#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 4.54 0.38 3.15 1.01 -1.26 -0.99 120.40 127.23 1uac s VAL 2 Ca 0.00 -0.37 -0.17 0.00 0.00 0.00 0.00 61.98 61.44 1uac s VAL 2 Cb 0.00 -3.28 -0.10 0.00 0.00 0.00 0.00 36.38 33.01 1uac s VAL 2 CO 0.00 0.12 0.84 -0.31 0.00 0.00 0.00 175.10 175.76 1uac s TYR 3 N 1.61 3.36 0.63 5.22 1.51 -0.33 -5.01 117.35 124.33 1uac s TYR 3 Ca 0.05 1.39 -0.08 0.00 -1.01 0.00 0.00 57.07 57.41 1uac s TYR 3 Cb -0.17 -2.68 0.00 0.00 -0.11 0.00 0.00 41.96 39.01 1uac s TYR 3 CO 0.06 -0.03 0.98 0.20 -1.11 0.00 0.00 175.55 175.65 1uac s GLY 4 N -2.33 1.61 0.03 0.71 0.00 -1.26 -4.87 107.32 101.21 1uac s GLY 4 Ca 0.58 -0.50 -0.10 0.00 0.00 0.00 0.00 44.72 44.69 1uac s GLY 4 CO 0.17 -0.19 1.16 -0.09 0.00 0.00 0.00 173.10 174.15 1uac h ARG 5 N -0.35 -0.22 -0.89 2.90 2.43 -1.97 0.43 114.38 116.71 1uac h ARG 5 Ca -0.45 0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 58.73 1uac h ARG 5 Cb 1.25 0.05 -0.04 0.00 -0.42 0.00 0.00 29.97 30.80 1uac h ARG 5 CO 0.62 -0.15 0.53 0.00 -1.51 0.00 0.00 179.97 179.46 1uac h GLU 7 N 1.23 0.06 -0.79 0.00 4.81 -1.93 0.56 114.58 118.51 1uac h GLU 7 Ca 0.32 -0.00 0.01 0.00 -0.13 0.00 0.00 59.36 59.56 1uac h GLU 7 Cb -0.05 -0.01 -0.04 0.00 0.63 0.00 0.00 28.75 29.28 1uac h GLU 7 CO -0.06 0.04 0.52 1.25 -0.73 0.00 0.00 179.01 180.03 1uac h LEU 8 N 0.06 0.89 -1.06 1.64 5.85 -0.53 -1.34 115.31 120.82 1uac h LEU 8 Ca 0.15 -0.02 0.03 0.00 0.84 0.00 0.00 57.88 58.88 1uac h LEU 8 Cb 0.21 -0.22 -0.05 0.00 0.37 0.00 0.00 40.66 40.97 1uac h LEU 8 CO -0.27 0.64 0.63 0.00 -0.34 0.00 0.00 178.44 179.10 1uac h ALA 9 N 1.30 1.37 -0.09 1.25 0.00 0.48 -0.28 119.26 123.29 1uac h ALA 9 Ca 0.30 -0.05 -0.13 0.00 0.00 0.00 0.00 54.91 55.03 1uac h ALA 9 Cb -0.09 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.34 1uac h ALA 9 CO -0.08 0.54 -0.51 0.00 0.00 0.00 0.00 179.25 179.21 1uac h ALA 10 N 1.43 0.97 -0.21 0.00 0.00 0.62 -1.26 119.26 120.82 1uac h ALA 10 Ca 0.38 -0.48 -0.21 0.00 0.00 0.00 0.00 54.91 54.60 1uac h ALA 10 Cb -0.02 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 17.69 1uac h ALA 10 CO -0.11 0.66 -0.67 0.00 0.00 0.00 0.00 179.25 179.13 1uac h ALA 11 N 1.27 0.40 -0.45 0.00 0.00 -0.09 -2.03 119.26 118.36 1uac h ALA 11 Ca 0.01 -0.56 -0.08 0.00 0.00 0.00 0.00 54.91 54.27 1uac h ALA 11 Cb 0.96 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.69 1uac h ALA 11 CO 0.08 0.69 -0.05 0.52 0.00 0.00 0.00 179.25 180.49 1uac h MET 12 N 0.59 0.78 0.07 0.00 2.86 -0.88 -1.37 114.93 116.97 1uac h MET 12 Ca -0.02 -0.23 -0.00 0.00 -2.06 0.00 0.00 59.70 57.39 1uac h MET 12 Cb 1.29 -0.08 0.00 0.00 0.06 0.00 0.00 31.60 32.87 1uac h MET 12 CO 0.14 0.82 -0.03 -0.22 1.06 0.00 0.00 176.91 178.68 1uac h LYS 13 N 0.72 -0.09 -0.35 1.72 1.63 -1.20 -0.48 116.57 118.53 1uac h LYS 13 Ca 0.13 0.01 -0.01 0.00 -0.85 0.00 0.00 60.65 59.93 1uac h LYS 13 Cb 0.51 0.02 -0.02 0.00 -0.60 0.00 0.00 32.23 32.14 1uac h LYS 13 CO 0.03 0.04 0.18 0.07 -3.45 0.00 0.00 179.45 176.31 1uac h ARG 14 N -0.19 0.47 -0.71 1.90 0.11 -1.15 -2.53 114.38 112.28 1uac h ARG 14 Ca -0.01 -0.04 0.00 0.00 0.10 0.00 0.00 59.98 60.03 1uac h ARG 14 Cb 0.16 -0.10 0.00 0.00 1.11 0.00 0.00 29.97 31.14 1uac h ARG 14 CO 0.01 0.36 0.00 1.28 0.10 0.00 0.00 179.97 181.72 1uac n LEU 15 N -4.44 2.79 0.00 0.08 4.77 -0.54 -4.92 117.00 114.74 1uac n LEU 15 Ca 0.02 -1.41 0.00 0.00 -0.03 0.00 0.00 56.01 54.59 1uac n LEU 15 Cb 0.10 -0.50 0.00 0.00 -2.33 0.00 0.00 43.42 40.69 1uac n LEU 15 CO 0.36 0.42 0.00 0.61 -1.33 0.00 0.00 177.39 177.45 1uac n GLY 16 N 0.44 0.46 0.01 -0.72 0.00 -0.92 -4.97 105.19 99.49 1uac n GLY 16 Ca 0.12 -0.92 0.11 0.00 0.00 0.00 0.00 46.02 45.33 1uac n GLY 16 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1uac n LEU 17 N 0.00 0.69 -4.65 0.99 4.77 -0.23 -4.43 117.00 114.13 1uac n LEU 17 Ca 0.00 -0.16 -0.43 0.00 -0.03 0.00 0.00 56.01 55.39 1uac n LEU 17 Cb 0.22 -0.13 -0.02 0.00 -2.33 0.00 0.00 43.42 41.16 1uac n LEU 17 CO 0.00 0.14 1.23 -0.62 -1.33 0.00 0.00 177.39 176.82 