#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2g0u n SER 2 N 0.00 0.01 -3.63 7.83 3.41 -1.26 -5.12 113.62 114.86 2g0u n SER 2 Ca 0.00 -0.11 -0.15 0.00 -0.26 0.00 0.00 58.87 58.35 2g0u n SER 2 Cb 0.00 0.09 -0.07 0.00 -0.26 0.00 0.00 64.21 63.98 2g0u n SER 2 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2g0u s ASN 3 N -0.09 -0.40 0.25 4.04 2.20 -1.26 -5.16 114.94 114.52 2g0u s ASN 3 Ca 0.00 0.26 -0.30 0.00 -0.94 0.00 0.00 52.86 51.88 2g0u s ASN 3 Cb 0.00 0.44 -0.14 0.00 -2.00 0.00 0.00 41.25 39.55 2g0u s ASN 3 CO 0.00 -0.61 1.18 -2.65 -2.94 0.00 0.00 177.10 172.08 2g0u n PRO 4 N 0.78 1.57 -0.75 3.55 -0.02 -1.26 -4.99 135.00 133.88 2g0u n PRO 4 Ca -0.19 0.55 -0.32 0.00 -2.02 0.00 0.00 63.50 61.52 2g0u n PRO 4 Cb 0.58 -2.06 0.14 0.00 -0.02 0.00 0.00 33.50 32.15 2g0u n PRO 4 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 2g0u n PRO 5 N 1.31 -0.49 -4.11 0.52 -0.02 -1.26 -5.08 135.00 125.87 2g0u n PRO 5 Ca 0.11 -0.10 -0.09 0.00 -2.02 0.00 0.00 63.50 61.40 2g0u n PRO 5 Cb 0.30 -1.99 -0.10 0.00 -0.02 0.00 0.00 33.50 31.69 2g0u n PRO 5 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 2g0u s THR 6 N -2.45 0.46 0.68 3.45 -4.23 -1.26 -5.16 115.64 107.13 2g0u s THR 6 Ca 0.60 -1.71 -0.17 0.00 -1.18 0.00 0.00 61.69 59.23 2g0u s THR 6 Cb -0.21 -1.38 -0.03 0.00 1.34 0.00 0.00 72.50 72.21 2g0u s THR 6 CO 0.65 -0.83 0.79 -2.65 -0.54 0.00 0.00 174.62 172.04 2g0u n PRO 7 N 0.32 0.54 -0.04 3.99 -0.02 -1.26 -4.98 135.00 133.54 2g0u n PRO 7 Ca -0.15 0.23 0.04 0.00 -2.02 0.00 0.00 63.50 61.59 2g0u n PRO 7 Cb 0.60 -2.04 0.05 0.00 -0.02 0.00 0.00 33.50 32.09 2g0u n PRO 7 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 2g0u n LEU 8 N -0.82 1.98 -0.08 2.45 4.77 -1.26 -4.68 117.00 119.36 2g0u n LEU 8 Ca 0.12 -2.28 0.02 0.00 -0.03 0.00 0.00 56.01 53.84 2g0u n LEU 8 Cb 0.49 -0.16 0.02 0.00 -2.33 0.00 0.00 43.42 41.44 2g0u n LEU 8 CO 0.49 0.55 0.40 0.00 -1.33 0.00 0.00 177.39 177.50 2g0u n LEU 9 N -0.81 1.18 0.00 2.23 -0.00 -1.26 -4.78 117.00 113.56 2g0u n LEU 9 Ca 0.06 -1.44 0.00 0.00 -0.00 0.00 0.00 56.01 54.63 2g0u n LEU 9 Cb 0.42 -0.07 0.00 0.00 -0.00 0.00 0.00 43.42 43.77 2g0u n LEU 9 CO 0.00 0.35 -0.24 0.00 -0.00 0.00 0.00 177.39 177.50 2g0u n ALA 10 N -0.44 0.99 0.27 1.47 0.00 -1.26 -4.73 120.51 116.82 2g0u n ALA 10 Ca 0.03 0.00 0.16 0.00 0.00 0.00 0.00 53.44 53.62 2g0u n ALA 10 Cb 0.45 0.01 0.55 0.00 0.00 0.00 0.00 19.45 20.46 2g0u n ALA 10 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 2g0u h ASP 11 N 0.00 0.00 -4.94 0.00 3.58 -1.86 -3.45 116.42 109.75 2g0u h ASP 11 Ca 0.00 0.00 -0.12 0.00 0.42 0.00 0.00 57.03 57.33 2g0u h ASP 11 Cb 0.02 0.00 -0.20 0.00 1.72 0.00 0.00 39.33 40.87 2g0u h ASP 11 CO 0.00 0.00 -0.33 -0.47 -2.88 0.00 0.00 179.24 175.56 2g0u s TYR 12 N -3.53 -0.14 0.00 0.28 5.04 -1.26 -5.18 117.35 112.56 2g0u s TYR 12 Ca 0.03 0.20 0.00 0.00 -2.44 0.00 0.00 57.07 54.86 2g0u s TYR 12 Cb 0.08 0.07 0.00 0.00 0.35 0.00 0.00 41.96 42.46 2g0u s TYR 12 CO 0.57 -0.36 0.00 -0.85 -1.34 0.00 0.00 175.55 173.57 2g0u n GLU 13 N 1.38 0.00 0.00 4.97 -0.00 -1.26 -4.77 120.64 120.96 2g0u n GLU 13 Ca -0.21 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 56.95 2g0u n GLU 13 Cb 0.56 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 32.00 2g0u n GLU 13 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.13 178.04 2g0u n TRP 14 N 0.00 0.00 -0.20 -1.84 8.01 -1.26 -4.58 117.44 117.57 2g0u n TRP 14 Ca 0.00 -0.13 0.21 0.00 -1.31 0.00 0.00 57.50 56.27 2g0u n TRP 14 Cb 0.00 -0.13 0.58 0.00 -2.01 0.00 0.00 31.31 29.75 2g0u n TRP 14 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.69 177.34 2g0u h SER 15 N 1.29 0.27 0.15 -0.99 4.64 -1.98 -0.33 113.55 116.60 2g0u h SER 15 Ca 0.00 0.03 -0.01 0.00 -0.47 0.00 0.00 61.79 61.34 2g0u h SER 15 Cb 0.28 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.35 2g0u h SER 15 CO 0.00 0.11 -0.07 1.23 -0.87 0.00 0.00 176.83 177.23 2g0u h GLY 16 N 0.27 -0.21 1.64 -0.77 0.00 -2.01 -3.06 103.07 98.93 2g0u h GLY 16 Ca 0.44 0.08 -0.08 0.00 0.00 0.00 0.00 47.33 47.77 2g0u h GLY 16 CO -0.12 -0.08 -0.17 -1.82 0.00 0.00 0.00 176.54 174.35 2g0u h TYR 17 N -0.53 0.47 -0.04 5.60 3.20 -1.76 -0.01 116.97 123.89 2g0u h TYR 17 Ca -0.02 -0.08 0.01 0.00 3.14 0.00 0.00 58.73 61.78 2g0u h TYR 17 Cb 0.41 -0.12 -0.00 0.00 1.54 0.00 0.00 36.73 38.56 2g0u h TYR 17 CO 0.03 0.59 0.09 1.25 -1.64 0.00 0.00 178.16 178.48 2g0u h LEU 18 N 0.40 0.00 0.04 2.82 5.85 -1.10 0.01 115.31 123.33 2g0u h LEU 18 Ca 0.07 0.00 -0.37 0.00 0.84 0.00 0.00 57.88 58.42 2g0u h LEU 18 Cb 0.54 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 41.52 2g0u h LEU 18 CO 0.04 0.00 -2.15 0.41 -0.34 0.00 0.00 178.44 176.39 2g0u n THR 19 N -3.44 1.59 -0.06 1.05 -1.04 -0.93 -4.56 114.28 106.88 2g0u n THR 19 Ca -0.02 -0.46 0.14 0.00 -2.04 0.00 0.00 64.05 61.68 2g0u n THR 19 Cb 0.17 -1.72 0.56 0.00 -1.82 0.00 0.00 70.33 67.52 2g0u n THR 19 CO 0.00 0.00 0.00 1.23 -0.64 0.00 0.00 175.07 175.66 2g0u h GLY 20 N 0.57 0.42 1.23 3.41 0.00 -0.41 -1.89 103.07 106.40 2g0u h GLY 20 Ca -0.53 -0.12 0.07 0.00 0.00 0.00 0.00 47.33 46.76 2g0u h GLY 20 CO -0.14 0.06 0.32 1.19 0.00 0.00 0.00 176.54 177.97 2g0u h ILE 21 N 0.28 0.34 -0.99 2.60 2.10 -1.25 -1.11 117.51 119.48 2g0u h ILE 21 Ca 0.27 0.00 0.14 0.00 1.08 0.00 0.00 64.86 66.35 2g0u h ILE 21 Cb 0.69 0.74 -0.09 0.00 -1.09 0.00 0.00 36.82 37.07 2g0u h ILE 21 CO -0.06 0.00 0.62 1.23 -1.08 0.00 0.00 178.15 178.86 2g0u h GLY 22 N 0.00 1.61 1.94 8.18 0.00 -1.63 -1.70 103.07 111.48 2g0u h GLY 22 Ca 0.12 -0.39 -0.18 0.00 0.00 0.00 0.00 47.33 46.87 2g0u h GLY 22 CO -0.00 0.09 -0.89 -0.09 0.00 0.00 0.00 176.54 175.66 2g0u h ARG 23 N 0.89 0.00 0.00 4.80 1.12 -1.42 -3.31 114.38 116.46 2g0u h ARG 23 Ca 0.51 0.00 -0.02 0.00 -1.11 0.00 0.00 59.98 59.36 2g0u h ARG 23 Cb 0.63 0.00 -0.00 0.00 -0.01 0.00 0.00 29.97 30.59 2g0u h ARG 23 CO -0.29 0.82 -0.10 0.00 -3.11 0.00 0.00 179.97 177.29 2g0u h ALA 24 N 1.16 1.23 0.00 2.80 0.00 -1.19 -2.93 119.26 120.33 2g0u h ALA 24 Ca -0.02 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.77 2g0u h ALA 24 Cb 1.66 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.43 2g0u h ALA 24 CO 0.11 