#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cb1 n ALA -1 N 0.00 -2.56 0.00 -0.43 0.00 -1.26 -3.37 120.51 112.89 1cb1 n ALA -1 Ca 0.00 0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.48 1cb1 n ALA -1 Cb 0.00 -1.54 0.00 0.00 0.00 0.00 0.00 19.45 17.91 1cb1 n ALA -1 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1cb1 n GLN 0 N -1.77 0.00 -1.68 0.00 6.02 -1.26 -4.90 117.38 113.79 1cb1 n GLN 0 Ca -0.03 0.00 -0.54 0.00 -0.01 0.00 0.00 57.00 56.42 1cb1 n GLN 0 Cb 0.52 0.00 -0.06 0.00 1.02 0.00 0.00 30.24 31.72 1cb1 n GLN 0 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 1cb1 n LYS 1 N 0.00 1.46 -3.77 -1.09 4.76 -1.22 -4.92 118.16 113.39 1cb1 n LYS 1 Ca 0.00 0.53 -0.11 0.00 -2.87 0.00 0.00 58.31 55.86 1cb1 n LYS 1 Cb 0.00 -2.31 -0.07 0.00 -1.84 0.00 0.00 35.03 30.81 1cb1 n LYS 1 CO 0.00 0.00 0.00 -1.12 -1.37 0.00 0.00 177.40 174.91 1cb1 s SER 2 N 4.13 -0.08 0.12 4.39 0.01 -1.26 0.44 113.70 121.43 1cb1 s SER 2 Ca 0.98 -0.29 -0.22 0.00 1.31 0.00 0.00 55.95 57.72 1cb1 s SER 2 Cb -0.93 0.36 -0.05 0.00 0.21 0.00 0.00 66.02 65.60 1cb1 s SER 2 CO 0.60 -0.65 1.32 -2.65 0.41 0.00 0.00 173.24 172.26 1cb1 n PRO 3 N 0.40 -0.32 -0.13 12.44 -0.02 -1.26 -0.32 135.00 145.79 1cb1 n PRO 3 Ca -0.18 1.30 -0.04 0.00 -2.02 0.00 0.00 63.50 62.56 1cb1 n PRO 3 Cb 0.60 -1.91 0.04 0.00 -0.02 0.00 0.00 33.50 32.21 1cb1 n PRO 3 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1cb1 h ALA 4 N 0.16 0.45 -0.02 3.55 0.00 -1.98 0.14 119.26 121.55 1cb1 h ALA 4 Ca 0.12 0.10 -0.00 0.00 0.00 0.00 0.00 54.91 55.13 1cb1 h ALA 4 Cb 0.30 0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.23 1cb1 h ALA 4 CO -0.68 -0.34 0.01 1.49 0.00 0.00 0.00 179.25 179.73 1cb1 h GLU 5 N 0.18 0.03 -0.78 0.00 4.81 -1.72 0.56 114.58 117.66 1cb1 h GLU 5 Ca 0.21 -0.00 0.03 0.00 -0.13 0.00 0.00 59.36 59.47 1cb1 h GLU 5 Cb 0.28 -0.01 -0.05 0.00 0.63 0.00 0.00 28.75 29.61 1cb1 h GLU 5 CO -0.30 0.10 0.50 -0.07 -0.73 0.00 0.00 179.01 178.51 1cb1 h LEU 6 N -0.06 0.81 0.25 1.64 3.38 -0.20 0.57 115.31 121.71 1cb1 h LEU 6 Ca 0.01 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1cb1 h LEU 6 Cb 0.08 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.66 1cb1 h LEU 6 CO -0.00 0.56 -0.12 0.50 0.09 0.00 0.00 178.44 179.46 1cb1 h LYS 7 N 0.96 -0.33 -0.59 1.13 3.11 -0.48 0.20 116.57 120.57 1cb1 h LYS 7 Ca 0.32 0.02 0.09 0.00 -2.81 0.00 0.00 60.65 58.27 1cb1 h LYS 7 Cb 0.03 0.07 -0.07 0.00 -1.00 0.00 0.00 32.23 31.26 1cb1 h LYS 7 CO -0.12 -0.19 0.20 0.77 -2.81 0.00 0.00 179.45 177.30 1cb1 h SER 8 N -0.38 0.18 0.40 4.20 0.02 -0.18 0.13 113.55 