#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2g0u s SER 2 N 0.00 4.00 0.08 7.83 0.01 -1.26 -5.09 113.70 119.28 2g0u s SER 2 Ca 0.00 2.27 -0.14 0.00 1.31 0.00 0.00 55.95 59.38 2g0u s SER 2 Cb 0.00 -2.58 0.02 0.00 0.21 0.00 0.00 66.02 63.68 2g0u s SER 2 CO 0.00 -2.39 0.34 0.54 0.41 0.00 0.00 173.24 172.14 2g0u s ASN 3 N -2.28 -0.15 0.54 2.44 4.22 -1.26 -5.17 114.94 113.28 2g0u s ASN 3 Ca 0.72 -0.29 -0.19 0.00 -2.14 0.00 0.00 52.86 50.95 2g0u s ASN 3 Cb -0.27 0.41 -0.09 0.00 1.28 0.00 0.00 41.25 42.59 2g0u s ASN 3 CO 0.48 -0.74 0.67 -2.65 -2.04 0.00 0.00 177.10 172.83 2g0u n PRO 4 N 0.13 0.69 -2.16 3.55 -0.02 -1.26 -4.94 135.00 131.00 2g0u n PRO 4 Ca -0.17 0.26 -0.36 0.00 -2.02 0.00 0.00 63.50 61.22 2g0u n PRO 4 Cb 0.62 -1.81 0.01 0.00 -0.02 0.00 0.00 33.50 32.31 2g0u n PRO 4 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 2g0u s PRO 5 N -2.14 3.23 0.06 0.52 0.04 -1.26 -5.07 135.00 130.38 2g0u s PRO 5 Ca 0.69 1.71 -0.05 0.00 0.04 0.00 0.00 61.00 63.39 2g0u s PRO 5 Cb -0.47 -2.00 -0.02 0.00 0.04 0.00 0.00 34.50 32.05 2g0u s PRO 5 CO 0.54 -0.97 0.08 0.95 0.04 0.00 0.00 177.00 177.63 2g0u s THR 6 N -1.68 0.17 -0.39 1.26 -4.23 -1.26 -5.12 115.64 104.39 2g0u s THR 6 Ca 0.74 -1.43 -0.33 0.00 -1.18 0.00 0.00 61.69 59.49 2g0u s THR 6 Cb -0.27 -1.34 -0.11 0.00 1.34 0.00 0.00 72.50 72.12 2g0u s THR 6 CO 0.30 -0.79 2.25 -2.65 -0.54 0.00 0.00 174.62 173.19 2g0u n PRO 7 N 0.14 1.09 -3.66 3.99 -0.02 -1.26 -4.94 135.00 130.35 2g0u n PRO 7 Ca -0.15 0.27 -0.05 0.00 -2.02 0.00 0.00 63.50 61.54 2g0u n PRO 7 Cb 0.61 -2.58 -0.07 0.00 -0.02 0.00 0.00 33.50 31.44 2g0u n PRO 7 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 2g0u s LEU 8 N 8.02 -0.84 0.05 2.45 2.96 -1.26 -5.18 118.68 124.89 2g0u s LEU 8 Ca 1.09 1.32 -0.06 0.00 -0.22 0.00 0.00 54.13 56.26 2g0u s LEU 8 Cb -0.76 1.94 -0.01 0.00 0.50 0.00 0.00 46.19 47.86 2g0u s LEU 8 CO 0.45 -0.22 0.12 -0.76 -1.32 0.00 0.00 176.35 174.62 2g0u s LEU 9 N 2.38 1.74 0.81 -0.68 1.43 -1.26 -5.17 118.68 117.92 2g0u s LEU 9 Ca -0.06 -0.59 -0.11 0.00 -1.03 0.00 0.00 54.13 52.34 2g0u s LEU 9 Cb -0.10 0.70 0.08 0.00 0.03 0.00 0.00 46.19 46.90 2g0u s LEU 9 CO -0.17 -0.58 1.11 0.00 0.23 0.00 0.00 176.35 176.95 2g0u s ALA 10 N -3.05 2.04 0.16 4.21 0.00 -1.26 -5.09 121.76 118.77 2g0u s ALA 10 Ca -0.01 0.39 -0.14 0.00 0.00 0.00 0.00 51.96 52.20 2g0u s ALA 10 Cb 0.01 -3.33 0.02 0.00 0.00 0.00 0.00 23.12 19.82 2g0u s ALA 10 CO -0.07 -2.03 0.39 0.34 0.00 0.00 0.00 175.76 174.40 2g0u s ASP 11 N -3.12 -0.14 0.00 0.00 2.15 -1.26 -5.03 116.67 109.28 2g0u s ASP 11 Ca 0.63 -0.54 0.00 0.00 0.43 0.00 0.00 52.55 53.08 2g0u s ASP 11 Cb -0.19 0.49 0.00 0.00 -0.30 0.00 0.00 42.92 42.92 2g0u s ASP 11 CO 0.56 -0.92 0.78 -1.22 -0.17 0.00 0.00 175.17 174.19 2g0u n TYR 12 N -0.25 0.00 -0.13 -5.34 4.01 -1.26 -0.67 117.16 113.52 2g0u n TYR 12 Ca -0.12 0.00 0.20 0.00 -0.16 0.00 0.00 57.90 57.82 2g0u n TYR 12 Cb 0.63 -0.30 0.60 0.00 -0.31 0.00 0.00 39.34 39.96 2g0u n TYR 12 CO 0.00 0.00 0.00 1.49 -0.46 0.00 0.00 176.86 177.89 2g0u h GLU 13 N 0.00 0.21 0.00 -0.72 4.57 -2.02 -3.39 114.58 113.23 2g0u h GLU 13 Ca 0.00 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.17 2g0u h GLU 13 Cb 0.19 -0.05 0.00 0.00 -0.16 0.00 0.00 28.75 28.73 2g0u h GLU 13 CO 0.00 0.14 0.00 -2.67 -1.18 0.00 0.00 179.01 175.30 2g0u n TRP 14 N -4.42 0.00 -2.07 0.92 4.27 -0.83 -5.14 117.44 110.17 2g0u n TRP 14 Ca 0.15 0.00 -0.27 0.00 -3.89 0.00 0.00 57.50 53.48 2g0u n TRP 14 Cb 0.66 0.00 0.08 0.00 -1.36 0.00 0.00 31.31 30.69 2g0u n TRP 14 CO 0.00 0.00 0.00 0.45 -2.29 0.00 0.00 177.69 175.85 2g0u s SER 15 N -0.46 4.63 0.00 -0.67 0.15 0.15 -4.19 113.70 113.31 2g0u s SER 15 Ca 0.00 0.58 0.00 0.00 0.70 0.00 0.00 55.95 57.23 2g0u s SER 15 Cb 0.00 -1.15 0.00 0.00 -1.71 0.00 0.00 66.02 63.16 2g0u s SER 15 CO 0.00 -1.77 0.00 0.61 1.20 0.00 0.00 173.24 173.28 2g0u n GLY 16 N -3.12 1.03 0.23 9.45 0.00 -1.26 -4.26 105.19 107.26 2g0u n GLY 16 Ca 0.08 -0.01 0.07 0.00 0.00 0.00 0.00 46.02 46.17 2g0u n GLY 16 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 2g0u h TYR 17 N 0.00 0.00 -0.17 1.61 0.05 -1.91 -3.28 116.97 113.27 2g0u h TYR 17 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 2g0u h TYR 17 Cb 0.00 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.74 2g0u h TYR 17 CO 0.00 0.19 0.00 1.28 -1.05 0.00 0.00 178.16 178.58 2g0u n LEU 18 N -4.05 2.48 0.00 3.88 7.99 -1.26 -4.01 117.00 122.02 2g0u n LEU 18 Ca -0.02 -1.38 0.06 0.00 -0.01 0.00 0.00 56.01 54.67 2g0u n LEU 18 Cb 0.27 -0.10 0.31 0.00 -0.11 0.00 0.00 43.42 43.79 2g0u n LEU 18 CO 0.35 0.53 0.69 1.07 -1.51 0.00 0.00 177.39 178.52 2g0u n THR 19 N 0.73 0.85 -0.91 -5.08 5.66 -1.24 -4.79 114.28 109.50 2g0u n THR 19 Ca 0.10 0.21 0.00 0.00 -3.05 0.00 0.00 64.05 61.31 2g0u n THR 19 Cb 0.38 -0.99 0.00 0.00 -1.55 0.00 0.00 70.33 68.17 2g0u n THR 19 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2g0u n GLY 20 N -0.15 0.94 1.05 1.09 0.00 -1.26 -4.69 105.19 102.16 2g0u n GLY 20 Ca 0.05 -0.25 -0.19 0.00 0.00 0.00 0.00 46.02 45.63 2g0u n GLY 20 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 2g0u n ILE 21 N -0.87 0.00 0.00 -0.61 3.06 -1.26 -0.99 119.36 118.69 2g0u n ILE 21 Ca 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.25 2g0u n ILE 21 Cb 0.19 -0.14 0.00 0.00 0.54 0.00 0.00 39.64 40.22 2g0u n ILE 21 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 2g0u n GLY 22 N 1.30 1.23 0.32 4.50 0.00 -1.26 -4.48 105.19 106.80 2g0u n GLY 22 Ca 0.10 -0.01 0.18 0.00 0.00 0.00 0.00 46.02 46.28 2g0u n GLY 22 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2g0u h ARG 23 N 0.00 0.00 0.00 1.61 2.43 -1.94 -2.61 114.38 113.87 2g0u h ARG 23 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2g0u h ARG 23 Cb 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.55 2g0u h ARG 23 CO 0.00 0.00 0.08 0.00 -1.51 0.00 0.00 179.97 178.54 2g0u h ALA 24 N 1.86 1.07 0.00 2.80 0.00 -1.29 -0.30 119.26 123.40 2g0u h ALA 24 Ca 0.03 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.88 2g0u h ALA 24 Cb 0.23 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 2g0u h ALA 24 CO -0.00 -0.07 -0.27 0.35 0.00 0.00 0.00 179.25 