0.13 -0.12 0.74 0.00 0.00 0.00 179.25 180.11 2g0u h PHE 25 N 0.00 0.00 0.00 0.00 0.04 -1.54 0.89 116.94 116.33 2g0u h PHE 25 Ca -0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 2g0u h PHE 25 Cb 0.34 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.49 2g0u h PHE 25 CO 0.00 0.12 0.00 0.22 -0.60 0.00 0.00 178.31 178.05 2g0u h ASP 26 N 0.00 0.00 0.04 2.17 3.58 -1.75 -3.24 116.42 117.22 2g0u h ASP 26 Ca -0.00 0.00 -0.38 0.00 0.42 0.00 0.00 57.03 57.07 2g0u h ASP 26 Cb 0.28 0.00 -0.06 0.00 1.72 0.00 0.00 39.33 41.27 2g0u h ASP 26 CO 0.02 0.00 -2.36 -0.67 -2.88 0.00 0.00 179.24 173.35 2g0u n ASP 27 N -2.80 1.64 -1.65 2.28 2.03 -0.59 -4.65 116.55 112.81 2g0u n ASP 27 Ca 0.02 -0.04 0.00 0.00 0.52 0.00 0.00 54.79 55.29 2g0u n ASP 27 Cb 0.33 -0.24 0.00 0.00 -0.72 0.00 0.00 41.12 40.49 2g0u n ASP 27 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2g0u n GLY 28 N 2.11 0.84 1.47 0.27 0.00 0.20 -1.70 105.19 108.37 2g0u n GLY 28 Ca -0.40 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.62 2g0u n GLY 28 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 2g0u n VAL 29 N 1.62 0.00 -0.03 1.61 3.14 -1.26 -4.44 118.33 118.97 2g0u n VAL 29 Ca 0.00 0.00 -0.17 0.00 -2.96 0.00 0.00 64.34 61.21 2g0u n VAL 29 Cb 0.12 -0.25 -0.08 0.00 -1.06 0.00 0.00 33.84 32.57 2g0u n VAL 29 CO 0.00 0.00 0.00 0.11 -6.46 0.00 0.00 176.83 170.48 2g0u h LYS 30 N 0.00 0.66 -0.68 1.45 1.57 -1.72 -3.11 116.57 114.74 2g0u h LYS 30 Ca 0.00 -0.53 0.04 0.00 -1.87 0.00 0.00 60.65 58.29 2g0u h LYS 30 Cb 0.00 0.11 -0.04 0.00 0.08 0.00 0.00 32.23 32.38 2g0u h LYS 30 CO 0.00 1.14 0.45 0.22 -0.57 0.00 0.00 179.45 180.69 2g0u h ASP 31 N 0.32 0.68 -0.63 0.86 3.58 -1.65 -3.13 116.42 116.45 2g0u h ASP 31 Ca -0.04 -0.01 0.01 0.00 0.42 0.00 0.00 57.03 57.41 2g0u h ASP 31 Cb 1.25 -0.15 -0.03 0.00 1.72 0.00 0.00 39.33 42.12 2g0u h ASP 31 CO 0.13 0.46 0.42 0.25 -2.88 0.00 0.00 179.24 177.62 2g0u h LEU 32 N 0.78 0.72 -1.29 2.28 6.46 -1.75 0.06 115.31 122.57 2g0u h LEU 32 Ca 0.28 -0.02 -0.02 0.00 -0.12 0.00 0.00 57.88 58.00 2g0u h LEU 32 Cb 0.12 -0.18 -0.03 0.00 -0.73 0.00 0.00 40.66 39.84 2g0u h LEU 32 CO -0.08 0.53 0.28 -1.13 -0.62 0.00 0.00 178.44 177.42 2g0u h ASN 33 N 0.85 0.68 -0.10 1.25 -0.73 -1.59 -1.12 115.58 114.83 2g0u h ASN 33 Ca 0.23 -0.06 -0.16 0.00 1.87 0.00 0.00 56.30 58.18 2g0u h ASN 33 Cb -0.10 -0.17 -0.01 0.00 0.27 0.00 0.00 38.32 38.31 2g0u h ASN 33 CO -0.05 0.57 -0.50 0.50 -0.37 0.00 0.00 177.43 177.58 2g0u h LYS 34 N 0.77 0.67 -0.83 6.67 1.63 -1.32 -0.75 116.57 123.41 2g0u h LYS 34 Ca 0.19 -0.39 0.03 0.00 -0.85 0.00 0.00 60.65 59.63 2g0u h LYS 34 Cb 0.06 0.03 -0.05 0.00 -0.60 0.00 0.00 32.23 31.67 2g0u h LYS 34 CO -0.03 1.01 0.53 1.96 -3.45 0.00 0.00 179.45 179.47 2g0u h GLN 35 N 0.52 1.00 -0.21 1.90 4.20 -0.57 -0.56 115.11 121.40 2g0u h GLN 35 Ca 0.02 -0.06 -0.21 0.00 0.06 0.00 0.00 58.65 58.46 2g0u h GLN 35 Cb 1.05 -0.23 0.01 0.00 0.30 0.00 0.00 27.48 28.61 2g0u h GLN 35 CO 0.10 0.66 -0.69 1.25 -0.67 0.00 0.00 178.83 179.48 2g0u h LEU 36 N 1.03 0.97 -1.14 1.46 5.85 -1.04 -0.39 115.31 122.05 2g0u