca -0.14 0.67 0.09 0.00 0.00 0.00 0.00 46.02 46.64 1uf0 n GLY 112 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1uf0 h PRO 113 N 0.00 0.00 -6.58 1.61 0.13 -2.06 -3.44 132.00 121.66 1uf0 h PRO 113 Ca 0.00 0.00 -0.55 0.00 -0.87 0.00 0.00 66.00 64.58 1uf0 h PRO 113 Cb 0.00 0.00 0.06 0.00 0.13 0.00 0.00 31.00 31.19 1uf0 h PRO 113 CO 0.00 0.26 0.95 -1.13 -0.23 0.00 0.00 178.00 177.85 1uf0 n SER 114 N -3.52 3.68 -3.51 1.44 3.41 -1.26 -4.97 113.62 108.89 1uf0 n SER 114 Ca -0.00 1.06 -0.08 0.00 -0.26 0.00 0.00 58.87 59.58 1uf0 n SER 114 Cb 0.41 -1.52 -0.01 0.00 -0.26 0.00 0.00 64.21 62.84 1uf0 n SER 114 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1uf0 s SER 115 N 1.31 -0.06 0.00 4.04 0.15 -1.26 -4.87 113.70 113.01 1uf0 s SER 115 Ca 0.77 -0.91 0.00 0.00 0.70 0.00 0.00 55.95 56.52 1uf0 s SER 115 Cb -0.57 0.75 0.00 0.00 -1.71 0.00 0.00 66.02 64.49 1uf0 s SER 115 CO 0.35 -1.43 0.00 0.61 1.20 0.00 0.00 173.24 173.97