117.93 1cb1 h SER 8 Ca -0.03 0.08 -0.02 0.00 -0.84 0.00 0.00 61.79 60.98 1cb1 h SER 8 Cb 0.29 0.07 0.00 0.00 0.14 0.00 0.00 62.40 62.91 1cb1 h SER 8 CO 0.06 0.11 -0.19 0.40 -1.14 0.00 0.00 176.83 176.06 1cb1 h ILE 9 N 0.37 0.55 -0.82 3.27 2.04 -0.70 -3.22 117.51 119.01 1cb1 h ILE 9 Ca 0.30 -0.46 0.20 0.00 1.00 0.00 0.00 64.86 65.90 1cb1 h ILE 9 Cb 0.38 0.75 -0.14 0.00 -0.74 0.00 0.00 36.82 37.06 1cb1 h ILE 9 CO -0.31 0.08 0.02 0.15 0.00 0.00 0.00 178.15 178.09 1cb1 h PHE 10 N -0.83 -0.02 -0.67 1.37 3.04 -0.22 0.24 116.94 119.84 1cb1 h PHE 10 Ca -0.06 0.06 0.15 0.00 3.98 0.00 0.00 57.97 62.10 1cb1 h PHE 10 Cb 0.54 0.14 -0.04 0.00 2.56 0.00 0.00 35.95 39.15 1cb1 h PHE 10 CO 0.01 -0.27 0.46 1.05 -2.02 0.00 0.00 178.31 177.53 1cb1 h GLU 11 N 0.10 0.26 -0.66 1.11 4.11 -0.75 -0.72 114.58 118.02 1cb1 h GLU 11 Ca 0.46 -0.02 -0.04 0.00 0.07 0.00 0.00 59.36 59.84 1cb1 h GLU 11 Cb 0.85 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 30.01 1cb1 h GLU 11 CO -0.72 0.17 0.26 0.87 0.07 0.00 0.00 179.01 179.66 1cb1 h LYS 12 N 0.26 0.99 0.03 1.06 1.79 -1.00 0.18 116.57 119.88 1cb1 h LYS 12 Ca 0.32 -0.18 -0.06 0.00 -2.18 0.00 0.00 60.65 58.55 1cb1 h LYS 12 Cb 0.90 -0.16 0.01 0.00 -1.58 0.00 0.00 32.23 31.40 1cb1 h LYS 12 CO -0.07 0.83 -0.27 1.88 -1.08 0.00 0.00 179.45 180.74 1cb1 h TYR 13 N 0.94 0.21 -0.75 -1.35 -1.99 -1.44 -3.32 116.97 109.27 1cb1 h TYR 13 Ca 0.22 -0.14 0.12 0.00 2.00 0.00 0.00 58.73 60.94 1cb1 h TYR 13 Cb 0.21 -0.02 -0.08 0.00 2.00 0.00 0.00 36.73 38.84 1cb1 h TYR 13 CO 0.01 1.03 0.35 0.00 -0.00 0.00 0.00 178.16 179.55 1cb1 h ALA 14 N 0.13 1.07 0.00 3.88 0.00 -1.08 -0.23 119.26 123.02 1cb1 h ALA 14 Ca -0.04 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1cb1 h ALA 14 Cb 1.13 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.93 1cb1 h ALA 14 CO 0.05 -0.12 0.05 0.00 0.00 0.00 0.00 179.25 179.23 1cb1 n ALA 15 N -2.45 0.95 0.25 0.00 0.00 0.61 -1.18 120.51 118.68 1cb1 n ALA 15 Ca 0.13 0.13 0.10 0.00 0.00 0.00 0.00 53.44 53.80 1cb1 n ALA 15 Cb 0.36 -1.12 0.66 0.00 0.00 0.00 0.00 19.45 19.35 1cb1 n ALA 15 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1cb1 h LYS 16 N 0.00 0.00 -6.19 0.00 1.57 -1.14 -3.42 116.57 107.39 1cb1 h LYS 16 Ca 0.00 0.00 -0.49 0.00 -1.87 0.00 0.00 60.65 58.29 1cb1 h LYS 16 Cb 0.11 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.39 1cb1 h LYS 16 CO 0.00 0.11 -0.48 -1.21 -0.57 0.00 0.00 179.45 177.31 1cb1 s GLU 17 N -4.54 3.20 -0.91 3.15 0.41 -0.33 -5.00 118.70 114.68 1cb1 s GLU 17 Ca -0.04 -0.89 -0.08 0.00 -0.41 0.00 0.00 54.97 53.56 1cb1 s GLU 17 Cb 