#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 0.26 0.05 6.12 1.04 -1.26 -5.20 113.70 114.71 2g0u s SER 2 Ca 0.00 -1.14 -0.07 0.00 0.48 0.00 0.00 55.95 55.22 2g0u s SER 2 Cb 0.00 0.68 -0.01 0.00 0.10 0.00 0.00 66.02 66.80 2g0u s SER 2 CO 0.00 -1.34 0.13 0.54 0.98 0.00 0.00 173.24 173.55 2g0u s ASN 3 N -3.10 0.16 0.84 7.02 4.22 -1.26 -5.18 114.94 117.64 2g0u s ASN 3 Ca 0.23 -0.57 -0.12 0.00 -2.14 0.00 0.00 52.86 50.26 2g0u s ASN 3 Cb -0.02 0.27 0.09 0.00 1.28 0.00 0.00 41.25 42.87 2g0u s ASN 3 CO 0.13 -0.58 1.13 -2.16 -2.04 0.00 0.00 177.10 173.58 2g0u s PRO 4 N -3.02 1.74 1.12 3.55 0.04 -1.26 -5.08 135.00 132.09 2g0u s PRO 4 Ca -0.01 0.38 -0.18 0.00 0.04 0.00 0.00 61.00 61.22 2g0u s PRO 4 Cb 0.01 -1.90 0.11 0.00 0.04 0.00 0.00 34.50 32.76 2g0u s PRO 4 CO -0.06 -1.80 0.08 -2.30 0.04 0.00 0.00 177.00 172.95 2g0u n PRO 5 N -3.51 -1.59 -4.28 0.56 -0.02 -1.26 -5.08 135.00 119.82 2g0u n PRO 5 Ca 0.07 -0.44 -0.15 0.00 -2.02 0.00 0.00 63.50 60.95 2g0u n PRO 5 Cb 0.58 -1.73 -0.10 0.00 -0.02 0.00 0.00 33.50 32.23 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 -2.25 1.26 -1.47 3.45 -4.23 -1.26 -5.05 115.64 106.09 2g0u s THR 6 Ca 0.57 -2.09 0.00 0.00 -1.18 0.00 0.00 61.69 58.99 2g0u s THR 6 Cb -0.13 -1.95 0.00 0.00 1.34 0.00 0.00 72.50 71.76 2g0u s THR 6 CO 0.66 -0.66 0.68 -2.65 -0.54 0.00 0.00 174.62 172.11 2g0u n PRO 7 N -0.26 0.00 0.32 3.99 -0.02 -1.26 -3.68 135.00 134.09 2g0u n PRO 7 Ca -0.09 0.20 0.19 0.00 -2.02 0.00 0.00 63.50 61.78 2g0u n PRO 7 Cb 0.61 -1.51 1.05 0.00 -0.02 0.00 0.00 33.50 33.62 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 0.00 0.00 -8.81 2.45 5.85 -2.04 -3.41 115.31 109.34 2g0u h LEU 8 Ca 0.00 0.00 -0.53 0.00 0.84 0.00 0.00 57.88 58.19 2g0u h LEU 8 Cb 0.03 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.06 2g0u h LEU 8 CO 0.00 0.01 1.55 -0.22 -0.34 0.00 0.00 178.44 179.44 2g0u s LEU 9 N -6.73 3.42 0.00 2.25 2.96 -1.24 -4.81 118.68 114.53 2g0u s LEU 9 Ca -0.04 1.50 0.06 0.00 -0.22 0.00 0.00 54.13 55.43 2g0u s LEU 9 Cb 0.13 -3.06 0.10 0.00 0.50 0.00 0.00 46.19 43.86 2g0u s LEU 9 CO 0.48 -2.37 0.96 0.00 -1.32 0.00 0.00 176.35 174.10 2g0u n ALA 10 N 13.56 2.20 0.12 5.97 0.00 -1.26 -4.94 120.51 136.16 2g0u n ALA 10 Ca 0.33 -1.13 0.08 0.00 0.00 0.00 0.00 53.44 52.71 2g0u n ALA 10 Cb 0.49 -0.46 0.41 0.00 0.00 0.00 0.00 19.45 19.89 2g0u n ALA 10 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2g0u n ASP 11 N 0.11 0.39 0.03 0.00 5.75 -1.26 -2.22 116.55 119.36 2g0u n ASP 11 Ca -0.00 0.67 0.19 0.00 -0.01 0.00 0.00 54.79 