1uac s ASP 18 N -3.27 6.73 -1.57 -1.43 2.15 -1.26 -1.87 116.67 116.16 1uac s ASP 18 Ca 0.08 1.83 0.00 0.00 0.43 0.00 0.00 52.55 54.89 1uac s ASP 18 Cb 0.16 -2.54 0.00 0.00 -0.30 0.00 0.00 42.92 40.25 1uac s ASP 18 CO 0.78 -0.92 0.00 0.59 -0.17 0.00 0.00 175.17 175.45 1uac n ASN 19 N 7.17 -5.15 -4.63 -0.34 5.03 0.14 -4.86 115.26 112.63 1uac n ASN 19 Ca 0.16 0.06 -0.43 0.00 0.87 0.00 0.00 54.58 55.24 1uac n ASN 19 Cb 0.44 -4.22 -0.03 0.00 -1.02 0.00 0.00 39.78 34.96 1uac n ASN 19 CO 0.00 0.00 0.00 -0.47 -1.83 0.00 0.00 177.26 174.96 1uac s TYR 20 N -2.84 1.99 -1.52 3.10 5.04 -0.78 -2.59 117.35 119.75 1uac s TYR 20 Ca 0.00 0.47 -0.04 0.00 -2.44 0.00 0.00 57.07 55.07 1uac s TYR 20 Cb 0.00 -3.99 0.00 0.00 0.35 0.00 0.00 41.96 38.32 1uac s TYR 20 CO 0.00 -3.21 0.47 0.54 -1.34 0.00 0.00 175.55 172.01 1uac n ARG 21 N 7.70 -4.07 -0.94 4.97 5.12 -1.26 -2.20 116.66 125.99 1uac n ARG 21 Ca 0.20 0.88 0.00 0.00 -1.93 0.00 0.00 57.85 57.00 1uac n ARG 21 Cb 0.45 -5.61 0.00 0.00 -1.16 0.00 0.00 32.46 26.14 1uac n ARG 21 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1uac n GLY 22 N -1.40 0.62 3.58 -0.13 0.00 -1.07 -5.03 105.19 101.77 1uac n GLY 22 Ca -0.13 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.49 1uac n GLY 22 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1uac s TYR 23 N -2.70 3.23 0.77 1.61 2.02 -0.93 -4.82 117.35 116.52 1uac s TYR 23 Ca 0.00 0.29 -0.15 0.00 -0.37 0.00 0.00 57.07 56.85 1uac s TYR 23 Cb 0.00 -2.67 0.04 0.00 -0.40 0.00 0.00 41.96 38.93 1uac s TYR 23 CO 0.00 -0.33 1.04 -1.13 -1.57 0.00 0.00 175.55 173.56 1uac n SER 24 N 5.43 0.61 0.08 2.29 3.41 -1.26 0.28 113.62 124.45 1uac n SER 24 Ca -0.08 0.62 0.10 0.00 -0.26 0.00 0.00 58.87 59.25 1uac n SER 24 Cb 0.50 -1.44 0.57 0.00 -0.26 0.00 0.00 64.21 63.57 1uac n SER 24 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 1uac h LEU 25 N -0.57 0.19 -2.30 1.04 6.46 -1.89 -0.48 115.31 117.77 1uac h LEU 25 Ca -0.47 -0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.29 1uac h LEU 25 Cb 1.32 -0.04 -0.00 0.00 -0.73 0.00 0.00 40.66 41.20 1uac h LEU 25 CO 0.46 0.13 0.00 1.23 -0.62 0.00 0.00 178.44 179.64 1uac h GLY 26 N 0.22 0.00 1.00 3.75 0.00 -1.90 -2.37 103.07 103.77 1uac h GLY 26 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.47 1uac h GLY 26 CO -0.03 0.00 0.19 3.43 0.00 0.00 0.00 176.54 180.13 1uac h ASN 27 N 0.00 0.33 0.20 0.19 2.35 -1.33 -0.05 115.58 117.27 1uac h ASN 27 Ca 0.00 -0.01 -0.22 0.00 -0.55 0.00 0.00 56.30 55.53 1uac h ASN 27 Cb 0.00 -0.08 0.00 0.00 0.05 0.00 0.00 38.32 38.30 1uac h ASN 27 CO -0.00 0.24 -0.87 -0.50 -1.65 0.00 0.00 177.43 174.65 1uac h TRP 28 N 0.39 0.71 -0.55 1.19 4.06 -1.59 0.56 115.95 120.71 1uac h TRP 28 Ca 0.11 -0.35 -0.06 0.00 2.06 0.00 0.00 58.89 60.64 1uac h TRP 28 Cb -0.04 -0.09 -0.02 0.00 -1.00 0.00 0.00 29.16 28.00 1uac h TRP 28 CO -0.06 1.16 0.09 0.28 -3.56 0.00 0.00 178.44 176.35 1uac h VAL 29 N 0.31 1.25 -0.01 1.49 2.07 -1.43 -1.08 116.25 118.86 1uac h VAL 29 Ca -0.07 -0.96 0.00 0.00 0.82 0.00 0.00 66.70 66.50 1uac h VAL 29 Cb 1.48 0.81 -0.01 0.00 -1.52 0.00 0.00 31.29 32.05 1uac h VAL 29 CO 0.16 0.35 -0.02 0.00 0.02 0.00 0.00 177.57 178.08 1uac h ALA 31 N 0.98 0.60 -0.71 0.00 0.00 -0.57 -2.46 119.26 117.11 1uac h ALA 31 Ca 0.01 -0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 1uac h ALA 31 Cb 0.04 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 1uac h ALA 31 CO -0.03 -0.04 0.25 0.00 0.00 0.00 0.00 179.25 179.43 1uac h ALA 32 N 1.22 1.10 -0.55 0.00 0.00 -1.08 0.36 119.26 120.32 1uac h ALA 32 Ca 0.19 -0.20 0.06 0.00 0.00 0.00 0.00 54.91 54.97 1uac h ALA 32 Cb 0.03 -0.28 -0.06 0.00 0.00 0.00 0.00 17.79 17.49 1uac h ALA 32 CO -0.10 0.62 0.24 -0.22 0.00 0.00 0.00 179.25 179.80 1uac h LYS 33 N 1.03 0.44 0.00 0.00 3.11 -0.91 0.20 116.57 120.45 1uac h LYS 33 Ca 0.23 -0.03 0.00 0.00 -2.81 0.00 0.00 60.65 58.05 1uac h LYS 33 Cb 0.25 -0.10 0.00 0.00 -1.00 0.00 0.00 32.23 31.38 1uac h LYS 33 CO -0.01 0.29 -1.01 1.19 -2.81 0.00 0.00 179.45 177.10 1uac