179.25 2g0u h PHE 25 N 0.00 0.00 0.00 0.00 3.57 -1.78 -3.09 116.94 115.64 2g0u h PHE 25 Ca 0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 2g0u h PHE 25 Cb 0.16 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.90 2g0u h PHE 25 CO 0.00 0.27 -0.27 -0.25 -2.23 0.00 0.00 178.31 175.84 2g0u n ASP 26 N -3.64 0.36 0.16 0.41 8.00 -0.13 -4.37 116.55 117.34 2g0u n ASP 26 Ca -0.01 0.18 0.17 0.00 0.71 0.00 0.00 54.79 55.84 2g0u n ASP 26 Cb 0.40 -0.16 0.78 0.00 -0.02 0.00 0.00 41.12 42.11 2g0u n ASP 26 CO 0.00 0.00 0.00 -0.78 -0.39 0.00 0.00 177.20 176.03 2g0u h ASP 27 N 0.00 0.00 0.34 -2.24 3.58 -1.58 0.32 116.42 116.84 2g0u h ASP 27 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2g0u h ASP 27 Cb 0.55 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.60 2g0u h ASP 27 CO 0.00 0.00 0.00 0.61 -2.88 0.00 0.00 179.24 176.97 2g0u n GLY 28 N -1.47 -1.01 0.00 -0.78 0.00 -1.26 -3.45 105.19 97.22 2g0u n GLY 28 Ca 0.03 0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.16 2g0u n GLY 28 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2g0u n VAL 29 N -2.11 0.00 0.34 1.61 0.31 -0.27 -4.76 118.33 113.45 2g0u n VAL 29 Ca 0.01 0.00 0.15 0.00 -0.01 0.00 0.00 64.34 64.48 2g0u n VAL 29 Cb 0.12 0.15 0.79 0.00 -0.91 0.00 0.00 33.84 33.99 2g0u n VAL 29 CO 0.00 0.00 0.00 0.50 -1.32 0.00 0.00 176.83 176.01 2g0u h LYS 30 N 0.00 0.00 -0.81 5.55 3.64 -1.04 -1.68 116.57 122.23 2g0u h LYS 30 Ca 0.00 0.00 0.19 0.00 -1.27 0.00 0.00 60.65 59.57 2g0u h LYS 30 Cb 0.08 0.00 -0.14 0.00 -0.41 0.00 0.00 32.23 31.76 2g0u h LYS 30 CO 0.00 0.00 0.03 0.22 -2.27 0.00 0.00 179.45 177.43 2g0u h ASP 31 N 0.00 -0.34 -0.23 4.20 1.82 -1.85 0.17 116.42 120.18 2g0u h ASP 31 Ca 0.00 0.21 -0.16 0.00 -0.39 0.00 0.00 57.03 56.69 2g0u h ASP 31 Cb 0.72 0.36 -0.01 0.00 0.68 0.00 0.00 39.33 41.08 2g0u h ASP 31 CO 0.00 -0.20 -0.44 0.25 -1.61 0.00 0.00 179.24 177.24 2g0u h LEU 32 N 0.10 0.85 -0.99 2.28 6.46 -1.69 -0.98 115.31 121.35 2g0u h LEU 32 Ca 0.45 -0.40 -0.03 0.00 -0.12 0.00 0.00 57.88 57.78 2g0u h LEU 32 Cb 0.83 -0.24 -0.04 0.00 -0.73 0.00 0.00 40.66 40.49 2g0u h LEU 32 CO -0.71 1.16 0.36 -1.13 -0.62 0.00 0.00 178.44 177.50 2g0u h ASN 33 N 0.63 0.98 -0.54 1.25 -0.73 -1.48 -1.76 115.58 113.94 2g0u h ASN 33 Ca 0.04 -0.11 -0.10 0.00 1.87 0.00 0.00 56.30 58.00 2g0u h ASN 33 Cb 1.00 -0.25 -0.02 0.00 0.27 0.00 0.00 38.32 39.32 2g0u h ASN 33 CO 0.10 0.83 -0.06 0.50 -0.37 0.00 0.00 177.43 178.42 2g0u h LYS 34 N 1.07 1.01 -0.87 6.67 3.64 -0.35 0.35 116.57 128.09 2g0u h LYS 34 Ca 0.26 -0.34 0.03 0.00 -1.27 0.00 0.00 60.65 59.33 2g0u h LYS 34 Cb 0.11 -0.08 -0.05 0.00 -0.41 0.00 0.00 32.23 31.80 2g0u h LYS 34 CO -0.03 1.03 0.56 1.96 -2.27 0.00 0.00 179.45 180.70 2g0u h GLN 35 N 0.91 1.07 -0.16 1.90 4.20 -0.96 -0.43 115.11 121.64 2g0u h GLN 35 Ca 0.15 -0.06 -0.22 0.00 0.06 0.00 0.00 58.65 58.57 2g0u h GLN 35 Cb 0.61 -0.24 0.01 0.00 0.30 0.00 0.00 27.48 28.16 2g0u h GLN 35 CO 0.04 0.71 -0.77 1.25 -0.67 0.00 0.00 178.83 179.39 2g0u h LEU 36 N 1.10 0.96 -1.28 1.46 5.85 -0.97 -1.19 115.31 121.23 2g0u h LEU 36 Ca 0.34 -0.62 -0.06 0.00 0.84 0.00 0.00 57.88 58.38 2g0u h LEU 36 Cb -0.02 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 40.72 2g0u h LEU 36 CO -0.11 1.42 -0.20 1.56 -0.34 0.00 0.00 178.44 180.77 2g0u h GLN 37 N 0.56 0.24 -0.42 1.25 4.20 -0.84 0.52 115.11 120.62 2g0u h GLN 37 Ca -0.05 -0.07 -0.10 0.00 0.06 0.00 0.00 58.65 58.49 2g0u h GLN 37 Cb 1.39 -0.03 -0.02 0.00 0.30 0.00 0.00 27.48 29.13 2g0u h GLN 37 CO 0.16 0.44 -0.16 0.22 -0.67 0.00 0.00 178.83 178.82 2g0u h ASP 38 N 0.22 0.77 -0.29 1.46 3.58 -0.96 0.14 116.42 121.34 2g0u h ASP 38 Ca 0.04 -0.25 -0.00 0.00 0.42 0.00 0.00 57.03 57.24 2g0u h ASP 38 Cb 0.48 -0.21 -0.01 0.00 1.72 0.00 0.00 39.33 41.31 2g0u h ASP 38 CO 0.03 0.93 0.18 0.00 -2.88 0.00 0.00 179.24 177.50 2g0u h ALA 39 N 1.13 0.37 0.00 -0.78 0.00 -0.56 -1.50 119.26 117.92 2g0u h ALA 39 Ca 0.11 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 2g0u h ALA 39 Cb 0.65 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 2g0u h ALA 39 CO 0.05 -0.14 -0.18 0.37 0.00 0.00 0.00 179.25 179.35 2g0u h GLN 40 N 0.37 0.00 0.17 0.00 4.15 -0.68 0.11 115.11 119.24 2g0u h GLN 40 Ca 0.10 0.00 -0.30 0.00 0.77 0.00 0.00 58.65 59.23 2g0u h GLN 40 Cb 0.00 0.00 0.02 0.00 0.21 0.00 0.00 27.48 27.71 2g0u h GLN 40 CO -0.02 0.18 -1.34 0.00 -1.93 0.00 0.00 178.83 175.72 2g0u h ALA 41 N 1.82 0.01 -0.16 3.38 0.00 -0.79 0.44 119.26 123.96 2g0u h ALA 41 Ca -0.00 -0.88 -0.06 0.00 0.00 0.00 0.00 54.91 53.97 2g0u h ALA 41 Cb 0.47 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 2g0u h ALA 41 CO 0.02 0.88 -0.16 -0.91 0.00 0.00 0.00 179.25 179.08 2g0u h ASN 42 N 0.10 0.25 0.29 0.00 2.35 -0.87 -0.80 115.58 116.90 2g0u h ASN 42 Ca -0.18 -0.06 -0.15 0.00 -0.55 0.00 0.00 56.30 55.36 2g0u h ASN 42 Cb 2.05 -0.07 -0.01 0.00 0.05 0.00 0.00 38.32 40.34 2g0u h ASN 42 CO 0.23 0.43 -0.62 0.25 -1.65 0.00 0.00 177.43 176.07 2g0u h LEU 43 N 0.24 0.36 -0.75 1.61 5.85 -0.80 -3.08 115.31 118.74 2g0u h LEU 43 Ca 0.05 -0.21 -0.08 0.00 0.84 0.00 0.00 57.88 58.48 2g0u h LEU 43 Cb 0.43 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.33 2g0u h LEU 43 CO 0.03 0.89 0.06 0.74 -0.34 0.00 0.00 178.44 179.81 2g0u h THR 44 N 0.23 1.26 -0.32 1.05 2.02 0.89 0.20 112.91 118.23 2g0u h THR 44 Ca -0.01 -1.05 -0.00 0.00 0.77 0.00 0.00 66.41 66.12 2g0u h THR 44 Cb 1.14 0.73 -0.02 0.00 -1.74 0.00 0.00 68.15 68.27 2g0u h THR 44 CO 0.10 0.39 0.19 0.11 0.37 0.00 0.00 175.52 176.67 2g0u h LYS 45 N 0.94 0.43 -1.78 6.66 1.57 -1.20 -3.37 116.57 119.81 2g0u h LYS 45 Ca 0.18 -0.03 -0.29 0.00 -1.87 0.00 0.00 60.65 58.63 2g0u h LYS 45 Cb 0.47 -0.09 -0.29 0.00 0.08 0.00 0.00 32.23 32.39 2g0u h LYS 45 CO 0.02 0.31 -0.63 1.21 -0.57 0.00 0.00 179.45 179.79 2g0u s ASN 46 N -6.76 0.67 0.56 0.86 3.84 -0.87 -5.07 114.94 108.16 2g0u s ASN 46 Ca -0.07 -1.26 0.21 0.00 0.21 0.00 0.00 52.86 51.95 2g0u s ASN 46 Cb 0.17 0.85 1.17 0.00 -0.55 0.00 0.00 41.25 42.89 2g0u s ASN 46 CO 0.72 -0.26 1.62 -0.65 -2.79 0.00 0.00 177.10 175.74 2g0u h PRO 47 N 7.26 0.00 -0.22 0.43 0.11 -0.81 -0.63 132.00 138.14 2g0u h PRO 47 Ca 0.02 0.00 -0.21 0.00 0.11 0.00 0.00 