#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uac s VAL 2 N 0.00 4.32 -0.08 5.18 1.01 -1.26 -4.17 120.40 125.40 1uac s VAL 2 Ca 0.00 1.96 -0.03 0.00 0.00 0.00 0.00 61.98 63.91 1uac s VAL 2 Cb 0.00 -4.27 0.04 0.00 0.00 0.00 0.00 36.38 32.15 1uac s VAL 2 CO 0.00 0.44 0.16 0.00 0.00 0.00 0.00 175.10 175.70 1uac s GLN 3 N -0.73 0.09 0.17 2.72 -2.07 -0.67 -4.99 119.66 114.17 1uac s GLN 3 Ca 0.41 0.45 0.07 0.00 -1.82 0.00 0.00 55.36 54.47 1uac s GLN 3 Cb -0.24 -0.19 -0.04 0.00 -1.09 0.00 0.00 33.01 31.45 1uac s GLN 3 CO 0.29 -0.21 0.03 -0.51 -1.32 0.00 0.00 175.29 173.58 1uac s LEU 4 N 1.51 3.44 -0.22 2.60 1.02 -1.26 -0.71 118.68 125.05 1uac s LEU 4 Ca -0.06 -0.32 -0.09 0.00 0.02 0.00 0.00 54.13 53.69 1uac s LEU 4 Cb -0.12 -2.09 0.09 0.00 0.02 0.00 0.00 46.19 44.10 1uac s LEU 4 CO -0.06 0.09 0.49 -1.58 0.02 0.00 0.00 176.35 175.31 1uac s GLN 5 N -2.93 0.43 0.21 1.70 2.00 -0.83 -4.31 119.66 115.93 1uac s GLN 5 Ca 0.28 1.10 -0.14 0.00 -2.00 0.00 0.00 55.36 54.60 1uac s GLN 5 Cb -0.10 0.36 -0.08 0.00 0.80 0.00 0.00 33.01 34.00 1uac s GLN 5 CO 0.20 -0.21 0.61 -1.21 -0.50 0.00 0.00 175.29 174.17 1uac s GLU 6 N 2.35 3.98 0.10 1.67 8.01 -1.26 -1.60 118.70 131.95 1uac s GLU 6 Ca -0.05 0.52 -0.09 0.00 0.01 0.00 0.00 54.97 55.36 1uac s GLU 6 Cb -0.11 -2.75 -0.00 0.00 -4.31 0.00 0.00 34.13 26.96 1uac s GLU 6 CO -0.15 0.36 0.22 -1.54 0.01 0.00 0.00 175.26 174.16 1uac s SER 7 N -1.99 0.09 0.00 -0.19 1.04 -0.50 -4.97 113.70 107.18 1uac s SER 7 Ca 0.44 -0.67 0.00 0.00 0.48 0.00 0.00 55.95 56.20 1uac s SER 7 Cb -0.13 0.36 0.00 0.00 0.10 0.00 0.00 66.02 66.35 1uac s SER 7 CO 0.20 -0.76 0.00 0.61 0.98 0.00 0.00 173.24 174.26 1uac n GLY 8 N -0.10 1.93 3.62 7.32 0.00 -1.26 -0.52 105.19 116.18 1uac n GLY 8 Ca -0.14 -1.61 -0.32 0.00 0.00 0.00 0.00 46.02 43.95 1uac n GLY 8 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1uac n PRO 9 N -1.68 -0.25 -0.00 1.61 -0.04 -1.26 -4.99 135.00 128.38 1uac n PRO 9 Ca 0.00 -0.01 0.02 0.00 -0.04 0.00 0.00 63.50 63.47 1uac n PRO 9 Cb 0.00 -2.27 -0.03 0.00 -0.04 0.00 0.00 33.50 31.16 1uac n PRO 9 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1uac n SER 10 N -3.31 1.01 -4.40 3.54 7.64 -1.26 -4.81 113.62 112.03 1uac n SER 10 Ca 0.11 -0.47 -0.32 0.00 1.01 0.00 0.00 58.87 59.20 1uac n SER 10 Cb 0.52 1.04 -0.14 0.00 -1.01 0.00 0.00 64.21 64.62 1uac n SER 10 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1uac s LEU 11 N -2.44 2.53 0.01 -3.43 1.02 -1.26 -0.59 118.68 114.53 1uac s LEU 11 Ca 0.01 -0.31 0.01 0.00 0.02 0.00 0.00 54.13 53.86 1uac s LEU 11 Cb 0.03 -1.51 -0.01 0.00 0.02 0.00 0.00 46.19 44.72 1uac s LEU 11 CO 0.18 0.29 -0.03 0.68 0.02 0.00 0.00 176.35 177.49 1uac s VAL 12 N -0.42 0.18 0.15 -1.59 -7.23 -0.58 -4.95 120.40 105.96 1uac s VAL 12 Ca 0.05 -0.49 0.07 0.00 -1.81 0.00 0.00 61.98 59.79 1uac s VAL 12 Cb -0.12 -0.23 -0.04 0.00 0.56 0.00 0.00 36.38 36.55 1uac s VAL 12 CO 0.02 -0.20 0.01 -0.54 -0.31 0.00 0.00 175.10 174.08 1uac s LYS 13 N -0.72 2.47 0.41 4.82 1.02 -1.25 -3.23 119.74 123.26 1uac s LYS 13 Ca -0.06 -1.03 -0.23 0.00 0.02 0.00 0.00 55.97 54.67 1uac s LYS 13 Cb -0.05 -2.42 -0.12 0.00 -0.52 0.00 0.00 37.83 34.71 1uac s LYS 13 CO -0.00 0.48 0.65 -2.30 -0.92 0.00 0.00 175.35 173.26 1uac n PRO 14 N 0.03 0.72 -0.66 -1.68 -0.02 -1.25 -1.41 135.00 130.72 1uac n PRO 14 Ca -0.10 0.26 0.00 0.00 -2.02 0.00 0.00 63.50 61.64 1uac n PRO 14 Cb 0.54 -1.60 0.00 0.00 -0.02 0.00 0.00 33.50 32.42 1uac n PRO 14 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 1uac n SER 15 N 1.15 0.00 -4.90 2.55 7.64 0.35 -4.88 113.62 115.52 1uac n SER 15 Ca 0.11 0.00 -0.29 0.00 1.01 0.00 0.00 58.87 59.70 1uac n SER 15 Cb 0.39 -1.49 -0.03 0.00 -1.01 0.00 0.00 64.21 62.06 1uac n SER 15 