#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ua6 s VAL 2 N 0.00 4.65 -0.01 2.53 1.01 -1.26 -3.93 120.40 123.40 1ua6 s VAL 2 Ca 0.00 1.52 0.00 0.00 0.00 0.00 0.00 61.98 63.51 1ua6 s VAL 2 Cb 0.00 -4.06 0.01 0.00 0.00 0.00 0.00 36.38 32.33 1ua6 s VAL 2 CO 0.00 0.45 -0.01 -1.10 0.00 0.00 0.00 175.10 174.44 1ua6 s GLN 3 N -0.57 0.12 0.13 2.72 -0.21 0.61 -4.98 119.66 117.48 1ua6 s GLN 3 Ca 0.35 -0.01 0.10 0.00 0.02 0.00 0.00 55.36 55.81 1ua6 s GLN 3 Cb -0.21 -0.17 -0.04 0.00 1.00 0.00 0.00 33.01 33.60 1ua6 s GLN 3 CO 0.22 -0.01 -0.20 -0.51 -2.12 0.00 0.00 175.29 172.67 1ua6 s LEU 4 N 0.20 2.61 -0.21 2.90 1.43 -1.26 -1.06 118.68 123.29 1ua6 s LEU 4 Ca -0.02 -0.64 -0.08 0.00 -1.03 0.00 0.00 54.13 52.36 1ua6 s LEU 4 Cb -0.03 -1.44 0.09 0.00 0.03 0.00 0.00 46.19 44.84 1ua6 s LEU 4 CO -0.01 0.17 0.45 -1.58 0.23 0.00 0.00 176.35 175.61 1ua6 s GLN 5 N -2.24 0.38 0.36 1.70 2.00 -0.83 -4.35 119.66 116.68 1ua6 s GLN 5 Ca 0.18 1.04 -0.14 0.00 -2.00 0.00 0.00 55.36 54.44 1ua6 s GLN 5 Cb -0.10 0.31 -0.08 0.00 0.80 0.00 0.00 33.01 33.94 1ua6 s GLN 5 CO 0.10 -0.22 0.77 -1.21 -0.50 0.00 0.00 175.29 174.23 1ua6 s GLU 6 N 2.36 3.96 0.07 1.67 8.01 -1.26 -1.02 118.70 132.48 1ua6 s GLU 6 Ca -0.04 0.66 -0.15 0.00 0.01 0.00 0.00 54.97 55.45 1ua6 s GLU 6 Cb -0.11 -2.38 0.03 0.00 -4.31 0.00 0.00 34.13 27.35 1ua6 s GLU 6 CO -0.14 0.07 0.34 -1.54 0.01 0.00 0.00 175.26 174.00 1ua6 s SER 7 N -2.55 -0.17 0.00 -0.19 1.04 0.29 -4.97 113.70 107.16 1ua6 s SER 7 Ca 0.54 -0.21 0.00 0.00 0.48 0.00 0.00 55.95 56.76 1ua6 s SER 7 Cb -0.10 0.40 0.00 0.00 0.10 0.00 0.00 66.02 66.42 1ua6 s SER 7 CO 0.22 -0.69 0.00 0.61 0.98 0.00 0.00 173.24 174.35 1ua6 n GLY 8 N 0.31 3.23 3.64 7.32 0.00 -1.26 -1.21 105.19 117.22 1ua6 n GLY 8 Ca -0.18 -1.70 -0.41 0.00 0.00 0.00 0.00 46.02 43.73 1ua6 n GLY 8 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1ua6 n PRO 9 N -1.96 1.57 -0.00 1.61 -0.02 -1.26 -4.92 135.00 130.01 1ua6 n PRO 9 Ca 0.00 0.56 0.09 0.00 -2.02 0.00 0.00 63.50 62.13 1ua6 n PRO 9 Cb 0.00 -2.15 -0.11 0.00 -0.02 0.00 0.00 33.50 31.22 1ua6 n PRO 9 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1ua6 n SER 10 N 0.45 0.88 -3.89 2.55 3.41 -1.26 -4.82 113.62 110.94 1ua6 n SER 10 Ca 0.08 -0.91 -0.21 0.00 -0.26 0.00 0.00 58.87 57.56 1ua6 n SER 10 Cb 0.39 1.03 -0.17 0.00 -0.26 0.00 0.00 64.21 65.20 1ua6 n SER 10 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 1ua6 s LEU 11 N -2.94 1.24 0.13 1.04 2.96 -1.26 -0.72 118.68 119.12 1ua6 s LEU 11 Ca 0.07 -0.15 0.02 0.00 -0.22 0.00 0.00 54.13 53.84 1ua6 s LEU 11 Cb 0.14 -0.52 -0.04 0.00 0.50 0.00 0.00 46.19 46.27 1ua6 s LEU 11 CO 0.78 -0.07 -0.04 0.68 -1.32 0.00 0.00 176.35 176.38 1ua6 s VAL 12 N 1.11 0.67 0.22 1.68 -7.23 -0.49 -4.96 120.40 111.40 1ua6 s VAL 12 Ca -0.08 -1.95 -0.05 0.00 -1.81 0.00 0.00 61.98 58.09 1ua6 s VAL 12 Cb -0.14 -1.86 -0.05 0.00 0.56 0.00 0.00 36.38 34.89 1ua6 s VAL 12 CO -0.01 -0.71 0.47 -0.54 -0.31 0.00 0.00 175.10 174.00 1ua6 s LYS 13 N -3.87 3.63 0.52 4.82 -0.14 -1.26 -1.42 119.74 122.01 1ua6 s LYS 13 Ca 0.17 -0.05 -0.22 0.00 -1.36 0.00 0.00 55.97 54.50 1ua6 s LYS 13 Cb 0.06 -2.74 -0.06 0.00 -1.68 0.00 0.00 37.83 33.41 1ua6 s LYS 13 CO -0.01 0.33 1.29 -2.14 -0.76 0.00 0.00 175.35 174.06 1ua6 s PRO 14 N -3.17 3.35 0.00 -1.68 0.02 -1.26 -2.57 135.00 129.69 1ua6 s PRO 14 Ca 0.43 2.08 0.00 0.00 0.02 0.00 0.00 61.00 63.52 1ua6 s PRO 14 Cb -0.11 -2.31 0.00 0.00 0.02 0.00 0.00 34.50 32.10 1ua6 s PRO 14 CO 0.27 -0.97 0.00 0.45 -0.33 0.00 0.00 177.00 176.42 1ua6 n SER 15 N -0.85 0.00 -4.07 2.53 2.88 0.12 -4.92 113.62 109.32 1ua6 n SER 15 Ca 0.09 0.00 -0.25 0.00 -1.33 0.00 0.00 58.87 57.38 1ua6 n SER 15 Cb 0.46 0.00 0.16 0.00 -0.75 0.00 0.00 64.21 64.08 1ua6 n SER 15 