0.15 -2.74 -0.14 0.00 -1.78 0.00 0.00 34.13 29.62 1cb1 s GLU 17 CO 0.63 0.42 2.97 0.41 -0.49 0.00 0.00 175.26 179.20 1cb1 n GLY 18 N -1.24 3.53 2.71 -1.39 0.00 -1.26 -4.15 105.19 103.39 1cb1 n GLY 18 Ca -0.08 -1.25 -0.05 0.00 0.00 0.00 0.00 46.02 44.64 1cb1 n GLY 18 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1cb1 n ASP 19 N 3.28 -2.18 -1.62 1.61 -0.08 -1.26 -5.06 116.55 111.24 1cb1 n ASP 19 Ca 0.59 -2.04 0.00 0.00 -1.51 0.00 0.00 54.79 51.82 1cb1 n ASP 19 Cb 0.44 1.18 0.00 0.00 2.34 0.00 0.00 41.12 45.08 1cb1 n ASP 19 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 1cb1 n PRO 20 N 2.27 0.66 -0.04 -0.67 -0.04 -1.26 -2.88 135.00 133.05 1cb1 n PRO 20 Ca 0.10 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.56 1cb1 n PRO 20 Cb 0.64 -1.17 0.00 0.00 -0.04 0.00 0.00 33.50 32.93 1cb1 n PRO 20 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 1cb1 n ASN 21 N 1.59 0.00 -3.96 3.54 6.94 -1.26 -4.77 115.26 117.34 1cb1 n ASN 21 Ca 0.00 -1.07 -0.10 0.00 -0.02 0.00 0.00 54.58 53.40 1cb1 n ASN 21 Cb 0.33 -0.01 -0.07 0.00 -2.36 0.00 0.00 39.78 37.67 1cb1 n ASN 21 CO 0.00 0.00 0.00 -1.10 -1.03 0.00 0.00 177.26 175.13 1cb1 s GLN 22 N 0.00 1.20 -0.07 -3.83 -0.21 -1.14 -1.23 119.66 114.38 1cb1 s GLN 22 Ca 0.00 -1.17 0.03 0.00 0.02 0.00 0.00 55.36 54.24 1cb1 s GLN 22 Cb 0.00 0.39 0.01 0.00 1.00 0.00 0.00 33.01 34.41 1cb1 s GLN 22 CO 0.00 -0.45 -0.15 -0.51 -2.12 0.00 0.00 175.29 172.06 1cb1 s LEU 23 N -2.97 1.75 0.00 2.90 1.43 0.18 -4.21 118.68 117.77 1cb1 s LEU 23 Ca 0.18 -0.35 -0.00 0.00 -1.03 0.00 0.00 54.13 52.92 1cb1 s LEU 23 Cb 0.03 -0.95 0.05 0.00 0.03 0.00 0.00 46.19 45.35 1cb1 s LEU 23 CO 0.01 0.07 0.32 -0.24 0.23 0.00 0.00 176.35 176.73 1cb1 n SER 24 N 3.70 0.42 -0.04 2.29 2.88 -1.26 -0.45 113.62 121.16 1cb1 n SER 24 Ca -0.22 -1.36 -0.11 0.00 -1.33 0.00 0.00 58.87 55.86 1cb1 n SER 24 Cb 0.52 -0.21 -0.05 0.00 -0.75 0.00 0.00 64.21 63.73 1cb1 n SER 24 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 1cb1 h LYS 25 N 0.00 -0.39 0.40 -1.46 1.57 -1.94 0.95 116.57 115.70 1cb1 h LYS 25 Ca -0.10 0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 58.68 1cb1 h LYS 25 Cb 0.39 0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.79 1cb1 h LYS 25 CO 0.11 -0.26 -0.20 0.93 -0.57 0.00 0.00 179.45 179.46 1cb1 h GLU 26 N -0.41 -0.53 -0.48 3.15 3.07 -1.97 0.66 114.58 118.07 1cb1 h GLU 26 Ca 0.11 0.04 0.05 0.00 -0.50 0.00 0.00 59.36 59.05 1cb1 h GLU 26 Cb 0.59 0.12 -0.05 0.00 -0.84 0.00 0.00 28.75 28.57 1cb1 h GLU 26 CO -0.44 -0.36 0.21 0.93 -1.40 0.00 0.00 179.01 177.96 1cb1 h GLU 27 N -0.56 0.41 