#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uaq h LYS 9 N 0.00 0.00 -0.19 4.33 3.64 -2.04 -2.06 116.57 120.25 1uaq h LYS 9 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1uaq h LYS 9 Cb 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 1uaq h LYS 9 CO 0.00 0.05 0.00 0.91 -2.27 0.00 0.00 179.45 178.14 1uaq n TRP 10 N -3.62 0.23 0.07 1.91 7.02 -1.26 -4.61 117.44 117.17 1uaq n TRP 10 Ca -0.02 -0.13 0.06 0.00 -1.02 0.00 0.00 57.50 56.39 1uaq n TRP 10 Cb 0.16 -0.00 0.50 0.00 -2.42 0.00 0.00 31.31 29.54 1uaq n TRP 10 CO 0.00 0.00 0.00 -0.44 -2.02 0.00 0.00 177.69 175.23 1uaq h ASP 11 N 4.08 0.32 -0.26 -0.99 3.32 -1.80 0.12 116.42 121.20 1uaq h ASP 11 Ca 0.00 -0.01 -0.17 0.00 0.02 0.00 0.00 57.03 56.87 1uaq h ASP 11 Cb 0.90 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 40.37 1uaq h ASP 11 CO 0.00 0.23 -0.51 1.56 -1.72 0.00 0.00 179.24 178.80 1uaq h GLN 12 N 0.38 0.81 0.00 3.56 4.20 -1.81 -2.11 115.11 120.14 1uaq h GLN 12 Ca 0.12 -0.52 -0.00 0.00 0.06 0.00 0.00 58.65 58.31 1uaq h GLN 12 Cb 0.02 0.06 0.00 0.00 0.30 0.00 0.00 27.48 27.87 1uaq h GLN 12 CO -0.03 1.15 -0.00 -0.22 -0.67 0.00 0.00 178.83 179.06 1uaq h LYS 13 N 0.57 -0.00 -0.66 1.46 3.64 -1.66 -1.16 116.57 118.76 1uaq h LYS 13 Ca 0.01 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.37 1uaq h LYS 13 Cb 1.12 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.91 1uaq h LYS 13 CO 0.11 0.14 0.32 0.78 -2.27 0.00 0.00 179.45 178.52 1uaq h GLY 14 N -0.14 1.01 2.00 5.01 0.00 -0.82 -1.88 103.07 108.25 1uaq h GLY 14 Ca -0.00 -0.50 -0.10 0.00 0.00 0.00 0.00 47.33 46.73 1uaq h GLY 14 CO 0.00 0.48 -0.48 1.98 0.00 0.00 0.00 176.54 178.52 1uaq h MET 15 N 0.91 0.00 -0.45 4.80 1.85 -1.33 -1.13 114.93 119.57 1uaq h MET 15 Ca 0.23 0.00 -0.06 0.00 -0.61 0.00 0.00 59.70 59.25 1uaq h MET 15 Cb 0.12 0.00 -0.02 0.00 0.43 0.00 0.00 31.60 32.13 1uaq h MET 15 CO -0.03 0.48 0.04 -0.44 -0.40 0.00 0.00 176.91 176.56 1uaq h ASP 16 N 0.00 0.74 -0.31 1.39 3.45 -0.82 -0.04 116.42 120.83 1uaq h ASP 16 Ca -0.00 -0.28 -0.08 0.00 0.43 0.00 0.00 57.03 57.09 1uaq h ASP 16 Cb 0.95 -0.20 -0.01 0.00 -0.56 0.00 0.00 39.33 39.51 1uaq h ASP 16 CO 0.06 0.84 -0.13 0.40 -1.57 0.00 0.00 179.24 178.85 1uaq h ILE 17 N 0.62 1.29 -0.83 0.35 2.04 -1.16 -0.90 117.51 118.92 1uaq h ILE 17 Ca 0.13 -1.21 -0.02 0.00 1.00 0.00 0.00 64.86 64.76 1uaq h ILE 17 Cb 0.43 1.43 -0.04 0.00 -0.74 0.00 0.00 36.82 37.91 1uaq h ILE 17 CO 0.02 0.39 0.45 0.00 0.00 0.00 0.00 178.15 179.00 1uaq h ALA 18 N 0.77 1.23 -0.29 1.87 0.00 -1.16 -0.26 119.26 121.41 1uaq h ALA 18 Ca 0.07 -0.13 -0.15 0.00 0.00 0.00 0.00 54.91 54.71 1uaq h ALA 18 Cb 0.64 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1uaq h ALA 18 CO 0.04 0.62 -0.42 -0.92 0.00 0.00 0.00 179.25 178.58 1uaq h TYR 19 N 1.16 0.86 -0.97 0.00 3.20 -0.83 -1.00 116.97 119.38 1uaq h TYR 19 Ca 0.29 -0.26 0.04 0.00 3.14 0.00 0.00 58.73 61.94 1uaq h TYR 19 Cb 0.04 -0.18 -0.06 0.00 1.54 0.00 0.00 36.73 38.07 1uaq h TYR 19 CO 0.01 1.01 0.63 0.93 -1.64 0.00 0.00 178.16 179.10 1uaq h GLU 20 N 0.58 1.18 -0.43 1.82 5.08 -0.44 0.03 114.58 122.41 1uaq h GLU 20 Ca 0.04 -0.07 -0.14 0.00 -1.00 0.00 0.00 59.36 58.19 1uaq h GLU 20 Cb 0.96 -0.27 -0.01 0.00 0.50 0.00 0.00 28.75 29.93 1uaq h GLU 20 CO 0.09 0.78 -0.30 0.93 -1.00 0.00 0.00 179.01 179.51 1uaq h GLU 21 N 1.22 0.95 -0.82 2.33 4.39 -0.63 -1.27 114.58 120.75 1uaq h GLU 21 Ca 0.39 -0.45 -0.02 0.00 0.34 0.00 0.00 59.36 59.62 1uaq h GLU 21 Cb 0.02 -0.01 -0.04 0.00 -0.10 0.00 0.00 28.75 28.62 1uaq h GLU 21 CO -0.13 1.12 0.44 0.00 -1.16 0.00 0.00 179.01 179.27 1uaq h ALA 22 N 0.84 1.05 -0.45 3.43 0.00 -0.69 0.12 119.26 123.57 1uaq h ALA 22 Ca 0.09 -0.13 -0.14 0.00 0.00 0.00 0.00 54.91 54.72 1uaq h ALA 22 Cb 0.88 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 1uaq h ALA 22 CO 0.08 0.58 -0.27 0.00 0.00 0.00 0.00 179.25 179.64 1uaq h ALA 23 N 1.23 0.66 -0.32 0.00 0.00 -0.88 -0.34 119.26 119.61 1uaq h ALA 23 Ca 0.29 -0.41 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 1uaq h ALA 23 Cb 0.05 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1uaq h ALA 23 CO -0.04 0.68 0.14 1.25 0.00 0.00 0.00 179.25 181.27 1uaq h LEU 24 N 0.83 0.43 -1.07 0.00 5.85 -0.94 -1.40 115.31 119.02 1uaq h LEU 24 Ca 0.10 -0.15 -0.02 0.00 0.84 0.00 0.00 57.88 58.64 1uaq h LEU 24 Cb 0.86 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.74 1uaq h LEU 24 CO 0.08 0.47 0.34 1.23 -0.34 0.00 0.00 178.44 180.21 1uaq h GLY 25 N 0.37 1.07 0.99 3.75 0.00 -0.62 -1.97 103.07 106.66 1uaq h GLY 25 Ca 0.11 -0.51 -0.00 0.00 0.00 0.00 0.00 47.33 46.93 1uaq h GLY 25 CO -0.01 0.49 0.27 -1.82 0.00 0.00 0.00 176.54 175.47 1uaq h TYR 26 N 1.00 0.58 -0.29 5.60 3.20 -0.63 -0.75 116.97 125.69 1uaq h TYR 26 Ca 0.24 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.12 1uaq h TYR 26 Cb 