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1ua6 n GLN 16 N -2.00 -0.70 -3.73 -1.46 10.64 -1.06 -3.80 117.38 115.27 1ua6 n GLN 16 Ca 0.00 -2.22 -0.35 0.00 -1.83 0.00 0.00 57.00 52.59 1ua6 n GLN 16 Cb 0.00 -0.99 -0.09 0.00 -0.86 0.00 0.00 30.24 28.30 1ua6 n GLN 16 CO 0.00 0.00 0.00 0.99 -1.83 0.00 0.00 177.06 176.22 1ua6 s THR 17 N -3.36 5.34 -0.21 -0.39 2.01 -1.26 -1.85 115.64 115.91 1ua6 s THR 17 Ca 0.67 0.17 -0.14 0.00 0.31 0.00 0.00 61.69 62.70 1ua6 s THR 17 Cb -0.03 -3.45 -0.04 0.00 0.01 0.00 0.00 72.50 68.99 1ua6 s THR 17 CO 0.46 0.41 0.33 -0.22 -0.69 0.00 0.00 174.62 174.91 1ua6 s LEU 18 N 0.58 4.14 -0.04 4.42 0.20 0.61 -4.91 118.68 123.69 1ua6 s LEU 18 Ca 0.07 0.39 0.05 0.00 0.69 0.00 0.00 54.13 55.33 1ua6 s LEU 18 Cb -0.12 -2.39 -0.01 0.00 -0.43 0.00 0.00 46.19 43.24 1ua6 s LEU 18 CO 0.00 -0.04 -0.18 -0.44 -0.29 0.00 0.00 176.35 175.40 1ua6 s SER 19 N 1.06 2.28 0.10 3.68 0.01 -1.26 -0.57 113.70 119.00 1ua6 s SER 19 Ca 0.15 -0.37 0.04 0.00 1.31 0.00 0.00 55.95 57.09 1ua6 s SER 19 Cb -0.14 -0.54 -0.03 0.00 0.21 0.00 0.00 66.02 65.52 1ua6 s SER 19 CO 0.07 0.18 -0.11 -0.76 0.41 0.00 0.00 173.24 173.03 1ua6 s LEU 20 N -0.11 2.38 -0.02 2.44 1.43 -0.22 -4.40 118.68 120.17 1ua6 s LEU 20 Ca -0.01 -0.77 0.06 0.00 -1.03 0.00 0.00 54.13 52.38 1ua6 s LEU 20 Cb -0.11 -0.37 -0.01 0.00 0.03 0.00 0.00 46.19 45.73 1ua6 s LEU 20 CO 0.02 -0.21 -0.21 -0.89 0.23 0.00 0.00 176.35 175.28 1ua6 s THR 21 N -2.18 1.68 -0.19 5.49 2.01 -0.35 -1.42 115.64 120.69 1ua6 s THR 21 Ca 0.04 -0.90 -0.00 0.00 0.31 0.00 0.00 61.69 61.15 1ua6 s THR 21 Cb -0.05 -1.40 0.01 0.00 0.01 0.00 0.00 72.50 71.07 1ua6 s THR 21 CO 0.01 0.48 -0.16 0.00 -0.69 0.00 0.00 174.62 174.25 1ua6 s SER 23 N 1.33 6.24 -0.18 0.00 0.01 -0.19 -2.24 113.70 118.68 1ua6 s SER 23 Ca 0.05 0.27 -0.05 0.00 1.31 0.00 0.00 55.95 57.53 1ua6 s SER 23 Cb -0.13 -2.10 -0.03 0.00 0.21 0.00 0.00 66.02 63.97 1ua6 s SER 23 CO -0.11 0.17 -0.00 -0.69 0.41 0.00 0.00 173.24 173.02 1ua6 s VAL 24 N 0.36 4.10 0.03 3.43 1.01 -0.87 -1.96 120.40 126.49 1ua6 s VAL 24 Ca 0.09 -0.28 0.08 0.00 0.00 0.00 0.00 61.98 61.88 1ua6 s VAL 24 Cb -0.11 -2.83 -0.02 0.00 0.00 0.00 0.00 36.38 33.41 1ua6 s VAL 24 CO -0.01 0.46 -0.23 -0.89 0.00 0.00 0.00 175.10 174.42 1ua6 s THR 25 N 0.62 1.88 0.00 3.92 2.01 -0.22 -4.76 115.64 119.09 1ua6 s THR 25 Ca -0.01 -1.23 0.00 0.00 0.31 0.00 0.00 61.69 60.77 1ua6 s THR 25 Cb -0.14 -1.61 0.00 0.00 0.01 0.00 0.00 72.50 70.76 1ua6 s THR 25 CO 0.02 0.33 0.00 0.61 -0.69 0.00 0.00 174.62 174.89 1ua6 n GLY 26 N 1.96 2.73 3.62 4.40 0.00 -1.25 -0.28 105.19 116.36 1ua6 n GLY 26 Ca -0.17 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.83 1ua6 n GLY 26 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1ua6 s ASP 27 N -1.31 -0.15 0.31 1.61 2.15 -1.26 -4.62 116.67 113.40 1ua6 s ASP 27 Ca 0.00 -0.12 -0.28 0.00 0.43 0.00 0.00 52.55 52.58 1ua6 s ASP 27 Cb 0.00 0.24 -0.09 0.00 -0.30 0.00 0.00 42.92 42.77 1ua6 s ASP 27 CO 0.00 -0.43 1.11 -0.55 -0.17 0.00 0.00 175.17 175.13 1ua6 s SER 28 N -2.64 7.10 0.47 -0.34 0.15 -1.26 -4.94 113.70 112.24 1ua6 s SER 28 Ca 0.11 2.26 0.20 0.00 0.70 0.00 0.00 55.95 59.22 1ua6 s SER 28 Cb 0.01 -2.62 1.14 0.00 -1.71 0.00 0.00 66.02 62.84 1ua6 s SER 28 CO -0.04 -0.26 1.99 0.16 1.20 0.00 0.00 173.24 176.29 1ua6 h ILE 29 N 2.89 0.89 0.00 6.45 3.07 -1.91 -1.87 117.51 127.03 1ua6 h ILE 29 Ca -0.47 -0.72 0.00 0.00 1.55 0.00 0.00 64.86 65.22 1ua6 h ILE 29 Cb 1.21 1.42 0.00 0.00 -0.27 0.00 0.00 36.82 39.18 1ua6 h ILE 29 CO 0.66 0.19 0.00 0.35 -1.05 0.00 0.00 178.15 178.30 1ua6 n THR 30 N -3.96 1.37 -0.38 0.16 -2.24 -1.26 -2.34 114.28 105.63 1ua6 n THR 30 Ca -0.02 0.34 0.06 0.00 -2.27 0.00 0.00 64.05 62.17 1ua6 n THR 30 Cb 0.28 -1.21 0.31 0.00 -2.10 