55.64 2g0u n ASP 11 Cb 0.77 -0.71 0.70 0.00 -1.03 0.00 0.00 41.12 40.85 2g0u n ASP 11 CO 0.00 0.00 0.00 1.88 -0.11 0.00 0.00 177.20 178.97 2g0u h TYR 12 N 0.00 0.00 0.00 2.11 0.05 -2.01 -3.30 116.97 113.82 2g0u h TYR 12 Ca 0.00 0.00 -0.12 0.00 0.05 0.00 0.00 58.73 58.66 2g0u h TYR 12 Cb 0.06 0.00 -0.04 0.00 1.01 0.00 0.00 36.73 37.76 2g0u h TYR 12 CO 0.00 0.00 -0.19 -1.91 -1.05 0.00 0.00 178.16 175.01 2g0u n GLU 13 N -4.30 1.49 0.00 4.88 0.00 -0.94 -3.17 120.64 118.60 2g0u n GLU 13 Ca 0.08 -0.64 0.00 0.00 0.00 0.00 0.00 57.16 56.61 2g0u n GLU 13 Cb 0.56 -1.71 0.00 0.00 0.00 0.00 0.00 31.44 30.29 2g0u n GLU 13 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 177.13 179.00 2g0u n TRP 14 N 2.32 0.00 -0.04 4.31 -0.00 -1.24 -4.89 117.44 117.90 2g0u n TRP 14 Ca 0.27 0.00 0.22 0.00 -0.00 0.00 0.00 57.50 58.00 2g0u n TRP 14 Cb 0.70 0.00 0.70 0.00 -0.00 0.00 0.00 31.31 32.70 2g0u n TRP 14 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 177.69 178.72 2g0u h SER 15 N 0.00 0.00 -0.75 5.87 0.87 -1.85 -1.30 113.55 116.39 2g0u h SER 15 Ca 0.00 0.00 0.22 0.00 -1.23 0.00 0.00 61.79 60.78 2g0u h SER 15 Cb 0.00 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 61.93 2g0u h SER 15 CO 0.00 0.00 0.58 1.23 -0.53 0.00 0.00 176.83 178.11 2g0u h GLY 16 N 0.00 0.00 1.45 5.77 0.00 -1.90 -1.75 103.07 106.64 2g0u h GLY 16 Ca 0.29 0.00 0.02 0.00 0.00 0.00 0.00 47.33 47.64 2g0u h GLY 16 CO -0.00 0.00 0.34 -1.82 0.00 0.00 0.00 176.54 175.06 2g0u h TYR 17 N 0.00 0.61 0.00 5.60 3.20 -1.63 -2.42 116.97 122.32 2g0u h TYR 17 Ca 0.36 0.01 -0.08 0.00 3.14 0.00 0.00 58.73 62.16 2g0u h TYR 17 Cb 1.50 -0.20 -0.01 0.00 1.54 0.00 0.00 36.73 39.56 2g0u h TYR 17 CO 0.00 0.37 -0.37 -0.07 -1.64 0.00 0.00 178.16 176.45 2g0u h LEU 18 N 0.65 0.00 -2.13 2.82 4.07 -1.52 -3.05 115.31 116.15 2g0u h LEU 18 Ca 0.20 0.00 0.05 0.00 0.08 0.00 0.00 57.88 58.21 2g0u h LEU 18 Cb -0.00 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 41.73 2g0u h LEU 18 CO -0.05 0.37 0.15 0.74 -1.08 0.00 0.00 178.44 178.57 2g0u h THR 19 N 0.00 0.72 -0.06 0.22 2.02 -1.49 0.10 112.91 114.42 2g0u h THR 19 Ca -0.00 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.19 2g0u h THR 19 Cb 1.14 0.89 -0.00 0.00 -1.74 0.00 0.00 68.15 68.44 2g0u h THR 19 CO 0.05 0.00 0.26 1.23 0.37 0.00 0.00 175.52 177.42 2g0u h GLY 20 N 0.00 0.00 0.00 2.16 0.00 -1.60 -3.25 103.07 100.38 2g0u h GLY 20 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.41 2g0u h GLY 20 CO -0.00 0.00 -0.61 4.51 0.00 0.00 0.00 176.54 180.44 2g0u n ILE 21 