0.10 -0.19 -0.01 0.00 1.54 0.00 0.00 36.73 38.16 1uaq h TYR 26 CO 0.01 0.40 0.19 -0.22 -1.64 0.00 0.00 178.16 176.90 1uaq h LYS 27 N 0.59 0.38 0.00 1.82 3.64 -0.78 -0.98 116.57 121.24 1uaq h LYS 27 Ca 0.16 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.52 1uaq h LYS 27 Cb -0.01 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 31.72 1uaq h LYS 27 CO -0.03 0.26 0.00 0.39 -2.27 0.00 0.00 179.45 177.79 1uaq n GLU 28 N -4.49 0.38 -0.20 1.90 1.02 -0.79 -4.89 120.64 113.57 1uaq n GLU 28 Ca 0.01 0.03 0.00 0.00 -0.02 0.00 0.00 57.16 57.18 1uaq n GLU 28 Cb 0.07 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 29.99 1uaq n GLU 28 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1uaq n GLY 29 N 1.01 0.82 0.00 0.62 0.00 -0.37 -4.87 105.19 102.40 1uaq n GLY 29 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 1uaq n GLY 29 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1uaq n GLY 30 N -2.15 1.93 3.69 -0.02 0.00 -0.35 -4.88 105.19 103.40 1uaq n GLY 30 Ca 0.00 -2.11 -0.42 0.00 0.00 0.00 0.00 46.02 43.49 1uaq n GLY 30 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1uaq s VAL 31 N 1.21 4.30 -1.37 1.61 1.01 -1.26 -4.36 120.40 121.54 1uaq s VAL 31 Ca 0.00 1.63 -0.16 0.00 0.00 0.00 0.00 61.98 63.45 1uaq s VAL 31 Cb 0.00 -4.05 0.03 0.00 0.00 0.00 0.00 36.38 32.37 1uaq s VAL 31 CO 0.00 0.01 2.09 -0.81 0.00 0.00 0.00 175.10 176.39 1uaq n PRO 32 N 5.08 2.82 -4.17 2.72 -0.04 -1.26 -4.36 135.00 135.79 1uaq n PRO 32 Ca 0.10 -2.70 -0.25 0.00 -0.04 0.00 0.00 63.50 60.61 1uaq n PRO 32 Cb 0.47 -3.32 -0.17 0.00 -0.04 0.00 0.00 33.50 30.43 1uaq n PRO 32 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1uaq s ILE 33 N 3.72 1.00 0.24 0.52 1.01 -1.26 -4.67 121.20 121.76 1uaq s ILE 33 Ca 0.50 -0.33 0.04 0.00 0.00 0.00 0.00 60.65 60.86 1uaq s ILE 33 Cb 0.11 -0.98 -0.05 0.00 0.01 0.00 0.00 42.46 41.55 1uaq s ILE 33 CO -0.03 0.35 -0.00 -0.83 0.00 0.00 0.00 174.94 174.42 1uaq s GLY 34 N 1.27 1.62 0.33 6.18 0.00 -1.25 -1.39 107.32 114.08 1uaq s GLY 34 Ca -0.04 -1.80 -0.18 0.00 0.00 0.00 0.00 44.72 42.71 1uaq s GLY 34 CO -0.03 -1.69 0.74 -0.32 0.00 0.00 0.00 173.10 171.80 1uaq s GLY 35 N -3.33 0.20 0.01 0.20 0.00 0.17 -1.67 107.32 102.89 1uaq s GLY 35 Ca 0.29 -0.58 -0.28 0.00 0.00 0.00 0.00 44.72 44.15 1uaq s GLY 35 CO 0.10 -0.24 0.72 0.00 0.00 0.00 0.00 173.10 173.67 1uaq s LEU 37 N -1.86 2.49 -0.02 0.00 2.96 -0.42 -0.25 118.68 121.57 1uaq s LEU 37 Ca -0.04 -0.48 0.08 0.00 -0.22 0.00 0.00 54.13 53.47 1uaq s LEU 37 Cb -0.01 -1.57 -0.02 0.00 0.50 0.00 0.00 46.19 45.09 1uaq s LEU 37 CO -0.01 0.06 -0.25 -0.63 -1.32 0.00 0.00 176.35 174.20 1uaq s ILE 38 N 0.96 1.99 -0.07 6.68 1.01 -0.50 -0.62 121.20 130.66 1uaq s ILE 38 Ca -0.02 -1.09 -0.30 0.00 0.00 0.00 0.00 60.65 59.24 1uaq s ILE 38 Cb -0.15 -1.65 -0.03 0.00 0.01 0.00 0.00 42.46 40.64 1uaq s ILE 38 CO -0.02 0.56 1.17 0.21 0.00 0.00 0.00 174.94 176.85 1uaq s ASN 39 N -0.61 7.08 0.54 3.58 3.84 -0.30 -1.37 114.94 127.69 1uaq s ASN 39 Ca 0.10 1.75 0.27 0.00 0.21 0.00 0.00 52.86 55.19 1uaq s ASN 39 Cb -0.10 -2.56 1.53 0.00 -0.55 0.00 0.00 41.25 39.58 1uaq s ASN 39 CO -0.01 -0.57 2.12 0.78 -2.79 0.00 0.00 177.10 176.63 1uaq h ASN 40 N 7.44 0.00 0.18 -4.21 2.35 -1.44 -0.09 115.58 119.80 1uaq h ASN 40 Ca -0.33 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.41 1uaq h ASN 40 Cb 1.15 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.52 1uaq h ASN 40 CO 0.88 0.09 -0.09 0.50 -1.65 0.00 0.00 177.43 177.17 1uaq h LYS 41 N 0.00 -0.23 -0.01 0.81 3.64 -1.92 -3.39 116.57 115.47 1uaq h LYS 41 Ca -0.00 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 1uaq h LYS 41 Cb 0.24 0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.11 1uaq h LYS 41 CO 0.01 0.18 -0.07 -0.40 -2.27 0.00 0.00 179.45 176.90 1uaq n ASP 42 N -4.94 1.53 -0.00 4.20 3.85 -1.22 -4.99 116.55 114.98 1uaq n ASP 42 Ca -0.08 -1.27 -0.00 0.00 -0.71 0.00 0.00 54.79 52.74 1uaq n ASP 42 Cb 0.26 0.18 -0.00 0.00 -1.35 0.00 0.00 41.12 40.20 1uaq n ASP 42 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1uaq n GLY 43 N 0.64 0.45 3.77 6.12 0.00 -0.05 -5.00 105.19 111.12 1uaq n GLY 43 Ca 0.05 -0.02 -0.37 0.00 0.00 0.00 0.00 46.02 45.67 1uaq n GLY 43 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1uaq s SER 44 N -2.02 6.45 -0.40 1.61 1.04 -1.25 -4.73 113.70 114.40 1uaq s SER 44 Ca 0.00 2.27 -0.19 0.00 0.48 0.00 0.00 55.95 58.51 1uaq s SER 44 Cb 0.00 -2.60 0.01 0.00 0.10 0.00 0.00 66.02 63.53 1uaq s SER 44 CO 0.00 -0.72 0.53 -0.69 0.98 0.00 0.00 173.24 173.34 1uaq s VAL 45 N -1.51 4.98 0.05 5.02 1.01 -1.26 -1.15 120.40 127.53 1uaq s VAL 45 Ca 0.59 0.09 0.19 0.00 0.00 0.00 0.00 61.98 62.85 1uaq s VAL 45 Cb -0.28 -4.06 0.13 0.00 0.00 0.00 0.00 36.38 32.17 1uaq s VAL 45 CO 0.35 -0.39 1.66 -0.07 0.00 0.00 0.00 175.10 176.65 1uaq h LEU 46 N 9.27 0.00 0.00 3.92 3.38 -1.23 -3.48 115.31 127.16 1uaq h LEU 46 Ca -0.27 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.70 1uaq h LEU 46 Cb 1.