n PHE 34 N -4.94 0.76 -0.04 1.91 3.72 -0.81 -0.68 117.46 117.39 1uac n PHE 34 Ca 0.06 0.22 -0.14 0.00 -0.05 0.00 0.00 57.45 57.55 1uac n PHE 34 Cb 0.19 -0.82 -0.12 0.00 -0.94 0.00 0.00 39.48 37.80 1uac n PHE 34 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 1uac h GLU 35 N 0.00 -0.00 0.00 -1.08 4.39 -0.06 -3.43 114.58 114.40 1uac h GLU 35 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1uac h GLU 35 Cb 0.93 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.58 1uac h GLU 35 CO 0.00 0.76 0.00 -1.13 -1.16 0.00 0.00 179.01 177.48 1uac n SER 36 N -4.73 0.23 -2.59 1.42 3.41 0.63 -4.84 113.62 107.15 1uac n SER 36 Ca -0.09 -1.11 -0.18 0.00 -0.26 0.00 0.00 58.87 57.23 1uac n SER 36 Cb 0.37 0.00 -0.00 0.00 -0.26 0.00 0.00 64.21 64.32 1uac n SER 36 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1uac n ASN 37 N -0.05 -4.96 -1.83 4.04 4.05 0.15 -2.16 115.26 114.49 1uac n ASN 37 Ca 0.00 -0.01 -0.14 0.00 0.45 0.00 0.00 54.58 54.88 1uac n ASN 37 Cb 0.44 -4.13 0.01 0.00 1.23 0.00 0.00 39.78 37.32 1uac n ASN 37 CO 0.00 0.00 0.00 0.49 -3.05 0.00 0.00 177.26 174.70 1uac n PHE 38 N -3.83 -1.00 -4.23 1.20 3.72 -1.16 -4.84 117.46 107.32 1uac n PHE 38 Ca -0.17 0.18 -0.34 0.00 -0.05 0.00 0.00 57.45 57.08 1uac n PHE 38 Cb 0.64 -3.15 -0.14 0.00 -0.94 0.00 0.00 39.48 35.89 1uac n PHE 38 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 1uac s ASN 39 N -2.61 4.03 0.00 4.37 3.84 -0.92 -1.19 114.94 122.46 1uac s ASN 39 Ca 0.11 -0.41 0.27 0.00 0.21 0.00 0.00 52.86 53.04 1uac s ASN 39 Cb -0.05 -1.66 1.38 0.00 -0.55 0.00 0.00 41.25 40.38 1uac s ASN 39 CO 0.13 0.05 1.92 0.35 -2.79 0.00 0.00 177.10 176.76 1uac n THR 40 N 4.34 0.12 0.67 -5.21 -2.24 -0.16 -3.07 114.28 108.73 1uac n THR 40 Ca -0.19 0.03 0.08 0.00 -2.27 0.00 0.00 64.05 61.70 1uac n THR 40 Cb 0.51 -0.59 0.03 0.00 -2.10 0.00 0.00 70.33 68.19 1uac n THR 40 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1uac n HIS 41 N -1.26 0.00 -1.60 4.78 8.25 -1.26 -4.33 115.22 119.80 1uac n HIS 41 Ca 0.13 0.00 -0.57 0.00 -0.26 0.00 0.00 57.72 57.03 1uac n HIS 41 Cb 0.20 0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.24 1uac n HIS 41 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1uac n ALA 42 N 0.36 -1.75 -2.73 -1.41 0.00 -1.17 -4.80 120.51 109.02 1uac n ALA 42 Ca 0.08 0.52 -0.13 0.00 0.00 0.00 0.00 53.44 53.91 1uac n ALA 42 Cb 0.36 -1.98 -0.11 0.00 0.00 0.00 0.00 19.45 17.72 1uac n ALA 42 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1uac s THR 43 N 1.04 0.62 -0.22 0.00 -4.23 -1.26 -0.24 115.64 111.36 1uac s THR 43 Ca 0.91 -1.25 -0.04 0.00 -1.18 0.00 0.00 61.69 60.12 1uac s THR 43 Cb -1.13 -0.84 0.11 0.00 1.34 0.00 0.00 72.50 71.99 1uac s THR 43 CO 0.56 -0.46 0.38 0.20 -0.54 0.00 0.00 174.62 174.77 1uac s ASN 44 N -1.86 0.10 0.42 3.99 0.01 -0.35 -4.92 114.94 112.34 1uac s ASN 44 Ca -0.05 0.49 -0.12 0.00 -0.71 0.00 0.00 52.86 52.47 1uac s ASN 44 Cb -0.07 1.15 -0.07 0.00 0.41 0.00 0.00 41.25 42.67 1uac s ASN 44 CO -0.00 -0.27 0.82 -0.60 -1.51 0.00 0.00 177.10 175.53 1uac s ARG 45 N 2.56 3.84 0.11 -0.60 3.52 -1.26 -1.64 118.95 125.47 1uac s ARG 45 Ca 0.07 0.60 0.08 0.00 -0.13 0.00 0.00 55.73 56.35 1uac s ARG 45 Cb -0.14 -2.33 -0.04 0.00 -1.56 0.00 0.00 34.95 30.88 1uac s ARG 45 CO -0.14 -0.08 -0.20 -0.80 -0.81 0.00 0.00 175.30 173.28 1uac s ASN 46 N -3.06 2.43 0.41 -2.12 0.01 0.04 -4.96 114.94 107.69 1uac s ASN 46 Ca 0.53 -0.70 0.26 0.00 -0.71 0.00 0.00 52.86 52.24 1uac s ASN 46 Cb -0.10 -0.13 1.38 0.00 0.41 0.00 0.00 41.25 42.81 1uac s ASN 46 CO 0.30 0.02 1.61 0.00 -1.51 0.00 0.00 177.10 177.52 1uac h THR 47 N 3.99 0.09 0.00 1.60 1.03 -1.97 0.36 112.91 118.02 1uac h THR 47 Ca -0.45 -0.03 0.00 0.00 -0.01 0.00 0.00 66.41 65.92 1uac h THR 47 Cb 1.18 0.01 0.00 0.00 -1.07 0.00 0.00 68.15 68.27 1uac h THR 47 CO 0.41 0.01 0.00 -0.90 -0.01 0.00 0.00 175.52 175.04 1uac n ASP 48 N -4.90 0.00 0.00 0.00 5.75 -1.26 -4.83 116.55 111.31 1uac n ASP 48 Ca 0.37 -1.65 0.00 0.00 -0.01 0.00 0.00 54.79 53.51 1uac n ASP 48 Cb 1.36 