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1uac s GLN 16 N -0.58 3.64 -0.13 1.43 -2.07 -0.50 -4.11 119.66 117.34 1uac s GLN 16 Ca 0.00 -0.01 -0.28 0.00 -1.82 0.00 0.00 55.36 53.25 1uac s GLN 16 Cb 0.00 -2.68 -0.01 0.00 -1.09 0.00 0.00 33.01 29.23 1uac s GLN 16 CO 0.00 0.26 0.96 0.99 -1.32 0.00 0.00 175.29 176.18 1uac s THR 17 N -2.01 4.81 -0.16 3.63 2.01 -1.26 -2.79 115.64 119.87 1uac s THR 17 Ca 0.44 1.93 -0.22 0.00 0.31 0.00 0.00 61.69 64.14 1uac s THR 17 Cb -0.11 -4.26 -0.03 0.00 0.01 0.00 0.00 72.50 68.11 1uac s THR 17 CO 0.29 0.01 0.67 -1.48 -0.69 0.00 0.00 174.62 173.41 1uac s LEU 18 N 2.06 4.19 -0.07 4.42 0.05 -1.01 -4.89 118.68 123.43 1uac s LEU 18 Ca 0.45 0.96 0.05 0.00 0.05 0.00 0.00 54.13 55.64 1uac s LEU 18 Cb -0.18 -2.97 -0.00 0.00 -2.05 0.00 0.00 46.19 40.99 1uac s LEU 18 CO 0.16 -0.25 -0.22 -0.44 -0.55 0.00 0.00 176.35 175.05 1uac s SER 19 N 1.07 2.82 0.09 1.48 0.01 -1.26 -1.95 113.70 115.96 1uac s SER 19 Ca 0.32 -0.49 0.05 0.00 1.31 0.00 0.00 55.95 57.15 1uac s SER 19 Cb -0.16 -1.01 -0.03 0.00 0.21 0.00 0.00 66.02 65.02 1uac s SER 19 CO 0.12 0.18 -0.14 -0.76 0.41 0.00 0.00 173.24 173.05 1uac s LEU 20 N 0.12 2.33 0.17 2.44 1.02 -0.32 -4.24 118.68 120.21 1uac s LEU 20 Ca -0.10 -0.69 0.10 0.00 0.02 0.00 0.00 54.13 53.45 1uac s LEU 20 Cb -0.15 -0.54 -0.04 0.00 0.02 0.00 0.00 46.19 45.48 1uac s LEU 20 CO 0.05 -0.10 -0.16 0.42 0.02 0.00 0.00 176.35 176.58 1uac s THR 21 N -1.61 2.85 -0.21 5.49 -4.23 0.33 -1.11 115.64 117.14 1uac s THR 21 Ca 0.02 -1.72 0.00 0.00 -1.18 0.00 0.00 61.69 58.82 1uac s THR 21 Cb -0.08 -2.37 0.05 0.00 1.34 0.00 0.00 72.50 71.44 1uac s THR 21 CO 0.02 -0.05 -0.07 0.00 -0.54 0.00 0.00 174.62 173.99 1uac s SER 23 N 1.44 6.47 -0.16 0.00 0.01 -0.63 -0.91 113.70 119.93 1uac s SER 23 Ca -0.03 0.56 -0.06 0.00 1.31 0.00 0.00 55.95 57.73 1uac s SER 23 Cb -0.17 -2.26 -0.04 0.00 0.21 0.00 0.00 66.02 63.76 1uac s SER 23 CO -0.07 -0.15 0.05 -0.69 0.41 0.00 0.00 173.24 172.79 1uac s VAL 24 N 1.59 4.66 0.01 3.43 1.01 -0.20 -1.96 120.40 128.93 1uac s VAL 24 Ca 0.21 -0.09 0.08 0.00 0.00 0.00 0.00 61.98 62.18 1uac s VAL 24 Cb -0.15 -3.06 -0.02 0.00 0.00 0.00 0.00 36.38 33.14 1uac s VAL 24 CO 0.09 0.50 -0.25 -0.89 0.00 0.00 0.00 175.10 174.55 1uac s THR 25 N 0.03 2.21 0.00 3.92 2.01 0.11 -4.79 115.64 119.13 1uac s THR 25 Ca 0.05 -1.20 0.00 0.00 0.31 0.00 0.00 61.69 60.85 1uac s THR 25 Cb -0.12 -1.82 0.00 0.00 0.01 0.00 0.00 72.50 70.57 1uac s THR 25 CO 0.01 0.48 0.00 0.61 -0.69 0.00 0.00 174.62 175.03 1uac n GLY 26 N 2.10 0.73 3.66 4.40 0.00 -1.26 -1.67 105.19 113.16 1uac n GLY 26 Ca -0.16 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.80 1uac n GLY 26 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1uac s ASP 27 N -2.68 -0.24 0.17 1.61 3.68 -1.26 -4.69 116.67 113.25 1uac s ASP 27 Ca 0.00 -0.25 -0.30 0.00 2.13 0.00 0.00 52.55 54.13 1uac s ASP 27 Cb 0.00 0.45 -0.07 0.00 -1.45 0.00 0.00 42.92 41.84 1uac s ASP 27 CO 0.00 -0.79 1.05 -0.55 0.13 0.00 0.00 175.17 175.01 1uac s SER 28 N -2.78 7.36 0.42 -0.34 0.15 -1.26 -4.95 113.70 112.31 1uac s SER 28 Ca 0.10 2.00 0.13 0.00 0.70 0.00 0.00 55.95 58.87 1uac s SER 28 Cb -0.01 -2.60 0.92 0.00 -1.71 0.00 0.00 66.02 62.62 1uac s SER 28 CO -0.02 -0.14 1.96 0.16 1.20 0.00 0.00 173.24 176.40 1uac h ILE 29 N 3.75 1.15 0.00 6.45 3.07 -1.90 -1.36 117.51 128.67 1uac h ILE 29 Ca -0.44 -0.70 0.00 0.00 1.55 0.00 0.00 64.86 65.27 1uac h ILE 29 Cb 1.21 1.30 0.00 0.00 -0.27 0.00 0.00 36.82 39.06 1uac h ILE 29 CO 0.72 0.21 0.00 0.35 -1.05 0.00 0.00 178.15 178.37 1uac n THR 30 N -4.30 0.00 -0.34 0.16 -2.24 -1.26 -1.39 114.28 104.91 1uac n THR 30 Ca -0.02 0.00 0.07 0.00 -2.27 0.00 0.00 64.05 61.83 1uac n THR 30 Cb 0.26 -0.82 0.21 0.00 -2.10 