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.86 1uaq h LEU 46 CO 0.82 0.38 0.00 0.61 0.09 0.00 0.00 178.44 180.34 1uaq n GLY 47 N 0.55 0.88 3.26 0.83 0.00 -1.22 -4.34 105.19 105.16 1uaq n GLY 47 Ca 0.01 -0.70 -0.12 0.00 0.00 0.00 0.00 46.02 45.21 1uaq n GLY 47 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1uaq s ARG 48 N -2.00 0.79 0.17 1.61 1.70 -1.26 -1.30 118.95 118.66 1uaq s ARG 48 Ca 0.00 -0.39 -0.22 0.00 -0.47 0.00 0.00 55.73 54.65 1uaq s ARG 48 Cb 0.00 0.35 0.08 0.00 -0.57 0.00 0.00 34.95 34.80 1uaq s ARG 48 CO 0.00 -0.25 1.05 0.20 -1.08 0.00 0.00 175.30 175.22 1uaq s GLY 49 N -1.84 0.10 0.18 3.88 0.00 -0.74 -4.66 107.32 104.23 1uaq s GLY 49 Ca -0.07 -0.31 -0.05 0.00 0.00 0.00 0.00 44.72 44.28 1uaq s GLY 49 CO -0.01 2.56 0.22 -2.38 0.00 0.00 0.00 173.10 173.49 1uaq s HIS 50 N -2.18 0.73 0.22 1.90 -3.43 -1.26 -0.66 115.29 110.61 1uaq s HIS 50 Ca 0.22 -1.06 -0.32 0.00 -0.80 0.00 0.00 55.06 53.10 1uaq s HIS 50 Cb -0.02 -0.27 -0.13 0.00 -1.43 0.00 0.00 32.58 30.73 1uaq s HIS 50 CO 0.05 -0.70 1.52 -1.71 -2.00 0.00 0.00 174.74 171.90 1uaq n ASN 51 N -0.23 3.11 -0.59 7.38 2.85 -0.48 -4.44 115.26 122.85 1uaq n ASN 51 Ca -0.03 1.12 0.05 0.00 -0.11 0.00 0.00 54.58 55.61 1uaq n ASN 51 Cb 0.64 -1.46 0.19 0.00 1.24 0.00 0.00 39.78 40.39 1uaq n ASN 51 CO 0.00 0.00 0.00 0.23 -2.11 0.00 0.00 177.26 175.38 1uaq n MET 52 N 2.67 1.63 0.06 1.20 2.81 0.08 -4.60 117.12 120.97 1uaq n MET 52 Ca 0.13 -3.10 -0.11 0.00 -1.81 0.00 0.00 57.70 52.81 1uaq n MET 52 Cb 0.31 -1.64 -0.05 0.00 -0.71 0.00 0.00 33.22 31.14 1uaq n MET 52 CO 0.00 0.00 0.00 -0.09 1.51 0.00 0.00 175.97 177.39 1uaq h ARG 53 N 0.81 -0.31 0.08 0.03 2.43 -1.72 -0.84 114.38 114.87 1uaq h ARG 53 Ca 0.04 0.02 -0.27 0.00 -0.81 0.00 0.00 59.98 58.96 1uaq h ARG 53 Cb 1.14 0.07 0.03 0.00 -0.42 0.00 0.00 29.97 30.78 1uaq h ARG 53 CO 0.08 -0.21 -1.11 0.74 -1.51 0.00 0.00 179.97 177.96 1uaq h PHE 54 N -0.32 0.96 -0.87 2.20 -1.00 -1.87 0.16 116.94 116.21 1uaq h PHE 54 Ca 0.05 -0.58 0.03 0.00 2.81 0.00 0.00 57.97 60.28 1uaq h PHE 54 Cb 0.39 -0.09 -0.05 0.00 3.61 0.00 0.00 35.95 39.82 1uaq h PHE 54 CO -0.24 1.42 0.57 1.96 -1.61 0.00 0.00 178.31 180.42 1uaq h GLN 55 N 0.23 1.07 0.00 1.51 7.50 -1.86 -3.27 115.11 120.29 1uaq h GLN 55 Ca -0.16 -0.06 0.00 0.00 0.50 0.00 0.00 58.65 58.92 1uaq h GLN 55 Cb 1.79 -0.24 0.00 0.00 0.05 0.00 0.00 27.48 29.08 1uaq h GLN 55 CO 0.21 0.71 -0.00 1.63 -1.50 0.00 0.00 178.83 179.88 1uaq n LYS 56 N -4.44 2.54 -3.74 1.46 5.02 -0.33 -5.00 118.16 113.68 1uaq n LYS 56 Ca 0.11 -1.38 -0.26 0.00 -2.02 0.00 0.00 58.31 54.76 1uaq n LYS 56 Cb 0.09 -0.94 0.05 0.00 -0.02 0.00 0.00 35.03 34.22 1uaq n LYS 56 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1uaq n GLY 57 N -0.44 -0.50 3.68 0.72 0.00 0.50 -4.96 105.19 104.18 1uaq n GLY 57 Ca 0.00 0.22 -0.36 0.00 0.00 0.00 0.00 46.02 45.88 1uaq n GLY 57 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1uaq s SER 58 N -3.41 6.05 0.00 1.61 0.15 -0.73 -4.97 113.70 112.40 1uaq s SER 58 Ca 0.57 0.14 0.27 0.00 0.70 0.00 0.00 55.95 57.63 1uaq s SER 58 Cb -0.27 -2.07 0.96 0.00 -1.71 0.00 0.00 66.02 62.93 1uaq s SER 58 CO 0.78 0.12 1.69 0.00 1.20 0.00 0.00 173.24 177.03 1uaq n ALA 59 N 3.92 2.90 0.00 5.45 0.00 -1.26 -4.12 120.51 127.40 1uaq n ALA 59 Ca -0.16 -0.37 0.00 0.00 0.00 0.00 0.00 53.44 52.91 1uaq n ALA 59 Cb 0.52 -1.20 0.00 0.00 0.00 0.00 0.00 19.45 18.77 1uaq n ALA 59 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1uaq n THR 60 N -0.59 0.00 -1.38 0.00 -2.24 -1.26 -4.88 114.28 103.93 1uaq n THR 60 Ca 0.14 -0.00 -0.40 0.00 -2.27 0.00 0.00 64.05 61.52 1uaq n THR 60 Cb 0.33 0.41 -0.02 0.00 -2.10 0.00 0.00 70.33 68.94 1uaq n THR 60 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1uaq n LEU 61 N -1.22 5.97 -4.65 3.22 4.77 -1.26 -4.75 117.00 119.08 1uaq n LEU 61 Ca 0.00 -3.62 -0.29 0.00 -0.03 0.00 0.00 56.01 52.07 1uaq n LEU 61 Cb 0.00 -1.41 0.20 0.00 -2.33 0.00 0.00 43.42 39.89 1uaq n LEU 61 CO 0.00 0.68 0.65 -1.00 -1.33 0.00 0.00 177.39 176.39 1uaq s HIS 62 N 3.70 1.36 0.22 -1.77 3.76 -1.26 -0.74 115.29 120.55 1uaq s HIS 62 Ca 0.52 0.71 -0.08 0.00 -0.15 0.00 0.00 55.06 56.06 1uaq s HIS 62 Cb 0.14 -3.40 0.25 0.00 1.11 0.00 0.00 32.58 30.68 1uaq s HIS 62 CO -0.01 -3.33 1.84 0.78 -0.85 0.00 0.00 174.74 173.17 1uaq h GLY 63 N -2.19 1.10 1.08 -2.22 0.00 -1.78 0.17 103.07 99.22 1uaq h GLY 63 Ca -0.50 -0.33 -0.13 0.00 0.00 0.00 0.00 47.33 46.37 1uaq h GLY 63 CO 0.46 0.25 -0.21 0.83 0.00 0.00 0.00 176.54 177.87 1uaq h GLU 64 N 0.86 0.93 -0.29 4.80 3.07 -1.89 -1.01 114.58 121.05 1uaq h GLU 64 Ca 0.32 -0.41 -0.05 0.00 -0.50 0.00 0.00 59.36 58.72 1uaq h GLU 64 Cb 0.11 -0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 