N -3.13 0.00 -0.18 2.60 3.06 -0.65 -4.84 119.36 116.22 2g0u n ILE 21 Ca -0.01 0.00 0.12 0.00 -2.50 0.00 0.00 62.75 60.36 2g0u n ILE 21 Cb 0.33 -0.61 0.43 0.00 0.54 0.00 0.00 39.64 40.33 2g0u n ILE 21 CO 0.00 0.00 0.00 1.23 -2.50 0.00 0.00 176.55 175.28 2g0u h GLY 22 N 0.00 0.88 0.21 4.50 0.00 -0.87 -1.87 103.07 105.91 2g0u h GLY 22 Ca 0.00 -0.24 0.16 0.00 0.00 0.00 0.00 47.33 47.25 2g0u h GLY 22 CO 0.00 0.12 0.50 3.21 0.00 0.00 0.00 176.54 180.37 2g0u h ARG 23 N 0.57 0.67 0.00 4.80 2.47 -1.82 -2.93 114.38 118.15 2g0u h ARG 23 Ca 0.36 -0.04 0.00 0.00 -1.26 0.00 0.00 59.98 59.04 2g0u h ARG 23 Cb 0.61 -0.15 0.00 0.00 -1.65 0.00 0.00 29.97 28.78 2g0u h ARG 23 CO -0.13 0.45 -0.38 0.00 0.56 0.00 0.00 179.97 180.46 2g0u h ALA 24 N 1.58 0.80 -0.12 0.04 0.00 -1.67 -2.97 119.26 116.93 2g0u h ALA 24 Ca 0.50 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.41 2g0u h ALA 24 Cb 0.71 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.50 2g0u h ALA 24 CO -0.36 0.00 0.00 1.19 0.00 0.00 0.00 179.25 180.08 2g0u n PHE 25 N -2.85 0.16 -0.55 0.00 3.72 -1.11 -3.88 117.46 112.95 2g0u n PHE 25 Ca 0.03 -0.08 0.02 0.00 -0.05 0.00 0.00 57.45 57.37 2g0u n PHE 25 Cb 0.53 0.00 0.03 0.00 -0.94 0.00 0.00 39.48 39.10 2g0u n PHE 25 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 2g0u n ASP 26 N -0.17 1.57 0.25 4.37 2.03 -1.12 -4.93 116.55 118.55 2g0u n ASP 26 Ca 0.06 -2.05 0.15 0.00 0.52 0.00 0.00 54.79 53.48 2g0u n ASP 26 Cb 0.12 -0.10 0.65 0.00 -0.72 0.00 0.00 41.12 41.07 2g0u n ASP 26 CO 0.00 0.00 0.00 -2.24 -1.92 0.00 0.00 177.20 173.04 2g0u h ASP 27 N 0.00 0.00 0.60 1.67 2.03 -1.67 0.24 116.42 119.29 2g0u h ASP 27 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 2g0u h ASP 27 Cb 0.76 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.26 2g0u h ASP 27 CO 0.00 0.00 -0.37 0.61 -1.03 0.00 0.00 179.24 178.45 2g0u n GLY 28 N -1.36 -1.28 0.00 7.15 0.00 -1.26 -4.06 105.19 104.39 2g0u n GLY 28 Ca 0.02 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.75 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 -1.46 0.00 0.16 1.61 0.31 0.40 -4.70 118.33 114.66 2g0u n VAL 29 Ca 0.06 -0.37 0.19 0.00 -0.01 0.00 0.00 64.34 64.21 2g0u n VAL 29 Cb 0.34 1.07 0.77 0.00 -0.91 0.00 0.00 33.84 35.10 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 -0.99 5.55 3.64 -0.81 0.11 116.57 124.07 2g0u h LYS 30 Ca 0.00 0.00 0.07 0.00 -1.27 0.00 0.00 60.65 59.45 2g0u h LYS 30 Cb 0.03 0.00 -0.07 0.00 -0.41 0.00 0.00 32.23 31.79 2g0u h LYS 30 CO 0.00 0.00 0.64 0.22 -2.27 0.00 0.00 179.45 