0.00 0.00 70.33 67.88 1uac n THR 30 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1uac n SER 31 N -0.97 3.34 -2.24 3.42 7.64 -0.51 -4.87 113.62 119.43 1uac n SER 31 Ca 0.07 -2.15 -0.07 0.00 1.01 0.00 0.00 58.87 57.72 1uac n SER 31 Cb 0.03 -0.34 0.00 0.00 -1.01 0.00 0.00 64.21 62.90 1uac n SER 31 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1uac n ASP 32 N 0.62 -1.27 -4.70 6.43 -0.08 -0.49 -4.99 116.55 112.07 1uac n ASP 32 Ca 0.16 -2.14 -0.35 0.00 -1.51 0.00 0.00 54.79 50.95 1uac n ASP 32 Cb 0.55 2.18 -0.09 0.00 2.34 0.00 0.00 41.12 46.10 1uac n ASP 32 CO 0.00 0.00 0.00 -0.31 0.12 0.00 0.00 177.20 177.01 1uac s TYR 33 N -4.16 3.28 -0.04 -0.67 1.51 -1.26 -3.83 117.35 112.18 1uac s TYR 33 Ca 0.14 0.21 0.05 0.00 -1.01 0.00 0.00 57.07 56.45 1uac s TYR 33 Cb -0.02 -1.92 -0.00 0.00 -0.11 0.00 0.00 41.96 39.90 1uac s TYR 33 CO 0.10 0.40 -0.18 -1.58 -1.11 0.00 0.00 175.55 173.18 1uac s TRP 34 N -0.45 1.80 0.27 2.71 0.52 0.41 -0.62 118.94 123.57 1uac s TRP 34 Ca 0.09 -0.51 0.12 0.00 0.02 0.00 0.00 56.10 55.82 1uac s TRP 34 Cb -0.12 -1.20 -0.05 0.00 -1.15 0.00 0.00 33.47 30.95 1uac s TRP 34 CO 0.02 -0.16 -0.20 -1.12 0.02 0.00 0.00 176.95 175.51 1uac s SER 35 N -0.01 3.61 -0.14 2.95 0.01 0.02 -1.13 113.70 119.01 1uac s SER 35 Ca -0.03 -0.99 0.02 0.00 1.31 0.00 0.00 55.95 56.26 1uac s SER 35 Cb -0.12 -0.32 0.01 0.00 0.21 0.00 0.00 66.02 65.81 1uac s SER 35 CO 0.02 0.05 -0.21 0.26 0.41 0.00 0.00 173.24 173.77 1uac s TRP 36 N -2.38 2.68 -0.02 2.43 0.52 -0.43 -2.30 118.94 119.43 1uac s TRP 36 Ca 0.29 -1.26 0.05 0.00 0.02 0.00 0.00 56.10 55.20 1uac s TRP 36 Cb -0.05 -1.82 -0.01 0.00 -1.15 0.00 0.00 33.47 30.44 1uac s TRP 36 CO 0.14 -0.56 -0.17 0.42 0.02 0.00 0.00 176.95 176.80 1uac s ILE 37 N 0.76 1.34 0.12 2.03 1.09 -0.16 -0.26 121.20 126.11 1uac s ILE 37 Ca -0.08 -0.71 0.08 0.00 -1.10 0.00 0.00 60.65 58.84 1uac s ILE 37 Cb -0.16 -1.12 -0.04 0.00 -1.06 0.00 0.00 42.46 40.08 1uac s ILE 37 CO -0.00 0.38 -0.20 0.00 -0.10 0.00 0.00 174.94 175.02 1uac s ARG 38 N -0.29 1.15 -0.21 2.79 1.70 -0.08 -1.05 118.95 122.96 1uac s ARG 38 Ca 0.04 -1.21 -0.01 0.00 -0.47 0.00 0.00 55.73 54.07 1uac s ARG 38 Cb -0.08 -1.34 0.01 0.00 -0.57 0.00 0.00 34.95 32.97 1uac s ARG 38 CO -0.00 0.30 -0.11 0.21 -1.08 0.00 0.00 175.30 174.62 1uac s LYS 39 N -2.13 3.08 0.86 3.89 2.20 -0.47 -0.03 119.74 127.13 1uac s LYS 39 Ca 0.08 -0.80 -0.13 0.00 -0.36 0.00 0.00 55.97 54.76 1uac s LYS 39 Cb -0.09 -2.83 0.11 0.00 -1.51 0.00 0.00 37.83 33.52 1uac s LYS 39 CO 0.05 -0.26 1.20 -0.06 -0.36 0.00 0.00 175.35 175.92 1uac s PHE 40 N 1.36 2.59 0.54 4.03 0.08 -0.62 0.36 117.98 126.32 1uac s PHE 40 Ca 0.04 0.67 0.21 0.00 0.12 0.00 0.00 56.93 57.97 1uac s PHE 40 Cb -0.14 -3.62 1.42 0.00 -0.57 0.00 0.00 43.02 40.11 1uac s PHE 40 CO -0.07 -2.05 2.14 -1.35 -0.10 0.00 0.00 175.22 173.79 1uac h PRO 41 N -1.25 0.00 -1.56 0.24 0.11 -1.89 -3.21 132.00 124.44 1uac h PRO 41 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1uac h PRO 41 Cb 1.31 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.42 1uac h PRO 41 CO 0.59 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 178.79 1uac n GLY 42 N -1.51 2.14 3.99 -0.55 0.00 -1.26 -4.63 105.19 103.36 1uac n GLY 42 Ca -0.01 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.62 1uac n GLY 42 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1uac n ASN 43 N 1.06 -3.60 -4.04 1.61 5.03 -1.21 -4.96 115.26 109.15 1uac n ASN 43 Ca 0.00 -1.20 -0.32 0.00 0.87 0.00 0.00 54.58 53.94 1uac n ASN 43 Cb 0.47 -2.25 -0.15 0.00 -1.02 0.00 0.00 39.78 36.83 1uac n ASN 43 CO 0.00 0.00 0.00 -0.60 -1.83 0.00 0.00 177.26 174.83 1uac s ARG 44 N -6.97 1.93 0.15 3.52 3.52 -1.23 -4.99 118.95 114.88 1uac s ARG 44 Ca 0.40 -1.52 -0.23 