0.46 2.33 3.07 -1.88 -0.40 114.58 118.02 1cb1 h GLU 27 Ca -0.05 -0.02 -0.02 0.00 -0.50 0.00 0.00 59.36 58.76 1cb1 h GLU 27 Cb 0.43 -0.09 0.00 0.00 -0.84 0.00 0.00 28.75 28.26 1cb1 h GLU 27 CO 0.08 0.27 -0.22 -0.07 -1.40 0.00 0.00 179.01 177.67 1cb1 h LEU 28 N 0.42 -0.52 -0.51 1.33 3.38 -0.66 -0.19 115.31 118.58 1cb1 h LEU 28 Ca 0.22 0.02 0.09 0.00 0.09 0.00 0.00 57.88 58.30 1cb1 h LEU 28 Cb 0.17 0.13 -0.10 0.00 0.09 0.00 0.00 40.66 40.95 1cb1 h LEU 28 CO -0.18 -0.37 -0.33 0.50 0.09 0.00 0.00 178.44 178.15 1cb1 h LYS 29 N -0.61 -0.20 0.00 1.13 1.63 -0.44 0.21 116.57 118.29 1cb1 h LYS 29 Ca -0.06 0.01 0.03 0.00 -0.85 0.00 0.00 60.65 59.78 1cb1 h LYS 29 Cb 0.47 0.04 -0.05 0.00 -0.60 0.00 0.00 32.23 32.10 1cb1 h LYS 29 CO 0.10 -0.13 -0.30 1.96 -3.45 0.00 0.00 179.45 177.63 1cb1 h GLN 30 N -0.20 -0.43 -0.45 1.90 4.20 -0.92 -0.42 115.11 118.78 1cb1 h GLN 30 Ca 0.20 0.03 0.09 0.00 0.06 0.00 0.00 58.65 59.03 1cb1 h GLN 30 Cb 0.54 0.10 -0.10 0.00 0.30 0.00 0.00 27.48 28.33 1cb1 h GLN 30 CO -0.62 -0.29 -0.28 1.25 -0.67 0.00 0.00 178.83 178.23 1cb1 h LEU 31 N -0.45 -0.94 0.41 1.46 6.46 0.45 0.28 115.31 122.98 1cb1 h LEU 31 Ca 0.06 0.19 -0.01 0.00 -0.12 0.00 0.00 57.88 58.00 1cb1 h LEU 31 Cb 0.53 0.47 -0.02 0.00 -0.73 0.00 0.00 40.66 40.92 1cb1 h LEU 31 CO -0.25 -0.29 -0.42 0.40 -0.62 0.00 0.00 178.44 177.26 1cb1 h ILE 32 N -0.18 0.00 -0.50 4.05 1.08 -0.17 0.32 117.51 122.12 1cb1 h ILE 32 Ca 0.20 0.00 0.09 0.00 -0.39 0.00 0.00 64.86 64.76 1cb1 h ILE 32 Cb 0.51 0.00 -0.07 0.00 -3.07 0.00 0.00 36.82 34.19 1cb1 h ILE 32 CO -0.56 0.00 0.06 1.56 -0.69 0.00 0.00 178.15 178.52 1cb1 h GLN 33 N -0.83 0.18 0.02 2.37 1.08 -0.82 0.11 115.11 117.22 1cb1 h GLN 33 Ca -0.05 -0.01 -0.04 0.00 -1.45 0.00 0.00 58.65 57.10 1cb1 h GLN 33 Cb 0.72 -0.04 0.00 0.00 -0.05 0.00 0.00 27.48 28.11 1cb1 h GLN 33 CO -0.05 0.12 -0.18 0.00 -0.95 0.00 0.00 178.83 177.76 1cb1 h ALA 34 N 1.41 0.01 0.20 3.87 0.00 -0.87 -3.38 119.26 120.50 1cb1 h ALA 34 Ca 0.25 -0.57 -0.34 0.00 0.00 0.00 0.00 54.91 54.25 1cb1 h ALA 34 Cb 0.36 0.06 0.02 0.00 0.00 0.00 0.00 17.79 18.23 1cb1 h ALA 34 CO -0.36 0.09 -1.59 1.49 0.00 0.00 0.00 179.25 178.88 1cb1 h GLU 35 N -0.93 0.43 -0.64 0.00 4.81 -0.36 -3.45 114.58 114.45 1cb1 h GLU 35 Ca -0.04 -0.74 -0.15 0.00 -0.13 0.00 0.00 59.36 58.30 1cb1 h GLU 35 Cb 1.10 0.28 -0.15 0.00 0.63 0.00 0.00 28.75 30.60 1cb1 h GLU 35 CO 0.00 1.34 -0.43 1.97 -0.73 0.00 0.00 179.01 181.16 1cb1 n PHE 36 N -3.62 -3.28 0.86 0.92 1.16 0.22 -5.00 117.46 108.73 1cb1 n PHE 36 Ca -0.20 -1.36 0.04 0.00 -1.87 0.00 0.00 57.45 54.07 1cb1 n PHE 36 Cb 