178.04 2g0u h ASP 31 N 0.00 1.02 0.51 4.20 3.58 -1.84 0.21 116.42 124.10 2g0u h ASP 31 Ca 0.14 0.01 -0.30 0.00 0.42 0.00 0.00 57.03 57.30 2g0u h ASP 31 Cb 0.94 -0.21 0.02 0.00 1.72 0.00 0.00 39.33 41.80 2g0u h ASP 31 CO -0.00 0.64 -1.33 0.25 -2.88 0.00 0.00 179.24 175.93 2g0u h LEU 32 N 1.15 0.56 -1.53 2.28 6.46 -1.35 -3.16 115.31 119.72 2g0u h LEU 32 Ca 0.43 -0.60 -0.03 0.00 -0.12 0.00 0.00 57.88 57.56 2g0u h LEU 32 Cb 0.19 -0.18 -0.01 0.00 -0.73 0.00 0.00 40.66 39.92 2g0u h LEU 32 CO -0.17 1.47 -0.01 -1.13 -0.62 0.00 0.00 178.44 177.98 2g0u h ASN 33 N 0.10 0.26 -0.41 1.25 -0.00 -1.03 -1.32 115.58 114.43 2g0u h ASN 33 Ca -0.18 -0.03 -0.08 0.00 -0.00 0.00 0.00 56.30 56.01 2g0u h ASN 33 Cb 2.04 -0.07 -0.01 0.00 -0.00 0.00 0.00 38.32 40.28 2g0u h ASN 33 CO 0.23 0.32 -0.07 0.50 -0.00 0.00 0.00 177.43 178.41 2g0u h LYS 34 N 0.28 0.76 -0.78 6.67 3.64 -0.66 0.11 116.57 126.59 2g0u h LYS 34 Ca 0.07 -0.28 0.01 0.00 -1.27 0.00 0.00 60.65 59.17 2g0u h LYS 34 Cb 0.21 -0.05 -0.04 0.00 -0.41 0.00 0.00 32.23 31.94 2g0u h LYS 34 CO 0.01 0.88 0.52 1.96 -2.27 0.00 0.00 179.45 180.54 2g0u h GLN 35 N 0.58 1.03 -0.19 1.90 4.20 -1.42 -0.13 115.11 121.09 2g0u h GLN 35 Ca 0.11 -0.06 -0.19 0.00 0.06 0.00 0.00 58.65 58.56 2g0u h GLN 35 Cb 0.58 -0.23 0.00 0.00 0.30 0.00 0.00 27.48 28.13 2g0u h GLN 35 CO 0.03 0.68 -0.66 1.25 -0.67 0.00 0.00 178.83 179.46 2g0u h LEU 36 N 1.06 0.81 -1.12 1.46 5.85 -1.14 -1.56 115.31 120.68 2g0u h LEU 36 Ca 0.29 -0.49 -0.08 0.00 0.84 0.00 0.00 57.88 58.44 2g0u h LEU 36 Cb -0.12 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 40.66 2g0u h LEU 36 CO -0.06 1.26 -0.21 -0.61 -0.34 0.00 0.00 178.44 178.48 2g0u h GLN 37 N 0.51 0.37 -0.54 1.25 5.75 -0.65 0.71 115.11 122.51 2g0u h GLN 37 Ca -0.02 -0.12 -0.10 0.00 -0.15 0.00 0.00 58.65 58.26 2g0u h GLN 37 Cb 1.26 -0.03 -0.02 0.00 1.07 0.00 0.00 27.48 29.76 2g0u h GLN 37 CO 0.13 0.56 -0.06 0.22 -2.65 0.00 0.00 178.83 177.03 2g0u h ASP 38 N 0.33 0.96 -0.26 -0.69 3.58 -0.92 0.31 116.42 119.72 2g0u h ASP 38 Ca 0.06 -0.29 0.01 0.00 0.42 0.00 0.00 57.03 57.23 2g0u h ASP 38 Cb 0.56 -0.26 -0.02 0.00 1.72 0.00 0.00 39.33 41.33 2g0u h ASP 38 CO 0.04 1.05 0.14 0.00 -2.88 0.00 0.00 179.24 177.58 2g0u h ALA 39 N 1.04 0.32 0.00 -0.78 0.00 -0.77 -1.36 119.26 117.71 2g0u h ALA 39 Ca 0.15 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 55.02 2g0u h ALA 39 Cb 0.60 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 2g0u h ALA 39 CO 0.04 -0.25 -0.19 0.37 0.00 0.00 0.00 179.25 179.21 2g0u h GLN 40 N 0.29 0.00 0.18 0.00 