#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1naq s ASN 8 N 0.00 6.63 0.28 4.04 0.01 -1.26 -5.02 114.94 119.62 1naq s ASN 8 Ca 0.00 2.59 -0.24 0.00 -0.71 0.00 0.00 52.86 54.50 1naq s ASN 8 Cb 0.00 -2.60 -0.09 0.00 0.41 0.00 0.00 41.25 38.97 1naq s ASN 8 CO 0.00 -0.77 0.86 -0.89 -1.51 0.00 0.00 177.10 174.79 1naq s THR 9 N 0.84 4.33 0.63 1.60 2.01 -1.26 -5.03 115.64 118.76 1naq s THR 9 Ca 0.67 1.65 -0.18 0.00 0.31 0.00 0.00 61.69 64.13 1naq s THR 9 Cb -0.42 -3.97 -0.02 0.00 0.01 0.00 0.00 72.50 68.09 1naq s THR 9 CO 0.34 0.19 1.27 0.00 -0.69 0.00 0.00 174.62 175.73 1naq n ALA 10 N 0.69 1.11 -2.33 7.40 0.00 -1.26 -4.82 120.51 121.29 1naq n ALA 10 Ca 0.00 0.01 -0.26 0.00 0.00 0.00 0.00 53.44 53.19 1naq n ALA 10 Cb 0.50 -2.31 0.00 0.00 0.00 0.00 0.00 19.45 17.65 1naq n ALA 10 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1naq s SER 11 N -1.32 6.12 0.16 0.00 1.04 -1.26 -1.21 113.70 117.23 1naq s SER 11 Ca 0.81 0.72 -0.03 0.00 0.48 0.00 0.00 55.95 57.93 1naq s SER 11 Cb -0.39 -2.04 -0.03 0.00 0.10 0.00 0.00 66.02 63.66 1naq s SER 11 CO 0.42 -0.60 0.13 0.68 0.98 0.00 0.00 173.24 174.84 1naq s VAL 12 N -2.67 0.07 -0.11 5.02 -7.23 -0.16 -4.24 120.40 111.08 1naq s VAL 12 Ca 0.47 -1.82 0.01 0.00 -1.81 0.00 0.00 61.98 58.83 1naq s VAL 12 Cb -0.10 -2.12 -0.01 0.00 0.56 0.00 0.00 36.38 34.70 1naq s VAL 12 CO 0.42 -0.31 -0.17 -0.69 -0.31 0.00 0.00 175.10 174.05 1naq s VAL 13 N -4.06 2.75 -0.19 1.32 1.01 -1.06 -2.56 120.40 117.61 1naq s VAL 13 Ca 0.26 -0.78 -0.00 0.00 0.00 0.00 0.00 61.98 61.46 1naq s VAL 13 Cb 0.06 -2.12 0.01 0.00 0.00 0.00 0.00 36.38 34.34 1naq s VAL 13 CO 0.04 0.54 -0.16 -0.69 0.00 0.00 0.00 175.10 174.83 1naq s VAL 14 N 0.26 2.36 0.06 2.92 1.01 -0.50 -0.32 120.40 126.19 1naq s VAL 14 Ca -0.11 -0.84 -0.21 0.00 0.00 0.00 0.00 61.98 60.82 1naq s VAL 14 Cb -0.16 -2.02 -0.06 0.00 0.00 0.00 0.00 36.38 34.14 1naq s VAL 14 CO 0.06 0.51 0.61 -0.76 0.00 0.00 0.00 175.10 175.52 1naq s LEU 15 N 1.33 4.50 0.26 3.92 1.43 -0.05 -0.86 118.68 129.21 1naq s LEU 15 Ca 0.05 1.29 -0.01 0.00 -1.03 0.00 0.00 54.13 54.42 1naq s LEU 15 Cb -0.13 -2.96 -0.03 0.00 0.03 0.00 0.00 46.19 43.10 1naq s LEU 15 CO -0.11 0.21 0.28 0.00 0.23 0.00 0.00 176.35 176.96 1naq s THR 17 N -3.80 1.09 0.17 0.00 2.01 -1.24 -0.04 115.64 113.82 1naq s THR 17 Ca 0.35 -0.51 0.09 0.00 0.31 0.00 0.00 61.69 61.93 1naq s THR 17 Cb 0.04 -0.97 -0.04 0.00 0.01 0.00 0.00 72.50 71.54 1naq s THR 17 CO 0.16 0.33 -0.19 0.00 -0.69 0.00 0.00 174.62 174.23 1naq s ALA 18 N 0.29 2.08 0.21 7.40 0.00 -0.29 -4.71 121.76 126.73 1naq s ALA 18 Ca -0.07 -1.50 0.09 0.00 0.00 0.00 0.00 51.96 50.49 1naq s ALA 18 Cb -0.12 -0.21 0.15 0.00 0.00 0.00 0.00 23.12 22.94 1naq s ALA 18 CO 0.02 0.27 1.49 -1.00 0.00 0.00 0.00 175.76 176.54 1naq h PRO 19 N 3.28 0.00 -3.52 0.00 0.13 -1.90 0.14 132.00 130.14 1naq h PRO 19 Ca -0.43 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.63 1naq h PRO 19 Cb 1.21 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.27 1naq h PRO 19 CO 0.50 0.76 -0.00 0.16 -0.23 0.00 0.00 178.00 179.19 1naq s ASP 20 N -6.79 0.11 0.14 1.44 1.47 -1.26 -4.50 116.67 107.29 1naq s ASP 20 Ca -0.00 -1.03 -0.12 0.00 1.18 0.00 0.00 52.55 52.57 1naq s ASP 20 Cb 0.12 0.68 -0.00 0.00 -0.34 0.00 0.00 42.92 43.37 1naq s ASP 20 CO 0.78 -1.31 1.56 -0.33 0.68 0.00 0.00 175.17 176.55 1naq h GLU 21 N 2.13 0.86 -0.56 2.11 5.08 -1.97 -1.95 114.58 120.28 1naq h GLU 21 Ca -0.26 -0.32 -0.08 