66.00 65.92 2g0u h PRO 47 Cb 1.08 0.00 -0.37 0.00 0.11 0.00 0.00 31.00 31.82 2g0u h PRO 47 CO 0.20 0.00 -1.03 0.45 -0.21 0.00 0.00 178.00 177.42 2g0u n SER 48 N -2.58 1.49 -4.70 -2.05 2.88 -1.26 -4.93 113.62 102.48 2g0u n SER 48 Ca -0.01 -2.23 -0.42 0.00 -1.33 0.00 0.00 58.87 54.88 2g0u n SER 48 Cb 0.43 -0.39 -0.03 0.00 -0.75 0.00 0.00 64.21 63.47 2g0u n SER 48 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 2g0u s ASP 49 N -2.90 6.62 0.39 -3.46 -1.08 -0.24 -4.92 116.67 111.08 2g0u s ASP 49 Ca 0.32 2.48 0.19 0.00 -0.52 0.00 0.00 52.55 55.02 2g0u s ASP 49 Cb 0.36 -2.57 0.80 0.00 -1.46 0.00 0.00 42.92 40.05 2g0u s ASP 49 CO -0.10 -0.85 1.80 1.55 0.52 0.00 0.00 175.17 178.09 2g0u h PRO 50 N 7.91 0.00 0.06 4.34 0.13 -1.97 0.11 132.00 142.58 2g0u h PRO 50 Ca -0.42 0.00 -0.25 0.00 -0.87 0.00 0.00 66.00 64.46 2g0u h PRO 50 Cb 1.20 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.35 2g0u h PRO 50 CO 0.92 0.34 -1.01 1.15 -0.23 0.00 0.00 178.00 179.18 2g0u h THR 51 N 0.00 1.33 -0.83 1.56 2.02 -1.97 0.96 112.91 115.98 2g0u h THR 51 Ca -0.00 -2.31 0.08 0.00 0.77 0.00 0.00 66.41 64.95 2g0u h THR 51 Cb 0.77 2.61 -0.07 0.00 -1.74 0.00 0.00 68.15 69.72 2g0u h THR 51 CO 0.04 0.70 0.49 0.00 0.37 0.00 0.00 175.52 177.12 2g0u h ALA 52 N 0.31 1.17 0.14 6.16 0.00 -1.82 0.23 119.26 125.45 2g0u h ALA 52 Ca -0.14 0.02 -0.28 0.00 0.00 0.00 0.00 54.91 54.51 2g0u h ALA 52 Cb 1.69 -0.16 0.01 0.00 0.00 0.00 0.00 17.79 19.34 2g0u h ALA 52 CO 0.20 0.15 -1.25 1.25 0.00 0.00 0.00 179.25 179.59 2g0u h LEU 53 N 0.84 0.53 -0.83 0.00 5.85 -0.81 0.11 115.31 120.99 2g0u h LEU 53 Ca 0.39 -0.55 -0.01 0.00 0.84 0.00 0.00 57.88 58.56 2g0u h LEU 53 Cb 0.31 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 41.12 2g0u h LEU 53 CO -0.22 1.41 0.50 0.00 -0.34 0.00 0.00 178.44 179.79 2g0u h ALA 54 N 0.51 1.06 0.26 1.25 0.00 -0.63 0.10 119.26 121.82 2g0u h ALA 54 Ca -0.15 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.65 2g0u h ALA 54 Cb 1.96 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 19.42 2g0u h ALA 54 CO 0.21 0.53 -0.13 -0.97 0.00 0.00 0.00 179.25 178.90 2g0u h ASN 55 N 1.15 -0.30 -0.73 0.00 -1.24 -0.45 0.03 115.58 114.04 2g0u h ASN 55 Ca 0.30 -0.18 0.09 0.00 0.71 0.00 0.00 56.30 57.21 2g0u h ASN 55 Cb -0.04 0.08 -0.07 0.00 0.73 0.00 0.00 38.32 39.02 2g0u h ASN 55 CO -0.06 0.04 0.38 0.22 -1.29 0.00 0.00 177.43 176.73 2g0u h TYR 56 N -0.66 0.69 -0.52 0.67 5.03 -0.95 0.16 116.97 121.39 2g0u h TYR 56 Ca -0.04 0.03 -0.04 0.00 2.58 0.00 0.00 58.73 61.26 2g0u h TYR 56 Cb 0.46 -0.20 -0.02 0.00 1.55 0.00 0.00 36.73 38.52 2g0u h TYR 56 CO 0.02 0.28 0.16 1.96 -1.32 0.00 0.00 178.16 179.26 2g0u h GLN 57 N 0.66 0.81 -0.12 1.82 1.08 -0.70 1.00 115.11 119.66 2g0u h GLN 57 Ca 0.35 -0.18 -0.01 0.00 -1.45 0.00 0.00 58.65 57.36 2g0u h GLN 57 Cb 0.33 -0.12 -0.01 0.00 -0.05 0.00 0.00 27.48 27.63 2g0u h GLN 57 CO -0.24 0.75 0.03 1.98 -0.95 0.00 0.00 178.83 180.40 2g0u h MET 58 N 0.72 0.20 -0.26 1.46 4.05 -0.56 -0.35 114.93 120.18 2g0u h MET 58 Ca 0.17 -0.05 -0.12 0.00 -0.28 0.00 0.00 59.70 59.43 2g0u h MET 58 