0.00 -0.13 0.00 0.00 55.73 54.25 1uac s ARG 44 Cb -0.19 -2.98 -0.08 0.00 -1.56 0.00 0.00 34.95 30.14 1uac s ARG 44 CO 0.94 -0.71 0.71 -0.51 -0.81 0.00 0.00 175.30 174.92 1uac s LEU 45 N 1.05 4.54 -0.08 -0.88 1.43 -1.26 -1.59 118.68 121.90 1uac s LEU 45 Ca -0.02 1.50 0.02 0.00 -1.03 0.00 0.00 54.13 54.61 1uac s LEU 45 Cb -0.20 -3.22 0.01 0.00 0.03 0.00 0.00 46.19 42.82 1uac s LEU 45 CO -0.06 0.20 -0.12 -0.70 0.23 0.00 0.00 176.35 175.90 1uac s GLU 46 N -1.25 1.76 -0.38 1.70 2.12 0.96 -4.99 118.70 118.61 1uac s GLU 46 Ca 0.35 -0.42 -0.29 0.00 0.36 0.00 0.00 54.97 54.97 1uac s GLU 46 Cb -0.21 -1.49 0.02 0.00 0.26 0.00 0.00 34.13 32.71 1uac s GLU 46 CO 0.23 -0.01 1.08 -0.47 -0.54 0.00 0.00 175.26 175.56 1uac s TYR 47 N 0.81 3.02 -0.00 5.30 6.14 -1.26 -0.90 117.35 130.46 1uac s TYR 47 Ca -0.12 0.97 -0.14 0.00 0.64 0.00 0.00 57.07 58.42 1uac s TYR 47 Cb -0.15 -3.96 -0.34 0.00 0.42 0.00 0.00 41.96 37.92 1uac s TYR 47 CO 0.02 -0.96 0.87 0.52 0.64 0.00 0.00 175.55 176.64 1uac h MET 48 N 8.55 0.49 0.00 4.97 2.86 -0.99 -3.41 114.93 127.40 1uac h MET 48 Ca -0.22 -0.84 0.00 0.00 -2.06 0.00 0.00 59.70 56.59 1uac h MET 48 Cb 1.06 0.31 0.00 0.00 0.06 0.00 0.00 31.60 33.03 1uac h MET 48 CO 1.06 1.40 0.00 0.41 1.06 0.00 0.00 176.91 180.84 1uac n GLY 49 N 1.77 0.44 3.24 8.32 0.00 -1.18 -1.06 105.19 116.72 1uac n GLY 49 Ca -0.20 -1.11 -0.13 0.00 0.00 0.00 0.00 46.02 44.58 1uac n GLY 49 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1uac s TYR 50 N -2.00 1.21 -0.04 1.61 1.13 -0.40 -1.32 117.35 117.55 1uac s TYR 50 Ca 0.00 -1.39 0.03 0.00 -1.41 0.00 0.00 57.07 54.30 1uac s TYR 50 Cb 0.00 -0.54 0.00 0.00 -1.10 0.00 0.00 41.96 40.33 1uac s TYR 50 CO 0.00 -0.70 -0.11 0.08 -2.51 0.00 0.00 175.55 172.30 1uac s VAL 51 N -4.03 0.99 0.36 -3.49 1.01 -0.28 -1.27 120.40 113.69 1uac s VAL 51 Ca 0.38 -0.46 -0.02 0.00 0.00 0.00 0.00 61.98 61.88 1uac s VAL 51 Cb 0.06 -0.88 0.07 0.00 0.00 0.00 0.00 36.38 35.64 1uac s VAL 51 CO 0.14 0.30 0.49 -1.20 0.00 0.00 0.00 175.10 174.84 1uac n SER 52 N 3.34 0.49 -0.22 3.32 7.64 -0.22 -0.45 113.62 127.53 1uac n SER 52 Ca -0.19 -1.46 0.02 0.00 1.01 0.00 0.00 58.87 58.25 1uac n SER 52 Cb 0.53 -0.34 0.13 0.00 -1.01 0.00 0.00 64.21 63.53 1uac n SER 52 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 1uac h SER 53 N -0.39 0.07 -0.68 6.43 4.64 -1.89 -2.45 113.55 119.29 1uac h SER 53 Ca -0.16 0.11 -0.21 0.00 -0.47 0.00 0.00 61.79 61.06 1uac h SER 53 Cb 0.56 0.14 -0.13 0.00 -0.31 0.00 0.00 62.40 62.66 1uac h SER 53 CO 0.16 0.03 0.24 0.49 -0.87 0.00 0.00 176.83 176.88 1uac n PHE 54 N -5.10 2.24 -0.53 4.77 3.01 -1.26 -4.76 117.46 115.83 1uac n PHE 54 Ca 0.10 -1.25 0.00 0.00 1.01 0.00 0.00 57.45 57.32 1uac n PHE 54 Cb 0.35 -0.65 0.00 0.00 -0.01 0.00 0.00 39.48 39.17 1uac n PHE 54 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1uac n GLY 55 N -0.34 0.75 3.75 1.37 0.00 -0.92 -5.02 105.19 104.78 1uac n GLY 55 Ca 0.40 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 46.01 1uac n GLY 55 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1uac s SER 56 N -2.37 7.12 0.13 1.61 0.15 -1.26 -4.79 113.70 114.30 1uac s SER 56 Ca 0.00 2.30 0.10 0.00 0.70 0.00 0.00 55.95 59.04 1uac s SER 56 Cb 0.00 -2.62 -0.04 0.00 -1.71 0.00 0.00 66.02 61.65 1uac s SER 56 CO 0.00 -0.30 -0.20 0.42 1.20 0.00 0.00 173.24 174.36 1uac s THR 57 N -0.59 2.71 -0.15 6.45 -4.23 -1.26 -1.06 115.64 117.51 1uac s THR 57 Ca 0.49 -1.62 -0.01 0.00 -1.18 0.00 0.00 61.69 59.37 1uac s THR 57 Cb -0.33 -2.25 0.04 0.00 1.34 0.00 0.00 72.50 71.30 1uac s THR 57 CO 0.40 0.06 -0.05 -0.36 -0.54 0.00 0.00 174.62 174.13 1uac s PHE 58 N -1.23 1.59 -0.03 3.99 0.40 -0.40 -4.99 117.98 117.31 1uac s PHE 58 Ca 0.18 -0.97 0.02 0.00 -0.60 0.00 0.00 