0.00 -1.00 0.00 0.00 59.36 57.70 1naq h GLU 21 Cb 1.25 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 30.42 1naq h GLU 21 CO 0.35 0.95 0.04 0.00 -1.00 0.00 0.00 179.01 179.36 1naq h ALA 22 N 0.88 1.01 -0.21 3.43 0.00 -1.99 0.48 119.26 122.86 1naq h ALA 22 Ca 0.12 -0.27 -0.20 0.00 0.00 0.00 0.00 54.91 54.56 1naq h ALA 22 Cb 0.63 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1naq h ALA 22 CO 0.04 0.62 -0.65 0.00 0.00 0.00 0.00 179.25 179.26 1naq h THR 23 N 0.87 1.29 -0.70 0.00 1.03 -1.97 -1.85 112.91 111.59 1naq h THR 23 Ca 0.17 -1.86 0.08 0.00 -0.01 0.00 0.00 66.41 64.79 1naq h THR 23 Cb 0.46 1.81 -0.07 0.00 -1.07 0.00 0.00 68.15 69.28 1naq h THR 23 CO 0.02 0.59 0.36 0.00 -0.01 0.00 0.00 175.52 176.48 1naq h ALA 24 N 0.68 0.95 -0.36 0.00 0.00 -1.18 -0.09 119.26 119.26 1naq h ALA 24 Ca -0.02 0.04 -0.13 0.00 0.00 0.00 0.00 54.91 54.80 1naq h ALA 24 Cb 1.26 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 1naq h ALA 24 CO 0.14 -0.01 -0.31 1.96 0.00 0.00 0.00 179.25 181.02 1naq h GLN 25 N 0.63 0.78 -0.24 0.00 4.20 -0.74 -0.81 115.11 118.93 1naq h GLN 25 Ca 0.33 -0.37 -0.08 0.00 0.06 0.00 0.00 58.65 58.60 1naq h GLN 25 Cb 0.31 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.07 1naq h GLN 25 CO -0.24 0.99 -0.16 0.22 -0.67 0.00 0.00 178.83 178.97 1naq h ASP 26 N 0.66 0.56 -0.57 1.46 3.58 -0.95 -0.76 116.42 120.40 1naq h ASP 26 Ca 0.07 -0.44 -0.02 0.00 0.42 0.00 0.00 57.03 57.06 1naq h ASP 26 Cb 0.85 -0.16 -0.03 0.00 1.72 0.00 0.00 39.33 41.72 1naq h ASP 26 CO 0.07 0.88 0.26 0.25 -2.88 0.00 0.00 179.24 177.83 1naq h LEU 27 N 0.25 0.76 -0.49 2.28 5.85 -0.92 -1.58 115.31 121.45 1naq h LEU 27 Ca 0.05 -0.14 0.02 0.00 0.84 0.00 0.00 57.88 58.64 1naq h LEU 27 Cb 0.69 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.49 1naq h LEU 27 CO 0.04 0.69 0.31 0.00 -0.34 0.00 0.00 178.44 179.14 1naq h ALA 28 N 1.10 0.62 -0.76 1.25 0.00 -0.99 -1.35 119.26 119.15 1naq h ALA 28 Ca 0.19 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 55.04 1naq h ALA 28 Cb 0.14 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 1naq h ALA 28 CO -0.02 0.02 0.28 0.00 0.00 0.00 0.00 179.25 179.53 1naq h ALA 29 N 1.20 1.06 0.51 0.00 0.00 -0.69 -1.09 119.26 120.25 1naq h ALA 29 Ca 0.19 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 1naq h ALA 29 Cb -0.02 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.47 1naq h ALA 29 CO -0.07 0.65 -0.26 0.87 0.00 0.00 0.00 179.25 180.45 1naq h LYS 30 N 1.11 -0.68 -0.02 0.00 1.57 -1.01 -0.24 116.57 117.29 1naq h LYS 30 Ca 0.25 0.05 -0.06 0.00 -1.87 0.00 0.00 60.65 59.01 1naq h LYS 30 Cb 0.24 0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.70 1naq h LYS 30 CO -0.02 -0.45 -0.29 -0.39 -0.57 0.00 0.00 179.45 177.73 1naq h VAL 31 N -0.71 1.22 -0.20 0.50 -1.51 -1.09 -1.27 116.25 113.21 1naq h VAL 31 Ca -0.07 -1.04 -0.15 0.00 -1.23 0.00 0.00 66.70 64.21 1naq h VAL 31 Cb 0.55 1.53 0.00 0.00 -2.13 0.00 0.00 31.29 31.24 1naq h VAL 31 CO 0.10 0.30 -0.45 -0.07 -1.23 0.00 0.00 177.57 176.23 1naq h LEU 32 N 0.04 0.73 -0.55 4.19 3.38 -1.17 -0.93 115.31 121.00 1naq h LEU 32 Ca 0.00 -0.56 0.03 0.00 0.09 0.00 0.00 57.88 57.44 1naq h LEU 32 Cb 0.54 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 41.04 1naq h LEU 32 CO 0.04 1.16 0.32 0.00 0.09 0.00 0.00 178.44 180.05 1naq h ALA 33 N 0.59 0.70 0.00 1.53 0.00 -0.65 -2.14 119.26 119.29 1naq h ALA 33 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1naq