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 41.45 1uac n ASP 48 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1uac n GLY 49 N 0.41 1.90 3.92 6.12 0.00 0.13 -4.74 105.19 112.93 1uac n GLY 49 Ca 0.02 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.76 1uac n GLY 49 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1uac s SER 50 N -2.31 3.92 -0.06 1.61 1.04 -1.24 -4.62 113.70 112.03 1uac s SER 50 Ca 0.00 0.44 -0.04 0.00 0.48 0.00 0.00 55.95 56.82 1uac s SER 50 Cb 0.00 -0.74 0.03 0.00 0.10 0.00 0.00 66.02 65.40 1uac s SER 50 CO 0.00 -2.23 0.16 -0.89 0.98 0.00 0.00 173.24 171.26 1uac s THR 51 N -3.65 -0.02 0.10 2.02 2.01 -1.26 -0.78 115.64 114.06 1uac s THR 51 Ca 0.67 0.07 -0.26 0.00 0.31 0.00 0.00 61.69 62.49 1uac s THR 51 Cb -0.07 -0.24 -0.06 0.00 0.01 0.00 0.00 72.50 72.13 1uac s THR 51 CO 0.50 0.03 0.80 -1.81 -0.69 0.00 0.00 174.62 173.45 1uac s ASP 52 N 0.55 7.31 -0.05 3.53 1.01 -0.65 -1.85 116.67 126.51 1uac s ASP 52 Ca -0.04 1.56 0.03 0.00 0.71 0.00 0.00 52.55 54.81 1uac s ASP 52 Cb -0.05 -2.50 0.01 0.00 1.01 0.00 0.00 42.92 41.39 1uac s ASP 52 CO -0.03 0.07 -0.12 -0.31 0.21 0.00 0.00 175.17 174.99 1uac s TYR 53 N -0.42 1.36 0.00 4.23 1.51 0.39 -1.21 117.35 123.20 1uac s TYR 53 Ca 0.39 -0.44 0.00 0.00 -1.01 0.00 0.00 57.07 56.00 1uac s TYR 53 Cb -0.22 -0.98 0.00 0.00 -0.11 0.00 0.00 41.96 40.65 1uac s TYR 53 CO 0.25 -0.21 0.00 0.41 -1.11 0.00 0.00 175.55 174.89 1uac n GLY 54 N 3.57 -1.79 0.16 0.71 0.00 0.67 -1.37 105.19 107.13 1uac n GLY 54 Ca -0.21 -1.80 0.01 0.00 0.00 0.00 0.00 46.02 44.01 1uac n GLY 54 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1uac h ILE 55 N 0.00 1.33 -0.26 -0.61 2.10 -1.77 -1.90 117.51 116.40 1uac h ILE 55 Ca 0.00 -1.82 -0.02 0.00 1.08 0.00 0.00 64.86 64.11 1uac h ILE 55 Cb 0.00 1.99 -0.01 0.00 -1.09 0.00 0.00 36.82 37.71 1uac h ILE 55 CO 0.00 0.51 -0.00 0.18 -1.08 0.00 0.00 178.15 177.76 1uac n LEU 56 N -3.85 3.85 -3.94 2.19 4.77 -1.26 -4.01 117.00 114.74 1uac n LEU 56 Ca -0.01 -3.08 -0.27 0.00 -0.03 0.00 0.00 56.01 52.62 1uac n LEU 56 Cb 0.54 -0.55 -0.02 0.00 -2.33 0.00 0.00 43.42 41.07 1uac n LEU 56 CO 0.40 0.72 -0.23 0.00 -1.33 0.00 0.00 177.39 176.96 1uac n GLN 57 N -0.61 -2.89 -2.84 3.23 1.13 -0.72 -4.89 117.38 109.79 1uac n GLN 57 Ca 0.22 0.39 -0.41 0.00 -1.94 0.00 0.00 57.00 55.26 1uac n GLN 57 Cb 0.90 -4.39 -0.04 0.00 0.11 0.00 0.00 30.24 26.82 1uac n GLN 57 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1uac s ILE 58 N -3.92 4.85 0.15 5.09 1.01 -0.47 -4.23 121.20 123.68 1uac s ILE 58 Ca 0.06 1.84 -0.27 0.00 0.00 0.00 0.00 60.65 62.29 1uac s ILE 58 Cb -0.03 -4.22 -0.08 0.00 0.01 0.00 0.00 42.46 38.15 1uac s ILE 58 CO 0.89 0.23 0.82 0.21 0.00 0.00 0.00 174.94 177.10 1uac s ASN 59 N 0.67 7.42 0.00 3.58 3.84 -1.26 -0.46 114.94 128.72 1uac s ASN 59 Ca 0.46 1.68 0.28 0.00 0.21 0.00 0.00 52.86 55.48 1uac s ASN 59 Cb -0.20 -2.52 1.00 0.00 -0.55 0.00 0.00 41.25 38.98 1uac s ASN 59 CO 0.25 0.14 1.72 -1.54 -2.79 0.00 0.00 177.10 174.88 1uac n SER 60 N 1.90 0.97 0.07 -4.21 3.41 -0.77 -0.76 113.62 114.22 1uac n SER 60 Ca -0.04 -0.98 -0.12 0.00 -0.26 0.00 0.00 58.87 57.47 1uac n SER 60 Cb 0.49 0.04 -0.08 0.00 -0.26 0.00 0.00 64.21 64.39 1uac n SER 60 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 1uac h ARG 61 N 1.29 -0.21 0.03 4.33 2.43 -1.86 -3.38 114.38 117.01 1uac h ARG 61 Ca 0.00 0.01 -0.39 0.00 -0.81 0.00 0.00 59.98 58.80 1uac h ARG 61 Cb 0.44 0.05 -0.06 0.00 -0.42 0.00 0.00 29.97 29.99 1uac h ARG 61 CO 0.00 0.18 -2.34 0.91 -1.51 0.00 0.00 179.97 177.21 1uac n TRP 62 N -4.98 0.31 -0.03 2.20 7.02 -1.23 0.65 117.44 121.36 1uac n TRP 62 Ca -0.09 0.07 0.05 0.00 -1.02 0.00 0.00 57.50 56.52 1uac n TRP 62 Cb 0.26 -1.04 -0.16 0.00 -2.42 0.00 0.00 31.31 27.95 1uac n TRP 62 CO 0.00 0.00 0.00 0.91 -2.02 0.00 0.00 177.69 176.58 1uac n TRP 63 N -3.49 0.00 -3.91 -5.99 7.02 0.06 0.41 117.44 111.53 1uac n TRP 63 Ca -0.44 0.00 -0.08 0.00 -1.02 0.00 0.00 57.50 55.96 1uac n TRP 63 Cb 0.98 -0.60 -0.08 0.00 -2.42 0.00 0.00 