#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2g0u h SER 2 N 0.00 0.00 -5.13 7.83 4.64 -2.08 -3.44 113.55 115.38 2g0u h SER 2 Ca 0.00 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.20 2g0u h SER 2 Cb 0.00 0.00 -0.16 0.00 -0.31 0.00 0.00 62.40 61.93 2g0u h SER 2 CO 0.00 0.00 -0.52 0.54 -0.87 0.00 0.00 176.83 175.98 2g0u s ASN 3 N -4.48 0.22 0.69 4.97 4.22 -1.26 -5.18 114.94 114.13 2g0u s ASN 3 Ca 0.02 -0.64 -0.11 0.00 -2.14 0.00 0.00 52.86 49.99 2g0u s ASN 3 Cb 0.09 0.25 0.01 0.00 1.28 0.00 0.00 41.25 42.87 2g0u s ASN 3 CO 0.38 -0.57 1.06 -2.16 -2.04 0.00 0.00 177.10 173.77 2g0u s PRO 4 N -3.10 2.95 0.42 3.55 0.04 -1.26 -4.99 135.00 132.60 2g0u s PRO 4 Ca -0.01 0.86 0.23 0.00 0.04 0.00 0.00 61.00 62.13 2g0u s PRO 4 Cb 0.02 -2.00 0.64 0.00 0.04 0.00 0.00 34.50 33.20 2g0u s PRO 4 CO -0.07 -1.06 1.71 -1.00 0.04 0.00 0.00 177.00 176.61 2g0u h PRO 5 N -0.69 0.00 -7.31 0.56 0.13 -2.02 -3.47 132.00 119.19 2g0u h PRO 5 Ca -0.44 0.00 -0.50 0.00 -0.87 0.00 0.00 66.00 64.19 2g0u h PRO 5 Cb 1.22 0.00 0.05 0.00 0.13 0.00 0.00 31.00 32.39 2g0u h PRO 5 CO 0.58 0.20 0.41 0.95 -0.23 0.00 0.00 178.00 179.91 2g0u s THR 6 N -3.38 4.64 0.75 1.56 -4.23 -1.26 -5.05 115.64 108.67 2g0u s THR 6 Ca 0.03 0.97 -0.15 0.00 -1.18 0.00 0.00 61.69 61.36 2g0u s THR 6 Cb 0.08 -3.82 0.03 0.00 1.34 0.00 0.00 72.50 70.13 2g0u s THR 6 CO 0.66 -1.01 1.05 -2.65 -0.54 0.00 0.00 174.62 172.12 2g0u n PRO 7 N -2.43 0.44 -0.30 3.99 -0.02 -1.26 -4.91 135.00 130.51 2g0u n PRO 7 Ca 0.06 0.21 -0.03 0.00 -2.02 0.00 0.00 63.50 61.72 2g0u n PRO 7 Cb 0.54 -2.30 0.08 0.00 -0.02 0.00 0.00 33.50 31.80 2g0u n PRO 7 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 2g0u h LEU 8 N -0.42 0.91 -6.77 2.45 7.12 -1.62 -3.42 115.31 113.55 2g0u h LEU 8 Ca -0.47 -0.02 -0.28 0.00 0.13 0.00 0.00 57.88 57.24 2g0u h LEU 8 Cb 1.32 -0.22 -0.35 0.00 -0.53 0.00 0.00 40.66 40.89 2g0u h LEU 8 CO 0.47 0.65 -0.60 -0.22 -0.13 0.00 0.00 178.44 178.61 2g0u s LEU 9 N -10.14 -0.20 0.51 2.25 2.96 -1.26 -5.05 118.68 107.75 2g0u s LEU 9 Ca -0.13 -0.09 0.19 0.00 -0.22 0.00 0.00 54.13 53.88 2g0u s LEU 9 Cb 0.16 0.52 1.29 0.00 0.50 0.00 0.00 46.19 48.66 2g0u s LEU 9 CO 0.79 -0.32 2.12 0.00 -1.32 0.00 0.00 176.35 177.62 2g0u h ALA 10 N 8.29 1.78 0.00 5.97 0.00 -1.97 -1.53 119.26 131.80 2g0u h ALA 10 Ca -0.17 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.68 2g0u h ALA 10 Cb 1.15 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.93 2g0u h ALA 10 CO 0.27 0.08 0.00 -3.47 0.00 0.00 0.00 179.25 176.13 2g0u n ASP 11 N -4.30 0.00 -1.30 0.00 2.03 -1.26 -3.18 116.55 108.54 2g0u n ASP 11 Ca -0.03 0.27 0.02 0.00 0.52 0.00 0.00 54.79 55.58 2g0u n ASP 11 Cb 0.14 -0.37 0.01 0.00 -0.72 0.00 0.00 41.12 40.18 2g0u n ASP 11 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2g0u n TYR 12 N -1.37 0.00 -0.35 -0.67 9.36 -0.61 -5.00 117.16 118.52 2g0u n TYR 12 Ca 0.04 -0.42 0.25 0.00 3.32 0.00 0.00 57.90 61.09 2g0u n TYR 12 Cb 0.11 -0.07 0.51 0.00 -0.63 0.00 0.00 39.34 39.25 2g0u n TYR 12 CO 0.00 0.00 0.00 1.49 0.22 0.00 0.00 176.86 178.57 