Cb 0.28 -0.03 -0.01 0.00 -0.80 0.00 0.00 31.60 31.04 2g0u h MET 58 CO -0.01 0.35 -0.33 0.82 0.23 0.00 0.00 176.91 177.98 2g0u h ILE 59 N 0.01 1.29 -0.29 1.77 2.04 -0.96 -2.58 117.51 118.78 2g0u h ILE 59 Ca 0.04 -1.44 -0.13 0.00 1.00 0.00 0.00 64.86 64.33 2g0u h ILE 59 Cb 0.24 1.44 -0.01 0.00 -0.74 0.00 0.00 36.82 37.75 2g0u h ILE 59 CO -0.00 0.46 -0.36 -0.03 0.00 0.00 0.00 178.15 178.22 2g0u h MET 60 N 0.48 0.65 -0.69 2.37 4.05 -0.67 0.16 114.93 121.28 2g0u h MET 60 Ca 0.06 -0.31 0.06 0.00 -0.28 0.00 0.00 59.70 59.22 2g0u h MET 60 Cb 0.80 -0.00 -0.06 0.00 -0.80 0.00 0.00 31.60 31.54 2g0u h MET 60 CO 0.07 0.91 0.39 0.77 0.23 0.00 0.00 176.91 179.28 2g0u h SER 61 N 0.54 0.59 -0.24 1.39 0.02 -0.92 0.30 113.55 115.24 2g0u h SER 61 Ca 0.05 0.03 -0.09 0.00 -0.84 0.00 0.00 61.79 60.94 2g0u h SER 61 Cb 0.87 -0.09 -0.00 0.00 0.14 0.00 0.00 62.40 63.31 2g0u h SER 61 CO 0.08 0.38 -0.21 -0.33 -1.14 0.00 0.00 176.83 175.61 2g0u h GLU 62 N 0.72 0.56 -0.20 3.45 5.08 -1.12 -2.54 114.58 120.54 2g0u h GLU 62 Ca 0.31 -0.29 0.01 0.00 -1.00 0.00 0.00 59.36 58.39 2g0u h GLU 62 Cb 0.18 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.42 2g0u h GLU 62 CO -0.18 0.87 0.09 -0.92 -1.00 0.00 0.00 179.01 177.88 2g0u h TYR 63 N 0.27 0.17 -0.41 4.33 3.20 -0.47 -0.88 116.97 123.18 2g0u h TYR 63 Ca 0.04 0.01 -0.15 0.00 3.14 0.00 0.00 58.73 61.77 2g0u h TYR 63 Cb 0.76 -0.05 -0.01 0.00 1.54 0.00 0.00 36.73 38.97 2g0u h TYR 63 CO 0.07 0.09 -0.35 -0.97 -1.64 0.00 0.00 178.16 175.37 2g0u h ASN 64 N 0.20 1.01 -0.56 -2.11 -1.24 -1.02 -2.16 115.58 109.70 2g0u h ASN 64 Ca 0.08 -0.45 -0.03 0.00 0.71 0.00 0.00 56.30 56.61 2g0u h ASN 64 Cb 0.03 -0.28 -0.02 0.00 0.73 0.00 0.00 38.32 38.77 2g0u h ASN 64 CO -0.06 1.25 0.24 0.25 -1.29 0.00 0.00 177.43 177.82 2g0u h LEU 65 N 0.79 0.75 -0.58 0.34 5.85 -1.34 -1.31 115.31 119.81 2g0u h LEU 65 Ca 0.07 -0.15 -0.04 0.00 0.84 0.00 0.00 57.88 58.60 2g0u h LEU 65 Cb 0.94 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.75 2g0u h LEU 65 CO 0.09 0.70 0.22 0.22 -0.34 0.00 0.00 178.44 179.32 2g0u h TYR 66 N 0.76 0.90 -0.69 1.25 5.03 -1.06 0.32 116.97 123.48 2g0u h TYR 66 Ca 0.19 -0.08 -0.01 0.00 2.58 0.00 0.00 58.73 61.42 2g0u h TYR 66 Cb 0.17 -0.27 -0.03 0.00 1.55 0.00 0.00 36.73 38.15 2g0u h TYR 66 CO 0.00 0.74 0.41 0.00 -1.32 0.00 0.00 178.16 177.99 2g0u h ARG 67 N 0.81 0.94 -0.53 1.82 3.08 -1.27 -0.26 114.38 118.97 2g0u h ARG 67 Ca 0.19 -0.09 -0.08 0.00 0.07 0.00 0.00 59.98 60.07 2g0u h ARG 67 Cb 0.23 -0.19 -0.02 0.00 0.08 0.00 0.00 29.97 30.06 2g0u h ARG 67 CO -0.01 0.67 -0.00 -0.91 -1.07 0.00 0.00 179.97 178.64 2g0u h ASN 68 N 0.94 0.88 -0.41 7.04 2.35 -1.01 -1.72 115.58 123.64 2g0u h ASN 68 Ca 0.25 -0.23 -0.14 0.00 -0.55 0.00 0.00 56.30 55.63 2g0u h ASN 68 Cb -0.02 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 38.11 2g0u h ASN 68 CO -0.05 0.94 -0.28 0.00 -1.65 0.00 0.00 177.43 176.40 2g0u h ALA 69 N 1.15 0.59 -0.29 -0.83 0.00 -0.59 0.23 119.26 119.52 2g0u h ALA 69 Ca 0.16 -0.41 0.03 0.00 0.00 0.00 0.00 54.91 54.68 2g0u h ALA 69 Cb 0.50 