31.31 29.19 1uac n TRP 63 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1uac s ASN 65 N -2.88 6.35 0.00 0.00 3.84 -0.60 -4.43 114.94 117.23 1uac s ASN 65 Ca 0.05 0.18 0.07 0.00 0.21 0.00 0.00 52.86 53.37 1uac s ASN 65 Cb 0.06 -2.27 0.15 0.00 -0.55 0.00 0.00 41.25 38.63 1uac s ASN 65 CO -0.11 -0.41 1.03 -0.90 -2.79 0.00 0.00 177.10 173.92 1uac n ASP 66 N 5.67 2.27 0.00 -4.21 5.68 -1.26 -0.91 116.55 123.80 1uac n ASP 66 Ca -0.05 -1.79 0.00 0.00 -0.50 0.00 0.00 54.79 52.46 1uac n ASP 66 Cb 0.49 -0.10 0.00 0.00 -1.14 0.00 0.00 41.12 40.37 1uac n ASP 66 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1uac n GLY 67 N 0.20 1.91 0.00 6.12 0.00 -1.26 -4.79 105.19 107.38 1uac n GLY 67 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 1uac n GLY 67 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1uac n ARG 68 N -2.00 0.00 -3.76 1.61 0.00 -1.26 -5.05 116.66 106.20 1uac n ARG 68 Ca 0.00 -0.41 -0.37 0.00 -0.00 0.00 0.00 57.85 57.07 1uac n ARG 68 Cb 0.00 -0.46 -0.13 0.00 -0.00 0.00 0.00 32.46 31.87 1uac n ARG 68 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.63 178.62 1uac s THR 69 N 0.00 3.96 -0.21 8.89 2.01 -1.26 -4.89 115.64 124.15 1uac s THR 69 Ca 0.00 -0.68 -0.41 0.00 0.31 0.00 0.00 61.69 60.91 1uac s THR 69 Cb 0.00 -3.04 -0.18 0.00 0.01 0.00 0.00 72.50 69.30 1uac s THR 69 CO 0.00 0.09 1.51 -2.65 -0.69 0.00 0.00 174.62 172.88 1uac n PRO 70 N 4.87 0.69 -2.27 4.92 -0.01 -1.26 -1.96 135.00 139.97 1uac n PRO 70 Ca -0.15 0.25 -0.15 0.00 -0.01 0.00 0.00 63.50 63.45 1uac n PRO 70 Cb 0.48 -1.85 -0.01 0.00 -0.01 0.00 0.00 33.50 32.11 1uac n PRO 70 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 175.50 175.90 1uac n GLY 71 N 3.35 -0.22 3.64 -1.23 0.00 -1.26 -4.91 105.19 104.55 1uac n GLY 71 Ca 0.25 -0.27 -0.57 0.00 0.00 0.00 0.00 46.02 45.42 1uac n GLY 71 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1uac n SER 72 N -0.79 1.56 0.07 1.61 2.88 -0.83 -4.87 113.62 113.25 1uac n SER 72 Ca -0.17 1.12 -0.21 0.00 -1.33 0.00 0.00 58.87 58.27 1uac n SER 72 Cb 0.63 -1.09 -0.15 0.00 -0.75 0.00 0.00 64.21 62.86 1uac n SER 72 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 1uac h LYS 73 N 5.24 0.35 -5.79 -1.46 6.56 0.03 -3.49 116.57 118.01 1uac h LYS 73 Ca -0.47 -0.60 -0.34 0.00 -1.06 0.00 0.00 60.65 58.18 1uac h LYS 73 Cb 1.35 0.22 0.14 0.00 -0.57 0.00 0.00 32.23 33.37 1uac h LYS 73 CO 0.84 1.26 -0.86 -1.71 -2.06 0.00 0.00 179.45 176.92 1uac n ASN 74 N -3.55 -4.45 0.20 0.86 4.05 -0.45 -4.90 115.26 107.02 1uac n ASN 74 Ca -0.23 -0.79 0.04 0.00 0.45 0.00 0.00 54.58 54.05 1uac n ASN 74 Cb 1.07 -4.55 0.40 0.00 1.23 0.00 0.00 39.78 37.93 1uac n ASN 74 CO 0.00 0.00 0.00 -0.07 -3.05 0.00 0.00 177.26 174.14 1uac h LEU 75 N -1.56 0.00 -0.57 1.20 4.07 0.10 -0.91 115.31 117.64 1uac h LEU 75 Ca -0.62 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.34 1uac h LEU 75 Cb 1.34 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.08 1uac h LEU 75 CO 0.49 0.34 -0.03 0.00 -1.08 0.00 0.00 178.44 178.15 1uac n ASN 77 N -0.36 -4.06 -3.99 0.00 3.02 -0.35 -4.99 115.26 104.54 1uac n ASN 77 Ca 0.19 -0.68 -0.09 0.00 -0.03 0.00 0.00 54.58 53.98 1uac n ASN 77 Cb 0.28 -4.55 -0.10 0.00 -0.61 0.00 0.00 39.78 34.80 1uac n ASN 77 CO 0.00 0.00 0.00 0.27 -2.62 0.00 0.00 177.26 174.91 1uac s ILE 78 N -3.39 0.15 0.20 2.41 -4.36 -1.26 -5.06 121.20 109.88 1uac s ILE 78 Ca 0.38 -1.21 -0.30 0.00 -0.26 0.00 0.00 60.65 59.26 1uac s ILE 78 Cb -0.18 -0.83 -0.09 0.00 1.25 0.00 0.00 42.46 42.61 1uac s ILE 78 CO 0.77 -0.67 1.35 -2.16 0.24 0.00 0.00 174.94 174.47 1uac s PRO 79 N -2.54 4.36 0.57 0.37 0.04 -1.26 -1.56 135.00 134.98 1uac s PRO 79 Ca -0.06 2.11 0.27 0.00 0.04 0.00 0.00 61.00 63.36 1uac s PRO 79 Cb -0.02 -3.18 1.64 0.00 0.04 0.00 0.00 34.50 32.98 1uac s PRO 79 CO -0.05 -0.31 2.16 0.00 0.04 0.00 0.00 177.00 178.84 1uac h SER 81 N 0.00 0.00 1.13 0.00 4.64 -1.91 -2.01 113.55 115.41 1uac h SER 81 Ca 0.05 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 1uac h SER 81 Cb 0.