56.93 55.55 1uac s PHE 58 Cb -0.10 -1.27 -0.03 0.00 0.51 0.00 0.00 43.02 42.13 1uac s PHE 58 CO 0.10 -0.58 -0.05 0.71 0.70 0.00 0.00 175.22 176.09 1uac s TYR 59 N 1.67 2.97 0.04 0.36 2.02 -1.26 -1.27 117.35 121.88 1uac s TYR 59 Ca 0.02 0.03 -0.31 0.00 -0.37 0.00 0.00 57.07 56.44 1uac s TYR 59 Cb -0.15 -1.67 -0.07 0.00 -0.40 0.00 0.00 41.96 39.67 1uac s TYR 59 CO -0.08 0.38 1.49 1.21 -1.57 0.00 0.00 175.55 176.99 1uac s ASN 60 N -1.17 6.76 0.58 2.29 3.84 -0.23 -4.91 114.94 122.10 1uac s ASN 60 Ca 0.15 2.28 0.29 0.00 0.21 0.00 0.00 52.86 55.79 1uac s ASN 60 Cb -0.11 -2.57 1.55 0.00 -0.55 0.00 0.00 41.25 39.58 1uac s ASN 60 CO 0.05 -0.77 1.86 -0.65 -2.79 0.00 0.00 177.10 174.80 1uac h PRO 61 N 7.82 0.00 0.00 0.43 0.11 -1.94 -2.09 132.00 136.32 1uac h PRO 61 Ca -0.40 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.71 1uac h PRO 61 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1uac h PRO 61 CO 0.91 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 177.57 1uac n SER 62 N -2.72 0.00 -1.39 -2.05 3.41 -1.26 -3.77 113.62 105.84 1uac n SER 62 Ca -0.02 -1.39 0.09 0.00 -0.26 0.00 0.00 58.87 57.30 1uac n SER 62 Cb 0.30 0.00 0.32 0.00 -0.26 0.00 0.00 64.21 64.57 1uac n SER 62 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1uac n LEU 63 N -0.62 4.35 -1.31 1.04 7.99 -0.79 -4.92 117.00 122.75 1uac n LEU 63 Ca 0.04 -2.34 -0.17 0.00 -0.01 0.00 0.00 56.01 53.53 1uac n LEU 63 Cb 0.02 -0.52 -0.07 0.00 -0.11 0.00 0.00 43.42 42.74 1uac n LEU 63 CO 0.03 0.83 -0.16 0.29 -1.51 0.00 0.00 177.39 176.88 1uac n LYS 64 N 1.07 -1.32 -0.75 3.23 4.76 -1.25 -2.19 118.16 121.72 1uac n LYS 64 Ca 0.24 1.10 0.00 0.00 -2.87 0.00 0.00 58.31 56.78 1uac n LYS 64 Cb 0.79 -5.38 0.00 0.00 -1.84 0.00 0.00 35.03 28.59 1uac n LYS 64 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 1uac n SER 65 N -0.97 0.00 -0.21 4.39 7.64 -1.26 -4.90 113.62 118.30 1uac n SER 65 Ca -0.17 0.00 0.02 0.00 1.01 0.00 0.00 58.87 59.73 1uac n SER 65 Cb 0.59 -0.26 0.05 0.00 -1.01 0.00 0.00 64.21 63.58 1uac n SER 65 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1uac n ARG 66 N -2.00 1.26 -4.24 1.43 1.74 -0.93 -4.89 116.66 109.02 1uac n ARG 66 Ca 0.00 -0.39 -0.27 0.00 -0.77 0.00 0.00 57.85 56.41 1uac n ARG 66 Cb 0.00 -1.09 -0.09 0.00 -1.02 0.00 0.00 32.46 30.26 1uac n ARG 66 CO 0.00 0.00 0.00 -1.50 -1.52 0.00 0.00 177.63 174.61 1uac s ILE 67 N -1.85 3.47 -0.12 0.55 2.07 -1.26 -0.06 121.20 124.00 1uac s ILE 67 Ca 0.07 -1.49 -0.11 0.00 -1.41 0.00 0.00 60.65 57.71 1uac s ILE 67 Cb 0.04 -2.72 0.03 0.00 0.13 0.00 0.00 42.46 39.94 1uac s ILE 67 CO 0.05 -0.08 0.33 -0.55 -1.91 0.00 0.00 174.94 172.78 1uac s SER 68 N -2.79 -0.35 -0.19 4.50 0.15 -0.86 -5.00 113.70 109.15 1uac s SER 68 Ca 0.26 0.67 -0.02 0.00 0.70 0.00 0.00 55.95 57.55 1uac s SER 68 Cb -0.09 0.67 0.06 0.00 -1.71 0.00 0.00 66.02 64.94 1uac s SER 68 CO 0.17 -0.12 0.02 -0.63 1.20 0.00 0.00 173.24 173.87 1uac s ILE 69 N 0.25 0.70 0.56 6.45 1.01 -1.26 -1.48 121.20 127.43 1uac s ILE 69 Ca -0.01 -0.63 0.05 0.00 0.00 0.00 0.00 60.65 60.06 1uac s ILE 69 Cb -0.03 -1.14 0.04 0.00 0.01 0.00 0.00 42.46 41.35 1uac s ILE 69 CO -0.00 -0.15 0.39 0.28 0.00 0.00 0.00 174.94 175.45 1uac s THR 70 N 1.78 1.52 0.14 2.92 -1.32 -1.13 -4.96 115.64 114.60 1uac s THR 70 Ca -0.01 -1.53 -0.20 0.00 -1.21 0.00 0.00 61.69 58.74 1uac s THR 70 Cb -0.17 -2.05 0.06 0.00 -1.51 0.00 0.00 72.50 68.83 1uac s THR 70 CO -0.08 0.00 0.52 0.00 -2.21 0.00 0.00 174.62 172.86 1uac s ARG 71 N -4.28 1.19 -0.33 7.08 1.70 -1.26 -1.39 118.95 121.67 1uac s ARG 71 Ca 0.31 -0.55 0.03 0.00 -0.47 0.00 0.00 55.73 55.04 1uac s ARG 71 Cb -0.02 0.54 0.10 0.00 -0.57 0.00 0.00 34.95 35.00 1uac s ARG 71 CO 0.19 -0.50 0.05 0.34 -1.08 0.00 0.00 175.30 