2g0u h GLU 13 N 0.76 0.34 0.00 2.98 4.81 -1.43 0.48 114.58 122.53 2g0u h GLU 13 Ca -0.22 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.99 2g0u h GLU 13 Cb 1.77 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 31.08 2g0u h GLU 13 CO 0.05 0.23 0.16 0.11 -0.73 0.00 0.00 179.01 178.83 2g0u h TRP 14 N 0.35 0.00 0.00 0.92 0.09 -1.90 -2.62 115.95 112.79 2g0u h TRP 14 Ca 0.68 0.00 0.00 0.00 0.09 0.00 0.00 58.89 59.66 2g0u h TRP 14 Cb 1.70 0.00 0.00 0.00 0.08 0.00 0.00 29.16 30.94 2g0u h TRP 14 CO -0.01 0.00 -0.70 0.43 0.09 0.00 0.00 178.44 178.25 2g0u n SER 15 N -2.83 3.52 -0.10 0.11 7.64 -0.49 -4.81 113.62 116.66 2g0u n SER 15 Ca -0.02 0.00 0.13 0.00 1.01 0.00 0.00 58.87 59.99 2g0u n SER 15 Cb 0.21 0.64 0.51 0.00 -1.01 0.00 0.00 64.21 64.56 2g0u n SER 15 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 2g0u h GLY 16 N 0.00 0.59 2.00 0.23 0.00 -0.62 -0.88 103.07 104.39 2g0u h GLY 16 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 47.33 47.16 2g0u h GLY 16 CO 0.00 0.09 0.00 -0.97 0.00 0.00 0.00 176.54 175.66 2g0u h TYR 17 N 0.40 0.00 -0.19 5.60 0.05 -1.76 -1.41 116.97 119.66 2g0u h TYR 17 Ca 0.30 0.00 -0.21 0.00 0.05 0.00 0.00 58.73 58.87 2g0u h TYR 17 Cb 0.63 0.00 -0.38 0.00 1.01 0.00 0.00 36.73 37.99 2g0u h TYR 17 CO -0.00 0.00 -1.04 1.47 -1.05 0.00 0.00 178.16 177.53 2g0u n LEU 18 N -2.90 1.41 -0.18 3.88 -0.00 -0.39 -4.06 117.00 114.75 2g0u n LEU 18 Ca -0.01 -2.56 0.29 0.00 -0.00 0.00 0.00 56.01 53.73 2g0u n LEU 18 Cb 0.17 0.16 0.73 0.00 -0.00 0.00 0.00 43.42 44.48 2g0u n LEU 18 CO 0.21 0.79 1.27 0.00 -0.00 0.00 0.00 177.39 179.67 2g0u h THR 19 N 6.07 0.53 0.00 1.47 1.03 -1.51 -3.44 112.91 117.06 2g0u h THR 19 Ca -0.17 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.23 2g0u h THR 19 Cb 1.60 0.54 0.00 0.00 -1.07 0.00 0.00 68.15 69.22 2g0u h THR 19 CO 0.15 0.00 0.00 0.61 -0.01 0.00 0.00 175.52 176.27 2g0u n GLY 20 N -1.71 2.25 0.35 2.99 0.00 -1.26 -4.96 105.19 102.84 2g0u n GLY 20 Ca 0.19 -0.22 0.10 0.00 0.00 0.00 0.00 46.02 46.09 2g0u n GLY 20 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2g0u h ILE 21 N 0.00 0.78 -0.35 -0.61 2.04 -1.90 -0.94 117.51 116.54 2g0u h ILE 21 Ca 0.00 -0.28 0.10 0.00 1.00 0.00 0.00 64.86 65.68 2g0u h ILE 21 Cb 0.00 -0.11 -0.01 0.00 -0.74 0.00 0.00 36.82 35.96 2g0u h ILE 21 CO 0.00 0.15 0.26 1.23 0.00 0.00 0.00 178.15 179.79 2g0u h GLY 22 N 0.82 0.00 0.17 5.37 0.00 -1.84 -2.59 103.07 105.01 2g0u h GLY 22 Ca 0.53 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.84 2g0u h GLY 22 CO -0.34 0.00 -1.86 -2.13 0.00 0.00 0.00 176.54 172.21 2g0u n ARG 23 N -4.34 0.65 0.34 4.80 0.63 -0.45 -4.54 116.66 113.75 2g0u n ARG 23 Ca 0.05 -0.13 0.20 0.00 -0.92 0.00 0.00 57.85 57.06 2g0u n ARG 23 Cb 0.44 -1.57 1.08 0.00 0.45 0.00 0.00 32.46 32.86 2g0u n ARG 23 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2g0u h ALA 24 N 1.92 1.12 0.00 5.13 0.00 -0.87 -0.68 119.26 125.88 2g0u h ALA 24 Ca -0.04 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 2g0u h ALA 24 Cb 1.10 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.89 