h LEU 36 Ca 0.33 -0.59 -0.08 0.00 0.84 0.00 0.00 57.88 58.39 2g0u h LEU 36 Cb 0.01 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 40.75 2g0u h LEU 36 CO -0.12 1.39 -0.22 1.56 -0.34 0.00 0.00 178.44 180.71 2g0u h GLN 37 N 0.60 0.32 -0.62 1.25 4.20 -1.04 0.79 115.11 120.61 2g0u h GLN 37 Ca -0.03 -0.10 -0.09 0.00 0.06 0.00 0.00 58.65 58.49 2g0u h GLN 37 Cb 1.32 -0.03 -0.02 0.00 0.30 0.00 0.00 27.48 29.04 2g0u h GLN 37 CO 0.15 0.54 0.02 0.22 -0.67 0.00 0.00 178.83 179.08 2g0u h ASP 38 N 0.29 1.04 -0.39 1.46 3.58 -0.96 -0.14 116.42 121.30 2g0u h ASP 38 Ca 0.05 -0.28 0.01 0.00 0.42 0.00 0.00 57.03 57.22 2g0u h ASP 38 Cb 0.56 -0.28 -0.02 0.00 1.72 0.00 0.00 39.33 41.31 2g0u h ASP 38 CO 0.04 1.08 0.25 0.00 -2.88 0.00 0.00 179.24 177.73 2g0u h ALA 39 N 1.03 0.50 0.00 -0.78 0.00 -0.62 -0.79 119.26 118.59 2g0u h ALA 39 Ca 0.18 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.03 2g0u h ALA 39 Cb 0.53 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 2g0u h ALA 39 CO 0.03 -0.07 -0.18 0.37 0.00 0.00 0.00 179.25 179.40 2g0u h GLN 40 N 0.51 0.00 0.19 0.00 4.15 -0.63 0.13 115.11 119.46 2g0u h GLN 40 Ca 0.15 0.00 -0.31 0.00 0.77 0.00 0.00 58.65 59.26 2g0u h GLN 40 Cb -0.04 0.00 0.02 0.00 0.21 0.00 0.00 27.48 27.67 2g0u h GLN 40 CO -0.04 0.18 -1.36 0.00 -1.93 0.00 0.00 178.83 175.68 2g0u h ALA 41 N 1.82 -0.03 -0.11 3.38 0.00 -0.71 0.40 119.26 124.01 2g0u h ALA 41 Ca -0.00 -0.87 -0.05 0.00 0.00 0.00 0.00 54.91 53.99 2g0u h ALA 41 Cb 0.49 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 2g0u h ALA 41 CO 0.02 0.83 -0.15 -0.91 0.00 0.00 0.00 179.25 179.05 2g0u h ASN 42 N 0.11 0.16 0.22 0.00 2.35 -0.74 -0.90 115.58 116.78 2g0u h ASN 42 Ca -0.19 -0.03 -0.18 0.00 -0.55 0.00 0.00 56.30 55.34 2g0u h ASN 42 Cb 2.07 -0.04 -0.00 0.00 0.05 0.00 0.00 38.32 40.39 2g0u h ASN 42 CO 0.24 0.33 -0.71 0.25 -1.65 0.00 0.00 177.43 175.88 2g0u h LEU 43 N 0.16 0.51 -0.91 1.61 5.85 -0.77 -3.16 115.31 118.60 2g0u h LEU 43 Ca 0.03 -0.33 -0.05 0.00 0.84 0.00 0.00 57.88 58.37 2g0u h LEU 43 Cb 0.37 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.22 2g0u h LEU 43 CO 0.02 1.07 0.20 0.74 -0.34 0.00 0.00 178.44 180.13 2g0u h THR 44 N 0.30 1.24 -0.37 1.05 2.02 0.90 0.21 112.91 118.27 2g0u h THR 44 Ca -0.03 -0.84 -0.00 0.00 0.77 0.00 0.00 66.41 66.31 2g0u h THR 44 Cb 1.29 0.52 -0.02 0.00 -1.74 0.00 0.00 68.15 68.20 2g0u h THR 44 CO 0.12 0.33 0.22 0.11 0.37 0.00 0.00 175.52 176.67 2g0u h LYS 45 N 0.97 0.49 -1.73 6.66 1.57 -1.25 -3.37 116.57 119.90 2g0u h LYS 45 Ca 0.22 -0.04 -0.30 0.00 -1.87 0.00 0.00 60.65 58.66 2g0u h LYS 45 Cb 0.28 -0.11 -0.28 0.00 0.08 0.00 0.00 32.23 32.20 2g0u h LYS 45 CO -0.01 0.35 -0.63 1.21 -0.57 0.00 0.00 179.45 179.79 2g0u s ASN 46 N -6.72 0.55 0.59 0.86 3.84 -0.78 -5.07 114.94 108.21 2g0u s ASN 46 Ca -0.08 -1.40 0.21 0.00 0.21 0.00 0.00 52.86 51.80 2g0u s ASN 46 Cb 0.17 0.88 1.15 0.00 -0.55 0.00 0.00 41.25 42.90 2g0u s ASN 46 CO 0.73 -0.24 1.62 -0.65 -2.79 0.00 0.00 177.10 175.77 2g0u h PRO 47 N 7.05 0.00 -0.23 0.43 0.11 -0.80 -0.44 132.00 138.11 2g0u h PRO 47 Ca 0.05 0.00 -0.22 0.00 0.11 0.00 0.00 66.00 65.94 2g0u h PRO 47 Cb 1.08 0.00 -0.37 0.00 0.11 0.00 0.00 31.00 31.83 2g0u h PRO 47 CO 0.18 0.00 -1.01 0.45 -0.21 0.00 0.00 178.00 177.40 2g0u n SER 48 N -2.63 1.59 -4.69 -2.05 2.88 -1.26 -4.93 113.62 102.53 2g0u n SER 48 Ca -0.01 -2.29 -0.42 0.00 -1.33 0.00 0.00 58.87 54.81 2g0u n SER 48 Cb 0.48 -0.40 -0.03 0.00 -0.75 0.00 0.00 64.21 63.51 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 -2.96 6.57 0.44 -3.46 -1.08 -0.18 -4.91 116.67 111.09 2g0u s ASP 49 Ca 0.33 2.52 0.22 0.00 -0.52 0.00 0.00 52.55 55.10 2g0u s ASP 49 Cb 0.36 -2.56 0.97 0.00 -1.46 0.00 0.00 42.92 40.24 2g0u s ASP 49 CO -0.09 -0.92 1.87 1.55 0.52 0.00 0.00 175.17 178.09 2g0u h PRO 50 N 8.60 0.00 0.21 4.34 0.13 -1.97 0.13 132.00 143.44 2g0u h PRO 50 Ca -0.43 0.00 -0.32 0.00 -0.87 0.00 0.00 66.00 64.38 2g0u h PRO 50 Cb 1.20 0.00 0.04 0.00 0.13 0.00 0.00 31.00 32.37 2g0u h PRO 50 CO 0.94 0.26 -1.37 1.15 -0.23 0.00 0.00 178.00 178.74 2g0u h THR 51 N 0.00 1.29 -0.88 1.56 2.02 -1.97 0.75 112.91 115.69 2g0u h THR 51 Ca -0.00 -2.60 0.08 0.00 0.77 0.00 0.00 66.41 64.65 2g0u h THR 51 Cb 0.67 2.93 -0.07 0.00 -1.74 0.00 0.00 68.15 69.95 2g0u h THR 51 CO 0.03 0.78 0.54 0.00 0.37 0.00 0.00 175.52 177.24 2g0u h ALA 52 N 0.19 1.23 0.14 6.16 0.00 -1.80 0.22 119.26 125.40 2g0u h ALA 52 Ca -0.23 0.00 -0.28 0.00 0.00 0.00 0.00 54.91 54.40 2g0u h ALA 52 Cb 2.06 -0.21 0.01 0.00 0.00 0.00 0.00 17.79 19.65 2g0u h ALA 52 CO 0.26 0.24 -1.26 1.25 0.00 0.00 0.00 179.25 179.74 2g0u h LEU 53 N 0.95 0.48 -0.79 0.00 5.85 -0.79 0.13 115.31 121.14 2g0u h LEU 53 Ca 0.40 -0.50 -0.02 0.00 0.84 0.00 0.00 57.88 58.59 2g0u h LEU 53 Cb 0.25 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 41.09 2g0u h LEU 53 CO -0.20 1.39 0.42 0.00 -0.34 0.00 0.00 178.44 179.70 2g0u h ALA 54 N 0.54 1.01 0.26 1.25 0.00 -0.68 0.10 119.26 121.74 2g0u h ALA 54 Ca -0.15 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.62 2g0u h ALA 54 Cb 1.98 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 19.46 2g0u h ALA 54 CO 0.21 0.54 -0.12 -0.97 0.00 0.00 0.00 179.25 178.91 2g0u h ASN 55 N 1.10 -0.29 -0.63 0.00 -1.24 -0.48 0.16 115.58 114.20 2g0u h ASN 55 Ca 0.27 -0.17 0.09 0.00 0.71 0.00 0.00 56.30 57.20 2g0u h ASN 55 Cb 0.06 0.08 -0.07 0.00 0.73 0.00 0.00 38.32 39.11 2g0u h ASN 55 CO -0.04 0.03 0.26 0.22 -1.29 0.00 0.00 177.43 176.60 2g0u h TYR 56 N -0.63 0.46 -0.71 0.67 3.20 -0.95 0.19 116.97 119.20 2g0u h TYR 56 Ca -0.04 0.03 -0.07 0.00 3.14 0.00 0.00 58.73 61.79 2g0u h TYR 56 Cb 0.45 -0.11 -0.03 0.00 1.54 0.00 0.00 36.73 38.58 2g0u h TYR 56 CO 0.01 0.13 0.17 1.96 -1.64 0.00 0.00 178.16 178.79 2g0u h GLN 57 N 0.46 1.14 -0.24 1.82 1.08 -0.68 0.16 115.11 118.86 2g0u h GLN 57 Ca 0.32 -0.28 -0.06 0.00 -1.45 0.00 0.00 58.65 57.18 2g0u h GLN 57 Cb 0.38 -0.15 -0.01 0.00 -0.05 0.00 0.00 27.48 27.65 2g0u h GLN 57 CO -0.30 1.01 -0.08 1.98 -0.95 0.00 0.00 178.83 180.49 2g0u h MET 58 N 1.08 0.47 -0.19 1.46 4.05 -0.53 -0.20 114.93 121.08 2g0u h MET 58 Ca 0.22 -0.19 -0.14 0.00 -0.28 0.00 0.00 59.70 59.31 2g0u h MET 58 Cb 0.38 -0.02 -0.01 