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.36 1uac h SER 81 CO -0.00 0.04 0.00 0.00 -0.87 0.00 0.00 176.83 176.00 1uac h ALA 82 N 1.96 1.00 -0.04 5.18 0.00 -1.37 -2.13 119.26 123.87 1uac h ALA 82 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1uac h ALA 82 Cb 0.12 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1uac h ALA 82 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.53 1uac n LEU 83 N -3.04 0.43 -0.67 0.00 4.32 -0.75 -3.54 117.00 113.75 1uac n LEU 83 Ca 0.01 -0.17 0.07 0.00 -0.02 0.00 0.00 56.01 55.89 1uac n LEU 83 Cb 0.33 -0.02 0.13 0.00 -1.62 0.00 0.00 43.42 42.24 1uac n LEU 83 CO 0.28 0.09 0.57 0.18 -1.22 0.00 0.00 177.39 177.29 1uac n LEU 84 N -0.52 2.69 -4.64 2.23 4.77 -0.80 -4.31 117.00 116.41 1uac n LEU 84 Ca 0.16 -1.58 -0.34 0.00 -0.03 0.00 0.00 56.01 54.22 1uac n LEU 84 Cb 0.14 -0.16 0.12 0.00 -2.33 0.00 0.00 43.42 41.19 1uac n LEU 84 CO 0.12 0.61 0.61 -0.24 -1.33 0.00 0.00 177.39 177.16 1uac n SER 85 N 0.73 0.50 0.12 -1.43 2.88 -1.23 -4.59 113.62 110.60 1uac n SER 85 Ca 0.11 0.57 0.03 0.00 -1.33 0.00 0.00 58.87 58.25 1uac n SER 85 Cb 0.41 -1.45 0.01 0.00 -0.75 0.00 0.00 64.21 62.43 1uac n SER 85 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 1uac h SER 86 N -0.90 0.00 -3.43 -3.46 4.64 -1.93 -3.42 113.55 105.05 1uac h SER 86 Ca -0.46 0.00 -0.59 0.00 -0.47 0.00 0.00 61.79 60.27 1uac h SER 86 Cb 1.30 0.00 -0.10 0.00 -0.31 0.00 0.00 62.40 63.30 1uac h SER 86 CO 0.44 0.44 0.01 -0.62 -0.87 0.00 0.00 176.83 176.24 1uac s ASP 87 N -6.21 6.63 -0.02 4.97 -1.08 -1.26 -4.94 116.67 114.76 1uac s ASP 87 Ca 0.02 0.77 0.11 0.00 -0.52 0.00 0.00 52.55 52.93 1uac s ASP 87 Cb 0.08 -2.32 0.36 0.00 -1.46 0.00 0.00 42.92 39.58 1uac s ASP 87 CO 0.76 -0.19 1.26 2.30 0.52 0.00 0.00 175.17 179.82 1uac n ILE 88 N 4.49 0.70 -0.00 4.11 -5.35 -1.26 -4.50 119.36 117.54 1uac n ILE 88 Ca -0.04 -0.57 -0.11 0.00 -0.27 0.00 0.00 62.75 61.77 1uac n ILE 88 Cb 0.50 0.14 -0.05 0.00 -1.74 0.00 0.00 39.64 38.49 1uac n ILE 88 CO 0.00 0.00 0.00 0.74 -1.76 0.00 0.00 176.55 175.53 1uac h THR 89 N 2.26 0.97 -0.65 7.28 2.02 -1.93 0.12 112.91 122.99 1uac h THR 89 Ca 0.00 -0.03 -0.06 0.00 0.77 0.00 0.00 66.41 67.09 1uac h THR 89 Cb 0.67 0.88 -0.03 0.00 -1.74 0.00 0.00 68.15 67.93 1uac h THR 89 CO 0.05 0.02 0.15 0.00 0.37 0.00 0.00 175.52 176.10 1uac h ALA 90 N 1.07 1.04 -0.11 6.16 0.00 -1.83 0.20 119.26 125.78 1uac h ALA 90 Ca 0.04 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1uac h ALA 90 Cb 0.02 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 1uac h ALA 90 CO -0.05 0.63 0.07 0.77 0.00 0.00 0.00 179.25 180.67 1uac h SER 91 N 0.97 0.12 -0.32 0.00 0.02 -1.74 -1.72 113.55 110.88 1uac h SER 91 Ca 0.20 -0.00 0.02 0.00 -0.84 0.00 0.00 61.79 61.17 1uac h SER 91 Cb 0.36 -0.03 -0.02 0.00 0.14 0.00 0.00 62.40 62.85 1uac h SER 91 CO 0.00 0.09 0.18 0.58 -1.14 0.00 0.00 176.83 176.54 1uac h VAL 92 N 0.15 1.02 -0.76 2.27 2.07 -0.15 0.22 116.25 121.07 1uac h VAL 92 Ca 0.04 -0.13 0.02 0.00 0.82 0.00 0.00 66.70 67.45 1uac h VAL 92 Cb -0.01 0.62 -0.04 0.00 -1.52 0.00 0.00 31.29 30.33 1uac h VAL 92 CO -0.01 0.07 0.50 0.78 0.02 0.00 0.00 177.57 178.93 1uac h ASN 93 N 0.37 0.83 0.11 0.57 2.35 -0.46 -1.48 115.58 117.87 1uac h ASN 93 Ca 0.13 -0.02 -0.24 0.00 -0.55 0.00 0.00 56.30 55.63 1uac h ASN 93 Cb 0.01 -0.20 0.01 0.00 0.05 0.00 0.00 38.32 38.19 1uac h ASN 93 CO -0.07 0.59 -0.93 0.00 -1.65 0.00 0.00 177.43 175.37 1uac h ALA 95 N 0.60 1.65 -0.18 0.00 0.00 0.05 0.15 119.26 121.53 1uac h ALA 95 Ca -0.09 -0.18 -0.15 0.00 0.00 0.00 0.00 54.91 54.49 1uac h ALA 95 Cb 1.56 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.31 1uac h ALA 95 CO 0.17 0.25 -0.52 0.87 0.00 0.00 0.00 179.25 180.03 1uac h LYS 96 N 0.00 0.52 -0.55 0.00 1.57 -1.24 0.16 116.57 117.02 1uac h LYS 96 Ca -0.00 -0.31 -0.12 0.00 -1.87 0.00 0.00 60.65 58.35 1uac h LYS 96 Cb 0.36 0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.68 1uac h LYS 96 CO 0.03 0.91 -0.11 -0.22 -0.57 0.00 0.00 179.45 179.49 1uac h LYS 97 N 0.40 1.05 -0.61 