2g0u h ALA 24 CO 0.00 -0.12 -0.06 0.74 0.00 0.00 0.00 179.25 179.81 2g0u h PHE 25 N 0.00 0.00 0.00 0.00 0.04 -1.80 -2.96 116.94 112.22 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 0.24 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.39 2g0u h PHE 25 CO 0.00 0.06 0.00 -3.47 -0.60 0.00 0.00 178.31 174.30 2g0u n ASP 26 N -3.24 0.00 0.27 2.17 2.03 -0.26 -4.07 116.55 113.45 2g0u n ASP 26 Ca -0.01 -0.05 0.18 0.00 0.52 0.00 0.00 54.79 55.43 2g0u n ASP 26 Cb 0.27 -0.31 0.93 0.00 -0.72 0.00 0.00 41.12 41.29 2g0u n ASP 26 CO 0.00 0.00 0.00 -0.78 -1.92 0.00 0.00 177.20 174.50 2g0u h ASP 27 N 0.00 0.00 0.02 1.67 3.58 -1.69 -1.46 116.42 118.54 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 0.30 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.35 2g0u h ASP 27 CO 0.00 0.00 -0.01 0.61 -2.88 0.00 0.00 179.24 176.96 2g0u n GLY 28 N -1.27 -0.63 0.00 -0.78 0.00 -1.26 -3.87 105.19 97.38 2g0u n GLY 28 Ca -0.00 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.57 0.00 -0.00 1.61 0.31 -0.56 -4.67 118.33 114.46 2g0u n VAL 29 Ca 0.21 -0.44 0.22 0.00 -0.01 0.00 0.00 64.34 64.32 2g0u n VAL 29 Cb 0.21 1.08 0.72 0.00 -0.91 0.00 0.00 33.84 34.94 2g0u n VAL 29 CO 0.00 0.00 0.00 0.07 -1.32 0.00 0.00 176.83 175.58 2g0u h LYS 30 N 0.00 0.00 -0.64 5.55 2.10 -1.66 -1.74 116.57 120.19 2g0u h LYS 30 Ca 0.00 0.00 0.02 0.00 -2.00 0.00 0.00 60.65 58.67 2g0u h LYS 30 Cb 0.04 0.00 -0.04 0.00 -0.90 0.00 0.00 32.23 31.33 2g0u h LYS 30 CO 0.00 0.00 0.40 0.22 -2.00 0.00 0.00 179.45 178.07 2g0u h ASP 31 N 0.00 0.68 0.69 7.07 3.58 -1.83 0.65 116.42 127.25 2g0u h ASP 31 Ca 0.26 -0.01 -0.26 0.00 0.42 0.00 0.00 57.03 57.44 2g0u h ASP 31 Cb 1.14 -0.15 -0.00 0.00 1.72 0.00 0.00 39.33 42.04 2g0u h ASP 31 CO -0.00 0.48 -1.21 0.25 -2.88 0.00 0.00 179.24 175.88 2g0u h LEU 32 N 0.81 0.36 -1.27 2.28 6.46 -1.72 -3.04 115.31 119.18 2g0u h LEU 32 Ca 0.25 -0.39 -0.02 0.00 -0.12 0.00 0.00 57.88 57.60 2g0u h LEU 32 Cb -0.03 -0.12 -0.03 0.00 -0.73 0.00 0.00 40.66 39.76 2g0u h LEU 32 CO -0.08 1.30 0.22 -1.13 -0.62 0.00 0.00 178.44 178.13 2g0u h ASN 33 N 0.06 0.66 -0.28 1.25 -0.73 -1.12 -0.75 115.58 114.67 2g0u h ASN 33 Ca -0.12 -0.07 -0.14 0.00 1.87 0.00 0.00 56.30 57.84 2g0u h ASN 33 Cb 1.94 -0.17 -0.01 0.00 0.27 0.00 0.00 38.32 40.36 2g0u h ASN 33 CO 0.19 0.58 -0.36 0.50 -0.37 0.00 0.00 177.43 177.98 2g0u h LYS 34 N 0.73 0.82 -0.99 6.67 1.63 -0.92 0.52 116.57 125.03 2g0u h LYS 34 Ca 0.18 -0.41 0.01 0.00 -0.85 0.00 0.00 60.65 59.58 2g0u h LYS 34 Cb 0.12 0.00 -0.05 0.00 -0.60 0.00 0.00 32.23 31.70 2g0u h LYS 34 CO -0.02 1.04 0.64 1.96 -3.45 0.00 0.00 179.45 179.62 2g0u h GLN 35 N 0.68 1.31 -0.22 1.90 4.20 -1.35 -0.41 115.11 121.22 2g0u h GLN 35 Ca 0.06 -0.09 -0.16 0.00 0.06 0.00 0.00 58.65 58.52 2g0u h GLN 35 Cb 0.91 -0.29 -0.00 0.00 0.30 0.00 0.00 27.48 28.40 2g0u h GLN 35 CO 0.08 0.88 -0.53 1.25 -0.67 0.00 0.00 178.83 179.84 2g0u h LEU 36 N 1.34 0.71 -0.96 1.46 5.85 -0.91 -1.32 115.31 121.49 2g0u h LEU 36 Ca 0.36 -0.37 -0.07 0.00 0.84 0.00 0.00 57.88 58.63 2g0u h LEU 36 