0.00 0.00 70.33 67.61 1ua6 n THR 30 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1ua6 n SER 31 N -1.46 4.45 -3.44 3.42 7.64 -0.70 -4.81 113.62 118.72 1ua6 n SER 31 Ca 0.02 -2.58 -0.06 0.00 1.01 0.00 0.00 58.87 57.26 1ua6 n SER 31 Cb 0.08 -0.60 0.00 0.00 -1.01 0.00 0.00 64.21 62.69 1ua6 n SER 31 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1ua6 s ASP 32 N -0.70 -0.10 -0.12 6.43 -1.08 -0.99 -5.06 116.67 115.06 1ua6 s ASP 32 Ca 0.43 -0.73 -0.06 0.00 -0.52 0.00 0.00 52.55 51.66 1ua6 s ASP 32 Cb 0.31 0.65 -0.04 0.00 -1.46 0.00 0.00 42.92 42.37 1ua6 s ASP 32 CO 0.16 -1.25 0.12 -0.31 0.52 0.00 0.00 175.17 174.41 1ua6 s TYR 33 N -2.85 3.51 -0.03 -5.34 1.51 -1.26 -3.63 117.35 109.26 1ua6 s TYR 33 Ca 0.15 0.46 0.07 0.00 -1.01 0.00 0.00 57.07 56.75 1ua6 s TYR 33 Cb -0.04 -1.93 -0.02 0.00 -0.11 0.00 0.00 41.96 39.87 1ua6 s TYR 33 CO 0.07 0.67 -0.26 -1.58 -1.11 0.00 0.00 175.55 173.34 1ua6 s TRP 34 N -0.93 2.36 0.36 2.71 0.52 0.17 -1.25 118.94 122.89 1ua6 s TRP 34 Ca 0.14 -0.53 0.06 0.00 0.02 0.00 0.00 56.10 55.80 1ua6 s TRP 34 Cb -0.12 -1.53 -0.07 0.00 -1.15 0.00 0.00 33.47 30.60 1ua6 s TRP 34 CO 0.03 -0.09 0.01 -1.12 0.02 0.00 0.00 176.95 175.80 1ua6 s SER 35 N -0.47 3.21 -0.04 2.95 0.01 0.23 -0.38 113.70 119.20 1ua6 s SER 35 Ca 0.06 -1.33 0.01 0.00 1.31 0.00 0.00 55.95 55.99 1ua6 s SER 35 Cb -0.11 -0.26 0.02 0.00 0.21 0.00 0.00 66.02 65.88 1ua6 s SER 35 CO 0.00 -0.47 -0.04 0.26 0.41 0.00 0.00 173.24 173.41 1ua6 s TRP 36 N -2.94 0.67 0.04 2.43 0.52 -0.74 -2.49 118.94 116.43 1ua6 s TRP 36 Ca 0.35 -0.17 0.03 0.00 0.02 0.00 0.00 56.10 56.33 1ua6 s TRP 36 Cb 0.08 -0.60 -0.02 0.00 -1.15 0.00 0.00 33.47 31.77 1ua6 s TRP 36 CO 0.16 -0.17 -0.10 0.42 0.02 0.00 0.00 176.95 177.28 1ua6 s ILE 37 N 0.86 0.77 0.06 2.03 1.09 -0.09 -1.11 121.20 124.82 1ua6 s ILE 37 Ca -0.11 -1.01 0.03 0.00 -1.10 0.00 0.00 60.65 58.45 1ua6 s ILE 37 Cb -0.14 -0.76 -0.03 0.00 -1.06 0.00 0.00 42.46 40.47 1ua6 s ILE 37 CO 0.00 -0.21 -0.09 0.00 -0.10 0.00 0.00 174.94 174.55 1ua6 s ARG 38 N -1.35 0.67 -0.17 2.79 1.70 -0.69 0.14 118.95 122.03 1ua6 s ARG 38 Ca -0.04 -0.94 0.01 0.00 -0.47 0.00 0.00 55.73 54.29 1ua6 s ARG 38 Cb -0.09 -0.38 0.01 0.00 -0.57 0.00 0.00 34.95 33.92 1ua6 s ARG 38 CO 0.01 0.06 -0.19 0.21 -1.08 0.00 0.00 175.30 174.31 1ua6 s LYS 39 N -2.16 3.04 0.58 3.89 2.20 0.11 -1.26 119.74 126.14 1ua6 s LYS 39 Ca -0.03 -0.82 -0.03 0.00 -0.36 0.00 0.00 55.97 54.73 1ua6 s LYS 39 Cb -0.06 -2.57 0.03 0.00 -1.51 0.00 0.00 37.83 33.71 1ua6 s LYS 39 CO -0.00 -0.14 0.85 -0.06 -0.36 0.00 0.00 175.35 175.63 1ua6 s PHE 40 N 1.15 3.05 0.63 4.03 0.08 0.81 -0.88 117.98 126.85 1ua6 s PHE 40 Ca 0.01 0.33 -0.19 0.00 0.12 0.00 0.00 56.93 57.20 1ua6 s PHE 40 Cb -0.14 -2.77 -0.02 0.00 -0.57 0.00 0.00 43.02 39.52 1ua6 s PHE 40 CO -0.09 -0.89 1.29 -2.14 -0.10 0.00 0.00 175.22 173.29 1ua6 s PRO 41 N -4.91 2.66 0.00 0.24 0.02 -1.26 -3.02 135.00 128.73 1ua6 s PRO 41 Ca 0.55 2.06 0.00 0.00 0.02 0.00 0.00 61.00 63.63 1ua6 s PRO 41 Cb -0.10 -1.90 0.00 0.00 0.02 0.00 0.00 34.50 32.52 1ua6 s PRO 41 CO 0.42 -1.51 0.00 0.41 -0.33 0.00 0.00 177.00 175.99 1ua6 n GLY 42 N 0.84 0.61 3.31 0.52 0.00 -1.26 -4.16 105.19 105.06 1ua6 n GLY 42 Ca 0.15 -0.75 -0.24 0.00 0.00 0.00 0.00 46.02 45.18 1ua6 n GLY 42 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1ua6 n ASN 43 N 1.41 -5.61 -4.56 1.61 3.02 -1.17 -4.97 115.26 105.00 1ua6 n ASN 43 Ca 0.00 -0.42 -0.39 0.00 -0.03 0.00 0.00 54.58 53.74 1ua6 n ASN 43 Cb 0.06 -4.51 -0.10 0.00 -0.61 0.00 0.00 39.78 34.62 1ua6 n ASN 43 CO 0.00 0.00 0.00 -0.60 -2.62 0.00 0.00 177.26 174.04 1ua6 s ARG 44 N -6.00 3.72 -0.12 3.52 3.52 -1.19 -4.95 118.95 117.45 1ua6 s ARG 44 Ca 0.43 -0.42 -0.06 0.00 -0.13 0.00 0.00 55.73 55.55 1ua6 s