0.00 -0.80 0.00 0.00 31.60 31.15 2g0u h MET 58 CO 0.00 0.72 -0.47 0.82 0.23 0.00 0.00 176.91 178.21 2g0u h ILE 59 N 0.20 1.32 -0.14 1.77 2.04 -0.93 -2.75 117.51 119.02 2g0u h ILE 59 Ca 0.06 -1.68 -0.11 0.00 1.00 0.00 0.00 64.86 64.13 2g0u h ILE 59 Cb 0.57 1.68 -0.01 0.00 -0.74 0.00 0.00 36.82 38.32 2g0u h ILE 59 CO 0.03 0.52 -0.38 -0.03 0.00 0.00 0.00 178.15 178.29 2g0u h MET 60 N 0.40 0.31 -0.53 2.37 4.05 -0.59 0.13 114.93 121.06 2g0u h MET 60 Ca 0.02 -0.14 -0.03 0.00 -0.28 0.00 0.00 59.70 59.27 2g0u h MET 60 Cb 0.98 -0.01 -0.03 0.00 -0.80 0.00 0.00 31.60 31.75 2g0u h MET 60 CO 0.09 0.65 0.21 0.77 0.23 0.00 0.00 176.91 178.86 2g0u h SER 61 N 0.26 0.70 -0.10 1.39 0.02 -0.86 -0.02 113.55 114.94 2g0u h SER 61 Ca 0.03 -0.08 -0.11 0.00 -0.84 0.00 0.00 61.79 60.78 2g0u h SER 61 Cb 0.80 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 63.16 2g0u h SER 61 CO 0.06 0.63 -0.38 -0.08 -1.14 0.00 0.00 176.83 175.92 2g0u h GLU 62 N 0.76 0.43 -0.67 3.45 4.57 -1.19 -3.35 114.58 118.58 2g0u h GLU 62 Ca 0.18 -0.33 0.04 0.00 -1.18 0.00 0.00 59.36 58.07 2g0u h GLU 62 Cb 0.15 0.06 -0.05 0.00 -0.16 0.00 0.00 28.75 28.76 2g0u h GLU 62 CO -0.02 0.96 0.39 -0.92 -1.18 0.00 0.00 179.01 178.25 2g0u h TYR 63 N -0.00 0.73 0.00 0.92 3.20 -0.43 -2.97 116.97 118.41 2g0u h TYR 63 Ca -0.02 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.86 2g0u h TYR 63 Cb 1.01 -0.23 -0.00 0.00 1.54 0.00 0.00 36.73 39.05 2g0u h TYR 63 CO 0.12 0.39 -0.07 -0.97 -1.64 0.00 0.00 178.16 175.99 2g0u h ASN 64 N 0.75 0.00 0.49 -2.11 -1.24 -1.14 0.14 115.58 112.47 2g0u h ASN 64 Ca 0.28 0.00 -0.02 0.00 0.71 0.00 0.00 56.30 57.27 2g0u h ASN 64 Cb 0.10 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.15 2g0u h ASN 64 CO -0.14 0.07 -0.23 0.25 -1.29 0.00 0.00 177.43 176.08 2g0u h LEU 65 N 0.00 -0.56 -1.75 0.34 6.46 -1.69 -3.24 115.31 114.88 2g0u h LEU 65 Ca -0.00 -0.06 0.00 0.00 -0.12 0.00 0.00 57.88 57.70 2g0u h LEU 65 Cb 0.21 0.14 0.00 0.00 -0.73 0.00 0.00 40.66 40.28 2g0u h LEU 65 CO 0.01 -0.16 0.00 1.88 -0.62 0.00 0.00 178.44 179.55 2g0u h TYR 66 N -1.05 0.00 -0.61 1.25 -1.99 -1.58 -3.17 116.97 109.82 2g0u h TYR 66 Ca -0.07 0.00 0.06 0.00 2.00 0.00 0.00 58.73 60.72 2g0u h TYR 66 Cb 0.59 0.00 -0.04 0.00 2.00 0.00 0.00 36.73 39.28 2g0u h TYR 66 CO 0.01 0.00 0.40 -0.09 -0.00 0.00 0.00 178.16 178.49 2g0u h ARG 67 N 0.00 0.58 0.00 4.88 9.65 -0.74 0.15 114.38 128.91 2g0u h ARG 67 Ca 0.00 -0.03 -0.01 0.00 -1.10 0.00 0.00 59.98 58.84 2g0u h ARG 67 Cb 0.41 -0.13 -0.00 0.00 -1.39 0.00 0.00 29.97 28.86 2g0u h ARG 67 CO 0.00 0.38 -0.03 -0.97 2.80 0.00 0.00 179.97 182.16 2g0u h ASN 68 N 0.60 0.00 0.04 -3.80 -1.24 -1.67 -0.43 115.58 109.07 2g0u h ASN 68 Ca 0.26 0.00 -0.36 0.00 0.71 0.00 0.00 56.30 56.91 2g0u h ASN 68 Cb 0.27 0.00 -0.05 0.00 0.73 0.00 0.00 38.32 39.27 2g0u h ASN 68 CO -0.08 0.03 -2.04 0.00 -1.29 0.00 0.00 177.43 174.05 2g0u n ALA 69 N -2.28 1.05 0.13 1.57 0.00 -0.18 -4.48 120.51 116.33 2g0u n ALA 69 Ca -0.03 -0.80 0.04 0.00 0.00 0.00 0.00 53.44 52.65 2g0u n ALA 69 Cb 0.12 -0.33 0.45 0.00 0.00 0.00 0.00 19.45 19.68 