4.15 -0.64 0.97 115.11 120.06 2g0u h GLN 40 Ca 0.11 0.00 -0.30 0.00 0.77 0.00 0.00 58.65 59.22 2g0u h GLN 40 Cb 0.02 0.00 0.02 0.00 0.21 0.00 0.00 27.48 27.73 2g0u h GLN 40 CO -0.07 0.19 -1.36 0.00 -1.93 0.00 0.00 178.83 175.67 2g0u h ALA 41 N 1.81 0.00 -0.26 3.38 0.00 -0.72 0.42 119.26 123.90 2g0u h ALA 41 Ca -0.00 -0.89 -0.05 0.00 0.00 0.00 0.00 54.91 53.97 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 0.03 0.87 -0.04 -0.91 0.00 0.00 0.00 179.25 179.20 2g0u h ASN 42 N 0.10 0.37 0.01 0.00 2.35 -0.86 -0.65 115.58 116.91 2g0u h ASN 42 Ca -0.19 -0.07 -0.16 0.00 -0.55 0.00 0.00 56.30 55.34 2g0u h ASN 42 Cb 2.06 -0.10 -0.01 0.00 0.05 0.00 0.00 38.32 40.32 2g0u h ASN 42 CO 0.23 0.47 -0.52 0.25 -1.65 0.00 0.00 177.43 176.21 2g0u h LEU 43 N 0.38 0.62 -0.95 1.61 5.85 -0.84 -3.03 115.31 118.95 2g0u h LEU 43 Ca 0.08 -0.32 -0.05 0.00 0.84 0.00 0.00 57.88 58.43 2g0u h LEU 43 Cb 0.33 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.15 2g0u h LEU 43 CO 0.01 1.03 0.21 0.74 -0.34 0.00 0.00 178.44 180.09 2g0u h THR 44 N 0.44 1.24 -0.27 1.05 2.02 0.86 0.22 112.91 118.46 2g0u h THR 44 Ca 0.01 -0.81 -0.02 0.00 0.77 0.00 0.00 66.41 66.37 2g0u h THR 44 Cb 1.06 0.51 -0.01 0.00 -1.74 0.00 0.00 68.15 67.97 2g0u h THR 44 CO 0.10 0.31 0.09 0.11 0.37 0.00 0.00 175.52 176.51 2g0u h LYS 45 N 0.95 0.38 -1.73 6.66 1.57 -1.15 -3.38 116.57 119.87 2g0u h LYS 45 Ca 0.21 -0.04 -0.29 0.00 -1.87 0.00 0.00 60.65 58.66 2g0u h LYS 45 Cb 0.25 -0.07 -0.28 0.00 0.08 0.00 0.00 32.23 32.21 2g0u h LYS 45 CO -0.01 0.33 -0.63 1.21 -0.57 0.00 0.00 179.45 179.79 2g0u s ASN 46 N -6.80 0.53 0.61 0.86 3.84 -0.79 -5.07 114.94 108.13 2g0u s ASN 46 Ca -0.07 -1.34 0.26 0.00 0.21 0.00 0.00 52.86 51.93 2g0u s ASN 46 Cb 0.17 0.90 1.27 0.00 -0.55 0.00 0.00 41.25 43.03 2g0u s ASN 46 CO 0.73 -0.25 1.70 -0.65 -2.79 0.00 0.00 177.10 175.84 2g0u h PRO 47 N 7.11 0.00 0.00 0.43 0.11 -0.77 -0.56 132.00 138.32 2g0u h PRO 47 Ca 0.04 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 66.08 2g0u h PRO 47 Cb 1.09 0.00 -0.16 0.00 0.11 0.00 0.00 31.00 32.03 2g0u h PRO 47 CO 0.18 0.00 -0.67 -1.13 -0.21 0.00 0.00 178.00 176.17 2g0u n SER 48 N -3.35 1.29 -4.69 -2.05 3.41 -1.26 -4.90 113.62 102.07 2g0u n SER 48 Ca 0.09 -2.83 -0.42 0.00 -0.26 0.00 0.00 58.87 55.45 2g0u n SER 48 Cb 0.84 -0.39 -0.03 0.00 -0.26 0.00 0.00 64.21 64.37 2g0u n SER 48 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 2g0u n ASP 49 N -0.36 4.07 0.21 4.04 -0.08 -0.22 -4.89 116.55 119.32 2g0u n ASP 49 Ca 0.11 0.98 0.08 0.00 -1.51 0.00 0.00 