ARG 44 Cb -0.20 -3.74 -0.04 0.00 -1.56 0.00 0.00 34.95 29.41 1ua6 s ARG 44 CO 0.53 -0.35 0.11 -0.51 -0.81 0.00 0.00 175.30 174.26 1ua6 s LEU 45 N 1.83 4.17 -0.06 -0.88 1.43 -1.26 -0.13 118.68 123.78 1ua6 s LEU 45 Ca 0.08 0.36 0.02 0.00 -1.03 0.00 0.00 54.13 53.56 1ua6 s LEU 45 Cb -0.17 -2.01 0.02 0.00 0.03 0.00 0.00 46.19 44.06 1ua6 s LEU 45 CO 0.11 0.38 -0.09 -0.70 0.23 0.00 0.00 176.35 176.28 1ua6 s GLU 46 N -0.83 1.32 -0.29 1.70 2.12 -0.39 -5.01 118.70 117.32 1ua6 s GLU 46 Ca 0.14 -0.28 -0.23 0.00 0.36 0.00 0.00 54.97 54.95 1ua6 s GLU 46 Cb -0.12 -1.16 -0.00 0.00 0.26 0.00 0.00 34.13 33.11 1ua6 s GLU 46 CO 0.03 -0.02 0.77 -0.47 -0.54 0.00 0.00 175.26 175.03 1ua6 s TYR 47 N 0.77 3.22 -0.01 5.30 6.14 -1.26 -1.71 117.35 129.80 1ua6 s TYR 47 Ca -0.13 0.84 -0.17 0.00 0.64 0.00 0.00 57.07 58.24 1ua6 s TYR 47 Cb -0.15 -3.15 -0.34 0.00 0.42 0.00 0.00 41.96 38.74 1ua6 s TYR 47 CO 0.02 -0.52 0.92 0.52 0.64 0.00 0.00 175.55 177.13 1ua6 h MET 48 N 8.05 0.45 0.00 4.97 2.86 -1.48 -3.41 114.93 126.36 1ua6 h MET 48 Ca -0.24 -0.76 0.00 0.00 -2.06 0.00 0.00 59.70 56.63 1ua6 h MET 48 Cb 1.10 0.28 0.00 0.00 0.06 0.00 0.00 31.60 33.04 1ua6 h MET 48 CO 0.87 1.37 0.00 0.41 1.06 0.00 0.00 176.91 180.61 1ua6 n GLY 49 N 1.72 0.94 3.27 8.32 0.00 -1.20 -1.23 105.19 117.01 1ua6 n GLY 49 Ca -0.17 -1.17 -0.09 0.00 0.00 0.00 0.00 46.02 44.59 1ua6 n GLY 49 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1ua6 s TYR 50 N -2.00 0.39 -0.06 1.61 1.13 -0.61 -1.79 117.35 116.02 1ua6 s TYR 50 Ca 0.00 -0.78 0.03 0.00 -1.41 0.00 0.00 57.07 54.91 1ua6 s TYR 50 Cb 0.00 -0.12 0.01 0.00 -1.10 0.00 0.00 41.96 40.75 1ua6 s TYR 50 CO 0.00 -0.64 -0.14 0.54 -2.51 0.00 0.00 175.55 172.80 1ua6 s VAL 51 N -3.95 1.21 0.80 -3.49 0.11 0.49 -1.42 120.40 114.15 1ua6 s VAL 51 Ca 0.14 -0.55 -0.11 0.00 -2.93 0.00 0.00 61.98 58.54 1ua6 s VAL 51 Cb 0.04 -1.08 0.10 0.00 -1.53 0.00 0.00 36.38 33.91 1ua6 s VAL 51 CO -0.03 0.37 1.15 -0.94 -3.33 0.00 0.00 175.10 172.32 1ua6 s SER 52 N 0.45 4.30 0.57 3.54 1.04 -0.22 -0.66 113.70 122.73 1ua6 s SER 52 Ca -0.11 0.51 0.34 0.00 0.48 0.00 0.00 55.95 57.18 1ua6 s SER 52 Cb -0.14 -0.95 1.71 0.00 0.10 0.00 0.00 66.02 66.74 1ua6 s SER 52 CO 0.03 -1.98 2.13 -1.28 0.98 0.00 0.00 173.24 173.12 1ua6 h SER 53 N -1.01 0.00 -0.62 7.02 0.87 -1.88 -1.68 113.55 116.25 1ua6 h SER 53 Ca -0.45 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.11 1ua6 h SER 53 Cb 1.30 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.26 1ua6 h SER 53 CO 0.57 0.05 0.00 0.49 -0.53 0.00 0.00 176.83 177.41 1ua6 n PHE 54 N -3.30 0.83 -0.39 2.24 3.01 -1.26 -4.94 117.46 113.64 1ua6 n PHE 54 Ca -0.01 -0.41 0.00 0.00 1.01 0.00 0.00 57.45 58.03 1ua6 n PHE 54 Cb 0.21 -0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.68 1ua6 n PHE 54 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1ua6 n GLY 55 N 1.47 1.03 3.73 1.37 0.00 -0.63 -5.04 105.19 107.12 1ua6 n GLY 55 Ca 0.21 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.81 1ua6 n GLY 55 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ua6 s SER 56 N -3.03 6.92 0.08 1.61 0.01 -1.26 -4.75 113.70 113.28 1ua6 s SER 56 Ca 0.00 2.35 0.07 0.00 1.31 0.00 0.00 55.95 59.67 1ua6 s SER 56 Cb 0.00 -2.60 -0.04 0.00 0.21 0.00 0.00 66.02 63.59 1ua6 s SER 56 CO 0.00 -0.52 -0.11 0.42 0.41 0.00 0.00 173.24 173.44 1ua6 s THR 57 N 0.30 3.31 -0.08 1.44 -4.23 -1.26 -1.06 115.64 114.06 1ua6 s THR 57 Ca 0.58 -1.21 -0.01 0.00 -1.18 0.00 0.00 61.69 59.87 1ua6 s THR 57 Cb -0.36 -2.52 0.03 0.00 1.34 0.00 0.00 72.50 70.99 1ua6 s THR 57 CO 0.36 0.17 -0.03 -0.36 -0.54 0.00 0.00 174.62 174.23 1ua6 s PHE 58 N -1.15 0.91 0.01 3.99 0.40 -0.51 -5.00 117.98 116.62 1ua6 s PHE 58 Ca 0.20 -0.33 0.07 0.00 -0.60 0.00 0.00 56.93 56.27 