27.98 1uaq h GLU 64 CO -0.15 1.07 -0.04 0.82 -1.40 0.00 0.00 179.01 179.31 1uaq h ILE 65 N 0.77 1.27 -0.85 3.13 1.08 -1.76 -1.34 117.51 119.80 1uaq h ILE 65 Ca 0.10 -1.02 0.02 0.00 -0.39 0.00 0.00 64.86 63.57 1uaq h ILE 65 Cb 0.78 1.36 -0.05 0.00 -3.07 0.00 0.00 36.82 35.85 1uaq h ILE 65 CO 0.06 0.33 0.56 -1.28 -0.69 0.00 0.00 178.15 177.13 1uaq h SER 66 N 0.30 0.96 -0.18 1.72 0.87 -0.63 0.87 113.55 117.46 1uaq h SER 66 Ca 0.08 -0.02 0.02 0.00 -1.23 0.00 0.00 61.79 60.64 1uaq h SER 66 Cb 0.49 -0.23 -0.02 0.00 -0.44 0.00 0.00 62.40 62.20 1uaq h SER 66 CO 0.02 0.69 0.03 0.74 -0.53 0.00 0.00 176.83 177.77 1uaq h THR 67 N 1.13 0.91 -0.64 2.23 2.02 -0.98 0.39 112.91 117.97 1uaq h THR 67 Ca 0.32 -0.03 -0.07 0.00 0.77 0.00 0.00 66.41 67.40 1uaq h THR 67 Cb -0.09 0.80 -0.03 0.00 -1.74 0.00 0.00 68.15 67.09 1uaq h THR 67 CO -0.08 0.02 0.11 -0.07 0.37 0.00 0.00 175.52 175.87 1uaq h LEU 68 N 0.10 0.99 -1.02 2.58 3.38 -0.73 -2.31 115.31 118.30 1uaq h LEU 68 Ca 0.08 -0.22 0.01 0.00 0.09 0.00 0.00 57.88 57.84 1uaq h LEU 68 Cb 0.08 -0.26 -0.05 0.00 0.09 0.00 0.00 40.66 40.52 1uaq h LEU 68 CO -0.12 0.98 0.66 -0.08 0.09 0.00 0.00 178.44 179.97 1uaq h GLU 69 N 0.98 1.31 0.00 1.13 4.57 -0.47 -2.48 114.58 119.62 1uaq h GLU 69 Ca 0.20 -0.08 0.00 0.00 -1.18 0.00 0.00 59.36 58.30 1uaq h GLU 69 Cb 0.41 -0.29 0.00 0.00 -0.16 0.00 0.00 28.75 28.70 1uaq h GLU 69 CO 0.01 0.86 0.00 -0.91 -1.18 0.00 0.00 179.01 177.79 1uaq h ASN 70 N 1.35 0.00 1.43 1.04 -0.26 -0.39 -2.06 115.58 116.68 1uaq h ASN 70 Ca 0.37 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 56.11 1uaq h ASN 70 Cb -0.14 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.12 1uaq h ASN 70 CO -0.08 0.00 0.00 0.00 -1.06 0.00 0.00 177.43 176.29 1uaq n GLY 72 N 0.86 -2.08 3.74 0.00 0.00 -0.78 -4.82 105.19 102.11 1uaq n GLY 72 Ca 0.04 -1.42 -0.41 0.00 0.00 0.00 0.00 46.02 44.23 1uaq n GLY 72 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1uaq s ARG 73 N -0.81 4.30 0.02 1.61 0.52 -1.26 -4.94 118.95 118.39 1uaq s ARG 73 Ca 0.00 2.23 -0.00 0.00 -0.52 0.00 0.00 55.73 57.44 1uaq s ARG 73 Cb 0.00 -3.15 -0.02 0.00 0.52 0.00 0.00 34.95 32.30 1uaq s ARG 73 CO 0.00 -0.40 -0.03 -0.51 0.02 0.00 0.00 175.30 174.38 1uaq s LEU 74 N -0.01 2.23 0.48 2.53 1.43 -1.26 -5.13 118.68 118.94 1uaq s LEU 74 Ca 0.60 -0.48 -0.22 0.00 -1.03 0.00 0.00 54.13 53.00 1uaq s LEU 74 Cb -0.40 0.10 -0.07 0.00 0.03 0.00 0.00 46.19 45.85 1uaq s LEU 74 CO 0.39 -0.29 1.19 -1.61 0.23 0.00 0.00 176.35 176.26 1uaq s GLU 75 N -1.42 3.61 0.38 1.70 2.02 -1.26 -4.89 118.70 118.85 1uaq s GLU 75 Ca -0.16 1.81 0.14 0.00 0.02 0.00 0.00 54.97 56.79 1uaq s GLU 75 Cb -0.10 -2.33 0.98 0.00 0.10 0.00 0.00 34.13 32.78 1uaq s GLU 75 CO -0.01 -0.68 1.83 0.78 0.02 0.00 0.00 175.26 177.20 1uaq h GLY 76 N 1.85 1.15 2.00 -1.39 0.00 -2.00 -1.15 103.07 103.53 1uaq h GLY 76 Ca -0.50 -0.24 -0.02 0.00 0.00 0.00 0.00 47.33 46.57 1uaq h GLY 76 CO 0.59 -0.02 -0.12 0.07 0.00 0.00 0.00 176.54 177.07 1uaq h LYS 77 N 0.52 0.00 -0.85 4.80 2.10 -1.94 -2.70 116.57 118.50 1uaq h LYS 77 Ca 0.51 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 59.16 1uaq h LYS 77 Cb 1.10 0.00 -0.04 0.00 -0.90 0.00 0.00 32.23 32.39 1uaq h LYS 77 CO -0.24 0.12 0.53 0.28 -2.00 0.00 0.00 179.45 178.14 1uaq h VAL 78 N 0.00 1.23 0.00 0.07 2.07 -1.57 -2.55 116.25 115.50 1uaq h VAL 78 Ca -0.00 -0.47 -0.04 0.00 0.82 0.00 0.00 66.70 67.01 1uaq h VAL 78 Cb 0.25 0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 30.03 1uaq h VAL 78 CO 0.02 0.23 -0.17 1.88 0.02 0.00 0.00 177.57 179.55 1uaq h TYR 79 N 1.16 0.00 0.00 1.57 -1.99 -1.63 -3.29 116.97 112.79 1uaq h TYR 79 Ca 0.31 0.00 0.00 0.00 2.00 0.00 0.00 58.73 61.04 1uaq h TYR 79 Cb -0.08 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.65 1uaq h TYR 79 CO 0.00 0.17 0.00 0.87 -0.00 0.00 0.00 178.16 179.20 1uaq h LYS 80 N 0.00 0.00 -1.55 4.88 1.79 -1.54 -2.75 116.57 117.41 1uaq h LYS 80 Ca -0.00 0.00 -0.48 0.00 -2.18 0.00 0.00 60.65 57.99 1uaq h LYS 80 Cb 0.63 0.00 -0.41 0.00 -1.58 0.00 0.00 32.23 30.87 1uaq h LYS 80 CO 0.02 0.00 -0.99 -3.47 -1.08 0.00 0.00 179.45 173.93 1uaq n ASP 81 N -2.57 2.64 -4.49 0.86 2.03 -1.24 -4.47 116.55 109.31 1uaq n ASP 81 Ca -0.02 -3.19 -0.23 0.00 0.52 0.00 0.00 54.79 51.87 1uaq n ASP 81 Cb 0.07 -0.54 -0.11 0.00 -0.72 0.00 0.00 41.12 39.83 1uaq n ASP 81 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 1uaq s THR 82 N -3.82 1.45 -0.06 5.18 -4.23 -1.04 -1.11 115.64 112.02 1uaq s THR 82 Ca 0.39 -2.01 0.03 0.00 -1.18 0.00 0.00 61.69 58.91 1uaq s THR 82 Cb 0.39 -2.82 0.01 0.00 1.34 0.00 0.00 72.50 71.42 1uaq s THR 82 CO -0.07 -0.03 -0.13 -0.89 -0.54 0.00 0.00 174.62 172.96 1uaq s THR 83 N -3.11 1.15 -0.26 3.99 2.01 -0.47 -3.58 115.64 115.36 1uaq s THR 83 Ca 0.36 -0.52 -0.13 0.00 0.31 0.00 0.00 61.69 