1.08 1.45 0.22 0.00 -1.61 0.00 0.00 39.48 40.63 1cb1 n PHE 36 CO 0.00 0.00 0.00 -0.35 -1.87 0.00 0.00 176.76 174.54 1cb1 n PRO 37 N 2.54 0.43 -0.37 3.97 -0.04 -0.30 -3.98 135.00 137.25 1cb1 n PRO 37 Ca 0.15 0.00 0.31 0.00 -0.04 0.00 0.00 63.50 63.92 1cb1 n PRO 37 Cb 0.59 -1.27 0.58 0.00 -0.04 0.00 0.00 33.50 33.35 1cb1 n PRO 37 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 1cb1 h SER 38 N 0.00 0.35 -0.79 3.54 0.02 -1.94 0.10 113.55 114.82 1cb1 h SER 38 Ca 0.00 0.19 0.21 0.00 -0.84 0.00 0.00 61.79 61.35 1cb1 h SER 38 Cb 0.00 0.17 -0.04 0.00 0.14 0.00 0.00 62.40 62.67 1cb1 h SER 38 CO 0.00 -0.24 0.56 -0.07 -1.14 0.00 0.00 176.83 175.93 1cb1 h LEU 39 N 0.14 0.11 0.00 5.07 3.38 -1.96 0.10 115.31 122.16 1cb1 h LEU 39 Ca 0.80 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.78 1cb1 h LEU 39 Cb 2.19 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 42.93 1cb1 h LEU 39 CO -0.58 0.05 -0.16 0.18 0.09 0.00 0.00 178.44 178.02 1cb1 n LEU 40 N -4.36 0.69 -3.40 1.67 4.77 0.02 -0.01 117.00 116.38 1cb1 n LEU 40 Ca 0.16 0.47 -0.40 0.00 -0.03 0.00 0.00 56.01 56.21 1cb1 n LEU 40 Cb 0.78 -0.30 -0.02 0.00 -2.33 0.00 0.00 43.42 41.55 1cb1 n LEU 40 CO 0.36 -0.12 3.00 0.29 -1.33 0.00 0.00 177.39 179.59 1cb1 n LYS 41 N -2.12 3.99 0.00 3.23 4.76 0.36 -4.33 118.16 124.05 1cb1 n LYS 41 Ca 0.05 -2.69 0.00 0.00 -2.87 0.00 0.00 58.31 52.80 1cb1 n LYS 41 Cb 0.42 -2.76 0.00 0.00 -1.84 0.00 0.00 35.03 30.85 1cb1 n LYS 41 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1cb1 n GLY 42 N 2.92 2.54 0.17 0.72 0.00 -1.26 -4.91 105.19 105.37 1cb1 n GLY 42 Ca 0.71 -0.78 -0.05 0.00 0.00 0.00 0.00 46.02 45.90 1cb1 n GLY 42 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1cb1 h PRO 43 N 0.00 0.19 -3.38 1.61 0.11 -1.81 -3.46 132.00 125.26 1cb1 h PRO 43 Ca 0.00 -0.01 -0.41 0.00 0.11 0.00 0.00 66.00 65.69 1cb1 h PRO 43 Cb 0.00 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 31.06 1cb1 h PRO 43 CO 0.00 0.13 -0.55 0.54 -0.21 0.00 0.00 178.00 177.91 1cb1 n ARG 44 N -5.10 -2.45 0.10 1.05 1.74 0.99 -4.91 116.66 108.08 1cb1 n ARG 44 Ca 0.03 0.98 -0.05 0.00 -0.77 0.00 0.00 57.85 58.04 1cb1 n ARG 44 Cb 0.18 -5.69 -0.02 0.00 -1.02 0.00 0.00 32.46 25.91 1cb1 n ARG 44 CO 0.00 0.00 0.00 1.15 -1.52 0.00 0.00 177.63 177.26 1cb1 h THR 45 N -0.33 0.00 0.00 0.55 2.02 -1.90 -3.46 112.91 109.79 1cb1 h THR 45 Ca -0.50 -0.45 0.00 0.00 0.77 0.00 0.00 66.41 66.23 1cb1 h THR 45 Cb 1.36 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.77 1cb1 h THR 45 CO 0.58 0.00 0.00 -0.11 0.37 0.00 0.00 175.52 176.36 1cb1 n LEU 46 N -4.06 0.00 -0.01 2.58 0.00 -1.26 -3.13 117.00 111.11 1cb1 n LEU 46 Ca -0.04 0.00 -0.05 0.00 0.00 0.00 0.00 56.01 55.92 1cb1 n LEU 46 Cb 0.12 0.00 -0.12 0.00 0.00 0.00 0.00 43.42 43.42 1cb1 n LEU 46 CO 0.09 0.00 -0.50 -0.67 0.00 0.00 0.00 177.39 176.31 1cb1 n ASP 47 N 0.00 0.76 0.00 1.96 2.03 -1.26 -4.17 116.55 115.87 1cb1 n ASP 47 Ca 0.00 0.35 0.00 0.00 0.52 0.00 0.00 54.79 55.66 1cb1 n ASP 47 Cb 0.00 0.17 0.00 0.00 -0.72 0.00 0.00 41.12 40.57 1cb1 n ASP 47 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 1cb1 n ASP 48 N -2.94 0.00 -0.31 1.67 2.03 -1.18 -0.13 116.55 115.68 1cb1 n ASP 48 Ca -0.15 0.95 -0.05 0.00 0.52 0.00 0.00 54.79 56.06 1cb1 n ASP 48 Cb 0.97 -0.45 0.07 0.00 -0.72 0.00 0.00 41.12 40.99 1cb1 n ASP 48 CO 0.00 0.00 0.00 0.17 -1.92 0.00 0.00 177.20 175.45 1cb1 h LEU 49 N 0.00 1.10 -0.61 -2.67 8.10 -1.89 -0.85 115.31 118.50 1cb1 h LEU 49 Ca 0.00 -0.14 0.13 0.00 0.11 0.00 0.00 57.88 57.98 1cb1 h LEU 49 Cb 0.00 -0.28 -0.11 0.00 -0.44 0.00 0.00 40.66 39.83 1cb1 h LEU 49 CO 0.00 0.93 -0.05 0.15 -4.11 0.00 0.00 178.44 175.36 1cb1 h PHE 50 N 1.20 -0.14 -0.15 0.17 3.04 -1.70 0.15 116.94 119.50 1cb1 h PHE 50 Ca 0.29 0.05 -0.04 0.00 3.98 0.00 0.00 57.97 62.25 1cb1 h PHE 50 Cb 0.12 0.16 -0.00 0.00 2.56 0.00 0.00 35.95 38.78 1cb1 h PHE 50 CO 0.01 -0.20 -0.07 0.37 -2.02 0.00 0.00 178.31 176.40 1cb1 h GLN 51 N 0.07 0.31 -0.93 1.11 4.15 -0.01 -3.07 115.11 116.75 1cb1 h GLN 51 Ca 0.31 -0.14 0.17 0.00 0.77 0.00 0.00 58.65 59.77 1cb1 h GLN 51 Cb 0.49 -0.01 -0.10 0.00 0.21 0.00 0.00 27.48 28.07 1cb1 h GLN 51 CO -0.56 0.63 0.52 1.49 -1.93 0.00 0.00 178.83 178.99 1cb1 h GLU 52 N -0.02 0.66 0.00 1.69 4.22 0.11 0.42 114.58 121.66 1cb1 h GLU 52 Ca 0.03 -0.04 0.00 0.00 0.08 0.00 0.00 59.36 59.43 1cb1 h GLU 52 Cb 0.54 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.64 1cb1 h GLU 52 CO 0.02 0.44 0.00 1.28 -2.18 0.00 0.00 179.01 178.57 1cb1 n LEU 53 N -4.83 0.00 -4.59 1.64 4.77 0.40 -4.74 117.00 109.65 1cb1 n LEU 53 Ca 0.21 0.09 -0.41 0.00 -0.03 0.00 0.00 56.01 55.86 1cb1 n LEU 53 Cb 0.52 -0.09 -0.03 0.00 -2.33 0.00 0.00 43.42 41.49 1cb1 n LEU 53 CO 0.20 -0.05 1.66 -1.81 -1.33 0.00 0.00 177.39 176.06 1cb1 s ASP 54 N -2.18 5.53 0.27 -1.43 1.01 0.13 -4.28 116.67 115.72 1cb1 s ASP 54 Ca 0.17 1.22 -0.00 0.00 0.71 0.00 0.00 52.55 54.65 1cb1 s ASP 54 Cb 0.09 -2.52 0.62 0.00 1.01 0.00 0.00 42.92 42.12 1cb1 s ASP 54 CO 0.17 -2.01 1.68 0.50 0.21 0.00 0.00 175.17 175.72 1cb1 h LYS 55 N 14.42 0.30 -0.61 8.23 3.64 -0.85 0.11 116.57 141.81 1cb1 h LYS 55 Ca -0.33 -0.02 -0.12 0.00 -1.27 0.00 0.00 60.65 58.91 1cb1 h LYS 55 Cb 1.19 -0.07 -0.07 0.00 -0.41 0.00 0.00 32.23 32.87 1cb1 h LYS 55 CO 1.07 0.20 0.14 -1.71 -2.27 0.00 0.00 179.45 176.87 1cb1 n ASN 56 N -5.13 4.86 -1.80 4.20 5.15 -1.26 -4.96 115.26 116.33 1cb1 n ASN 56 Ca 0.19 -3.14 -0.15 0.00 -0.60 0.00 0.00 54.58 50.87 1cb1 n ASN 56 Cb 0.58 -0.70 -0.04 0.00 -0.53 0.00 0.00 39.78 39.09 1cb1 n ASN 56 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1cb1 n GLY 57 N -0.04 0.74 2.75 8.20 0.00 0.37 -4.87 105.19 112.34 1cb1 n GLY 57 Ca 0.34 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.31 1cb1 n GLY 57 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1cb1 n ASP 58 N -1.14 -3.33 -3.34 1.61 2.03 -1.26 -5.02 116.55 106.11 1cb1 n ASP 58 Ca -0.16 -2.94 -0.12 0.00 0.52 0.00 0.00 54.79 52.09 1cb1 n ASP 58 Cb 0.55 1.69 0.01 0.00 -0.72 0.00 0.00 41.12 42.65 1cb1 n ASP 58 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1cb1 n GLY 59 N 2.83 -1.22 2.60 0.27 0.00 -1.26 -4.98 105.19 103.42 1cb1 n GLY 59 Ca 0.18 0.51 -0.12 0.00 0.00 0.00 0.00 46.02 46.59 1cb1 n GLY 59 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1cb1 n GLU 60 N -2.46 0.78 -2.83 1.61 1.02 -1.25 -4.17 120.64 113.34 1cb1 n GLU 60 Ca -0.10 -2.15 -0.43 0.00 -0.02 0.00 0.00 57.16 54.47 1cb1 n GLU 60 Cb 0.57 -1.39 -0.04 0.00 -0.02 0.00 0.00 31.44 30.57 1cb1 n GLU 60 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1cb1 s VAL 61 N 0.15 4.29 0.75 2.62 1.01 0.40 -0.17 120.40 129.46 1cb1 s VAL 61 Ca 0.32 -0.38 -0.11 0.00 0.00 0.00 0.00 61.98 61.82 1cb1 s VAL 61 Cb 0.22 -4.72 0.04 0.00 0.00 0.00 0.00 36.38 31.93 1cb1 s VAL 61 CO -0.20 -1.51 1.08 -0.94 0.00 0.00 0.00 175.10 173.53 1cb1 s SER 62 N 3.71 4.75 0.35 3.32 1.04 -1.26 -0.64 113.70 124.97 1cb1 s SER 62 Ca 0.24 1.70 0.11 0.00 0.48 0.00 0.00 55.95 58.48 1cb1 s SER 62 Cb -0.15 -2.47 0.87 0.00 0.10 0.00 0.00 66.02 64.37 1cb1 s SER 62 CO 0.09 -1.86 1.82 0.15 0.98 0.00 0.00 173.24 174.42 1cb1 h PHE 63 N -1.01 0.84 -0.60 5.02 3.57 -1.55 0.21 116.94 123.42 1cb1 h PHE 63 Ca -0.44 0.03 0.14 0.00 3.53 0.00 0.00 57.97 61.22 1cb1 h PHE 63 Cb 1.23 -0.26 -0.03 0.00 2.79 0.00 0.00 35.95 39.68 1cb1 h PHE 63 CO 0.58 0.23 0.41 0.93 -2.23 0.00 0.00 178.31 178.23 1cb1 h GLU 64 N 0.64 0.20 0.03 1.11 3.07 -1.91 -2.45 114.58 115.27 1cb1 h GLU 64 Ca 0.51 -0.01 -0.37 0.00 -0.50 0.00 0.00 59.36 58.99 1cb1 h GLU 64 Cb 0.95 -0.05 -0.05 0.00 -0.84 0.00 0.00 28.75 28.76 1cb1 h GLU 64 CO -0.27 0.13 -2.23 0.39 -1.40 0.00 0.00 179.01 175.64 1cb1 n GLU 65 N -4.43 0.69 -0.34 2.33 4.71 0.32 -4.42 120.64 119.50 1cb1 n GLU 65 Ca 0.11 0.17 0.25 0.00 -0.01 0.00 0.00 57.16 57.67 1cb1 