Cb -0.13 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 40.68 2g0u h LEU 36 CO -0.07 1.11 -0.02 -0.61 -0.34 0.00 0.00 178.44 178.50 2g0u h GLN 37 N 0.50 0.74 -0.60 1.25 4.15 -0.67 0.86 115.11 121.34 2g0u h GLN 37 Ca 0.01 -0.20 -0.07 0.00 0.77 0.00 0.00 58.65 59.17 2g0u h GLN 37 Cb 1.09 -0.09 -0.03 0.00 0.21 0.00 0.00 27.48 28.67 2g0u h GLN 37 CO 0.11 0.76 0.11 0.22 -1.93 0.00 0.00 178.83 178.10 2g0u h ASP 38 N 0.69 0.91 -0.33 -0.69 3.58 -0.94 0.50 116.42 120.13 2g0u h ASP 38 Ca 0.13 -0.19 -0.00 0.00 0.42 0.00 0.00 57.03 57.39 2g0u h ASP 38 Cb 0.45 -0.24 -0.02 0.00 1.72 0.00 0.00 39.33 41.25 2g0u h ASP 38 CO 0.02 0.90 0.20 0.00 -2.88 0.00 0.00 179.24 177.48 2g0u h ALA 39 N 1.21 0.42 0.00 -0.78 0.00 -0.80 -1.70 119.26 117.61 2g0u h ALA 39 Ca 0.19 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 2g0u h ALA 39 Cb 0.38 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 2g0u h ALA 39 CO 0.01 -0.08 -0.11 0.37 0.00 0.00 0.00 179.25 179.43 2g0u h GLN 40 N 0.42 0.00 0.19 0.00 4.15 -0.48 0.70 115.11 120.09 2g0u h GLN 40 Ca 0.12 0.00 -0.31 0.00 0.77 0.00 0.00 58.65 59.23 2g0u h GLN 40 Cb 0.01 0.00 0.02 0.00 0.21 0.00 0.00 27.48 27.72 2g0u h GLN 40 CO -0.02 0.11 -1.39 0.00 -1.93 0.00 0.00 178.83 175.60 2g0u h ALA 41 N 1.89 -0.01 -0.52 3.38 0.00 -0.65 0.46 119.26 123.80 2g0u h ALA 41 Ca -0.00 -0.90 -0.03 0.00 0.00 0.00 0.00 54.91 53.98 2g0u h ALA 41 Cb 0.40 0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.28 2g0u h ALA 41 CO 0.01 0.86 0.20 -0.97 0.00 0.00 0.00 179.25 179.35 2g0u h ASN 42 N 0.11 0.69 -0.07 0.00 -1.24 -0.86 -0.04 115.58 114.16 2g0u h ASN 42 Ca -0.20 -0.09 -0.12 0.00 0.71 0.00 0.00 56.30 56.60 2g0u h ASN 42 Cb 2.07 -0.18 -0.01 0.00 0.73 0.00 0.00 38.32 40.93 2g0u h ASN 42 CO 0.23 0.63 -0.36 0.25 -1.29 0.00 0.00 177.43 176.90 2g0u h LEU 43 N 0.75 0.59 -0.82 0.34 5.85 -0.90 -2.83 115.31 118.29 2g0u h LEU 43 Ca 0.18 -0.25 -0.07 0.00 0.84 0.00 0.00 57.88 58.58 2g0u h LEU 43 Cb 0.17 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.01 2g0u h LEU 43 CO -0.02 0.90 0.08 0.74 -0.34 0.00 0.00 178.44 179.80 2g0u h THR 44 N 0.48 1.25 -0.36 1.05 2.02 0.10 0.22 112.91 117.67 2g0u h THR 44 Ca 0.05 -0.99 -0.00 0.00 0.77 0.00 0.00 66.41 66.23 2g0u h THR 44 Cb 0.84 0.72 -0.02 0.00 -1.74 0.00 0.00 68.15 67.95 2g0u h THR 44 CO 0.07 0.37 0.21 0.11 0.37 0.00 0.00 175.52 176.65 2g0u h LYS 45 N 0.90 0.48 -1.67 6.66 1.57 -0.99 -3.38 116.57 120.15 2g0u h LYS 45 Ca 0.18 -0.04 -0.25 0.00 -1.87 0.00 0.00 60.65 58.67 2g0u h LYS 45 Cb 0.42 -0.10 -0.28 0.00 0.08 0.00 0.00 32.23 32.35 2g0u h LYS 45 CO 0.01 0.35 -0.60 1.21 -0.57 0.00 0.00 179.45 179.85 2g0u s ASN 46 N -6.73 0.36 0.61 0.86 3.84 -0.86 -5.07 114.94 107.95 2g0u s ASN 46 Ca -0.08 -1.11 0.27 0.00 0.21 0.00 0.00 52.86 52.15 2g0u s ASN 46 Cb 0.17 1.01 1.31 0.00 -0.55 0.00 0.00 41.25 43.19 2g0u s ASN 46 CO 0.73 -0.26 1.73 -0.65 -2.79 0.00 0.00 177.10 175.86 2g0u h PRO 47 N 7.31 0.00 0.00 0.43 0.11 -0.78 -0.64 132.00 138.44 2g0u h PRO 47 Ca 0.02 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 66.05 