61.71 1uaq s THR 83 Cb 0.09 -1.04 -0.04 0.00 0.01 0.00 0.00 72.50 71.52 1uaq s THR 83 CO 0.16 0.35 0.28 -0.22 -0.69 0.00 0.00 174.62 174.50 1uaq s LEU 84 N 0.47 4.05 -0.14 4.42 2.96 -0.49 -1.40 118.68 128.55 1uaq s LEU 84 Ca -0.11 0.18 -0.10 0.00 -0.22 0.00 0.00 54.13 53.88 1uaq s LEU 84 Cb -0.14 -2.28 -0.05 0.00 0.50 0.00 0.00 46.19 44.22 1uaq s LEU 84 CO 0.03 -0.09 0.20 -0.31 -1.32 0.00 0.00 176.35 174.86 1uaq s TYR 85 N 1.74 3.52 -0.01 5.38 1.51 0.65 -1.54 117.35 128.60 1uaq s TYR 85 Ca 0.11 0.53 0.00 0.00 -1.01 0.00 0.00 57.07 56.70 1uaq s TYR 85 Cb -0.15 -2.14 0.02 0.00 -0.11 0.00 0.00 41.96 39.57 1uaq s TYR 85 CO 0.09 0.46 0.01 -0.08 -1.11 0.00 0.00 175.55 174.92 1uaq s THR 86 N -0.22 0.06 0.31 -0.71 -1.32 -0.35 -1.70 115.64 111.71 1uaq s THR 86 Ca 0.14 0.08 0.38 0.00 -1.21 0.00 0.00 61.69 61.07 1uaq s THR 86 Cb -0.12 -0.13 0.41 0.00 -1.51 0.00 0.00 72.50 71.14 1uaq s THR 86 CO 0.03 0.08 2.13 0.71 -2.21 0.00 0.00 174.62 175.36 1uaq h THR 87 N 5.82 0.00 -4.14 5.08 1.35 -1.62 0.26 112.91 119.67 1uaq h THR 87 Ca -0.37 -0.29 -0.47 0.00 -0.55 0.00 0.00 66.41 64.74 1uaq h THR 87 Cb 1.16 1.27 -0.28 0.00 -1.73 0.00 0.00 68.15 68.57 1uaq h THR 87 CO 0.49 0.00 -0.80 -0.22 -0.25 0.00 0.00 175.52 174.74 1uaq s LEU 88 N -6.08 2.07 0.19 3.87 2.96 -1.26 -2.40 118.68 118.03 1uaq s LEU 88 Ca -0.01 -0.32 -0.33 0.00 -0.22 0.00 0.00 54.13 53.25 1uaq s LEU 88 Cb 0.10 -0.67 -0.14 0.00 0.50 0.00 0.00 46.19 45.98 1uaq s LEU 88 CO 0.48 0.12 1.44 -0.24 -1.32 0.00 0.00 176.35 176.84 1uaq n SER 89 N 2.46 2.64 -4.76 3.68 2.88 -0.61 -4.78 113.62 115.15 1uaq n SER 89 Ca -0.15 1.12 -0.41 0.00 -1.33 0.00 0.00 58.87 58.09 1uaq n SER 89 Cb 0.55 -1.38 -0.02 0.00 -0.75 0.00 0.00 64.21 62.61 1uaq n SER 89 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 1uaq s PRO 90 N 0.19 4.27 1.20 -1.46 0.04 -1.26 -4.74 135.00 133.25 1uaq s PRO 90 Ca 0.74 2.32 -0.20 0.00 0.04 0.00 0.00 61.00 63.90 1uaq s PRO 90 Cb -0.71 -3.08 0.29 0.00 0.04 0.00 0.00 34.50 31.04 1uaq s PRO 90 CO 0.45 -0.37 1.13 0.00 0.04 0.00 0.00 177.00 178.26 1uaq h ASP 92 N -2.57 0.00 -0.10 0.00 3.32 -1.96 -1.02 116.42 114.09 1uaq h ASP 92 Ca -0.44 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 56.52 1uaq h ASP 92 Cb 1.28 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.84 1uaq h ASP 92 CO 0.32 0.11 -0.28 -0.03 -1.72 0.00 0.00 179.24 177.64 1uaq h MET 93 N 0.00 0.36 -0.15 3.56 4.05 -1.99 -1.76 114.93 119.00 1uaq h MET 93 Ca -0.00 -0.26 -0.13 0.00 -0.28 0.00 0.00 59.70 59.02 1uaq h MET 93 Cb 0.20 0.04 -0.01 0.00 -0.80 0.00 0.00 31.60 31.03 1uaq h MET 93 CO 0.01 0.88 -0.49 0.00 0.23 0.00 0.00 176.91 177.55 1uaq h THR 95 N 0.31 1.12 -0.96 0.00 2.02 -1.21 -1.47 112.91 112.73 1uaq h THR 95 Ca 0.02 -0.24 0.01 0.00 0.77 0.00 0.00 66.41 66.97 1uaq h THR 95 Cb 0.97 0.45 -0.05 0.00 -1.74 0.00 0.00 68.15 67.78 1uaq h THR 95 CO 0.08 0.12 0.63 1.23 0.37 0.00 0.00 175.52 177.96 1uaq h GLY 96 N 0.63 1.35 0.99 2.16 0.00 -0.57 -1.55 103.07 106.07 1uaq h GLY 96 Ca 0.17 -0.50 -0.04 0.00 0.00 0.00 0.00 47.33 46.96 1uaq h GLY 96 CO -0.04 0.48 0.17 0.00 0.00 0.00 0.00 176.54 177.15 1uaq h ALA 97 N 1.41 0.71 -0.89 3.60 0.00 -0.74 0.12 119.26 123.47 1uaq h ALA 97 Ca 0.36 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 1uaq h ALA 97 Cb -0.12 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 17.42 1uaq h ALA 97 CO -0.08 0.37 0.52 0.82 0.00 0.00 0.00 179.25 180.87 1uaq h ILE 98 N 0.75 1.25 -0.20 0.00 2.04 -0.76 -2.40 117.51 118.19 1uaq h ILE 98 Ca 0.17 -0.58 -0.08 0.00 1.00 0.00 0.00 64.86 65.38 1uaq h ILE 98 Cb 0.28 0.01 -0.00 0.00 -0.74 0.00 0.00 36.82 36.37 1uaq h ILE 98 CO -0.01 0.27 -0.18 0.40 0.00 0.00 0.00 178.15 178.63 1uaq h ILE 99 N 1.23 1.33 -0.34 -0.67 2.04 -1.01 -1.74 117.51 118.35 1uaq h ILE 99 Ca 0.32 -1.33 0.02 0.00 1.00 0.00 0.00 64.86 64.86 1uaq h ILE 99 Cb -0.02 1.74 -0.02 0.00 -0.74 0.00 0.00 36.82 37.78 1uaq h ILE 99 CO -0.06 0.40 0.20 -0.03 0.00 0.00 0.00 178.15 178.66 1uaq h MET 100 N 0.15 0.39 0.00 2.37 4.05 -0.58 -2.09 114.93 119.22 1uaq h MET 100 Ca 0.03 -0.02 0.00 0.00 -0.28 0.00 0.00 59.70 59.43 1uaq h MET 100 Cb 0.72 -0.09 0.00 0.00 -0.80 0.00 0.00 31.60 31.43 1uaq h MET 100 CO 0.05 0.26 0.00 0.66 0.23 0.00 0.00 176.91 178.10 1uaq n TYR 101 N -4.90 0.00 -2.58 1.39 0.53 -0.92 -4.92 117.16 105.76 1uaq n TYR 101 Ca -0.00 0.00 -0.12 0.00 -1.02 0.00 0.00 57.90 56.76 1uaq n TYR 101 Cb 0.06 -0.46 0.01 0.00 -1.03 0.00 0.00 39.34 37.92 1uaq n TYR 101 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 1uaq n GLY 102 N 1.40 -0.01 3.67 2.72 0.00 -0.72 -4.54 105.19 107.72 1uaq n GLY 102 Ca 0.08 -0.31 -0.42 0.00 0.00 0.00 0.00 46.02 45.37 1uaq n GLY 102 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1uaq s ILE 103 N -2.82 3.77 0.20 -0.61 1.01 -0.80 -4.31 121.20 117.64 1uaq s ILE 103 Ca 0.13 1.03 0.19 