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 2g0u h ALA 69 CO 0.02 0.61 0.12 0.37 0.00 0.00 0.00 179.25 180.38 2g0u h GLN 70 N 0.74 0.25 -0.54 0.00 -0.00 -1.02 -0.51 115.11 114.04 2g0u h GLN 70 Ca 0.08 -0.02 -0.05 0.00 -0.00 0.00 0.00 58.65 58.67 2g0u h GLN 70 Cb 0.86 -0.06 -0.02 0.00 0.00 0.00 0.00 27.48 28.26 2g0u h GLN 70 CO 0.08 0.17 0.13 0.77 0.00 0.00 0.00 178.83 179.97 2g0u h SER 71 N 0.26 0.77 0.18 -0.69 0.02 -1.17 -2.93 113.55 109.99 2g0u h SER 71 Ca 0.13 -0.14 -0.15 0.00 -0.84 0.00 0.00 61.79 60.79 2g0u h SER 71 Cb 0.08 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.41 2g0u h SER 71 CO -0.12 0.76 -0.55 0.28 -1.14 0.00 0.00 176.83 176.06 2g0u h SER 72 N 0.79 0.43 -0.66 3.07 0.02 -0.68 -3.27 113.55 113.26 2g0u h SER 72 Ca 0.17 -0.23 0.00 0.00 -0.84 0.00 0.00 61.79 60.90 2g0u h SER 72 Cb 0.30 -0.12 -0.03 0.00 0.14 0.00 0.00 62.40 62.68 2g0u h SER 72 CO -0.00 0.89 0.42 0.00 -1.14 0.00 0.00 176.83 177.01 2g0u h ALA 73 N 1.11 1.49 0.00 3.77 0.00 -0.90 -0.67 119.26 124.06 2g0u h ALA 73 Ca 0.01 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 2g0u h ALA 73 Cb 1.05 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 18.57 2g0u h ALA 73 CO 0.09 0.46 -0.02 0.28 0.00 0.00 0.00 179.25 180.06 2g0u h VAL 74 N 0.91 0.28 -0.17 0.00 2.07 -1.60 -1.48 116.25 116.26 2g0u h VAL 74 Ca 0.24 -0.15 0.00 0.00 0.82 0.00 0.00 66.70 67.61 2g0u h VAL 74 Cb -0.07 1.11 0.00 0.00 -1.52 0.00 0.00 31.29 30.81 2g0u h VAL 74 CO -0.05 0.02 0.00 0.29 0.02 0.00 0.00 177.57 177.85 2g0u n LYS 75 N -3.44 1.77 -0.01 1.57 4.76 -0.34 -4.57 118.16 117.90 2g0u n LYS 75 Ca -0.02 -1.75 0.00 0.00 -2.87 0.00 0.00 58.31 53.67 2g0u n LYS 75 Cb 0.13 -1.35 0.00 0.00 -1.84 0.00 0.00 35.03 31.97 2g0u n LYS 75 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 2g0u n SER 76 N 0.97 0.49 -0.26 4.39 7.64 -0.71 -4.95 113.62 121.18 2g0u n SER 76 Ca 0.12 -1.26 0.07 0.00 1.01 0.00 0.00 58.87 58.80 2g0u n SER 76 Cb 0.45 -0.01 0.20 0.00 -1.01 0.00 0.00 64.21 63.85 2g0u n SER 76 CO 0.00 0.00 0.00 -0.03 -3.01 0.00 0.00 175.04 172.00 2g0u h MET 77 N 0.00 0.36 -0.14 1.43 -1.53 -1.54 -1.32 114.93 112.19 2g0u h MET 77 Ca 0.00 -0.02 -0.11 0.00 -3.44 0.00 0.00 59.70 56.13 2g0u h MET 77 Cb 0.89 -0.08 -0.01 0.00 -0.55 0.00 0.00 31.60 31.85 2g0u h MET 77 CO 0.00 0.24 -0.38 0.87 0.14 0.00 0.00 176.91 177.78 2g0u h LYS 78 N 0.37 0.30 -0.12 0.39 1.57 -1.92 -0.08 116.57 117.07 2g0u h LYS 78 Ca 0.44 -0.14 -0.20 0.00 -1.87 0.00 0.00 60.65 58.88 2g0u h LYS 78 Cb 0.73 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.03 2g0u h LYS 78 CO -0.47 0.64 -0.73 0.22 -0.57 0.00 0.00 179.45 178.54 2g0u h ASP 79 N 0.25 0.70 -0.38 0.86 3.58 -1.68 -1.74 116.42 118.00 2g0u h ASP 79 Ca 0.03 -0.45 -0.04 0.00 0.42 0.00 0.00 57.03 56.99 2g0u h ASP 79 Cb 0.79 -0.21 -0.02 0.00 1.72 0.00 0.00 39.33 41.62 2g0u h ASP 79 CO 0.06 1.21 0.07 0.40 -2.88 0.00 0.00 179.24 178.11 2g0u h ILE 80 N 0.41 1.24 -0.99 2.25 2.04 -1.12 -2.79 117.51 118.53 2g0u h ILE 80 Ca -0.04 -0.83 0.02 0.00 1.00 0.00 0.00 64.86 65.01 2g0u h ILE 80 Cb 1.33 1.04 -0.05 0.00 -0.74 0.00 0.00 36.82 