2g0u h PRO 47 Cb 1.10 0.00 -0.16 0.00 0.11 0.00 0.00 31.00 32.05 2g0u h PRO 47 CO 0.19 0.00 -0.68 -1.13 -0.21 0.00 0.00 178.00 176.18 2g0u n SER 48 N -3.36 1.30 -4.70 -2.05 3.41 -1.26 -4.90 113.62 102.05 2g0u n SER 48 Ca 0.08 -2.84 -0.42 0.00 -0.26 0.00 0.00 58.87 55.44 2g0u n SER 48 Cb 0.79 -0.39 -0.03 0.00 -0.26 0.00 0.00 64.21 64.32 2g0u n SER 48 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2g0u s ASP 49 N -2.45 6.43 0.31 4.04 -1.08 -0.25 -4.90 116.67 118.77 2g0u s ASP 49 Ca 0.32 2.77 0.11 0.00 -0.52 0.00 0.00 52.55 55.23 2g0u s ASP 49 Cb 0.33 -2.58 0.49 0.00 -1.46 0.00 0.00 42.92 39.70 2g0u s ASP 49 CO -0.09 -0.99 1.69 1.55 0.52 0.00 0.00 175.17 177.85 2g0u h PRO 50 N 8.06 0.00 -0.18 4.34 0.13 -1.97 0.93 132.00 143.32 2g0u h PRO 50 Ca -0.45 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.53 2g0u h PRO 50 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 2g0u h PRO 50 CO 0.95 0.53 -0.47 1.15 -0.23 0.00 0.00 178.00 179.92 2g0u h THR 51 N 0.00 1.33 -0.78 1.56 2.02 -1.97 0.18 112.91 115.24 2g0u h THR 51 Ca -0.01 -1.72 0.07 0.00 0.77 0.00 0.00 66.41 65.53 2g0u h THR 51 Cb 0.94 1.94 -0.06 0.00 -1.74 0.00 0.00 68.15 69.23 2g0u h THR 51 CO 0.07 0.53 0.46 0.00 0.37 0.00 0.00 175.52 176.95 2g0u h ALA 52 N 0.57 1.08 0.13 6.16 0.00 -1.82 0.21 119.26 125.58 2g0u h ALA 52 Ca -0.01 0.01 -0.27 0.00 0.00 0.00 0.00 54.91 54.64 2g0u h ALA 52 Cb 1.09 -0.16 0.01 0.00 0.00 0.00 0.00 17.79 18.72 2g0u h ALA 52 CO 0.10 0.14 -1.23 1.25 0.00 0.00 0.00 179.25 179.51 2g0u h LEU 53 N 0.81 0.45 -0.69 0.00 5.85 -0.82 0.08 115.31 121.00 2g0u h LEU 53 Ca 0.35 -0.47 -0.01 0.00 0.84 0.00 0.00 57.88 58.59 2g0u h LEU 53 Cb 0.24 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.09 2g0u h LEU 53 CO -0.20 1.36 0.37 0.00 -0.34 0.00 0.00 178.44 179.63 2g0u h ALA 54 N 0.58 0.88 0.26 1.25 0.00 -0.49 1.00 119.26 122.73 2g0u h ALA 54 Ca -0.13 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.65 2g0u h ALA 54 Cb 1.96 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 19.47 2g0u h ALA 54 CO 0.20 0.40 -0.13 -0.97 0.00 0.00 0.00 179.25 178.76 2g0u h ASN 55 N 0.94 -0.30 -0.63 0.00 -1.24 -0.49 0.21 115.58 114.08 2g0u h ASN 55 Ca 0.24 -0.17 0.08 0.00 0.71 0.00 0.00 56.30 57.16 2g0u h ASN 55 Cb 0.05 0.08 -0.06 0.00 0.73 0.00 0.00 38.32 39.11 2g0u h ASN 55 CO -0.04 0.02 0.29 0.22 -1.29 0.00 0.00 177.43 176.63 2g0u h TYR 56 N -0.63 0.52 -0.68 0.67 3.20 -0.97 0.24 116.97 119.31 2g0u h TYR 56 Ca -0.04 0.03 -0.07 0.00 3.14 0.00 0.00 58.73 61.80 2g0u h TYR 56 Cb 0.45 -0.14 -0.03 0.00 1.54 0.00 0.00 36.73 38.56 2g0u h TYR 56 CO 0.01 0.19 0.17 1.96 -1.64 0.00 0.00 178.16 178.85 2g0u h GLN 57 N 0.52 1.08 -0.02 1.82 1.08 -0.69 0.15 115.11 119.05 2g0u h GLN 57 Ca 0.31 -0.26 -0.00 0.00 -1.45 0.00 0.00 58.65 57.24 2g0u h GLN 57 Cb 0.31 -0.14 -0.00 0.00 -0.05 0.00 0.00 27.48 27.60 2g0u h GLN 57 CO -0.25 0.96 0.00 1.98 -0.95 0.00 0.00 178.83 180.57 2g0u h MET 58 N 1.01 0.03 -0.21 1.46 4.05 -0.57 -0.37 114.93 120.33 2g0u h MET 58 Ca 0.21 -0.01 -0.09 0.00 -0.28 0.00 0.00 59.70 59.53 2g0u h MET 