1ua6 s PHE 58 Cb -0.11 -0.91 -0.03 0.00 0.51 0.00 0.00 43.02 42.48 1ua6 s PHE 58 CO 0.12 -0.36 -0.22 0.71 0.70 0.00 0.00 175.22 176.17 1ua6 s TYR 59 N 1.77 2.46 -0.07 0.36 2.02 -1.26 -1.58 117.35 121.06 1ua6 s TYR 59 Ca 0.03 -0.33 -0.30 0.00 -0.37 0.00 0.00 57.07 56.11 1ua6 s TYR 59 Cb -0.13 -1.49 -0.04 0.00 -0.40 0.00 0.00 41.96 39.90 1ua6 s TYR 59 CO -0.05 0.12 1.35 1.21 -1.57 0.00 0.00 175.55 176.61 1ua6 s ASN 60 N -1.00 6.89 0.60 2.29 3.84 -0.36 -4.89 114.94 122.31 1ua6 s ASN 60 Ca 0.12 1.95 0.29 0.00 0.21 0.00 0.00 52.86 55.42 1ua6 s ASN 60 Cb -0.10 -2.55 1.46 0.00 -0.55 0.00 0.00 41.25 39.50 1ua6 s ASN 60 CO 0.02 -0.73 1.87 -0.65 -2.79 0.00 0.00 177.10 174.81 1ua6 h PRO 61 N 8.10 0.00 -0.12 0.43 0.11 -1.95 0.19 132.00 138.75 1ua6 h PRO 61 Ca -0.34 0.00 0.04 0.00 0.11 0.00 0.00 66.00 65.81 1ua6 h PRO 61 Cb 1.15 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.26 1ua6 h PRO 61 CO 0.92 0.00 0.12 0.66 -0.21 0.00 0.00 178.00 179.50 1ua6 h SER 62 N 0.00 0.00 0.24 -2.05 4.64 -1.97 0.19 113.55 114.60 1ua6 h SER 62 Ca 0.21 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.53 1ua6 h SER 62 Cb 1.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 1ua6 h SER 62 CO -0.00 0.00 -0.00 0.18 -0.87 0.00 0.00 176.83 176.14 1ua6 n LEU 63 N -3.98 0.02 -3.64 5.97 4.77 0.05 -4.92 117.00 115.28 1ua6 n LEU 63 Ca 0.00 0.11 -0.27 0.00 -0.03 0.00 0.00 56.01 55.82 1ua6 n LEU 63 Cb 0.23 -0.12 0.02 0.00 -2.33 0.00 0.00 43.42 41.22 1ua6 n LEU 63 CO 0.29 0.00 0.05 0.29 -1.33 0.00 0.00 177.39 176.70 1ua6 n LYS 64 N -1.10 -4.78 -2.18 3.23 4.01 0.05 -1.94 118.16 115.45 1ua6 n LYS 64 Ca 0.20 0.60 -0.20 0.00 -0.51 0.00 0.00 58.31 58.40 1ua6 n LYS 64 Cb 0.17 -5.44 -0.03 0.00 -0.51 0.00 0.00 35.03 29.22 1ua6 n LYS 64 CO 0.00 0.00 0.00 0.43 -1.11 0.00 0.00 177.40 176.72 1ua6 n SER 65 N -2.63 -5.73 -0.41 4.39 7.64 -1.26 -4.85 113.62 110.76 1ua6 n SER 65 Ca 0.01 0.12 0.13 0.00 1.01 0.00 0.00 58.87 60.13 1ua6 n SER 65 Cb 0.54 -4.82 0.31 0.00 -1.01 0.00 0.00 64.21 59.23 1ua6 n SER 65 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1ua6 n ARG 66 N -2.82 1.24 -3.99 1.43 1.74 -0.82 -4.94 116.66 108.50 1ua6 n ARG 66 Ca -0.23 -0.83 -0.32 0.00 -0.77 0.00 0.00 57.85 55.69 1ua6 n ARG 66 Cb 0.68 -1.48 -0.06 0.00 -1.02 0.00 0.00 32.46 30.58 1ua6 n ARG 66 CO 0.00 0.00 0.00 -1.50 -1.52 0.00 0.00 177.63 174.61 1ua6 s ILE 67 N -2.34 5.06 -0.02 0.55 2.07 -1.26 -0.68 121.20 124.57 1ua6 s ILE 67 Ca 0.26 -0.37 -0.00 0.00 -1.41 0.00 0.00 60.65 59.14 1ua6 s ILE 67 Cb 0.19 -3.37 0.03 0.00 0.13 0.00 0.00 42.46 39.44 1ua6 s ILE 67 CO 0.47 0.28 0.04 -0.55 -1.91 0.00 0.00 174.94 173.26 1ua6 s SER 68 N -2.02 0.05 -0.14 4.50 0.15 0.07 -4.99 113.70 111.33 1ua6 s SER 68 Ca 0.27 0.06 0.03 0.00 0.70 0.00 0.00 55.95 57.00 1ua6 s SER 68 Cb -0.12 -0.05 0.01 0.00 -1.71 0.00 0.00 66.02 64.14 1ua6 s SER 68 CO 0.19 -0.12 -0.22 -0.63 1.20 0.00 0.00 173.24 173.66 1ua6 s ILE 69 N 1.03 2.09 0.32 6.45 1.01 -1.26 -0.66 121.20 130.17 1ua6 s ILE 69 Ca -0.09 -0.98 0.03 0.00 0.00 0.00 0.00 60.65 59.62 1ua6 s ILE 69 Cb -0.12 -1.83 -0.05 0.00 0.01 0.00 0.00 42.46 40.47 1ua6 s ILE 69 CO -0.03 0.55 0.11 0.42 0.00 0.00 0.00 174.94 175.99 1ua6 s THR 70 N 0.75 0.67 0.05 2.92 -4.23 -1.13 -4.96 115.64 109.71 1ua6 s THR 70 Ca -0.09 -2.00 0.01 0.00 -1.18 0.00 0.00 61.69 58.43 1ua6 s THR 70 Cb -0.16 -2.59 -0.03 0.00 1.34 0.00 0.00 72.50 71.06 1ua6 s THR 70 CO -0.00 0.00 -0.06 -0.13 -0.54 0.00 0.00 174.62 173.89 1ua6 s ARG 71 N -3.88 0.58 -0.32 3.99 0.52 -1.26 0.23 118.95 118.81 1ua6 s ARG 71 Ca 0.34 -0.96 -0.02 0.00 -0.52 0.00 0.00 55.73 54.58 1ua6 s ARG 71 Cb 0.06 -0.10 0.11 0.00 0.52 0.00 0.00 34.95 35.55 1ua6 s ARG 71 CO 0.15 -0.02 0.14 0.34 0.02 0.00 0.00 175.30 175.93 1ua6 s