h ALA 33 Cb 1.06 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.69 1naq h ALA 33 CO 0.10 0.03 0.00 0.39 0.00 0.00 0.00 179.25 179.77 1naq n GLU 34 N -4.78 0.12 -3.67 0.00 1.02 -0.51 -4.88 120.64 107.93 1naq n GLU 34 Ca 0.04 0.21 -0.25 0.00 -0.02 0.00 0.00 57.16 57.14 1naq n GLU 34 Cb 0.08 -1.50 0.07 0.00 -0.02 0.00 0.00 31.44 30.07 1naq n GLU 34 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1naq n LYS 35 N -1.28 -7.30 -0.00 3.49 5.02 -0.80 -4.92 118.16 112.36 1naq n LYS 35 Ca 0.04 0.77 0.10 0.00 -2.02 0.00 0.00 58.31 57.21 1naq n LYS 35 Cb 0.07 -5.78 -0.13 0.00 -0.02 0.00 0.00 35.03 29.16 1naq n LYS 35 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1naq n LEU 36 N -4.88 0.56 -3.91 -0.35 4.77 -0.37 -4.60 117.00 108.21 1naq n LEU 36 Ca -0.00 -0.26 -0.10 0.00 -0.03 0.00 0.00 56.01 55.62 1naq n LEU 36 Cb 0.56 -0.01 -0.10 0.00 -2.33 0.00 0.00 43.42 41.54 1naq n LEU 36 CO 0.67 0.13 -0.22 0.00 -1.33 0.00 0.00 177.39 176.65 1naq s ALA 37 N -3.23 -0.14 -0.08 -1.18 0.00 -1.24 -4.62 121.76 111.27 1naq s ALA 37 Ca 0.01 -0.39 0.04 0.00 0.00 0.00 0.00 51.96 51.63 1naq s ALA 37 Cb 0.15 0.18 -0.24 0.00 0.00 0.00 0.00 23.12 23.20 1naq s ALA 37 CO 0.88 -0.25 0.50 0.00 0.00 0.00 0.00 175.76 176.90 1naq n ALA 38 N 1.18 1.23 -3.18 0.00 0.00 0.55 -4.58 120.51 115.71 1naq n ALA 38 Ca -0.21 -0.71 -0.13 0.00 0.00 0.00 0.00 53.44 52.39 1naq n ALA 38 Cb 0.57 -0.75 -0.10 0.00 0.00 0.00 0.00 19.45 19.17 1naq n ALA 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1naq s ALA 40 N -0.55 1.48 -0.11 0.00 0.00 -1.26 -1.07 121.76 120.25 1naq s ALA 40 Ca -0.06 -0.55 0.02 0.00 0.00 0.00 0.00 51.96 51.37 1naq s ALA 40 Cb -0.04 -0.63 -0.01 0.00 0.00 0.00 0.00 23.12 22.44 1naq s ALA 40 CO 0.02 0.15 -0.19 0.99 0.00 0.00 0.00 175.76 176.73 1naq s THR 41 N 0.59 2.53 -0.07 0.00 2.01 -0.59 -4.99 115.64 115.12 1naq s THR 41 Ca -0.16 -0.85 0.04 0.00 0.31 0.00 0.00 61.69 61.03 1naq s THR 41 Cb -0.16 -2.01 -0.02 0.00 0.01 0.00 0.00 72.50 70.31 1naq s THR 41 CO 0.05 0.55 -0.19 -0.76 -0.69 0.00 0.00 174.62 173.58 1naq s LEU 42 N 0.29 2.45 -0.51 4.42 1.43 -1.26 -0.37 118.68 125.14 1naq s LEU 42 Ca -0.14 -0.35 0.04 0.00 -1.03 0.00 0.00 54.13 52.64 1naq s LEU 42 Cb -0.17 -1.49 0.14 0.00 0.03 0.00 0.00 46.19 44.70 1naq s LEU 42 CO 0.07 0.27 0.27 -0.63 0.23 0.00 0.00 176.35 176.56 1naq s ILE 43 N -0.30 2.23 0.84 -0.59 1.01 -0.21 -4.99 121.20 119.19 1naq s ILE 43 Ca 0.01 -3.16 -0.12 0.00 0.00 0.00 0.00 60.65 57.38 1naq s ILE 43 Cb -0.13 -2.54 0.10 0.00 0.01 0.00 0.00 42.46 39.90 1naq s ILE 43 CO 0.03 -0.85 1.17 -2.16 0.00 0.00 0.00 174.94 173.12 1naq s PRO 44 N -0.19 1.70 -0.04 2.79 0.04 -1.26 -2.41 135.00 135.63 1naq s PRO 44 Ca 0.18 0.17 0.00 0.00 0.04 0.00 0.00 61.00 61.39 1naq s PRO 44 Cb -0.23 -1.91 0.00 0.00 0.04 0.00 0.00 34.50 32.39 1naq s PRO 44 CO -0.02 -1.79 0.00 0.41 0.04 0.00 0.00 177.00 175.64 1naq n GLY 45 N -2.96 0.46 3.77 0.56 0.00 -1.20 -4.95 105.19 100.87 1naq n GLY 45 Ca 0.08 -0.15 -0.31 0.00 0.00 0.00 0.00 46.02 45.64 1naq n GLY 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1naq s ALA 46 N -1.92 2.18 -0.04 4.61 0.00 -1.01 -4.93 121.76 120.65 1naq s ALA 46 Ca 0.00 0.10 0.02 0.00 0.00 0.00 0.00 51.96 52.08 1naq s ALA 46 Cb 0.00 -3.22 0.01 0.00 0.00 0.00 0.00 23.12 19.91 1naq s ALA 46 CO 0.00 -1.79 -0.09 0.99 0.00 0.00 0.00 175.76 174.87 1naq s THR 47 N -2.97 0.85 -0.01 0.00 2.01 -1.26 -1.28 115.64 112.97 1naq s THR 47 Ca 0.61 -0.36 