2g0u n ALA 69 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 2g0u h GLN 70 N -0.47 0.23 -0.06 0.00 5.75 -0.66 -2.66 115.11 117.24 2g0u h GLN 70 Ca -0.51 -0.04 0.02 0.00 -0.15 0.00 0.00 58.65 57.98 2g0u h GLN 70 Cb 1.72 -0.04 -0.00 0.00 1.07 0.00 0.00 27.48 30.22 2g0u h GLN 70 CO -0.15 0.29 0.08 0.77 -2.65 0.00 0.00 178.83 177.17 2g0u h SER 71 N 0.23 0.00 0.01 -0.69 0.02 -1.30 -0.35 113.55 111.47 2g0u h SER 71 Ca 0.05 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 61.00 2g0u h SER 71 Cb 0.22 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.76 2g0u h SER 71 CO 0.01 0.00 -0.01 -1.28 -1.14 0.00 0.00 176.83 174.41 2g0u h SER 72 N 0.00 0.00 0.37 3.07 0.87 -1.72 -2.24 113.55 113.90 2g0u h SER 72 Ca 0.03 0.00 -0.31 0.00 -1.23 0.00 0.00 61.79 60.28 2g0u h SER 72 Cb 0.18 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 62.09 2g0u h SER 72 CO -0.00 0.01 -1.85 0.00 -0.53 0.00 0.00 176.83 174.46 2g0u n ALA 73 N -2.47 1.41 0.04 6.23 0.00 -0.18 -4.13 120.51 121.41 2g0u n ALA 73 Ca -0.03 -0.82 0.10 0.00 0.00 0.00 0.00 53.44 52.69 2g0u n ALA 73 Cb 0.09 -0.73 0.54 0.00 0.00 0.00 0.00 19.45 19.36 2g0u n ALA 73 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2g0u h VAL 74 N 0.01 0.96 -0.03 0.00 2.07 -1.11 -0.04 116.25 118.10 2g0u h VAL 74 Ca -0.34 -0.10 0.01 0.00 0.82 0.00 0.00 66.70 67.09 2g0u h VAL 74 Cb 2.04 0.64 -0.00 0.00 -1.52 0.00 0.00 31.29 32.46 2g0u h VAL 74 CO 0.07 0.05 0.44 0.50 0.02 0.00 0.00 177.57 178.65 2g0u h LYS 75 N 0.29 0.00 0.00 1.57 1.63 -1.57 -1.03 116.57 117.46 2g0u h LYS 75 Ca 0.17 0.00 -0.07 0.00 -0.85 0.00 0.00 60.65 59.90 2g0u h LYS 75 Cb 0.31 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 31.93 2g0u h LYS 75 CO -0.04 0.00 -1.26 0.45 -3.45 0.00 0.00 179.45 175.16 2g0u n SER 76 N -2.88 3.76 0.29 4.20 2.88 -0.40 -4.69 113.62 116.78 2g0u n SER 76 Ca -0.01 -0.02 0.15 0.00 -1.33 0.00 0.00 58.87 57.66 2g0u n SER 76 Cb 0.49 0.10 0.90 0.00 -0.75 0.00 0.00 64.21 64.95 2g0u n SER 76 CO 0.00 0.00 0.00 -0.03 -1.23 0.00 0.00 175.04 173.78 2g0u h MET 77 N 0.00 0.00 -0.42 -1.46 1.85 -0.80 -1.24 114.93 112.86 2g0u h MET 77 Ca -0.10 0.00 0.12 0.00 -0.61 0.00 0.00 59.70 59.11 2g0u h MET 77 Cb 1.18 0.00 -0.02 0.00 0.43 0.00 0.00 31.60 33.19 2g0u h MET 77 CO -0.01 0.00 0.37 1.57 -0.40 0.00 0.00 176.91 178.44 2g0u h LYS 78 N 0.00 0.00 -0.11 0.39 2.10 -1.46 -0.82 116.57 116.67 2g0u h LYS 78 Ca 0.01 0.00 -0.07 0.00 -2.00 0.00 0.00 60.65 58.59 2g0u h LYS 78 Cb 0.03 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.35 2g0u h LYS 78 CO -0.00 0.00 -0.25 0.22 -2.00 0.00 0.00 179.45 177.42 2g0u h ASP 79 N 0.00 0.19 0.11 7.07 3.58 -1.51 -1.32 116.42 124.54 2g0u h ASP 79 Ca 0.20 -0.05 -0.21 0.00 0.42 0.00 0.00 57.03 57.39 2g0u h ASP 79 Cb 0.94 -0.05 0.02 0.00 1.72 0.00 0.00 39.33 41.96 2g0u h ASP 79 CO -0.00 0.45 -0.88 0.40 -2.88 0.00 0.00 179.24 176.32 2g0u h ILE 80 N 0.18 1.44 -0.73 2.25 1.08 -1.34 -3.34 117.51 117.05 2g0u h ILE 80 Ca 0.03 -2.42 0.06 0.00 -0.39 0.00 0.00 64.86 62.14 2g0u h ILE 80 Cb 0.54 2.96 -0.04 0.00 -3.07 0.00 0.00 36.82 37.21 2g0u