0.00 0.00 0.00 0.00 60.65 62.00 1uaq s ILE 103 Cb -0.06 -3.66 0.14 0.00 0.01 0.00 0.00 42.46 38.90 1uaq s ILE 103 CO 0.16 -0.06 1.76 1.55 0.00 0.00 0.00 174.94 178.36 1uaq h PRO 104 N 8.61 0.00 -5.00 2.79 0.13 -1.75 -3.45 132.00 133.33 1uaq h PRO 104 Ca -0.36 0.00 -0.46 0.00 -0.87 0.00 0.00 66.00 64.31 1uaq h PRO 104 Cb 1.16 0.00 -0.30 0.00 0.13 0.00 0.00 31.00 31.99 1uaq h PRO 104 CO 0.94 0.35 -0.80 1.03 -0.23 0.00 0.00 178.00 179.29 1uaq s ARG 105 N -3.69 1.08 -0.15 0.86 0.52 -1.23 -0.91 118.95 115.43 1uaq s ARG 105 Ca -0.00 -0.43 -0.00 0.00 -0.52 0.00 0.00 55.73 54.78 1uaq s ARG 105 Cb 0.11 -1.02 0.03 0.00 0.52 0.00 0.00 34.95 34.59 1uaq s ARG 105 CO 0.68 0.23 -0.09 0.00 0.02 0.00 0.00 175.30 176.14 1uaq s VAL 107 N 1.60 4.20 -0.18 0.00 1.01 -0.59 -1.19 120.40 125.26 1uaq s VAL 107 Ca 0.03 -0.21 -0.06 0.00 0.00 0.00 0.00 61.98 61.74 1uaq s VAL 107 Cb -0.14 -2.94 -0.04 0.00 0.00 0.00 0.00 36.38 33.26 1uaq s VAL 107 CO -0.09 0.37 0.03 -0.69 0.00 0.00 0.00 175.10 174.72 1uaq s VAL 108 N 1.40 4.46 0.05 2.92 1.01 0.14 -1.22 120.40 129.17 1uaq s VAL 108 Ca 0.05 -0.15 -0.26 0.00 0.00 0.00 0.00 61.98 61.62 1uaq s VAL 108 Cb -0.15 -3.00 -0.17 0.00 0.00 0.00 0.00 36.38 33.07 1uaq s VAL 108 CO 0.03 0.47 1.53 1.23 0.00 0.00 0.00 175.10 178.35 1uaq h GLY 109 N 6.76 -0.36 -3.81 4.51 0.00 -0.50 0.93 103.07 110.59 1uaq h GLY 109 Ca -0.35 0.13 -0.06 0.00 0.00 0.00 0.00 47.33 47.05 1uaq h GLY 109 CO 0.67 -0.13 0.07 -1.83 0.00 0.00 0.00 176.54 175.32 1uaq s GLU 110 N -5.55 1.02 -0.08 4.80 4.04 -1.01 0.25 118.70 122.17 1uaq s GLU 110 Ca -0.15 -0.07 0.13 0.00 0.04 0.00 0.00 54.97 54.92 1uaq s GLU 110 Cb 0.04 0.47 0.25 0.00 0.02 0.00 0.00 34.13 34.91 1uaq s GLU 110 CO 0.62 -0.35 1.12 0.27 -1.84 0.00 0.00 175.26 175.08 1uaq n ASN 111 N 0.62 1.25 -0.01 0.83 2.04 -1.26 -1.57 115.26 117.16 1uaq n ASN 111 Ca -0.19 -2.71 -0.20 0.00 -0.44 0.00 0.00 54.58 51.05 1uaq n ASN 111 Cb 0.59 -0.35 -0.14 0.00 -2.53 0.00 0.00 39.78 37.35 1uaq n ASN 111 CO 0.00 0.00 0.00 0.58 -0.44 0.00 0.00 177.26 177.40 1uaq h VAL 112 N 3.66 1.27 0.00 3.53 2.07 -1.99 -3.37 116.25 121.42 1uaq h VAL 112 Ca -0.04 -2.40 -0.08 0.00 0.82 0.00 0.00 66.70 65.00 1uaq h VAL 112 Cb 1.29 2.88 -0.01 0.00 -1.52 0.00 0.00 31.29 33.94 1uaq h VAL 112 CO 0.02 0.64 -0.37 0.78 0.02 0.00 0.00 177.57 178.66 1uaq h ASN 113 N -0.53 0.00 -4.45 0.57 2.35 -1.94 -3.46 115.58 108.12 1uaq h ASN 113 Ca -0.22 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.52 1uaq h ASN 113 Cb 1.54 0.00 -0.21 0.00 0.05 0.00 0.00 38.32 39.70 1uaq h ASN 113 CO 0.03 0.37 0.28 0.12 -1.65 0.00 0.00 177.43 176.59 1uaq s PHE 114 N -3.31 -0.60 -0.16 1.19 5.36 -1.26 -5.10 117.98 114.09 1uaq s PHE 114 Ca 0.02 1.17 -0.27 0.00 -0.96 0.00 0.00 56.93 56.89 1uaq s PHE 114 Cb 0.09 0.39 0.07 0.00 -0.34 0.00 0.00 43.02 43.23 1uaq s PHE 114 CO 0.70 -0.47 0.68 0.21 -1.46 0.00 0.00 175.22 174.88 1uaq s LYS 115 N -0.75 0.92 0.46 10.12 2.20 -1.26 -4.31 119.74 127.12 1uaq s LYS 115 Ca -0.06 0.63 0.03 0.00 -0.36 0.00 0.00 55.97 56.21 1uaq s LYS 115 Cb -0.01 0.44 -0.02 0.00 -1.51 0.00 0.00 37.83 36.72 1uaq s LYS 115 CO 0.05 -0.20 0.04 -1.54 -0.36 0.00 0.00 175.35 173.34 1uaq s SER 116 N -0.37 3.62 0.11 1.43 1.04 -1.26 -5.00 113.70 113.28 1uaq s SER 116 Ca -0.05 -1.63 0.16 0.00 0.48 0.00 0.00 55.95 54.91 1uaq s SER 116 Cb -0.03 0.41 0.69 0.00 0.10 0.00 0.00 66.02 67.20 1uaq s SER 116 CO 0.05 -0.83 1.49 0.29 0.98 0.00 0.00 173.24 175.22 1uaq n LYS 117 N -1.10 0.07 0.11 4.02 5.02 -1.26 -3.12 118.16 121.90 1uaq n LYS 117 Ca -0.13 0.38 -0.00 0.00 -2.02 0.00 0.00 58.31 56.54 1uaq n LYS 117 Cb 0.66 -1.66 0.28 0.00 -0.02 0.00 0.00 35.03 34.29 1uaq n LYS 117 CO 0.00 0.00 0.00 0.78 -0.52 0.00 0.00 177.40 177.66 1uaq h GLY 118 N 1.78 0.23 0.51 0.72 0.00 -1.86 -1.56 103.07 102.88 1uaq h GLY 118 Ca 0.00 -0.19 0.07 0.00 0.00 0.00 0.00 47.33 47.21 1uaq h GLY 118 CO 0.00 0.17 0.17 -2.09 0.00 0.00 0.00 176.54 174.79 1uaq h GLU 119 N 0.18 0.33 0.00 4.80 4.81 -1.74 0.09 114.58 123.06 1uaq h GLU 119 Ca 0.02 -0.02 -0.20 0.00 -0.13 0.00 0.00 59.36 59.03 1uaq h GLU 119 Cb 0.69 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.96 1uaq h GLU 119 CO 0.05 0.22 -0.97 0.87 -0.73 0.00 0.00 179.01 178.45 1uaq h LYS 120 N 0.34 0.00 -0.36 1.92 1.57 -1.77 -3.20 116.57 115.07 1uaq h LYS 120 Ca 0.24 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.97 1uaq h LYS 120 Cb 0.26 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.56 1uaq h LYS 120 CO -0.25 0.89 0.02 -0.92 -0.57 0.00 0.00 179.45 178.62 1uaq h TYR 121 N 0.00 0.58 -0.84 -1.35 3.20 -0.76 -1.16 116.97 116.63 1uaq h TYR 121 Ca -0.03 -0.05 0.06 0.00 3.14 0.00 0.00 58.73 61.85 1uaq h TYR 121 Cb 1.73 -0.17 -0.06 0.00 1.54 0.00 0.00 36.73 39.77 1uaq h TYR 121 CO 0.00 0.55 0.51 -0.07 -1.64 0.00 0.00 178.16 177.51 1uaq h LEU 122 N 0.54 0.80 -0.52 2.82 3.38 -0.98 -0.61 115.31 120.74 1uaq h LEU 122 Ca 0.12 0.02 -0.11 0.00 0.09 0.00 0.00 57.88 58.00 1uaq h LEU 122 Cb 0.31 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.90 1uaq h LEU 122 CO 0.01 0.51 -0.11 1.56 0.09 0.00 0.00 178.44 180.50 1uaq h GLN 123 N 0.93 0.99 -0.95 1.13 4.20 -1.38 -0.57 115.11 119.46 1uaq h GLN 123 Ca 0.37 -0.37 0.04 0.00 0.06 0.00 0.00 58.65 58.75 1uaq h GLN 123 Cb 0.18 -0.06 -0.06 0.00 0.30 0.00 0.00 27.48 27.85 1uaq h GLN 123 CO -0.18 1.05 0.62 1.15 -0.67 0.00 0.00 178.83 180.80 1uaq h THR 124 N 0.85 1.15 -0.02 -0.54 2.02 -0.71 -1.42 112.91 114.24 1uaq h THR 124 Ca 0.13 -0.41 0.00 0.00 0.77 0.00 0.00 66.41 66.91 1uaq h THR 124 Cb 0.67 -0.14 0.00 0.00 -1.74 0.00 0.00 68.15 66.95 1uaq h THR 124 CO 0.05 0.22 0.00 0.54 0.37 0.00 0.00 175.52 176.69 1uaq n ARG 125 N -4.45 1.08 0.00 6.66 5.12 -0.29 -4.90 116.66 119.88 1uaq n ARG 125 Ca 0.13 -0.12 0.00 0.00 -1.93 0.00 0.00 57.85 55.93 1uaq n ARG 125 Cb 0.12 -1.34 0.00 0.00 -1.16 0.00 0.00 32.46 30.08 1uaq n ARG 125 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1uaq n GLY 126 N 0.86 0.59 3.90 -0.13 0.00 -0.54 -5.06 105.19 104.82 1uaq n GLY 126 Ca 0.16 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.90 1uaq n GLY 126 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1uaq s HIS 127 N -2.00 3.53 -0.15 1.61 3.76 -0.26 -4.99 115.29 116.80 1uaq s HIS 127 Ca 0.00 0.81 -0.13 0.00 -0.15 0.00 0.00 55.06 55.58 1uaq s HIS 127 Cb 0.00 -2.28 -0.05 0.00 1.11 0.00 0.00 32.58 31.36 1uaq s HIS 127 CO 0.00 -0.18 0.28 -2.00 -0.85 0.00 0.00 174.74 171.99 1uaq s GLU 128 N -4.45 4.16 -0.16 1.40 2.12 -0.09 -4.17 118.70 117.52 1uaq s GLU 128 Ca 0.47 0.09 0.01 0.00 0.36 0.00 0.00 54.97 55.90 1uaq s GLU 128 Cb -0.10 -3.39 0.01 0.00 0.26 0.00 0.00 34.13 30.91 1uaq s GLU 128 CO 0.40 0.32 -0.19 0.08 -0.54 0.00 0.00 175.26 175.34 1uaq s VAL 129 N 0.21 2.25 -0.13 3.70 1.01 -1.26 -1.01 120.40 125.17 1uaq s VAL 129 Ca 0.17 -0.90 0.02 0.00 0.00 0.00 0.00 61.98 61.26 1uaq s VAL 129 Cb -0.13 -1.93 -0.00 0.00 0.00 0.00 0.00 36.38 34.32 1uaq s VAL 129 CO 0.04 0.53 -0.19 -0.69 0.00 0.00 0.00 175.10 174.80 1uaq s VAL 130 N 0.97 2.42 -0.28 2.92 1.01 -0.33 -5.00 120.40 122.11 1uaq s VAL 130 Ca -0.03 -0.87 -0.06 0.00 0.00 0.00 0.00 61.98 61.01 1uaq s VAL 130 Cb -0.15 -1.98 0.00 0.00 0.00 0.00 0.00 36.38 34.26 1uaq s VAL 130 CO -0.05 0.54 0.06 -0.69 0.00 0.00 0.00 175.10 174.97 1uaq s VAL 131 N 0.57 3.92 0.09 2.92 1.01 -1.26 0.24 120.40 127.89 1uaq s VAL 131 Ca -0.11 -0.63 0.02 0.00 0.00 0.00 0.00 61.98 61.26 1uaq s VAL 131 Cb -0.16 -2.98 -0.24 0.00 0.00 0.00 0.00 36.38 32.99 1uaq s VAL 131 CO 0.04 0.14 1.17 0.58 0.00 0.00 0.00 175.10 177.03 1uaq h VAL 132 N 5.82 1.56 -4.77 2.92 2.07 -0.93 -3.49 116.25 119.44 1uaq h VAL 132 Ca -0.33 -3.22 -0.23 0.00 0.82 0.00 0.00 66.70 63.74 1uaq h VAL 132 Cb 1.13 2.86 0.13 0.00 -1.52 0.00 0.00 31.29 33.90 1uaq h VAL 132 CO 0.60 0.91 -0.60 -0.67 0.02 0.00 0.00 177.57 177.84 1uaq n ASP 133 N -3.41 -3.01 -4.64 0.57 2.03 0.73 -4.96 116.55 103.84 1uaq n ASP 133 Ca -0.05 -0.48 -0.43 0.00 0.52 0.00 0.00 54.79 54.35 1uaq n ASP 133 Cb 0.98 -3.99 -0.02 0.00 -0.72 0.00 0.00 41.12 37.37 1uaq n ASP 133 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1uaq s ASP 134 N -3.81 6.89 0.48 1.67 -1.08 0.14 -4.93 116.67 116.03 1uaq s ASP 134 Ca 0.10 1.27 0.24 0.00 -0.52 0.00 0.00 52.55 53.63 1uaq s ASP 134 Cb -0.01 -2.54 1.21 0.00 -1.46 0.00 0.00 42.92 40.12 1uaq s ASP 134 CO 0.55 -0.88 1.98 -0.33 0.52 0.00 0.00 175.17 177.01 1uaq h GLU 135 N 8.33 0.00 -0.43 4.34 4.39 -1.93 -1.93 114.58 127.35 1uaq h GLU 135 Ca -0.23 0.00 -0.11 0.00 0.34 0.00 0.00 59.36 59.36 1uaq h GLU 135 Cb 1.08 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.72 1uaq h GLU 135 CO 1.01 0.18 -0.15 0.00 -1.16 0.00 0.00 179.01 178.90 1uaq h ARG 136 N 0.00 0.86 -0.27 2.33 3.08 -1.98 -0.06 114.38 118.35 1uaq h ARG 136 Ca -0.00 -0.35 -0.05 0.00 0.07 0.00 0.00 59.98 59.64 1uaq h ARG 136 Cb 0.47 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.48 1uaq h ARG 136 CO 0.02 0.99 -0.05 0.00 -1.07 0.00 0.00 179.97 179.87 1uaq h LYS 138 N 0.26 1.07 -0.33 0.00 1.57 -1.21 -2.08 116.57 115.86 1uaq h LYS 138 Ca 0.07 -0.06 -0.04 0.00 -1.87 0.00 0.00 60.65 58.75 1uaq h LYS 138 Cb 0.51 -0.24 -0.01 0.00 0.08 0.00 0.00 32.23 32.56 1uaq h LYS 138 CO 0.02 0.71 0.06 0.87 -0.57 0.00 0.00 179.45 180.54 1uaq h LYS 139 N 1.10 0.54 -0.40 3.15 1.57 -0.92 -0.87 116.57 120.75 1uaq h LYS 139 Ca 0.30 -0.14 -0.13 0.00 -1.87 0.00 0.00 60.65 58.82 1uaq h LYS 139 Cb -0.11 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.12 1uaq h LYS 139 CO -0.07 0.62 -0.26 0.97 -0.57 0.00 0.00 179.45 180.14 1uaq h ILE 140 N 0.37 1.27 -0.19 1.86 2.10 -1.35 -1.86 117.51 119.70 1uaq h ILE 140 Ca 0.10 -1.40 -0.19 0.00 1.08 0.00 0.00 64.86 64.45 1uaq h