0.04 0.00 0.31 0.00 0.00 61.69 62.29 1naq s THR 47 Cb -0.16 -0.78 -0.03 0.00 0.01 0.00 0.00 72.50 71.54 1naq s THR 47 CO 0.56 0.28 -0.12 -0.44 -0.69 0.00 0.00 174.62 174.20 1naq s SER 48 N 0.45 4.22 0.01 3.53 0.01 -0.42 -4.95 113.70 116.55 1naq s SER 48 Ca -0.08 -0.22 0.08 0.00 1.31 0.00 0.00 55.95 57.04 1naq s SER 48 Cb -0.12 -0.89 -0.02 0.00 0.21 0.00 0.00 66.02 65.19 1naq s SER 48 CO 0.01 0.31 -0.24 -0.76 0.41 0.00 0.00 173.24 172.97 1naq s LEU 49 N -1.12 2.11 -0.17 2.44 1.02 -1.26 -1.64 118.68 120.06 1naq s LEU 49 Ca 0.14 -0.50 -0.30 0.00 0.02 0.00 0.00 54.13 53.49 1naq s LEU 49 Cb -0.11 -1.19 0.14 0.00 0.02 0.00 0.00 46.19 45.05 1naq s LEU 49 CO 0.04 0.26 1.09 -0.72 0.02 0.00 0.00 176.35 177.04 1naq s TYR 50 N -0.68 -0.26 0.15 0.29 -0.85 -0.86 -5.01 117.35 110.13 1naq s TYR 50 Ca 0.10 0.38 -0.26 0.00 -0.52 0.00 0.00 57.07 56.77 1naq s TYR 50 Cb -0.09 0.48 -0.08 0.00 0.38 0.00 0.00 41.96 42.65 1naq s TYR 50 CO 0.01 -0.28 0.79 0.71 -1.52 0.00 0.00 175.55 175.26 1naq s TYR 51 N -1.50 3.88 -0.06 -3.49 1.51 -1.26 -0.95 117.35 115.49 1naq s TYR 51 Ca 0.03 1.63 -0.00 0.00 -1.01 0.00 0.00 57.07 57.72 1naq s TYR 51 Cb -0.01 -2.80 0.03 0.00 -0.11 0.00 0.00 41.96 39.07 1naq s TYR 51 CO -0.02 0.47 -0.01 -0.46 -1.11 0.00 0.00 175.55 174.41 1naq s TRP 52 N -0.94 0.67 -1.47 2.71 -0.00 0.64 -4.83 118.94 115.72 1naq s TRP 52 Ca 0.37 -0.17 -0.07 0.00 -0.00 0.00 0.00 56.10 56.23 1naq s TRP 52 Cb -0.23 -0.73 0.03 0.00 -0.00 0.00 0.00 33.47 32.54 1naq s TRP 52 CO 0.26 -0.27 0.62 0.39 -0.00 0.00 0.00 176.95 177.95 1naq n GLU 53 N 4.71 -4.66 -0.92 5.86 -0.58 -1.26 -1.50 120.64 122.29 1naq n GLU 53 Ca -0.14 0.77 0.00 0.00 -0.42 0.00 0.00 57.16 57.36 1naq n GLU 53 Cb 0.50 -5.60 0.00 0.00 -0.57 0.00 0.00 31.44 25.78 1naq n GLU 53 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1naq n GLY 54 N -1.46 0.79 3.38 0.62 0.00 -1.26 -5.02 105.19 102.24 1naq n GLY 54 Ca -0.07 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.63 1naq n GLY 54 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1naq s LYS 55 N -0.08 2.58 -0.20 1.61 1.02 -0.56 -5.08 119.74 119.03 1naq s LYS 55 Ca 0.00 -0.79 -0.29 0.00 0.02 0.00 0.00 55.97 54.91 1naq s LYS 55 Cb 0.00 -2.30 -0.02 0.00 -0.52 0.00 0.00 37.83 34.99 1naq s LYS 55 CO 0.00 0.49 1.42 -1.17 -0.92 0.00 0.00 175.35 175.17 1naq s LEU 56 N -0.40 4.04 0.06 3.17 2.96 -1.26 -0.26 118.68 126.99 1naq s LEU 56 Ca 0.04 1.61 0.04 0.00 -0.22 0.00 0.00 54.13 55.59 1naq s LEU 56 Cb -0.12 -3.54 -0.04 0.00 0.50 0.00 0.00 46.19 42.99 1naq s LEU 56 CO 0.02 -1.01 -0.00 -1.61 -1.32 0.00 0.00 176.35 172.43 1naq s GLU 57 N 4.08 2.63 -0.06 1.98 0.41 -0.12 -4.97 118.70 122.64 1naq s GLU 57 Ca 0.62 -0.76 -0.01 0.00 -0.41 0.00 0.00 54.97 54.41 1naq s GLU 57 Cb -0.23 -2.58 0.03 0.00 -1.78 0.00 0.00 34.13 29.57 1naq s GLU 57 CO 0.23 0.57 0.01 -1.14 -0.49 0.00 0.00 175.26 174.44 1naq s GLN 58 N -2.04 0.47 0.04 1.61 0.74 -1.26 -2.03 119.66 117.19 1naq s GLN 58 Ca 0.24 0.13 -0.05 0.00 0.05 0.00 0.00 55.36 55.73 1naq s GLN 58 Cb -0.12 -0.81 -0.01 0.00 1.10 0.00 0.00 33.01 33.17 1naq s GLN 58 CO 0.15 -0.26 0.08 -1.21 -0.55 0.00 0.00 175.29 173.50 1naq s GLU 59 N 1.77 0.57 0.29 1.67 0.41 -0.65 -5.00 118.70 117.77 1naq s GLU 59 Ca 0.01 -0.77 -0.29 0.00 -0.41 0.00 0.00 54.97 53.51 1naq s GLU 59 Cb -0.13 0.22 -0.10 0.00 -1.78 0.00 0.00 34.13 32.35 1naq s GLU 59 CO -0.04 -0.14 1.23 0.71 -0.49 0.00 0.00 175.26 176.54 1naq s TYR 60 N -2.61 3.27 0.10 