h ILE 80 CO 0.04 0.70 0.48 -0.78 -0.69 0.00 0.00 178.15 177.90 2g0u h ASP 81 N -0.17 0.68 -0.27 1.72 3.58 -1.19 -1.93 116.42 118.84 2g0u h ASP 81 Ca -0.14 0.00 0.08 0.00 0.42 0.00 0.00 57.03 57.39 2g0u h ASP 81 Cb 1.65 -0.14 -0.01 0.00 1.72 0.00 0.00 39.33 42.54 2g0u h ASP 81 CO 0.17 0.44 0.44 -1.28 -2.88 0.00 0.00 179.24 176.12 2g0u h SER 82 N 0.77 0.00 -0.01 2.28 0.87 -1.36 -0.47 113.55 115.64 2g0u h SER 82 Ca 0.31 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.87 2g0u h SER 82 Cb 0.24 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.20 2g0u h SER 82 CO -0.10 0.00 -0.05 -1.20 -0.53 0.00 0.00 176.83 174.94 2g0u n SER 83 N -3.37 2.31 0.00 6.23 7.64 -0.73 -4.63 113.62 121.07 2g0u n SER 83 Ca 0.04 -1.73 0.00 0.00 1.01 0.00 0.00 58.87 58.19 2g0u n SER 83 Cb 0.56 0.05 0.00 0.00 -1.01 0.00 0.00 64.21 63.81 2g0u n SER 83 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2g0u n ILE 84 N 0.73 0.00 0.16 0.44 3.06 -0.44 -4.94 119.36 118.37 2g0u n ILE 84 Ca 0.15 0.00 0.02 0.00 -2.50 0.00 0.00 62.75 60.42 2g0u n ILE 84 Cb 0.49 0.60 0.09 0.00 0.54 0.00 0.00 39.64 41.37 2g0u n ILE 84 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 2g0u n LEU 85 N 0.00 0.00 -4.76 9.51 -0.00 -0.31 -4.87 117.00 116.57 2g0u n LEU 85 Ca 0.00 0.40 -0.41 0.00 -0.00 0.00 0.00 56.01 55.99 2g0u n LEU 85 Cb 0.00 -0.40 -0.01 0.00 -0.00 0.00 0.00 43.42 43.01 2g0u n LEU 85 CO 0.00 -0.34 1.21 -1.61 -0.00 0.00 0.00 177.39 176.65 2g0u s GLU 86 N -2.79 4.12 0.14 1.47 2.02 -1.26 -4.94 118.70 117.45 2g0u s GLU 86 Ca 0.03 2.58 -0.31 0.00 0.02 0.00 0.00 54.97 57.28 2g0u s GLU 86 Cb 0.03 -3.00 -0.11 0.00 0.10 0.00 0.00 34.13 31.15 2g0u s GLU 86 CO 0.07 -0.60 1.84 0.72 0.02 0.00 0.00 175.26 177.31 2g0u n HIS 87 N 1.58 2.66 0.41 1.61 8.25 -1.26 -4.92 115.22 123.55 2g0u n HIS 87 Ca 0.06 -0.15 0.12 0.00 -0.26 0.00 0.00 57.72 57.49 2g0u n HIS 87 Cb 0.38 -2.74 0.25 0.00 1.12 0.00 0.00 29.99 29.01 2g0u n HIS 87 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 2g0u h HIS 88 N 8.46 0.00 -4.28 4.41 -0.00 -1.97 -3.46 115.15 118.31 2g0u h HIS 88 Ca -0.46 0.00 -0.51 0.00 -0.00 0.00 0.00 60.37 59.40 2g0u h HIS 88 Cb 1.22 0.00 0.13 0.00 -0.00 0.00 0.00 27.41 28.76 2g0u h HIS 88 CO 0.78 0.00 0.33 -1.01 -0.00 0.00 0.00 177.93 178.02 2g0u s HIS 89 N -3.17 2.52 0.00 2.45 3.76 -1.26 -5.02 115.29 114.57 2g0u s HIS 89 Ca 0.08 1.57 0.00 0.00 -0.15 0.00 0.00 55.06 56.56 2g0u s HIS 89 Cb 0.09 -3.10 0.00 0.00 1.11 0.00 0.00 32.58 30.68 2g0u s HIS 89 CO 0.65 -1.85 0.40 -2.39 -0.85 0.00 0.00 174.74 170.70 2g0u n HIS 90 N -3.31 0.00 -3.71 1.40 1.44 -1.26 -5.10 115.22 104.68 2g0u n HIS 90 Ca 0.10 0.00 -0.12 0.00 -2.01 0.00 0.00 57.72 55.68 2g0u n HIS 90 Cb 0.53 0.01 -0.07 0.00 0.12 0.00 0.00 29.99 30.57 2g0u n HIS 90 CO 0.00 0.00 0.00 -1.58 -2.81 0.00 0.00 176.34 171.95 2g0u s HIS 91 N 0.00 -0.20 0.00 -1.40 2.46 -1.26 -5.33 115.29 109.56 2g0u s HIS 91 Ca 0.00 0.15 0.00 0.00 0.47 0.00 0.00 55.06 55.68 2g0u s HIS 91 Cb 0.00 0.16 0.00 0.00 -0.13 0.00 0.00 32.58 32.61 2g0u s HIS 91 CO 0.00 -0.52 0.00 0.72 -2.47 0.00 0.00 174.74 172.47