58 Cb 0.37 -0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 31.15 2g0u h MET 58 CO 0.00 0.28 -0.27 0.82 0.23 0.00 0.00 176.91 177.97 2g0u h ILE 59 N -0.22 1.27 -0.31 1.77 2.04 -0.91 -2.29 117.51 118.84 2g0u h ILE 59 Ca 0.01 -1.27 -0.16 0.00 1.00 0.00 0.00 64.86 64.43 2g0u h ILE 59 Cb 0.27 1.40 -0.01 0.00 -0.74 0.00 0.00 36.82 37.75 2g0u h ILE 59 CO 0.00 0.40 -0.44 -0.03 0.00 0.00 0.00 178.15 178.08 2g0u h MET 60 N 0.36 0.81 -0.63 2.37 4.05 -0.61 0.21 114.93 121.48 2g0u h MET 60 Ca 0.05 -0.45 0.05 0.00 -0.28 0.00 0.00 59.70 59.07 2g0u h MET 60 Cb 0.67 0.03 -0.05 0.00 -0.80 0.00 0.00 31.60 31.45 2g0u h MET 60 CO 0.05 1.08 0.36 1.03 0.23 0.00 0.00 176.91 179.66 2g0u h SER 61 N 0.65 0.54 -0.02 1.39 0.87 -0.88 -0.79 113.55 115.31 2g0u h SER 61 Ca 0.04 0.02 -0.00 0.00 -1.23 0.00 0.00 61.79 60.62 2g0u h SER 61 Cb 1.01 -0.09 -0.00 0.00 -0.44 0.00 0.00 62.40 62.89 2g0u h SER 61 CO 0.10 0.36 0.00 -0.33 -0.53 0.00 0.00 176.83 176.43 2g0u h GLU 62 N 0.67 0.03 -0.41 2.24 5.08 -1.27 -3.11 114.58 117.82 2g0u h GLU 62 Ca 0.28 -0.01 0.07 0.00 -1.00 0.00 0.00 59.36 58.70 2g0u h GLU 62 Cb 0.14 -0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.32 2g0u h GLU 62 CO -0.16 0.33 0.02 -0.92 -1.00 0.00 0.00 179.01 177.28 2g0u h TYR 63 N -0.26 0.02 0.01 4.33 3.20 -0.27 -0.32 116.97 123.67 2g0u h TYR 63 Ca 0.01 0.03 -0.27 0.00 3.14 0.00 0.00 58.73 61.63 2g0u h TYR 63 Cb 0.31 0.05 0.02 0.00 1.54 0.00 0.00 36.73 38.66 2g0u h TYR 63 CO 0.03 -0.06 -1.06 -0.97 -1.64 0.00 0.00 178.16 174.47 2g0u h ASN 64 N 0.13 0.92 -0.05 -2.11 -0.73 -1.26 -2.84 115.58 109.65 2g0u h ASN 64 Ca 0.20 -0.74 -0.10 0.00 1.87 0.00 0.00 56.30 57.53 2g0u h ASN 64 Cb 0.27 -0.28 0.01 0.00 0.27 0.00 0.00 38.32 38.59 2g0u h ASN 64 CO -0.31 1.54 -0.37 0.25 -0.37 0.00 0.00 177.43 178.16 2g0u h LEU 65 N 0.39 0.41 -1.24 0.34 5.85 -1.46 -3.31 115.31 116.28 2g0u h LEU 65 Ca -0.13 -0.69 -0.00 0.00 0.84 0.00 0.00 57.88 57.89 2g0u h LEU 65 Cb 1.71 -0.12 -0.00 0.00 0.37 0.00 0.00 40.66 42.62 2g0u h LEU 65 CO 0.21 1.04 -0.00 0.22 -0.34 0.00 0.00 178.44 179.56 2g0u h TYR 66 N -0.19 0.00 -0.72 1.25 3.20 -1.16 -3.28 116.97 116.07 2g0u h TYR 66 Ca -0.03 0.00 0.16 0.00 3.14 0.00 0.00 58.73 62.00 2g0u h TYR 66 Cb 1.06 0.00 -0.13 0.00 1.54 0.00 0.00 36.73 39.20 2g0u h TYR 66 CO 0.14 0.00 -0.01 -0.09 -1.64 0.00 0.00 178.16 176.57 2g0u h ARG 67 N 0.00 0.10 -0.26 1.82 9.65 -1.59 0.89 114.38 124.98 2g0u h ARG 67 Ca -0.00 -0.01 -0.04 0.00 -1.10 0.00 0.00 59.98 58.83 2g0u h ARG 67 Cb 0.59 -0.02 -0.01 0.00 -1.39 0.00 0.00 29.97 29.14 2g0u h ARG 67 CO 0.00 0.06 -0.01 -0.97 2.80 0.00 0.00 179.97 181.85 2g0u h ASN 68 N 0.10 0.46 -0.19 -3.80 -1.24 -1.79 -3.11 115.58 106.01 2g0u h ASN 68 Ca 0.39 -0.32 -0.11 0.00 0.71 0.00 0.00 56.30 56.97 2g0u h ASN 68 Cb 0.66 -0.12 -0.00 0.00 0.73 0.00 0.00 38.32 39.59 2g0u h ASN 68 CO -0.64 0.67 -0.32 0.00 -1.29 0.00 0.00 177.43 175.85 2g0u h ALA 69 N 0.81 0.29 -0.81 1.57 0.00 -1.51 -3.23 119.26 116.39 2g0u h ALA 69 Ca 0.07 -0.42 0.01 0.00 0.00 0.00 0.00 54.91 54.57 2g0u h ALA 69 Cb 0.44 