1.61 2.02 -1.26 -1.30 117.35 119.18 1naq s TYR 60 Ca -0.05 1.48 -0.01 0.00 -0.37 0.00 0.00 57.07 58.12 1naq s TYR 60 Cb -0.01 -3.53 -0.04 0.00 -0.40 0.00 0.00 41.96 37.98 1naq s TYR 60 CO -0.05 -1.40 0.01 -1.21 -1.57 0.00 0.00 175.55 171.33 1naq s GLU 61 N -1.34 0.80 -0.21 -0.62 0.41 -0.40 -4.86 118.70 112.47 1naq s GLU 61 Ca 0.49 -1.35 -0.03 0.00 -0.41 0.00 0.00 54.97 53.67 1naq s GLU 61 Cb -0.36 0.18 -0.01 0.00 -1.78 0.00 0.00 34.13 32.16 1naq s GLU 61 CO 0.46 -0.18 -0.06 0.08 -0.49 0.00 0.00 175.26 175.06 1naq s VAL 62 N -3.96 3.23 -0.22 2.63 1.01 0.48 -2.39 120.40 121.17 1naq s VAL 62 Ca 0.17 -0.55 -0.26 0.00 0.00 0.00 0.00 61.98 61.34 1naq s VAL 62 Cb 0.08 -2.45 -0.00 0.00 0.00 0.00 0.00 36.38 34.00 1naq s VAL 62 CO -0.03 0.44 0.91 -1.58 0.00 0.00 0.00 175.10 174.84 1naq s GLN 63 N 1.38 4.23 -0.07 2.72 2.00 -1.01 -1.14 119.66 127.77 1naq s GLN 63 Ca 0.05 1.11 -0.06 0.00 -2.00 0.00 0.00 55.36 54.46 1naq s GLN 63 Cb -0.14 -3.63 -0.04 0.00 0.80 0.00 0.00 33.01 30.00 1naq s GLN 63 CO -0.04 -0.52 0.17 -1.64 -0.50 0.00 0.00 175.29 172.76 1naq s MET 64 N 2.83 3.46 -0.22 1.67 -1.94 0.95 -1.04 119.30 125.00 1naq s MET 64 Ca 0.39 -0.18 -0.00 0.00 -1.71 0.00 0.00 55.69 54.19 1naq s MET 64 Cb -0.15 -3.15 0.06 0.00 2.01 0.00 0.00 34.83 33.59 1naq s MET 64 CO 0.08 0.74 -0.02 0.42 -0.01 0.00 0.00 175.02 176.23 1naq s ILE 65 N -1.14 1.19 -0.15 2.53 1.01 0.50 -2.28 121.20 122.86 1naq s ILE 65 Ca 0.20 -1.01 -0.04 0.00 0.00 0.00 0.00 60.65 59.80 1naq s ILE 65 Cb -0.12 -1.54 -0.03 0.00 0.01 0.00 0.00 42.46 40.77 1naq s ILE 65 CO 0.10 -0.15 -0.01 -0.76 0.00 0.00 0.00 174.94 174.12 1naq s LEU 66 N 1.55 3.43 -0.19 2.97 1.43 -0.04 -1.55 118.68 126.28 1naq s LEU 66 Ca -0.04 -0.04 -0.04 0.00 -1.03 0.00 0.00 54.13 52.97 1naq s LEU 66 Cb -0.18 -1.83 -0.02 0.00 0.03 0.00 0.00 46.19 44.19 1naq s LEU 66 CO -0.07 0.20 -0.02 -0.54 0.23 0.00 0.00 176.35 176.15 1naq s LYS 67 N 0.18 3.61 0.18 1.70 1.02 -0.23 -1.41 119.74 124.79 1naq s LYS 67 Ca -0.00 -0.53 -0.01 0.00 0.02 0.00 0.00 55.97 55.45 1naq s LYS 67 Cb -0.13 -3.02 0.00 0.00 -0.52 0.00 0.00 37.83 34.16 1naq s LYS 67 CO 0.02 0.07 0.24 -2.37 -0.92 0.00 0.00 175.35 172.40 1naq n THR 68 N 4.05 0.00 -3.60 2.17 5.66 -1.06 -0.33 114.28 121.17 1naq n THR 68 Ca -0.17 -0.90 -0.20 0.00 -3.05 0.00 0.00 64.05 59.73 1naq n THR 68 Cb 0.52 0.55 -0.02 0.00 -1.55 0.00 0.00 70.33 69.83 1naq n THR 68 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 1naq s THR 69 N -2.62 3.95 0.50 1.09 -4.23 -1.26 -0.98 115.64 112.08 1naq s THR 69 Ca 0.15 -1.12 0.17 0.00 -1.18 0.00 0.00 61.69 59.71 1naq s THR 69 Cb -0.00 -3.35 0.25 0.00 1.34 0.00 0.00 72.50 70.74 1naq s THR 69 CO 0.10 -0.17 2.11 -0.37 -0.54 0.00 0.00 174.62 175.76 1naq h VAL 70 N 1.02 0.97 0.00 2.29 -1.51 -1.44 -2.06 116.25 115.52 1naq h VAL 70 Ca -0.46 -0.20 -0.03 0.00 -1.23 0.00 0.00 66.70 64.78 1naq h VAL 70 Cb 1.25 1.11 -0.00 0.00 -2.13 0.00 0.00 31.29 31.52 1naq h VAL 70 CO 0.55 0.06 -0.12 0.28 -1.23 0.00 0.00 177.57 177.11 1naq h SER 71 N 0.00 0.00 -0.07 4.19 0.02 -1.95 -3.07 113.55 112.67 1naq h SER 71 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1naq h SER 71 Cb 0.11 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.65 1naq h SER 71 CO 0.01 0.12 0.00 1.41 -1.14 0.00 0.00 176.83 177.23 1naq n HIS 72 N -3.45 0.08 -0.07 3.45 -0.00 -0.81 -4.72 115.22 109.70 1naq n HIS 72 Ca -0.01 -0.08 -0.07 0.00 -0.00 0.00 0.00 57.72 57.56 1naq n HIS 72 Cb 0.28 -0.00 -0.01 0.00 -0.00 0.00 0.00 29.99 30.26 1naq n HIS 72 CO 0.00 0.00 0.00 0.37 -0.00 0.00 0.00 176.34 176.71 1naq h GLN 73 N 2.26 0.02 -0.26 -0.41 4.15 -1.37 -1.33 115.11 118.17 1naq h GLN 73 Ca 0.00 -0.00 -0.09 0.00 0.77 0.00 0.00 58.65 59.33 1naq h GLN 73 Cb 0.53 -0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.21 1naq h GLN 73 CO 0.00 0.01 -0.19 0.37 -1.93 0.00 0.00 178.83 177.10 1naq h GLN 74 N 0.02 0.59 -0.84 1.69 4.15 -1.84 -1.49 115.11 117.40 1naq h GLN 74 Ca 0.14 -0.29 0.04 0.00 0.77 0.00 0.00 58.65 59.31 1naq h GLN 74 Cb 0.20 -0.00 -0.05 0.00 0.21 0.00 0.00 27.48 27.83 1naq h GLN 74 CO -0.27 0.87 0.53 0.00 -1.93 0.00 0.00 178.83 178.03 1naq h ALA 75 N 0.71 1.11 0.14 3.38 0.00 -1.85 -0.07 119.26 122.68 1naq h ALA 75 Ca 0.05 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.94 1naq h ALA 75 Cb 0.73 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 1naq h ALA 75 CO 0.05 0.35 -0.17 1.25 0.00 0.00 0.00 179.25 180.72 1naq h LEU 76 N 1.02 -0.47 -0.77 0.00 5.85 -1.13 -1.11 115.31 118.70 1naq h LEU 76 Ca 0.34 0.05 0.06 0.00 0.84 0.00 0.00 57.88 59.17 1naq h LEU 76 Cb 0.04 0.17 -0.06 0.00 0.37 0.00 0.00 40.66 41.18 1naq h LEU 76 CO -0.13 -0.26 0.45 -0.07 -0.34 0.00 0.00 178.44 178.10 1naq h LEU 77 N -0.36 0.69 -0.61 2.25 4.07 -0.96 -1.39 115.31 119.00 1naq h LEU 77 Ca 0.01 0.03 -0.09 0.00 0.08 0.00 0.00 57.88 57.91 1naq h LEU 77 Cb 0.36 -0.11 -0.02 0.00 1.08 0.00 0.00 40.66 41.96 1naq h LEU 77 CO -0.07 0.44 0.03 -0.33 -1.08 0.00 0.00 178.44 177.43 1naq h GLU 78 N 0.82 1.06 -0.54 1.13 5.08 -0.81 -1.03 114.58 120.30 1naq h GLU 78 Ca 0.34 -0.32 -0.05 0.00 -1.00 0.00 0.00 59.36 58.34 1naq h GLU 78 Cb 0.20 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.32 1naq h GLU 78 CO -0.19 1.02 0.16 0.00 -1.00 0.00 0.00 179.01 179.00 1naq h LEU 80 N 0.74 0.72 0.19 0.00 3.38 -1.06 -2.40 115.31 116.89 1naq h LEU 80 Ca 0.17 -0.14 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 1naq h LEU 80 Cb 0.29 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.86 1naq h LEU 80 CO -0.00 0.75 -0.09 0.50 0.09 0.00 0.00 178.44 179.68 1naq h LYS 81 N 0.73 -0.25 -0.97 1.13 3.64 -1.11 -2.62 116.57 117.12 1naq h LYS 81 Ca 0.16 0.02 0.22 0.00 -1.27 0.00 0.00 60.65 59.77 1naq h LYS 81 Cb 0.35 0.06 -0.12 0.00 -0.41 0.00 0.00 32.23 32.10 1naq h LYS 81 CO 0.01 0.12 0.54 0.77 -2.27 0.00 0.00 179.45 178.62 1naq h SER 82 N -0.69 0.61 0.29 4.20 0.02 -1.16 -2.25 113.55 114.58 1naq h SER 82 Ca -0.03 0.13 -0.17 0.00 -0.84 0.00 0.00 61.79 60.88 1naq h SER 82 Cb 0.49 0.04 -0.01 0.00 0.14 0.00 0.00 62.40 63.06 1naq h SER 82 CO 0.04 0.12 -0.70 0.45 -1.14 0.00 0.00 176.83 175.60 1naq h HIS 83 N 0.58 0.48 -3.00 3.45 3.86 -1.40 -3.47 115.15 115.65 1naq h HIS 83 Ca 0.60 -0.21 -0.57 0.00 -1.16 0.00 0.00 60.37 59.04 1naq h HIS 83 Cb 1.09 -0.08 0.09 0.00 1.06 0.00 0.00 27.41 29.57 1naq h HIS 83 CO -0.04 0.94 0.64 1.58 0.86 0.00 0.00 177.93 181.91 1naq n HIS 84 N -3.84 2.35 0.33 2.45 -0.00 -0.85 -4.85 115.22 110.82 1naq n HIS 84 Ca -0.04 0.43 0.21 0.00 -0.00 0.00 0.00 57.72 58.32 1naq n HIS 84 Cb 0.69 -2.48 1.11 0.00 -0.00 0.00 0.00 29.99 29.31 1naq n HIS 84 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.34 174.99 1naq h PRO 85 N 3.84 0.00 0.00 1.57 0.11 -1.90 -0.72 132.00 134.90 1naq h PRO 85 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1naq h PRO 85 Cb 1.