174.30 1uac s ASP 72 N -2.74 4.54 0.32 -2.89 -1.08 -0.31 -4.97 116.67 109.53 1uac s ASP 72 Ca 0.02 -1.97 0.01 0.00 -0.52 0.00 0.00 52.55 50.09 1uac s ASP 72 Cb 0.00 -1.42 0.52 0.00 -1.46 0.00 0.00 42.92 40.56 1uac s ASP 72 CO -0.12 -0.38 1.89 0.74 0.52 0.00 0.00 175.17 177.83 1uac h THR 73 N 6.59 1.20 0.00 1.71 2.02 -1.97 -1.33 112.91 121.12 1uac h THR 73 Ca -0.07 -0.65 -0.05 0.00 0.77 0.00 0.00 66.41 66.42 1uac h THR 73 Cb 1.02 0.61 -0.01 0.00 -1.74 0.00 0.00 68.15 68.03 1uac h THR 73 CO 0.50 0.25 -0.22 0.77 0.37 0.00 0.00 175.52 177.19 1uac h SER 74 N 0.74 0.00 0.06 4.18 4.64 -1.94 -2.08 113.55 119.15 1uac h SER 74 Ca 0.18 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.50 1uac h SER 74 Cb 0.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.27 1uac h SER 74 CO -0.01 0.22 -0.28 0.29 -0.87 0.00 0.00 176.83 176.17 1uac n LYS 75 N -4.08 1.33 -3.56 4.77 5.02 -0.71 -4.94 118.16 115.99 1uac n LYS 75 Ca -0.02 -0.99 -0.26 0.00 -2.02 0.00 0.00 58.31 55.01 1uac n LYS 75 Cb 0.29 -1.48 0.03 0.00 -0.02 0.00 0.00 35.03 33.85 1uac n LYS 75 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1uac n ASN 76 N 0.03 -5.17 -4.43 4.39 5.15 -0.58 -4.81 115.26 109.83 1uac n ASN 76 Ca 0.12 -0.55 -0.27 0.00 -0.60 0.00 0.00 54.58 53.28 1uac n ASN 76 Cb 0.44 -4.15 -0.11 0.00 -0.53 0.00 0.00 39.78 35.43 1uac n ASN 76 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 1uac s GLN 77 N -6.25 1.55 0.05 1.20 -0.21 -1.00 -1.03 119.66 113.97 1uac s GLN 77 Ca 0.52 -1.54 -0.05 0.00 0.02 0.00 0.00 55.36 54.31 1uac s GLN 77 Cb -0.25 -1.85 -0.02 0.00 1.00 0.00 0.00 33.01 31.89 1uac s GLN 77 CO 0.65 0.39 0.09 1.52 -2.12 0.00 0.00 175.29 175.82 1uac s TYR 78 N -1.75 0.26 0.07 0.91 1.13 -0.08 -1.16 117.35 116.73 1uac s TYR 78 Ca 0.22 -0.64 0.03 0.00 -1.41 0.00 0.00 57.07 55.27 1uac s TYR 78 Cb -0.08 -0.18 -0.03 0.00 -1.10 0.00 0.00 41.96 40.57 1uac s TYR 78 CO 0.10 -0.40 -0.10 0.71 -2.51 0.00 0.00 175.55 173.35 1uac s TYR 79 N -3.13 0.96 -0.14 -3.49 2.02 -0.48 0.31 117.35 113.40 1uac s TYR 79 Ca -0.01 -0.57 0.02 0.00 -0.37 0.00 0.00 57.07 56.14 1uac s TYR 79 Cb 0.02 -0.54 0.00 0.00 -0.40 0.00 0.00 41.96 41.04 1uac s TYR 79 CO -0.07 -0.02 -0.19 -1.17 -1.57 0.00 0.00 175.55 172.53 1uac s LEU 80 N -2.02 2.30 -0.16 -1.29 2.96 -0.26 -2.84 118.68 117.37 1uac s LEU 80 Ca -0.01 -0.52 0.00 0.00 -0.22 0.00 0.00 54.13 53.38 1uac s LEU 80 Cb -0.07 -1.50 0.03 0.00 0.50 0.00 0.00 46.19 45.15 1uac s LEU 80 CO 0.00 0.10 -0.13 -1.81 -1.32 0.00 0.00 176.35 173.20 1uac s ASP 81 N 0.69 2.86 -0.36 3.68 1.01 -0.55 -1.17 116.67 122.84 1uac s ASP 81 Ca -0.09 -0.59 0.02 0.00 0.71 0.00 0.00 52.55 52.60 1uac s ASP 81 Cb -0.16 -1.19 0.11 0.00 1.01 0.00 0.00 42.92 42.69 1uac s ASP 81 CO 0.01 -0.08 0.12 -0.22 0.21 0.00 0.00 175.17 175.21 1uac s LEU 82 N 1.47 3.23 0.72 1.23 2.96 -0.82 -2.03 118.68 125.44 1uac s LEU 82 Ca 0.03 -2.07 -0.15 0.00 -0.22 0.00 0.00 54.13 51.72 1uac s LEU 82 Cb -0.14 -1.18 0.04 0.00 0.50 0.00 0.00 46.19 45.41 1uac s LEU 82 CO -0.10 -0.36 1.21 0.20 -1.32 0.00 0.00 176.35 175.97 1uac s ASN 83 N 1.04 4.24 -1.23 3.68 0.01 0.91 -2.41 114.94 121.17 1uac s ASN 83 Ca 0.12 2.36 -0.14 0.00 -0.71 0.00 0.00 52.86 54.50 1uac s ASN 83 Cb -0.20 -2.59 -0.00 0.00 0.41 0.00 0.00 41.25 38.87 1uac s ASN 83 CO -0.14 -2.24 0.68 -1.20 -1.51 0.00 0.00 177.10 172.70 1uac n SER 84 N -2.67 -3.52 -4.85 -1.22 7.64 -1.25 -4.79 113.62 102.95 1uac n SER 84 Ca 0.13 -1.00 -0.32 0.00 1.01 0.00 0.00 58.87 58.69 1uac n SER 84 Cb 0.50 -3.32 -0.05 0.00 -1.01 0.00 0.00 64.21 60.33 1uac n SER 84 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 1uac s VAL 85 N -3.62 4.60 0.41 0.44 -7.23 -1.12 -4.61 120.40 109.28 1uac s VAL 85 Ca 0.30 1.06 0.04 0.00 -1.81 0.00 0.00 61.98 