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.14 2g0u h ALA 69 CO 0.02 0.33 0.53 0.37 0.00 0.00 0.00 179.25 180.50 2g0u h GLN 70 N 0.21 1.05 -0.04 0.00 5.75 -0.96 0.17 115.11 121.30 2g0u h GLN 70 Ca 0.01 -0.06 0.01 0.00 -0.15 0.00 0.00 58.65 58.46 2g0u h GLN 70 Cb 0.91 -0.24 -0.00 0.00 1.07 0.00 0.00 27.48 29.22 2g0u h GLN 70 CO 0.07 0.70 0.05 0.77 -2.65 0.00 0.00 178.83 177.77 2g0u h SER 71 N 1.09 0.00 0.03 -0.69 0.02 -1.55 -1.33 113.55 111.11 2g0u h SER 71 Ca 0.30 0.00 -0.38 0.00 -0.84 0.00 0.00 61.79 60.87 2g0u h SER 71 Cb -0.12 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 62.36 2g0u h SER 71 CO -0.07 0.00 -2.39 -1.20 -1.14 0.00 0.00 176.83 172.03 2g0u n SER 72 N -3.64 1.65 0.00 3.07 7.64 -0.80 -4.56 113.62 116.98 2g0u n SER 72 Ca -0.02 -0.06 0.03 0.00 1.01 0.00 0.00 58.87 59.83 2g0u n SER 72 Cb 0.14 -0.23 0.40 0.00 -1.01 0.00 0.00 64.21 63.52 2g0u n SER 72 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2g0u h ALA 73 N 0.20 1.65 -0.48 -0.43 0.00 -0.58 -2.38 119.26 117.24 2g0u h ALA 73 Ca -0.55 -0.06 0.08 0.00 0.00 0.00 0.00 54.91 54.38 2g0u h ALA 73 Cb 1.97 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 19.58 2g0u h ALA 73 CO -0.05 0.30 0.33 0.28 0.00 0.00 0.00 179.25 180.11 2g0u h VAL 74 N 0.54 0.91 0.00 0.00 2.07 -1.50 -1.05 116.25 117.23 2g0u h VAL 74 Ca 0.14 -0.10 0.00 0.00 0.82 0.00 0.00 66.70 67.56 2g0u h VAL 74 Cb 0.00 0.58 0.00 0.00 -1.52 0.00 0.00 31.29 30.36 2g0u h VAL 74 CO -0.02 0.05 0.00 0.50 0.02 0.00 0.00 177.57 178.12 2g0u h LYS 75 N 0.30 0.00 0.00 1.57 3.64 -1.69 -3.32 116.57 117.07 2g0u h LYS 75 Ca 0.22 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.60 2g0u h LYS 75 Cb 0.48 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.29 2g0u h LYS 75 CO -0.05 0.00 -0.42 0.43 -2.27 0.00 0.00 179.45 177.14 2g0u n SER 76 N -2.77 0.39 -0.14 4.20 7.64 -0.55 -4.95 113.62 117.44 2g0u n SER 76 Ca 0.01 -2.18 0.13 0.00 1.01 0.00 0.00 58.87 57.84 2g0u n SER 76 Cb 0.26 -0.24 0.48 0.00 -1.01 0.00 0.00 64.21 63.71 2g0u n SER 76 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2g0u h MET 77 N 0.01 0.44 -0.10 1.43 -0.00 -1.35 -1.33 114.93 114.03 2g0u h MET 77 Ca -0.00 -0.03 -0.21 0.00 -0.00 0.00 0.00 59.70 59.46 2g0u h MET 77 Cb 1.34 -0.10 0.00 0.00 -0.00 0.00 0.00 31.60 32.84 2g0u h MET 77 CO 0.00 0.29 -0.79 -0.22 -0.00 0.00 0.00 176.91 176.19 2g0u h LYS 78 N 0.45 0.60 -0.54 -0.10 3.11 -1.92 -0.50 116.57 117.68 2g0u h LYS 78 Ca 0.33 -0.51 -0.09 0.00 -2.81 0.00 0.00 60.65 57.57 2g0u h LYS 78 Cb 0.66 0.11 -0.02 0.00 -1.00 0.00 0.00 32.23 31.98 2g0u h LYS 78 CO -0.10 1.13 -0.01 0.22 -2.81 0.00 0.00 179.45 177.88 2g0u h ASP 79 N 0.40 0.91 -0.08 4.20 3.58 -1.70 -1.53 116.42 122.20 2g0u h ASP 79 Ca -0.05 -0.25 -0.01 0.00 0.42 0.00 0.00 57.03 57.14 2g0u h ASP 79 Cb 1.40 -0.24 -0.00 0.00 1.72 0.00 0.00 39.33 42.20 2g0u h ASP 79 CO 0.15 0.98 0.01 0.40 -2.88 0.00 0.00 179.24 177.90 2g0u h ILE 80 N 0.86 1.22 -0.61 2.25 2.04 -1.26 -3.12 117.51 118.90 2g0u h ILE 80 Ca 0.16 -0.69 0.07 0.00 1.00 0.00 0.00 64.86 65.40 2g0u h ILE 80 Cb 0.53 1.53 -0.04 0.00 -0.74 0.00 0.00 36.82 38.10 2g0u h ILE 80 CO 0.03 0.19 0.40 -0.78 0.00 0.00 0.00 178.15 177.99 2g0u h ASP 81 N -0.11 0.49 0.43 1.72 3.58 -0.98 -0.64 116.42 120.91 2g0u h ASP 81 Ca 0.02 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.48 2g0u h ASP 81 Cb 0.29 -0.10 0.00 0.00 1.72 0.00 0.00 39.33 41.24 2g0u h ASP 81 CO 0.00 0.31 0.00 -1.20 -2.88 0.00 0.00 179.24 175.47 2g0u n SER 82 N -4.48 0.00 -0.33 2.28 7.64 -0.58 -3.79 113.62 114.36 2g0u n SER 82 Ca 0.09 0.37 0.01 0.00 1.01 0.00 0.00 58.87 60.35 2g0u n SER 82 Cb 0.27 -0.44 0.01 0.00 -1.01 0.00 0.00 64.21 63.04 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 -1.44 0.16 -0.08 6.43 7.64 -0.30 -4.81 113.62 121.23 2g0u n SER 83 Ca 0.05 -1.78 0.02 0.00 1.01 0.00 0.00 58.87 58.17 2g0u n SER 83 Cb 0.15 -0.15 0.03 0.00 -1.01 0.00 0.00 64.21 63.23 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 -0.08 0.87 -0.84 0.44 3.06 -0.89 -5.04 119.36 116.87 2g0u n ILE 84 Ca 0.01 -0.95 -0.31 0.00 -2.50 0.00 0.00 62.75 58.99 2g0u n ILE 84 Cb 0.63 0.44 0.15 0.00 0.54 0.00 0.00 39.64 41.40 2g0u n ILE 84 CO 0.00 0.00 0.00 -0.76 -2.50 0.00 0.00 176.55 173.29 2g0u s LEU 85 N -1.09 2.92 0.24 9.51 1.43 -1.26 -5.07 118.68 125.36 2g0u s LEU 85 Ca 0.07 2.18 0.01 0.00 -1.03 0.00 0.00 54.13 55.36 2g0u s LEU 85 Cb 0.06 -4.57 -0.04 0.00 0.03 0.00 0.00 46.19 41.68 2g0u s LEU 85 CO 0.01 -2.90 0.14 -1.61 0.23 0.00 0.00 176.35 172.22 2g0u s GLU 86 N -4.58 1.35 0.22 1.70 2.02 -1.26 -5.19 118.70 112.95 2g0u s GLU 86 Ca 0.67 -1.73 0.02 0.00 0.02 0.00 0.00 54.97 53.96 2g0u s GLU 86 Cb -0.23 0.14 -0.05 0.00 0.10 0.00 0.00 34.13 34.08 2g0u s GLU 86 CO 0.56 -0.41 0.02 -1.01 0.02 0.00 0.00 175.26 174.45 2g0u s HIS 87 N -3.94 1.46 0.03 1.61 3.76 -1.26 -5.18 115.29 111.77 2g0u s HIS 87 Ca 0.39 -1.01 -0.05 0.00 -0.15 0.00 0.00 55.06 54.23 2g0u s HIS 87 Cb 0.06 -0.85 -0.01 0.00 1.11 0.00 0.00 32.58 32.89 2g0u s HIS 87 CO 0.15 -0.16 0.09 -3.38 -0.85 0.00 0.00 174.74 170.59 2g0u s HIS 88 N -3.56 0.19 -0.02 1.40 -3.43 -1.26 -5.08 115.29 103.52 2g0u s HIS 88 Ca 0.29 -0.46 0.03 0.00 -0.80 0.00 0.00 55.06 54.12 2g0u s HIS 88 Cb 0.06 -0.14 0.04 0.00 -1.43 0.00 0.00 32.58 31.12 2g0u s HIS 88 CO 0.09 -0.34 0.83 0.72 -2.00 0.00 0.00 174.74 174.04 2g0u n HIS 89 N 0.94 0.00 -1.79 0.38 8.25 -1.26 -5.09 115.22 116.64 2g0u n HIS 89 Ca -0.20 -0.26 -0.37 0.00 -0.26 0.00 0.00 57.72 56.63 2g0u n HIS 89 Cb 0.58 -0.04 0.06 0.00 1.12 0.00 0.00 29.99 31.70 2g0u n HIS 89 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 2g0u s HIS 90 N -0.65 2.13 0.02 4.41 5.04 -1.26 -5.07 115.29 119.91 2g0u s HIS 90 Ca 0.05 1.49 -0.16 0.00 -1.54 0.00 0.00 55.06 54.89 2g0u s HIS 90 Cb 0.04 -3.66 0.03 0.00 0.04 0.00 0.00 32.58 29.03 2g0u s HIS 90 CO 0.00 -2.80 0.36 -3.38 -2.34 0.00 0.00 174.74 166.58 2g0u s HIS 91 N -1.43 -0.20 0.00 3.88 -3.43 -1.26 -5.34 115.29 107.51 2g0u s HIS 91 Ca 0.82 0.19 0.00 0.00 -0.80 0.00 0.00 55.06 55.27 2g0u s HIS 91 Cb -0.36 0.15 0.00 0.00 -1.43 0.00 0.00 32.58 30.94 2g0u s HIS 91 CO 0.38 -0.50 0.00 1.58 -2.00 0.00 0.00 174.74 174.21