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 1naq h PRO 85 CO 0.73 0.00 -0.17 0.66 -0.21 0.00 0.00 178.00 179.01 1naq n TYR 86 N -3.13 0.00 -3.30 0.65 4.01 -1.26 -5.01 117.16 109.13 1naq n TYR 86 Ca -0.03 -0.33 -0.21 0.00 -0.16 0.00 0.00 57.90 57.18 1naq n TYR 86 Cb 0.14 -0.06 -0.02 0.00 -0.31 0.00 0.00 39.34 39.09 1naq n TYR 86 CO 0.00 0.00 0.00 1.04 -0.46 0.00 0.00 176.86 177.44 1naq n GLN 87 N -0.44 -2.75 -3.37 -0.72 6.02 -0.28 -4.90 117.38 110.95 1naq n GLN 87 Ca 0.04 0.33 -0.26 0.00 -0.01 0.00 0.00 57.00 57.09 1naq n GLN 87 Cb 0.56 -4.96 -0.09 0.00 1.02 0.00 0.00 30.24 26.77 1naq n GLN 87 CO 0.00 0.00 0.00 -2.37 -1.01 0.00 0.00 177.06 173.68 1naq n THR 88 N -3.60 -0.77 -2.39 5.09 5.66 -1.26 -4.93 114.28 112.08 1naq n THR 88 Ca -0.00 -3.74 -0.37 0.00 -3.05 0.00 0.00 64.05 56.89 1naq n THR 88 Cb 0.52 -1.79 -0.02 0.00 -1.55 0.00 0.00 70.33 67.49 1naq n THR 88 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 175.07 169.86 1naq s PRO 89 N -0.48 3.96 -1.30 1.09 0.04 -1.26 -4.94 135.00 132.11 1naq s PRO 89 Ca 0.33 1.66 -0.17 0.00 0.04 0.00 0.00 61.00 62.86 1naq s PRO 89 Cb 0.07 -2.48 0.08 0.00 0.04 0.00 0.00 34.50 32.22 1naq s PRO 89 CO -0.17 -0.35 1.73 -1.91 0.04 0.00 0.00 177.00 176.35 1naq n GLU 90 N -0.27 3.21 -4.12 4.56 2.13 -1.26 -4.93 120.64 119.96 1naq n GLU 90 Ca 0.06 -3.32 -0.33 0.00 0.66 0.00 0.00 57.16 54.23 1naq n GLU 90 Cb 0.49 -3.41 -0.16 0.00 0.27 0.00 0.00 31.44 28.63 1naq n GLU 90 CO 0.00 0.00 0.00 -1.17 -0.41 0.00 0.00 177.13 175.55 1naq s LEU 91 N 3.63 2.19 -0.03 4.31 0.20 -1.26 -3.73 118.68 123.98 1naq s LEU 91 Ca 0.52 -0.68 0.02 0.00 0.69 0.00 0.00 54.13 54.68 1naq s LEU 91 Cb 0.04 -1.49 0.01 0.00 -0.43 0.00 0.00 46.19 44.32 1naq s LEU 91 CO 0.06 -0.01 -0.07 -0.76 -0.29 0.00 0.00 176.35 175.28 1naq s LEU 92 N 1.29 1.62 -0.19 -0.68 1.43 -0.86 -5.01 118.68 116.27 1naq s LEU 92 Ca 0.04 -0.16 -0.09 0.00 -1.03 0.00 0.00 54.13 52.90 1naq s LEU 92 Cb -0.13 -0.49 -0.05 0.00 0.03 0.00 0.00 46.19 45.55 1naq s LEU 92 CO -0.13 0.02 0.11 -0.69 0.23 0.00 0.00 176.35 175.89 1naq s VAL 93 N 0.47 5.22 -0.15 -1.59 1.01 -1.26 -0.87 120.40 123.23 1naq s VAL 93 Ca -0.07 0.12 -0.04 0.00 0.00 0.00 0.00 61.98 62.00 1naq s VAL 93 Cb -0.11 -3.37 -0.03 0.00 0.00 0.00 0.00 36.38 32.87 1naq s VAL 93 CO 0.01 0.45 -0.04 -0.76 0.00 0.00 0.00 175.10 174.75 1naq s LEU 94 N 0.33 3.23 0.46 3.92 1.43 0.56 -5.02 118.68 123.59 1naq s LEU 94 Ca 0.07 -0.14 -0.22 0.00 -1.03 0.00 0.00 54.13 52.81 1naq s LEU 94 Cb -0.11 -1.78 -0.09 0.00 0.03 0.00 0.00 46.19 44.24 1naq s LEU 94 CO -0.01 0.17 1.05 -2.16 0.23 0.00 0.00 176.35 175.62 1naq s PRO 95 N 0.36 3.92 -0.18 1.29 0.04 -1.26 -2.55 135.00 136.62 1naq s PRO 95 Ca -0.04 1.43 -0.04 0.00 0.04 0.00 0.00 61.00 62.39 1naq s PRO 95 Cb -0.14 -2.26 -0.02 0.00 0.04 0.00 0.00 34.50 32.12 1naq s PRO 95 CO 0.03 -0.34 -0.04 0.08 0.04 0.00 0.00 177.00 176.77 1naq s VAL 96 N -1.85 3.65 -2.18 -0.36 1.01 -1.26 -4.91 120.40 114.50 1naq s VAL 96 Ca 0.64 -0.43 0.25 0.00 0.00 0.00 0.00 61.98 62.44 1naq s VAL 96 Cb -0.19 -2.62 0.19 0.00 0.00 0.00 0.00 36.38 33.76 1naq s VAL 96 CO 0.23 0.46 1.36 0.35 0.00 0.00 0.00 175.10 177.50 1naq n THR 97 N 4.06 0.00 -3.60 3.92 -2.24 -1.26 -4.88 114.28 110.28 1naq n THR 97 Ca -0.18 -0.26 -0.02 0.00 -2.27 0.00 0.00 64.05 61.32 1naq n THR 97 Cb 0.52 0.93 -0.06 0.00 -2.10 0.00 0.00 70.33 69.62 1naq n THR 97 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 1naq s HIS 98 N -2.34 -0.69 0.00 4.78 5.65 -1.26 -5.16 115.29 116.28 1naq s HIS 98 Ca 0.25 1.33 0.06 0.00 0.25 