61.56 1uac s VAL 85 Cb -0.11 -3.67 -0.04 0.00 0.56 0.00 0.00 36.38 33.12 1uac s VAL 85 CO 0.87 -0.43 0.05 0.42 -0.31 0.00 0.00 175.10 175.70 1uac s THR 86 N -2.29 1.19 0.53 5.32 -4.23 -1.26 -0.50 115.64 114.40 1uac s THR 86 Ca 0.56 -2.00 0.25 0.00 -1.18 0.00 0.00 61.69 59.33 1uac s THR 86 Cb -0.10 -2.55 0.40 0.00 1.34 0.00 0.00 72.50 71.59 1uac s THR 86 CO 0.23 0.00 1.99 0.71 -0.54 0.00 0.00 174.62 177.02 1uac h THR 87 N 1.75 0.73 0.00 3.99 1.35 -1.96 0.15 112.91 118.93 1uac h THR 87 Ca -0.41 -0.00 -0.00 0.00 -0.55 0.00 0.00 66.41 65.45 1uac h THR 87 Cb 1.27 0.73 -0.00 0.00 -1.73 0.00 0.00 68.15 68.42 1uac h THR 87 CO 0.70 0.00 -0.00 -0.33 -0.25 0.00 0.00 175.52 175.63 1uac h GLU 88 N 0.00 0.00 -0.01 4.72 3.07 -1.96 -1.21 114.58 119.20 1uac h GLU 88 Ca 0.26 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.12 1uac h GLU 88 Cb 1.03 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.94 1uac h GLU 88 CO -0.00 0.00 -0.05 -0.25 -1.40 0.00 0.00 179.01 177.31 1uac n ASP 89 N -3.12 0.78 -4.55 1.42 8.00 0.53 -4.83 116.55 114.79 1uac n ASP 89 Ca -0.02 -1.07 -0.47 0.00 0.71 0.00 0.00 54.79 53.94 1uac n ASP 89 Cb 0.11 -0.01 -0.05 0.00 -0.02 0.00 0.00 41.12 41.15 1uac n ASP 89 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 1uac n THR 90 N -0.51 0.31 -3.84 -3.53 -1.04 -0.46 -4.81 114.28 100.41 1uac n THR 90 Ca 0.19 -0.34 -0.07 0.00 -2.04 0.00 0.00 64.05 61.79 1uac n THR 90 Cb 0.27 -2.12 -0.01 0.00 -1.82 0.00 0.00 70.33 66.64 1uac n THR 90 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1uac s ALA 91 N 7.42 -1.23 -0.31 2.41 0.00 -1.16 -4.62 121.76 124.26 1uac s ALA 91 Ca 1.03 -0.30 -0.16 0.00 0.00 0.00 0.00 51.96 52.53 1uac s ALA 91 Cb -0.58 0.80 -0.02 0.00 0.00 0.00 0.00 23.12 23.32 1uac s ALA 91 CO 0.43 -1.04 0.42 0.99 0.00 0.00 0.00 175.76 176.56 1uac s THR 92 N -3.62 5.12 -0.18 0.00 2.01 0.16 -1.65 115.64 117.48 1uac s THR 92 Ca 0.12 0.38 -0.11 0.00 0.31 0.00 0.00 61.69 62.39 1uac s THR 92 Cb -0.05 -3.81 -0.05 0.00 0.01 0.00 0.00 72.50 68.60 1uac s THR 92 CO 0.07 -0.02 0.19 -0.31 -0.69 0.00 0.00 174.62 173.87 1uac s TYR 93 N 2.16 3.44 -0.02 4.92 1.51 -0.21 -1.37 117.35 127.77 1uac s TYR 93 Ca 0.15 0.44 0.06 0.00 -1.01 0.00 0.00 57.07 56.72 1uac s TYR 93 Cb -0.16 -2.22 -0.02 0.00 -0.11 0.00 0.00 41.96 39.45 1uac s TYR 93 CO 0.11 0.29 -0.20 0.71 -1.11 0.00 0.00 175.55 175.34 1uac s TYR 94 N 0.35 1.83 0.28 2.71 1.51 -0.21 -0.09 117.35 123.74 1uac s TYR 94 Ca 0.12 -0.35 0.04 0.00 -1.01 0.00 0.00 57.07 55.87 1uac s TYR 94 Cb -0.12 -1.18 -0.03 0.00 -0.11 0.00 0.00 41.96 40.52 1uac s TYR 94 CO 0.00 -0.03 0.43 0.00 -1.11 0.00 0.00 175.55 174.84 1uac s ALA 96 N -2.10 -1.71 0.48 0.00 0.00 -0.97 0.19 121.76 117.64 1uac s ALA 96 Ca 0.37 0.63 -0.10 0.00 0.00 0.00 0.00 51.96 52.87 1uac s ALA 96 Cb -0.09 0.58 -0.05 0.00 0.00 0.00 0.00 23.12 23.55 1uac s ALA 96 CO 0.31 -0.81 0.84 0.54 0.00 0.00 0.00 175.76 176.65 1uac s ASN 97 N -2.66 6.41 0.45 0.00 4.22 0.36 -0.80 114.94 122.93 1uac s ASN 97 Ca 0.06 1.18 0.15 0.00 -2.14 0.00 0.00 52.86 52.11 1uac s ASN 97 Cb -0.01 -2.35 1.08 0.00 1.28 0.00 0.00 41.25 41.24 1uac s ASN 97 CO -0.06 -0.55 2.01 -0.25 -2.04 0.00 0.00 177.10 176.20 1uac h TRP 98 N 0.67 0.35 0.00 1.54 7.01 -1.20 -0.90 115.95 123.42 1uac h TRP 98 Ca -0.47 0.01 0.00 0.00 2.11 0.00 0.00 58.89 60.54 1uac h TRP 98 Cb 1.19 -0.12 0.00 0.00 -2.10 0.00 0.00 29.16 28.14 1uac h TRP 98 CO 0.61 0.18 0.00 -0.25 -2.79 0.00 0.00 178.44 176.19 1uac n ASP 99 N -4.47 0.81 0.00 2.65 8.00 -1.26 -4.91 116.55 117.38 1uac n ASP 99 Ca 0.08 0.58 0.00 0.00 0.71 0.00 0.00 54.79 56.16 1uac n ASP 99 Cb 0.34 -0.80 0.00 0.00 -0.02 0.00 0.00 41.12 40.64 1uac n ASP 99 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1uac n GLY 