3.15 3.64 -1.00 -1.69 116.57 121.51 1uac h LYS 97 Ca 0.01 -0.39 -0.10 0.00 -1.27 0.00 0.00 60.65 58.91 1uac h LYS 97 Cb 1.05 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.78 1uac h LYS 97 CO 0.10 1.08 0.00 0.82 -2.27 0.00 0.00 179.45 179.18 1uac h ILE 98 N 0.93 1.26 0.00 2.00 2.04 -0.50 -2.11 117.51 121.13 1uac h ILE 98 Ca 0.14 -1.15 0.00 0.00 1.00 0.00 0.00 64.86 64.86 1uac h ILE 98 Cb 0.68 0.79 0.00 0.00 -0.74 0.00 0.00 36.82 37.55 1uac h ILE 98 CO 0.05 0.42 0.00 0.00 0.00 0.00 0.00 178.15 178.62 1uac h ALA 99 N 1.02 1.00 -0.12 1.87 0.00 -0.57 -1.78 119.26 120.67 1uac h ALA 99 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1uac h ALA 99 Cb 0.55 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1uac h ALA 99 CO 0.03 0.00 0.00 0.43 0.00 0.00 0.00 179.25 179.71 1uac n SER 100 N -2.32 1.94 -4.56 0.00 7.64 -0.65 -4.05 113.62 111.63 1uac n SER 100 Ca 0.02 -1.69 -0.29 0.00 1.01 0.00 0.00 58.87 57.91 1uac n SER 100 Cb 0.24 -0.07 0.14 0.00 -1.01 0.00 0.00 64.21 63.51 1uac n SER 100 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1uac s GLY 101 N -1.76 1.64 0.37 0.23 0.00 -0.67 -4.94 107.32 102.19 1uac s GLY 101 Ca 0.35 -0.81 0.04 0.00 0.00 0.00 0.00 44.72 44.30 1uac s GLY 101 CO 0.30 -0.19 2.02 -1.33 0.00 0.00 0.00 173.10 173.90 1uac h GLY 102 N -1.46 0.81 2.00 0.20 0.00 -1.89 -2.02 103.07 100.71 1uac h GLY 102 Ca -0.47 -0.30 0.00 0.00 0.00 0.00 0.00 47.33 46.57 1uac h GLY 102 CO 0.54 0.28 0.00 -0.57 0.00 0.00 0.00 176.54 176.79 1uac h ASN 103 N 0.76 0.00 0.00 0.19 -0.73 -1.91 -3.50 115.58 110.39 1uac h ASN 103 Ca 0.22 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.39 1uac h ASN 103 Cb -0.04 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.55 1uac h ASN 103 CO -0.05 0.00 0.00 0.61 -0.37 0.00 0.00 177.43 177.62 1uac n GLY 104 N 0.76 2.38 0.05 1.57 0.00 -0.76 -1.97 105.19 107.22 1uac n GLY 104 Ca 0.04 -0.45 0.10 0.00 0.00 0.00 0.00 46.02 45.71 1uac n GLY 104 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1uac n MET 105 N 10.13 0.08 0.21 1.61 2.81 -1.26 -2.78 117.12 127.93 1uac n MET 105 Ca 0.00 0.24 0.14 0.00 -1.81 0.00 0.00 57.70 56.27 1uac n MET 105 Cb 0.00 -1.64 0.72 0.00 -0.71 0.00 0.00 33.22 31.60 1uac n MET 105 CO 0.00 0.00 0.00 -0.91 1.51 0.00 0.00 175.97 176.57 1uac h ASN 106 N 0.00 0.00 -1.23 7.83 2.35 -1.79 0.34 115.58 123.07 1uac h ASN 106 Ca 0.00 0.00 0.36 0.00 -0.55 0.00 0.00 56.30 56.11 1uac h ASN 106 Cb 0.39 0.00 -0.08 0.00 0.05 0.00 0.00 38.32 38.68 1uac h ASN 106 CO 0.00 0.00 0.84 0.00 -1.65 0.00 0.00 177.43 176.62 1uac h ALA 107 N 1.87 2.83 -2.24 -0.83 0.00 -1.67 -3.37 119.26 115.86 1uac h ALA 107 Ca 0.00 0.02 -0.64 0.00 0.00 0.00 0.00 54.91 54.29 1uac h ALA 107 Cb 0.11 0.10 -0.14 0.00 0.00 0.00 0.00 17.79 17.86 1uac h ALA 107 CO 0.00 -1.27 0.16 -1.58 0.00 0.00 0.00 179.25 176.57 1uac s TRP 108 N -5.18 3.10 0.17 0.00 0.51 0.11 -4.95 118.94 112.69 1uac s TRP 108 Ca -0.07 0.18 -0.23 0.00 -2.12 0.00 0.00 56.10 53.86 1uac s TRP 108 Cb 0.25 -3.28 0.06 0.00 -0.81 0.00 0.00 33.47 29.70 1uac s TRP 108 CO 0.81 -0.76 1.59 0.28 -0.51 0.00 0.00 176.95 178.37 1uac h VAL 109 N 5.79 0.20 -0.92 4.03 2.07 -1.86 -0.69 116.25 124.86 1uac h VAL 109 Ca -0.26 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.39 1uac h VAL 109 Cb 1.10 0.20 -0.07 0.00 -1.52 0.00 0.00 31.29 30.99 1uac h VAL 109 CO 0.87 0.00 0.59 0.00 0.02 0.00 0.00 177.57 179.05 1uac h ALA 110 N 0.76 1.69 -0.09 1.67 0.00 -1.93 0.10 119.26 121.47 1uac h ALA 110 Ca 0.18 0.01 -0.19 0.00 0.00 0.00 0.00 54.91 54.91 1uac h ALA 110 Cb 0.55 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.17 1uac h ALA 110 CO -0.58 0.07 -0.74 2.35 0.00 0.00 0.00 179.25 180.36 1uac h TRP 111 N 0.83 0.65 0.00 0.00 7.01 -1.48 0.17 115.95 123.12 1uac h TRP 111 Ca 0.46 -0.29 -0.04 0.00 2.11 0.00 0.00 58.89 61.13 1uac h TRP 111 Cb 0.58 -0.10 -0.01 0.00 -2.10 0.00 0.00 29.16 27.54 1uac h TRP 111 CO -0.00 1.06 -0.18 0.00 -2.79 0.00 0.00 178.44 176.52 1uac h ARG 112 N 0.33 0.00 0.23 2.65 3.08 -0.03 0.21 