ILE 140 Cb 0.34 1.24 0.00 0.00 -1.09 0.00 0.00 36.82 37.31 1uaq h ILE 140 CO 0.01 0.47 -0.64 0.24 -1.08 0.00 0.00 178.15 177.15 1uaq h MET 141 N 0.72 0.70 -0.92 2.19 2.86 -1.34 -2.62 114.93 116.52 1uaq h MET 141 Ca 0.09 -0.50 -0.01 0.00 -2.06 0.00 0.00 59.70 57.22 1uaq h MET 141 Cb 0.79 0.08 -0.04 0.00 0.06 0.00 0.00 31.60 32.49 1uaq h MET 141 CO 0.07 1.12 0.53 -0.22 1.06 0.00 0.00 176.91 179.47 1uaq h LYS 142 N 0.52 1.27 -0.34 1.72 3.64 -1.04 -0.81 116.57 121.53 1uaq h LYS 142 Ca -0.01 -0.13 -0.02 0.00 -1.27 0.00 0.00 60.65 59.22 1uaq h LYS 142 Cb 1.23 -0.26 -0.02 0.00 -0.41 0.00 0.00 32.23 32.78 1uaq h LYS 142 CO 0.13 0.90 0.15 0.37 -2.27 0.00 0.00 179.45 178.73 1uaq h GLN 143 N 1.28 0.50 -0.55 1.90 4.15 -1.27 -0.38 115.11 120.73 1uaq h GLN 143 Ca 0.33 -0.08 -0.01 0.00 0.77 0.00 0.00 58.65 59.65 1uaq h GLN 143 Cb -0.02 -0.09 -0.03 0.00 0.21 0.00 0.00 27.48 27.56 1uaq h GLN 143 CO -0.06 0.47 0.29 0.35 -1.93 0.00 0.00 178.83 177.95 1uaq h PHE 144 N 0.41 0.77 -0.70 3.99 3.57 -1.07 -0.31 116.94 123.60 1uaq h PHE 144 Ca 0.12 -0.02 -0.06 0.00 3.53 0.00 0.00 57.97 61.53 1uaq h PHE 144 Cb 0.14 -0.24 -0.03 0.00 2.79 0.00 0.00 35.95 38.61 1uaq h PHE 144 CO -0.01 0.57 0.19 0.82 -2.23 0.00 0.00 178.31 177.65 1uaq h ILE 145 N 0.75 1.26 -0.43 1.41 2.04 -0.98 0.41 117.51 121.97 1uaq h ILE 145 Ca 0.19 -0.94 -0.12 0.00 1.00 0.00 0.00 64.86 65.00 1uaq h ILE 145 Cb 0.07 0.52 -0.01 0.00 -0.74 0.00 0.00 36.82 36.66 1uaq h ILE 145 CO -0.03 0.36 -0.20 0.44 0.00 0.00 0.00 178.15 178.72 1uaq h ASP 146 N 1.05 0.92 0.49 1.72 3.32 -0.69 -2.87 116.42 120.36 1uaq h ASP 146 Ca 0.22 -0.40 -0.30 0.00 0.02 0.00 0.00 57.03 56.57 1uaq h ASP 146 Cb 0.34 -0.25 0.01 0.00 0.22 0.00 0.00 39.33 39.65 1uaq h ASP 146 CO -0.00 1.11 -1.41 -0.33 -1.72 0.00 0.00 179.24 176.89 1uaq h GLU 147 N 0.72 0.31 -2.12 3.56 5.08 -0.83 -3.40 114.58 117.90 1uaq h GLU 147 Ca 0.10 -0.53 -0.53 0.00 -1.00 0.00 0.00 59.36 57.40 1uaq h GLU 147 Cb 0.76 0.20 -0.41 0.00 0.50 0.00 0.00 28.75 29.80 1uaq h GLU 147 CO 0.06 1.22 -0.96 0.54 -1.00 0.00 0.00 179.01 178.87 1uaq n ARG 148 N -3.53 1.87 -0.22 2.33 1.74 0.14 -4.94 116.66 114.05 1uaq n ARG 148 Ca -0.13 -3.98 0.07 0.00 -0.77 0.00 0.00 57.85 53.03 1uaq n ARG 148 Cb 1.05 -1.90 0.33 0.00 -1.02 0.00 0.00 32.46 30.92 1uaq n ARG 148 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 1uaq h PRO 149 N 3.13 0.78 -0.45 5.56 0.13 -1.66 -1.89 132.00 137.61 1uaq h PRO 149 Ca 0.11 -0.05 -0.09 0.00 -0.87 0.00 0.00 66.00 65.10 1uaq h PRO 149 Cb 0.77 -0.18 -0.02 0.00 0.13 0.00 0.00 31.00 31.71 1uaq h PRO 149 CO 0.63 0.52 -0.10 1.96 -0.23 0.00 0.00 178.00 180.78 1uaq h GLN 150 N 0.81 0.81 -0.48 0.86 1.08 -1.92 -1.14 115.11 115.13 1uaq h GLN 150 Ca 0.35 -0.27 -0.11 0.00 -1.45 0.00 0.00 58.65 57.17 1uaq h GLN 150 Cb 0.31 -0.07 -0.02 0.00 -0.05 0.00 0.00 27.48 27.65 1uaq h GLN 150 CO -0.13 0.88 -0.12 -0.44 -0.95 0.00 0.00 178.83 178.07 1uaq h ASP 151 N 0.74 0.89 -0.16 1.46 3.32 -1.79 -2.35 116.42 118.53 1uaq h ASP 151 Ca 0.13 -0.29 -0.02 0.00 0.02 0.00 0.00 57.03 56.87 1uaq h ASP 151 Cb 0.59 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.89 1uaq h ASP 151 CO 0.04 1.02 0.03 -0.25 -1.72 0.00 0.00 179.24 178.36 1uaq h TRP 152 N 0.80 0.28 -0.92 4.55 -0.00 -0.94 -2.49 115.95 117.23 1uaq h TRP 152 Ca 0.13 -0.04 0.06 0.00 -0.00 0.00 0.00 58.89 59.04 1uaq h TRP 152 Cb 0.64 -0.08 -0.06 0.00 -0.00 0.00 0.00 29.16 29.67 1uaq h TRP 152 CO 0.04 0.42 0.60 0.74 -0.00 0.00 0.00 178.44 180.24 1uaq h PHE 153 N 0.06 1.08 -0.62 2.65 0.05 -1.14 -0.27 116.94 118.75 1uaq h PHE 153 Ca 0.05 0.03 -0.05 0.00 3.82 0.00 0.00 57.97 61.82 1uaq h PHE 153 Cb 0.29 -0.36 -0.03 0.00 2.00 0.00 0.00 35.95 37.86 1uaq h PHE 153 CO 0.01 0.58 0.19 1.49 -0.18 0.00 0.00 178.31 180.40 1uaq h GLU 154 N 1.07 0.93 0.00 1.51 4.81 -1.27 0.35 114.58 121.99 1uaq h GLU 154 Ca 0.39 -0.18 -0.01 0.00 -0.13 0.00 0.00 59.36 59.42 1uaq h GLU 154 Cb 0.16 -0.14 -0.00 0.00 0.63 0.00 0.00 28.75 29.39 1uaq h GLU 154 CO -0.14 0.81 -0.07 0.22 -0.73 0.00 0.00 179.01 179.10 1uaq h ASP 155 N 0.90 0.00 -0.26 1.04 -0.00 -0.59 -1.66 116.42 115.85 1uaq h ASP 155 Ca 0.20 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.23 1uaq h ASP 155 Cb 0.27 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.60 1uaq h ASP 155 CO -0.01 0.07 0.00 2.30 -0.00 0.00 0.00 179.24 181.60 1uaq n ILE 156 N -3.29 2.03 -2.53 2.25 -5.35 -0.89 -4.97 119.36 106.61 1uaq n ILE 156 Ca -0.01 -1.73 -0.18 0.00 -0.27 0.00 0.00 62.75 60.56 1uaq n ILE 156 Cb 0.26 -0.11 0.01 0.00 -1.74 0.00 0.00 39.64 38.05 1uaq n ILE 156 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1uaq n GLY 157 N -0.37 -0.33 0.58 3.28 0.00 -0.63 -5.06 105.19 102.66 1uaq n GLY 157 Ca 0.19 -0.11 0.07 0.00 0.00 0.00 0.00 46.02 46.17 1uaq n GLY 157 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50