ASP 72 N -2.17 3.67 0.28 0.23 -1.08 -0.07 -4.98 116.67 112.55 1ua6 s ASP 72 Ca -0.03 -1.69 -0.03 0.00 -0.52 0.00 0.00 52.55 50.29 1ua6 s ASP 72 Cb -0.03 -0.63 0.38 0.00 -1.46 0.00 0.00 42.92 41.18 1ua6 s ASP 72 CO -0.03 -0.40 1.92 0.71 0.52 0.00 0.00 175.17 177.89 1ua6 h THR 73 N 6.14 1.23 -0.13 1.71 1.35 -1.96 0.90 112.91 122.14 1ua6 h THR 73 Ca -0.12 -0.52 -0.03 0.00 -0.55 0.00 0.00 66.41 65.19 1ua6 h THR 73 Cb 1.00 0.11 -0.01 0.00 -1.73 0.00 0.00 68.15 67.52 1ua6 h THR 73 CO 0.43 0.24 -0.05 0.77 -0.25 0.00 0.00 175.52 176.66 1ua6 h SER 74 N 1.11 0.17 0.00 5.36 4.64 -1.95 -1.83 113.55 121.06 1ua6 h SER 74 Ca 0.29 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.58 1ua6 h SER 74 Cb -0.03 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 62.02 1ua6 h SER 74 CO -0.05 0.26 -0.29 0.29 -0.87 0.00 0.00 176.83 176.17 1ua6 n LYS 75 N -4.37 1.55 -3.92 4.77 5.02 -0.88 -4.97 118.16 115.37 1ua6 n LYS 75 Ca -0.01 -1.25 -0.29 0.00 -2.02 0.00 0.00 58.31 54.74 1ua6 n LYS 75 Cb 0.20 -1.47 0.02 0.00 -0.02 0.00 0.00 35.03 33.75 1ua6 n LYS 75 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1ua6 n ASN 76 N 0.36 -3.93 -4.35 4.39 4.05 0.25 -4.83 115.26 111.21 1ua6 n ASN 76 Ca 0.11 -0.82 -0.18 0.00 0.45 0.00 0.00 54.58 54.15 1ua6 n ASN 76 Cb 0.49 -3.75 -0.10 0.00 1.23 0.00 0.00 39.78 37.65 1ua6 n ASN 76 CO 0.00 0.00 0.00 -1.10 -3.05 0.00 0.00 177.26 173.11 1ua6 s GLN 77 N -6.56 1.36 0.05 1.20 -0.21 -0.84 -2.06 119.66 112.61 1ua6 s GLN 77 Ca 0.55 -1.68 -0.01 0.00 0.02 0.00 0.00 55.36 54.24 1ua6 s GLN 77 Cb -0.28 -0.73 -0.04 0.00 1.00 0.00 0.00 33.01 32.96 1ua6 s GLN 77 CO 0.84 -0.06 -0.03 1.52 -2.12 0.00 0.00 175.29 175.44 1ua6 s TYR 78 N -3.33 0.54 0.27 0.91 1.13 -0.95 -0.89 117.35 115.02 1ua6 s TYR 78 Ca 0.28 -1.07 0.03 0.00 -1.41 0.00 0.00 57.07 54.90 1ua6 s TYR 78 Cb 0.05 -0.39 -0.06 0.00 -1.10 0.00 0.00 41.96 40.46 1ua6 s TYR 78 CO 0.09 -0.37 0.04 0.71 -2.51 0.00 0.00 175.55 173.50 1ua6 s TYR 79 N -3.91 1.68 -0.08 -3.49 2.02 0.14 -1.67 117.35 112.03 1ua6 s TYR 79 Ca 0.07 -1.00 0.01 0.00 -0.37 0.00 0.00 57.07 55.78 1ua6 s TYR 79 Cb 0.08 -1.02 0.02 0.00 -0.40 0.00 0.00 41.96 40.64 1ua6 s TYR 79 CO -0.10 -0.10 -0.08 -1.17 -1.57 0.00 0.00 175.55 172.53 1ua6 s LEU 80 N -3.36 1.31 -0.08 -1.29 2.96 -0.51 -2.83 118.68 114.88 1ua6 s LEU 80 Ca 0.33 -0.25 0.04 0.00 -0.22 0.00 0.00 54.13 54.03 1ua6 s LEU 80 Cb 0.07 -0.74 0.00 0.00 0.50 0.00 0.00 46.19 46.02 1ua6 s LEU 80 CO 0.12 -0.07 -0.21 -1.81 -1.32 0.00 0.00 176.35 173.06 1ua6 s ASP 81 N 1.27 2.74 -0.18 3.68 -0.00 0.16 -1.06 116.67 123.28 1ua6 s ASP 81 Ca -0.04 -0.48 -0.02 0.00 -0.00 0.00 0.00 52.55 52.01 1ua6 s ASP 81 Cb -0.14 -1.11 0.05 0.00 -0.00 0.00 0.00 42.92 41.73 1ua6 s ASP 81 CO -0.03 0.15 0.01 -0.22 -0.00 0.00 0.00 175.17 175.09 1ua6 s LEU 82 N 0.27 1.27 0.65 1.23 2.96 0.27 -0.75 118.68 124.58 1ua6 s LEU 82 Ca -0.14 -0.74 -0.09 0.00 -0.22 0.00 0.00 54.13 52.94 1ua6 s LEU 82 Cb -0.16 -0.66 0.01 0.00 0.50 0.00 0.00 46.19 45.88 1ua6 s LEU 82 CO 0.06 -0.27 1.00 0.20 -1.32 0.00 0.00 176.35 176.03 1ua6 s ASN 83 N 1.81 5.54 -1.05 3.68 0.01 0.14 -0.28 114.94 124.79 1ua6 s ASN 83 Ca -0.00 0.95 -0.30 0.00 -0.71 0.00 0.00 52.86 52.79 1ua6 s ASN 83 Cb -0.16 -1.85 0.04 0.00 0.41 0.00 0.00 41.25 39.69 1ua6 s ASN 83 CO -0.07 -1.20 0.59 -1.20 -1.51 0.00 0.00 177.10 173.70 1ua6 n SER 84 N -2.80 -3.57 -4.81 -1.22 7.64 -0.97 -4.90 113.62 102.99 1ua6 n SER 84 Ca 0.06 -1.13 -0.32 0.00 1.01 0.00 0.00 58.87 58.49 1ua6 n SER 84 Cb 0.57 -1.37 0.04 0.00 -1.01 0.00 0.00 64.21 62.44 1ua6 n SER 84 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 1ua6 s VAL 85 N -3.70 3.94 0.34 0.44 -7.23 -0.77 -4.63 120.40 108.79 1ua6 s VAL 85 Ca 0.42 0.72 0.05 0.00 -1.81 0.00 0.00 61.98 61.36 