114.38 120.86 1uac h ARG 112 Ca -0.03 0.00 -0.34 0.00 0.07 0.00 0.00 59.98 59.68 1uac h ARG 112 Cb 1.32 0.00 0.03 0.00 0.08 0.00 0.00 29.97 31.40 1uac h ARG 112 CO 0.13 0.18 -1.53 -0.91 -1.07 0.00 0.00 179.97 176.78 1uac h ASN 113 N 0.00 0.78 0.00 7.04 2.35 -0.67 -3.41 115.58 121.67 1uac h ASN 113 Ca -0.00 -0.89 0.00 0.00 -0.55 0.00 0.00 56.30 54.86 1uac h ASN 113 Cb 1.03 -0.25 0.00 0.00 0.05 0.00 0.00 38.32 39.14 1uac h ASN 113 CO 0.02 1.71 0.00 0.54 -1.65 0.00 0.00 177.43 178.05 1uac n ARG 114 N -3.68 0.14 -0.05 0.81 1.74 0.03 -4.86 116.66 110.79 1uac n ARG 114 Ca -0.18 -0.14 -0.09 0.00 -0.77 0.00 0.00 57.85 56.67 1uac n ARG 114 Cb 1.10 -0.58 -0.03 0.00 -1.02 0.00 0.00 32.46 31.92 1uac n ARG 114 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1uac n LYS 116 N -3.25 1.63 -0.76 0.00 4.81 0.65 -2.47 118.16 118.76 1uac n LYS 116 Ca -0.18 0.59 0.00 0.00 -0.87 0.00 0.00 58.31 57.85 1uac n LYS 116 Cb 0.64 -2.28 0.00 0.00 0.02 0.00 0.00 35.03 33.41 1uac n LYS 116 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1uac n GLY 117 N 2.86 0.69 3.72 3.14 0.00 -1.26 -4.90 105.19 109.44 1uac n GLY 117 Ca 0.17 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.90 1uac n GLY 117 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1uac s THR 118 N -2.40 1.74 -1.22 2.61 -4.23 -1.03 -5.04 115.64 106.07 1uac s THR 118 Ca 0.00 -1.89 -0.21 0.00 -1.18 0.00 0.00 61.69 58.41 1uac s THR 118 Cb 0.00 -2.63 -0.04 0.00 1.34 0.00 0.00 72.50 71.17 1uac s THR 118 CO 0.00 0.00 1.87 -0.62 -0.54 0.00 0.00 174.62 175.33 1uac s ASP 119 N -3.86 5.57 0.59 3.99 -1.08 -1.26 -4.79 116.67 115.83 1uac s ASP 119 Ca 0.26 -1.90 0.35 0.00 -0.52 0.00 0.00 52.55 50.74 1uac s ASP 119 Cb 0.05 -2.59 1.86 0.00 -1.46 0.00 0.00 42.92 40.78 1uac s ASP 119 CO 0.14 -2.51 2.20 -0.37 0.52 0.00 0.00 175.17 175.15 1uac h VAL 120 N 5.99 0.26 -0.16 1.11 -1.51 -1.92 -1.10 116.25 118.92 1uac h VAL 120 Ca 0.29 -0.25 0.05 0.00 -1.23 0.00 0.00 66.70 65.55 1uac h VAL 120 Cb 0.92 1.19 -0.01 0.00 -2.13 0.00 0.00 31.29 31.26 1uac h VAL 120 CO 1.29 0.04 0.19 0.45 -1.23 0.00 0.00 177.57 178.31 1uac h HIS 121 N 0.00 0.00 -1.05 5.19 3.86 -1.90 -0.67 115.15 120.58 1uac h HIS 121 Ca -0.00 0.00 0.28 0.00 -1.16 0.00 0.00 60.37 59.49 1uac h HIS 121 Cb 0.19 0.00 -0.07 0.00 1.06 0.00 0.00 27.41 28.58 1uac h HIS 121 CO 0.00 0.00 0.71 0.00 0.86 0.00 0.00 177.93 179.50 1uac h ALA 122 N 1.78 2.51 0.00 2.45 0.00 -1.60 -1.09 119.26 123.31 1uac h ALA 122 Ca 0.08 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 1uac h ALA 122 Cb 0.45 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.28 1uac h ALA 122 CO -0.00 -0.88 -0.09 -1.49 0.00 0.00 0.00 179.25 176.80 1uac h TRP 123 N 0.26 0.00 -0.38 0.00 4.06 -1.32 -2.53 115.95 116.04 1uac h TRP 123 Ca 0.56 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.51 1uac h TRP 123 Cb 1.69 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.85 1uac h TRP 123 CO -0.00 0.09 0.00 0.44 -3.56 0.00 0.00 178.44 175.41 1uac n ILE 124 N -3.18 1.24 -3.04 1.49 -5.35 -0.45 -4.84 119.36 105.22 1uac n ILE 124 Ca 0.01 -1.14 -0.36 0.00 -0.27 0.00 0.00 62.75 61.00 1uac n ILE 124 Cb 0.41 0.37 -0.06 0.00 -1.74 0.00 0.00 39.64 38.62 1uac n ILE 124 CO 0.00 0.00 0.00 -0.13 -1.76 0.00 0.00 176.55 174.66 1uac s ARG 125 N -1.32 4.26 0.00 6.28 0.52 -0.94 -2.65 118.95 125.11 1uac s ARG 125 Ca 0.29 0.92 0.00 0.00 -0.52 0.00 0.00 55.73 56.43 1uac s ARG 125 Cb 0.17 -2.77 0.00 0.00 0.52 0.00 0.00 34.95 32.88 1uac s ARG 125 CO 0.17 0.32 0.00 0.41 0.02 0.00 0.00 175.30 176.22 1uac n GLY 126 N 0.47 2.87 3.76 -3.53 0.00 -1.26 -5.05 105.19 102.45 1uac n GLY 126 Ca -0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 1uac n GLY 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1uac s ARG 128 N 0.07 3.77 0.00 0.00 1.81 -1.26 -5.08 118.95 118.25 1uac s ARG 128 Ca 0.14 0.05 0.00 0.00 -1.72 0.00 0.00 55.73 54.20 1uac s ARG 128 Cb -0.12 -3.76 0.00 0.00 -0.45 0.00 0.00 34.95 30.61 1uac s ARG 128 CO 0.02 -0.59 0.34 1.28 -0.68 0.00 0.00 175.30 175.67