100 N 1.22 0.76 0.34 0.44 0.00 -0.34 -4.93 105.19 102.67 1uac n GLY 100 Ca 0.05 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.04 1uac n GLY 100 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1uac h ASP 101 N 0.00 0.97 -3.45 1.61 3.45 -1.91 -3.44 116.42 113.66 1uac h ASP 101 Ca 0.00 -0.12 -0.37 0.00 0.43 0.00 0.00 57.03 56.97 1uac h ASP 101 Cb 0.00 -0.25 -0.35 0.00 -0.56 0.00 0.00 39.33 38.17 1uac h ASP 101 CO 0.00 0.84 -0.76 -0.31 -1.57 0.00 0.00 179.24 177.44 1uac s TYR 102 N -5.57 0.45 0.10 4.55 2.02 -1.26 -5.03 117.35 112.61 1uac s TYR 102 Ca -0.11 -0.06 0.09 0.00 -0.37 0.00 0.00 57.07 56.61 1uac s TYR 102 Cb 0.16 -0.52 -0.03 0.00 -0.40 0.00 0.00 41.96 41.16 1uac s TYR 102 CO 0.82 -0.17 -0.23 -1.58 -1.57 0.00 0.00 175.55 172.82 1uac s TRP 103 N 1.16 1.96 1.26 2.71 0.52 -1.26 -0.48 118.94 124.81 1uac s TRP 103 Ca -0.08 -0.40 -0.16 0.00 0.02 0.00 0.00 56.10 55.48 1uac s TRP 103 Cb -0.14 -1.09 0.32 0.00 -1.15 0.00 0.00 33.47 31.41 1uac s TRP 103 CO -0.02 0.22 0.99 0.20 0.02 0.00 0.00 176.95 178.36 1uac s GLY 104 N -1.79 1.50 0.45 0.98 0.00 0.50 -4.57 107.32 104.39 1uac s GLY 104 Ca 0.09 -0.36 0.25 0.00 0.00 0.00 0.00 44.72 44.70 1uac s GLY 104 CO 0.04 0.47 1.70 0.06 0.00 0.00 0.00 173.10 175.37 1uac h GLN 105 N -2.94 0.00 0.00 2.90 3.07 -1.88 -3.46 115.11 112.81 1uac h GLN 105 Ca -0.57 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.17 1uac h GLN 105 Cb 1.34 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.90 1uac h GLN 105 CO 0.44 0.06 0.00 0.41 0.09 0.00 0.00 178.83 179.83 1uac n GLY 106 N 0.78 2.62 2.96 0.06 0.00 -1.26 -5.02 105.19 105.34 1uac n GLY 106 Ca 0.03 -1.74 -0.14 0.00 0.00 0.00 0.00 46.02 44.16 1uac n GLY 106 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1uac s THR 107 N -2.00 -0.27 -0.17 2.61 -1.32 0.88 -4.89 115.64 110.47 1uac s THR 107 Ca 0.00 0.27 -0.29 0.00 -1.21 0.00 0.00 61.69 60.46 1uac s THR 107 Cb 0.00 -0.37 -0.02 0.00 -1.51 0.00 0.00 72.50 70.59 1uac s THR 107 CO 0.00 0.11 1.43 -0.22 -2.21 0.00 0.00 174.62 173.74 1uac s LEU 108 N 2.07 4.11 -0.26 9.08 2.96 -1.26 -1.04 118.68 134.34 1uac s LEU 108 Ca -0.01 1.74 0.02 0.00 -0.22 0.00 0.00 54.13 55.66 1uac s LEU 108 Cb -0.12 -3.54 0.06 0.00 0.50 0.00 0.00 46.19 43.10 1uac s LEU 108 CO -0.08 -0.95 -0.08 -0.69 -1.32 0.00 0.00 176.35 173.23 1uac s VAL 109 N 4.10 1.96 -0.01 1.68 1.01 -0.66 -4.68 120.40 123.81 1uac s VAL 109 Ca 0.63 -1.54 -0.14 0.00 0.00 0.00 0.00 61.98 60.93 1uac s VAL 109 Cb -0.24 -2.14 -0.06 0.00 0.00 0.00 0.00 36.38 33.94 1uac s VAL 109 CO 0.22 -0.09 0.38 -0.89 0.00 0.00 0.00 175.10 174.73 1uac s THR 110 N 1.19 5.08 -0.08 3.92 2.01 0.24 -3.01 115.64 124.99 1uac s THR 110 Ca -0.07 0.76 0.03 0.00 0.31 0.00 0.00 61.69 62.72 1uac s THR 110 Cb -0.20 -3.68 -0.02 0.00 0.01 0.00 0.00 72.50 68.62 1uac s THR 110 CO -0.06 0.56 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.57 1uac s VAL 111 N -1.10 2.70 0.00 3.82 1.01 -1.26 -1.53 120.40 124.04 1uac s VAL 111 Ca 0.23 -0.83 0.00 0.00 0.00 0.00 0.00 61.98 61.39 1uac s VAL 111 Cb -0.16 -2.06 0.00 0.00 0.00 0.00 0.00 36.38 34.16 1uac s VAL 111 CO 0.13 0.56 0.00 -1.54 0.00 0.00 0.00 175.10 174.25 1uac n SER 112 N 2.92 0.00 -2.75 3.32 3.41 -1.20 -4.31 113.62 115.01 1uac n SER 112 Ca -0.18 -0.09 -0.00 0.00 -0.26 0.00 0.00 58.87 58.34 1uac n SER 112 Cb 0.52 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.47 1uac n SER 112 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1uac n ALA 113 N 0.00 -2.30 1.75 7.33 0.00 -1.26 -4.95 120.51 121.08 1uac n ALA 113 Ca 0.00 0.00 0.15 0.00 0.00 0.00 0.00 53.44 53.59 1uac n ALA 113 Cb 0.02 -1.26 0.74 0.00 0.00 0.00 0.00 19.45 18.96 1uac n ALA 113 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50