1ua6 s VAL 85 Cb -0.23 -3.38 -0.03 0.00 0.56 0.00 0.00 36.38 33.30 1ua6 s VAL 85 CO 0.85 -0.73 0.19 0.42 -0.31 0.00 0.00 175.10 175.52 1ua6 s THR 86 N -2.84 0.28 0.60 5.32 -4.23 -1.26 0.16 115.64 113.66 1ua6 s THR 86 Ca 0.60 -2.00 0.39 0.00 -1.18 0.00 0.00 61.69 59.50 1ua6 s THR 86 Cb -0.15 -2.45 0.39 0.00 1.34 0.00 0.00 72.50 71.63 1ua6 s THR 86 CO 0.49 0.00 2.20 0.71 -0.54 0.00 0.00 174.62 177.48 1ua6 h THR 87 N 2.06 0.00 0.00 3.99 1.35 -1.99 0.10 112.91 118.43 1ua6 h THR 87 Ca -0.31 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.55 1ua6 h THR 87 Cb 1.25 0.87 0.00 0.00 -1.73 0.00 0.00 68.15 68.54 1ua6 h THR 87 CO 0.48 0.00 0.00 -0.62 -0.25 0.00 0.00 175.52 175.13 1ua6 n GLU 88 N -2.96 0.04 -0.21 4.72 -0.58 -1.26 -2.30 120.64 118.09 1ua6 n GLU 88 Ca -0.03 0.22 0.12 0.00 -0.42 0.00 0.00 57.16 57.05 1ua6 n GLU 88 Cb 0.15 -1.50 0.24 0.00 -0.57 0.00 0.00 31.44 29.75 1ua6 n GLU 88 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 1ua6 n ASP 89 N -1.46 3.48 -4.69 1.62 10.43 0.36 -4.90 116.55 121.39 1ua6 n ASP 89 Ca 0.04 -1.99 -0.42 0.00 2.57 0.00 0.00 54.79 54.99 1ua6 n ASP 89 Cb 0.17 -0.28 -0.03 0.00 1.84 0.00 0.00 41.12 42.82 1ua6 n ASP 89 CO 0.00 0.00 0.00 -0.89 -1.07 0.00 0.00 177.20 175.24 1ua6 s THR 90 N -1.44 3.82 0.05 -3.53 2.01 -0.97 -4.82 115.64 110.75 1ua6 s THR 90 Ca 0.40 1.21 -0.27 0.00 0.31 0.00 0.00 61.69 63.34 1ua6 s THR 90 Cb 0.23 -3.78 0.09 0.00 0.01 0.00 0.00 72.50 69.06 1ua6 s THR 90 CO 0.32 0.01 1.20 0.00 -0.69 0.00 0.00 174.62 175.45 1ua6 s ALA 91 N 2.19 -2.12 -0.26 7.40 0.00 -0.83 -4.70 121.76 123.44 1ua6 s ALA 91 Ca 0.62 0.10 -0.14 0.00 0.00 0.00 0.00 51.96 52.54 1ua6 s ALA 91 Cb -0.30 0.71 -0.04 0.00 0.00 0.00 0.00 23.12 23.49 1ua6 s ALA 91 CO 0.26 -1.10 0.32 0.99 0.00 0.00 0.00 175.76 176.23 1ua6 s THR 92 N -2.25 5.22 -0.17 0.00 2.01 -0.06 -1.27 115.64 119.12 1ua6 s THR 92 Ca 0.22 0.47 -0.10 0.00 0.31 0.00 0.00 61.69 62.60 1ua6 s THR 92 Cb 0.00 -3.65 -0.05 0.00 0.01 0.00 0.00 72.50 68.82 1ua6 s THR 92 CO 0.00 0.21 0.15 -0.31 -0.69 0.00 0.00 174.62 173.98 1ua6 s TYR 93 N 1.80 3.47 0.05 4.92 1.51 0.76 0.06 117.35 129.92 1ua6 s TYR 93 Ca 0.13 0.41 0.06 0.00 -1.01 0.00 0.00 57.07 56.66 1ua6 s TYR 93 Cb -0.15 -2.12 -0.02 0.00 -0.11 0.00 0.00 41.96 39.55 1ua6 s TYR 93 CO 0.09 0.40 -0.16 0.71 -1.11 0.00 0.00 175.55 175.48 1ua6 s TYR 94 N -0.00 1.42 0.08 2.71 1.51 0.12 -0.50 117.35 122.69 1ua6 s TYR 94 Ca 0.11 -0.37 0.06 0.00 -1.01 0.00 0.00 57.07 55.86 1ua6 s TYR 94 Cb -0.12 -0.84 -0.04 0.00 -0.11 0.00 0.00 41.96 40.86 1ua6 s TYR 94 CO 0.00 0.06 -0.07 0.00 -1.11 0.00 0.00 175.55 174.43 1ua6 s ALA 96 N -1.20 -1.67 0.69 0.00 0.00 -1.04 -0.39 121.76 118.15 1ua6 s ALA 96 Ca 0.22 0.72 -0.11 0.00 0.00 0.00 0.00 51.96 52.78 1ua6 s ALA 96 Cb -0.11 0.65 0.01 0.00 0.00 0.00 0.00 23.12 23.67 1ua6 s ALA 96 CO 0.14 -0.69 1.06 0.54 0.00 0.00 0.00 175.76 176.80 1ua6 s ASN 97 N -2.47 5.47 0.33 0.00 6.03 -0.71 -0.60 114.94 122.99 1ua6 s ASN 97 Ca 0.00 1.46 0.08 0.00 -1.03 0.00 0.00 52.86 53.38 1ua6 s ASN 97 Cb -0.01 -2.35 0.80 0.00 -3.03 0.00 0.00 41.25 36.66 1ua6 s ASN 97 CO -0.09 -1.37 1.82 -0.25 -2.03 0.00 0.00 177.10 175.18 1ua6 h TRP 98 N -0.67 0.93 0.00 1.54 7.01 -1.50 -1.50 115.95 121.77 1ua6 h TRP 98 Ca -0.44 0.03 -0.05 0.00 2.11 0.00 0.00 58.89 60.54 1ua6 h TRP 98 Cb 1.22 -0.29 -0.01 0.00 -2.10 0.00 0.00 29.16 27.99 1ua6 h TRP 98 CO 0.59 0.26 -0.22 -0.44 -2.79 0.00 0.00 178.44 175.85 1ua6 h ASP 99 N 0.71 0.00 0.00 2.65 3.32 -1.92 -3.47 116.42 117.72 1ua6 h ASP 99 Ca 0.52 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.57 1ua6 h ASP 99 Cb 0.87 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.42 1ua6 h ASP 99 CO -0.29 0.22 0.00 0.61 -1.72 0.00 0.00 179.24 178.06 1ua6 n GLY 