38.40 2g0u h ILE 80 CO 0.14 0.28 0.66 -0.78 0.00 0.00 0.00 178.15 178.45 2g0u h ASP 81 N 0.48 1.13 0.19 1.72 3.58 -1.01 -0.67 116.42 121.83 2g0u h ASP 81 Ca 0.12 -0.03 0.00 0.00 0.42 0.00 0.00 57.03 57.54 2g0u h ASP 81 Cb 0.35 -0.28 0.00 0.00 1.72 0.00 0.00 39.33 41.12 2g0u h ASP 81 CO 0.01 0.81 0.00 -1.20 -2.88 0.00 0.00 179.24 175.97 2g0u n SER 82 N -4.40 0.00 -0.01 2.28 7.64 -0.66 -3.07 113.62 115.41 2g0u n SER 82 Ca 0.12 0.00 0.01 0.00 1.01 0.00 0.00 58.87 60.01 2g0u n SER 82 Cb 0.03 -0.23 0.01 0.00 -1.01 0.00 0.00 64.21 63.01 2g0u n SER 82 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2g0u n SER 83 N -1.23 1.88 0.29 6.43 7.64 -0.28 -4.66 113.62 123.69 2g0u n SER 83 Ca 0.07 -2.00 0.17 0.00 1.01 0.00 0.00 58.87 58.11 2g0u n SER 83 Cb 0.09 -0.03 0.87 0.00 -1.01 0.00 0.00 64.21 64.13 2g0u n SER 83 CO 0.00 0.00 0.00 0.40 -3.01 0.00 0.00 175.04 172.43 2g0u h ILE 84 N 0.23 0.30 -3.32 0.44 2.04 -1.43 -3.45 117.51 112.32 2g0u h ILE 84 Ca 0.00 -0.34 -0.57 0.00 1.00 0.00 0.00 64.86 64.95 2g0u h ILE 84 Cb 0.57 1.25 0.17 0.00 -0.74 0.00 0.00 36.82 38.07 2g0u h ILE 84 CO 0.00 0.05 -0.14 -0.11 0.00 0.00 0.00 178.15 177.96 2g0u n LEU 85 N -3.40 2.27 -4.62 1.44 7.94 -1.26 -4.92 117.00 114.44 2g0u n LEU 85 Ca -0.02 0.74 -0.40 0.00 -1.11 0.00 0.00 56.01 55.22 2g0u n LEU 85 Cb 0.19 -1.29 0.02 0.00 0.53 0.00 0.00 43.42 42.88 2g0u n LEU 85 CO 0.27 -2.48 0.60 -0.62 -1.11 0.00 0.00 177.39 174.04 2g0u n GLU 86 N -0.69 1.28 0.14 1.96 -0.58 -1.26 -4.92 120.64 116.56 2g0u n GLU 86 Ca 0.13 0.47 0.12 0.00 -0.42 0.00 0.00 57.16 57.45 2g0u n GLU 86 Cb 0.48 -2.12 0.50 0.00 -0.57 0.00 0.00 31.44 29.73 2g0u n GLU 86 CO 0.00 0.00 0.00 1.58 -0.48 0.00 0.00 177.13 178.23 2g0u n HIS 87 N -0.85 0.87 -4.03 -0.32 -0.00 -1.26 -4.79 115.22 104.84 2g0u n HIS 87 Ca 0.10 0.34 -0.10 0.00 -0.00 0.00 0.00 57.72 58.06 2g0u n HIS 87 Cb 0.42 -1.05 -0.11 0.00 -0.00 0.00 0.00 29.99 29.25 2g0u n HIS 87 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2g0u s HIS 88 N -3.34 0.44 0.19 1.57 5.65 -1.26 -5.17 115.29 113.37 2g0u s HIS 88 Ca 0.04 -0.59 -0.16 0.00 0.25 0.00 0.00 55.06 54.60 2g0u s HIS 88 Cb 0.09 -0.29 0.02 0.00 -1.18 0.00 0.00 32.58 31.22 2g0u s HIS 88 CO 0.40 -0.17 0.48 -1.58 -0.65 0.00 0.00 174.74 173.22 2g0u s HIS 89 N -1.78 -0.03 0.81 3.88 2.46 -1.26 -5.18 115.29 114.19 2g0u s HIS 89 Ca -0.11 -0.31 -0.11 0.00 0.47 0.00 0.00 55.06 55.00 2g0u s HIS 89 Cb -0.08 0.31 0.08 0.00 -0.13 0.00 0.00 32.58 32.77 2g0u s HIS 89 CO -0.02 -0.87 1.09 -3.38 -2.47 0.00 0.00 174.74 169.09 2g0u s HIS 90 N -3.89 2.55 0.07 3.88 -3.43 -1.26 -5.10 115.29 108.12 2g0u s HIS 90 Ca 0.10 1.39 -0.05 0.00 -0.80 0.00 0.00 55.06 55.71 2g0u s HIS 90 Cb -0.00 -3.08 -0.02 0.00 -1.43 0.00 0.00 32.58 28.04 2g0u s HIS 90 CO -0.03 -1.97 0.07 -1.01 -2.00 0.00 0.00 174.74 169.80 2g0u s HIS 91 N -2.95 0.35 0.00 0.38 3.76 -1.26 -5.32 115.29 110.25 2g0u s HIS 91 Ca 0.62 -0.84 0.00 0.00 -0.15 0.00 0.00 55.06 54.68 2g0u s HIS 91 Cb -0.17 -0.24 0.00 0.00 1.11 0.00 0.00 32.58 33.28 2g0u s HIS 91 CO 0.56 -0.45 0.00 1.58 -0.85 0.00 0.00 174.74 175.58