0.00 0.00 55.06 56.94 1naq s HIS 98 Cb 0.19 0.41 -0.03 0.00 -1.18 0.00 0.00 32.58 31.98 1naq s HIS 98 CO 0.48 -0.34 -0.18 0.20 -0.65 0.00 0.00 174.74 174.24 1naq s GLY 99 N 1.68 1.52 0.28 1.59 0.00 -1.26 -5.10 107.32 106.01 1naq s GLY 99 Ca -0.08 -1.11 -0.30 0.00 0.00 0.00 0.00 44.72 43.23 1naq s GLY 99 CO -0.16 -0.96 1.44 1.34 0.00 0.00 0.00 173.10 174.75 1naq n ASP 100 N 1.91 3.07 -0.19 1.64 2.03 -1.26 -4.85 116.55 118.91 1naq n ASP 100 Ca -0.16 1.16 -0.09 0.00 0.52 0.00 0.00 54.79 56.22 1naq n ASP 100 Cb 0.52 -1.49 0.04 0.00 -0.72 0.00 0.00 41.12 39.47 1naq n ASP 100 CO 0.00 0.00 0.00 0.74 -1.92 0.00 0.00 177.20 176.02 1naq h THR 101 N 3.02 1.26 -0.48 5.18 2.02 -1.99 -1.20 112.91 120.72 1naq h THR 101 Ca -0.46 -1.18 -0.10 0.00 0.77 0.00 0.00 66.41 65.44 1naq h THR 101 Cb 1.26 0.85 -0.02 0.00 -1.74 0.00 0.00 68.15 68.51 1naq h THR 101 CO 0.74 0.42 -0.10 0.44 0.37 0.00 0.00 175.52 177.39 1naq h ASP 102 N 0.94 0.88 -0.49 4.18 5.19 -2.00 -1.99 116.42 123.12 1naq h ASP 102 Ca 0.16 -0.27 -0.01 0.00 -0.62 0.00 0.00 57.03 56.29 1naq h ASP 102 Cb 0.59 -0.24 -0.02 0.00 0.18 0.00 0.00 39.33 39.84 1naq h ASP 102 CO 0.04 1.00 0.28 0.22 -3.12 0.00 0.00 179.24 177.66 1naq h TYR 103 N 0.80 0.66 -0.87 4.55 3.20 -1.87 -2.67 116.97 120.78 1naq h TYR 103 Ca 0.13 -0.01 0.01 0.00 3.14 0.00 0.00 58.73 62.00 1naq h TYR 103 Cb 0.62 -0.22 -0.04 0.00 1.54 0.00 0.00 36.73 38.63 1naq h TYR 103 CO 0.04 0.48 0.57 1.25 -1.64 0.00 0.00 178.16 178.86 1naq h LEU 104 N 0.66 1.00 -0.50 2.82 5.85 -1.05 0.18 115.31 124.27 1naq h LEU 104 Ca 0.18 -0.03 -0.02 0.00 0.84 0.00 0.00 57.88 58.85 1naq h LEU 104 Cb 0.02 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 40.78 1naq h LEU 104 CO -0.03 0.72 0.23 0.28 -0.34 0.00 0.00 178.44 179.30 1naq h SER 105 N 1.17 0.67 -0.81 1.25 0.02 -1.15 0.20 113.55 114.90 1naq h SER 105 Ca 0.32 -0.14 -0.01 0.00 -0.84 0.00 0.00 61.79 61.12 1naq h SER 105 Cb -0.13 -0.17 -0.04 0.00 0.14 0.00 0.00 62.40 62.20 1naq h SER 105 CO -0.07 0.63 0.47 -0.25 -1.14 0.00 0.00 176.83 176.47 1naq h TRP 106 N 0.67 1.09 -0.17 3.45 7.01 -1.06 0.50 115.95 127.42 1naq h TRP 106 Ca 0.17 -0.01 0.02 0.00 2.11 0.00 0.00 58.89 61.18 1naq h TRP 106 Cb 0.15 -0.35 -0.02 0.00 -2.10 0.00 0.00 29.16 26.83 1naq h TRP 106 CO -0.00 0.74 0.03 1.25 -2.79 0.00 0.00 178.44 177.67 1naq h LEU 107 N 1.12 0.01 -0.58 0.65 5.85 0.17 -1.06 115.31 121.48 1naq h LEU 107 Ca 0.29 0.03 -0.04 0.00 0.84 0.00 0.00 57.88 59.00 1naq h LEU 107 Cb -0.02 0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.02 1naq h LEU 107 CO -0.05 0.03 0.22 0.78 -0.34 0.00 0.00 178.44 179.08 1naq h ASN 108 N 0.11 0.81 0.26 1.25 2.35 -0.41 -2.95 115.58 116.99 1naq h ASN 108 Ca 0.08 -0.18 -0.05 0.00 -0.55 0.00 0.00 56.30 55.60 1naq h ASN 108 Cb 0.07 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.22 1naq h ASN 108 CO -0.10 0.77 -0.22 0.00 -1.65 0.00 0.00 177.43 176.23 1naq h ALA 109 N 1.07 1.55 -2.36 -0.83 0.00 -0.63 -3.38 119.26 114.68 1naq h ALA 109 Ca 0.19 -0.20 -0.45 0.00 0.00 0.00 0.00 54.91 54.45 1naq h ALA 109 Cb 0.22 -0.03 0.15 0.00 0.00 0.00 0.00 17.79 18.12 1naq h ALA 109 CO -0.01 0.27 0.26 -1.12 0.00 0.00 0.00 179.25 178.65 1naq s SER 110 N -6.84 2.88 0.00 0.00 0.01 -0.43 -5.09 113.70 104.24 1naq s SER 110 Ca -0.03 0.91 0.00 0.00 1.31 0.00 0.00 55.95 58.13 1naq s SER 110 Cb 0.15 -1.42 0.00 0.00 0.21 0.00 0.00 66.02 64.96 1naq s SER 110 CO 0.68 -2.94 0.00 0.18 0.41 0.00 0.00 173.24 171.57