100 N -0.24 0.75 0.16 2.75 0.00 -0.56 -4.96 105.19 103.09 1ua6 n GLY 100 Ca -0.01 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.85 1ua6 n GLY 100 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1ua6 h ASP 101 N 0.00 0.63 -3.32 1.61 3.45 -1.91 -3.45 116.42 113.44 1ua6 h ASP 101 Ca 0.00 -0.53 -0.66 0.00 0.43 0.00 0.00 57.03 56.27 1ua6 h ASP 101 Cb 0.00 -0.20 -0.27 0.00 -0.56 0.00 0.00 39.33 38.30 1ua6 h ASP 101 CO 0.00 1.33 -0.77 -0.31 -1.57 0.00 0.00 179.24 177.93 1ua6 s TYR 102 N -3.20 2.83 0.09 4.55 2.02 -1.26 -5.04 117.35 117.34 1ua6 s TYR 102 Ca -0.07 -0.74 0.06 0.00 -0.37 0.00 0.00 57.07 55.94 1ua6 s TYR 102 Cb 0.08 -1.88 -0.03 0.00 -0.40 0.00 0.00 41.96 39.72 1ua6 s TYR 102 CO 0.89 -0.29 -0.15 -1.58 -1.57 0.00 0.00 175.55 172.85 1ua6 s TRP 103 N 0.56 1.33 0.14 2.71 0.52 -1.26 -1.73 118.94 121.20 1ua6 s TRP 103 Ca -0.08 -0.49 -0.02 0.00 0.02 0.00 0.00 56.10 55.52 1ua6 s TRP 103 Cb -0.16 -0.73 0.03 0.00 -1.15 0.00 0.00 33.47 31.47 1ua6 s TRP 103 CO 0.04 0.10 0.19 0.41 0.02 0.00 0.00 176.95 177.70 1ua6 n GLY 104 N 0.98 -1.15 0.13 0.98 0.00 0.47 -4.43 105.19 102.17 1ua6 n GLY 104 Ca -0.19 -1.68 0.12 0.00 0.00 0.00 0.00 46.02 44.27 1ua6 n GLY 104 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1ua6 h GLN 105 N 0.00 0.00 0.00 1.61 7.50 -1.89 -3.46 115.11 118.86 1ua6 h GLN 105 Ca -0.06 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.09 1ua6 h GLN 105 Cb 0.17 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.70 1ua6 h GLN 105 CO 0.04 0.00 0.00 0.41 -1.50 0.00 0.00 178.83 177.78 1ua6 n GLY 106 N 1.21 -1.30 2.85 3.46 0.00 -1.26 -5.05 105.19 105.10 1ua6 n GLY 106 Ca 0.03 -1.32 -0.16 0.00 0.00 0.00 0.00 46.02 44.56 1ua6 n GLY 106 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1ua6 s THR 107 N -1.94 0.19 -0.09 2.61 -1.32 0.35 -4.91 115.64 110.52 1ua6 s THR 107 Ca 0.00 0.03 -0.27 0.00 -1.21 0.00 0.00 61.69 60.24 1ua6 s THR 107 Cb 0.00 -0.25 -0.02 0.00 -1.51 0.00 0.00 72.50 70.72 1ua6 s THR 107 CO 0.00 0.12 0.88 -0.22 -2.21 0.00 0.00 174.62 173.19 1ua6 s LEU 108 N 0.72 4.27 -0.13 9.08 2.96 -1.26 -0.17 118.68 134.15 1ua6 s LEU 108 Ca -0.07 1.37 0.03 0.00 -0.22 0.00 0.00 54.13 55.24 1ua6 s LEU 108 Cb -0.10 -3.35 0.01 0.00 0.50 0.00 0.00 46.19 43.25 1ua6 s LEU 108 CO -0.01 -0.31 -0.21 -0.69 -1.32 0.00 0.00 176.35 173.81 1ua6 s VAL 109 N 1.52 1.97 -0.16 1.68 1.01 -0.40 -4.59 120.40 121.44 1ua6 s VAL 109 Ca 0.44 -0.93 -0.03 0.00 0.00 0.00 0.00 61.98 61.46 1ua6 s VAL 109 Cb -0.18 -1.74 -0.02 0.00 0.00 0.00 0.00 36.38 34.44 1ua6 s VAL 109 CO 0.19 0.53 -0.06 -0.89 0.00 0.00 0.00 175.10 174.87 1ua6 s THR 110 N 0.77 3.59 -0.33 3.92 2.01 0.10 -1.97 115.64 123.73 1ua6 s THR 110 Ca -0.09 -0.46 -0.13 0.00 0.31 0.00 0.00 61.69 61.32 1ua6 s THR 110 Cb -0.16 -2.56 -0.02 0.00 0.01 0.00 0.00 72.50 69.77 1ua6 s THR 110 CO -0.00 0.49 0.23 -0.69 -0.69 0.00 0.00 174.62 173.96 1ua6 s VAL 111 N 0.49 5.27 -0.11 3.82 1.01 -1.26 -1.40 120.40 128.22 1ua6 s VAL 111 Ca -0.05 -0.18 -0.17 0.00 0.00 0.00 0.00 61.98 61.58 1ua6 s VAL 111 Cb -0.15 -3.69 0.04 0.00 0.00 0.00 0.00 36.38 32.59 1ua6 s VAL 111 CO 0.03 0.02 0.43 -0.55 0.00 0.00 0.00 175.10 175.03 1ua6 s SER 112 N 1.72 -0.40 0.64 3.32 0.15 -0.51 -4.49 113.70 114.13 1ua6 s SER 112 Ca 0.06 0.63 0.38 0.00 0.70 0.00 0.00 55.95 57.72 1ua6 s SER 112 Cb -0.17 0.69 2.14 0.00 -1.71 0.00 0.00 66.02 66.97 1ua6 s SER 112 CO 0.10 -0.29 2.30 0.00 1.20 0.00 0.00 173.24 176.55 1ua6 h ALA 113 N 4.69 1.25 -0.02 5.45 0.00 -1.96 -3.39 119.26 125.28 1ua6 h ALA 113 Ca -0.28 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.63 1ua6 h ALA 113 Cb 1.17 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.96 1ua6 h ALA 113 CO 0.30 -0.04 0.00 0.00 0.00 0.00 0.00 179.25 179.51