n GLU 65 Cb 0.53 -1.61 0.49 0.00 -1.01 0.00 0.00 31.44 29.84 1cb1 n GLU 65 CO 0.00 0.00 0.00 0.35 0.09 0.00 0.00 177.13 177.57 1cb1 h PHE 66 N 0.02 0.91 -0.83 -0.32 3.57 -0.24 0.16 116.94 120.21 1cb1 h PHE 66 Ca -0.49 0.04 0.24 0.00 3.53 0.00 0.00 57.97 61.28 1cb1 h PHE 66 Cb 2.02 -0.24 -0.03 0.00 2.79 0.00 0.00 35.95 40.49 1cb1 h PHE 66 CO 0.03 -0.19 0.75 -0.56 -2.23 0.00 0.00 178.31 176.12 1cb1 h GLN 67 N 0.30 0.00 -0.54 1.11 -0.00 -1.73 0.23 115.11 114.48 1cb1 h GLN 67 Ca 0.74 0.00 0.01 0.00 -0.00 0.00 0.00 58.65 59.40 1cb1 h GLN 67 Cb 1.74 0.00 -0.03 0.00 -0.00 0.00 0.00 27.48 29.19 1cb1 h GLN 67 CO -0.60 0.00 0.36 0.28 -0.00 0.00 0.00 178.83 178.87 1cb1 h VAL 68 N 0.00 1.14 -0.04 1.86 2.07 -1.26 0.23 116.25 120.24 1cb1 h VAL 68 Ca 0.39 -0.25 -0.02 0.00 0.82 0.00 0.00 66.70 67.64 1cb1 h VAL 68 Cb 1.89 0.34 0.00 0.00 -1.52 0.00 0.00 31.29 32.01 1cb1 h VAL 68 CO -0.00 0.13 -0.07 -0.07 0.02 0.00 0.00 177.57 177.58 1cb1 h LEU 69 N 0.73 0.12 -1.76 2.57 3.38 -0.74 -3.09 115.31 116.52 1cb1 h LEU 69 Ca 0.20 -0.57 0.21 0.00 0.09 0.00 0.00 57.88 57.81 1cb1 h LEU 69 Cb -0.08 -0.03 -0.05 0.00 0.09 0.00 0.00 40.66 40.59 1cb1 h LEU 69 CO -0.04 0.66 0.57 0.58 0.09 0.00 0.00 178.44 180.30 1cb1 h VAL 70 N -0.42 0.65 -1.08 1.22 2.07 -1.17 -1.77 116.25 115.76 1cb1 h VAL 70 Ca 0.00 -0.07 0.33 0.00 0.82 0.00 0.00 66.70 67.78 1cb1 h VAL 70 Cb 0.64 0.43 -0.13 0.00 -1.52 0.00 0.00 31.29 30.71 1cb1 h VAL 70 CO 0.02 0.04 0.66 0.50 0.02 0.00 0.00 177.57 178.80 1cb1 h LYS 71 N 0.20 0.29 0.00 1.57 1.63 -0.50 0.37 116.57 120.14 1cb1 h LYS 71 Ca 0.41 -0.02 0.00 0.00 -0.85 0.00 0.00 60.65 60.20 1cb1 h LYS 71 Cb 1.31 -0.07 0.00 0.00 -0.60 0.00 0.00 32.23 32.87 1cb1 h LYS 71 CO -0.09 0.19 -0.75 0.36 -3.45 0.00 0.00 179.45 175.72 1cb1 n LYS 72 N -4.87 0.18 0.02 1.90 -0.00 -0.67 -4.07 118.16 110.65 1cb1 n LYS 72 Ca 0.31 0.02 -0.19 0.00 -0.00 0.00 0.00 58.31 58.46 1cb1 n LYS 72 Cb 1.05 -1.58 -0.13 0.00 -0.00 0.00 0.00 35.03 34.37 1cb1 n LYS 72 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.40 178.22 1cb1 h ILE 73 N 0.00 1.52 -3.31 0.58 1.08 -0.40 -3.44 117.51 113.54 1cb1 h ILE 73 Ca 0.00 -2.38 -0.58 0.00 -0.39 0.00 0.00 64.86 61.51 1cb1 h ILE 73 Cb 0.64 3.05 -0.08 0.00 -3.07 0.00 0.00 36.82 37.36 1cb1 h ILE 73 CO 0.00 0.67 -0.19 -0.44 -0.69 0.00 0.00 178.15 177.50 1cb1 s SER 74 N -6.81 6.62 0.00 1.72 0.01 -0.10 -3.61 113.70 111.53 1cb1 s SER 74 Ca -0.14 0.74 0.00 0.00 1.31 0.00 0.00 55.95 57.86 1cb1 s SER 74 Cb 0.01 -2.26 0.00 0.00 0.21 0.00 0.00 66.02 63.98 1cb1 s SER 74 CO 0.81 0.03 0.00 0.00 0.41 0.00 0.00 173.24 174.49