54.79 54.45 2g0u n ASP 49 Cb 0.88 -1.55 0.43 0.00 2.34 0.00 0.00 41.12 43.22 2g0u n ASP 49 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 2g0u h PRO 50 N 8.67 0.00 0.10 -0.67 0.13 -1.97 0.12 132.00 138.38 2g0u h PRO 50 Ca -0.47 0.00 -0.25 0.00 -0.87 0.00 0.00 66.00 64.42 2g0u h PRO 50 Cb 1.22 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.38 2g0u h PRO 50 CO 0.95 0.28 -1.02 1.15 -0.23 0.00 0.00 178.00 179.13 2g0u h THR 51 N 0.00 1.36 -0.82 1.56 2.02 -1.97 0.97 112.91 116.02 2g0u h THR 51 Ca -0.00 -2.38 0.09 0.00 0.77 0.00 0.00 66.41 64.88 2g0u h THR 51 Cb 0.76 2.76 -0.07 0.00 -1.74 0.00 0.00 68.15 69.85 2g0u h THR 51 CO 0.04 0.71 0.48 0.00 0.37 0.00 0.00 175.52 177.11 2g0u h ALA 52 N 0.26 1.17 0.13 6.16 0.00 -1.82 0.23 119.26 125.38 2g0u h ALA 52 Ca -0.15 0.03 -0.28 0.00 0.00 0.00 0.00 54.91 54.51 2g0u h ALA 52 Cb 1.73 -0.15 0.01 0.00 0.00 0.00 0.00 17.79 19.38 2g0u h ALA 52 CO 0.20 0.12 -1.24 1.25 0.00 0.00 0.00 179.25 179.58 2g0u h LEU 53 N 0.81 0.46 -0.69 0.00 5.85 -0.81 0.19 115.31 121.12 2g0u h LEU 53 Ca 0.39 -0.48 -0.01 0.00 0.84 0.00 0.00 57.88 58.62 2g0u h LEU 53 Cb 0.33 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.18 2g0u h LEU 53 CO -0.23 1.37 0.37 0.00 -0.34 0.00 0.00 178.44 179.61 2g0u h ALA 54 N 0.56 0.88 0.27 1.25 0.00 -0.62 0.11 119.26 121.71 2g0u h ALA 54 Ca -0.14 -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 19.48 2g0u h ALA 54 CO 0.21 0.40 -0.13 -0.97 0.00 0.00 0.00 179.25 178.75 2g0u h ASN 55 N 0.94 -0.31 -0.65 0.00 -1.24 -0.47 0.22 115.58 114.07 2g0u h ASN 55 Ca 0.24 -0.16 0.09 0.00 0.71 0.00 0.00 56.30 57.18 2g0u h ASN 55 Cb 0.04 0.08 -0.07 0.00 0.73 0.00 0.00 38.32 39.10 2g0u h ASN 55 CO -0.04 0.00 0.29 0.22 -1.29 0.00 0.00 177.43 176.61 2g0u h TYR 56 N -0.64 0.51 -0.68 0.67 5.03 -0.95 0.23 116.97 121.14 2g0u h TYR 56 Ca -0.04 0.03 -0.08 0.00 2.58 0.00 0.00 58.73 61.23 2g0u h TYR 56 Cb 0.45 -0.13 -0.03 0.00 1.55 0.00 0.00 36.73 38.58 2g0u h TYR 56 CO 0.01 0.16 0.13 1.96 -1.32 0.00 0.00 178.16 179.10 2g0u h GLN 57 N 0.50 1.11 -0.14 1.82 1.08 -0.66 0.16 115.11 118.98 2g0u h GLN 57 Ca 0.33 -0.28 -0.02 0.00 -1.45 0.00 0.00 58.65 57.22 2g0u h GLN 57 Cb 0.37 -0.14 -0.00 0.00 -0.05 0.00 0.00 27.48 27.66 2g0u h GLN 57 CO -0.29 1.00 -0.01 1.98 -0.95 0.00 0.00 178.83 180.56 2g0u h MET 58 N 1.04 0.25 -0.27 1.46 4.05 -0.49 -0.15 114.93 120.82 2g0u h MET 58 Ca 0.21 -0.08 -0.13 0.00 -0.28 0.00 0.00 59.70 59.42 2g0u h MET 58 Cb 0.42 -0.02 -0.01 0.00 -0.80 0.00 0.00 31.60 31.19 2g0u h MET 58 CO 0.01 0.50 -0.36 0.82 0.23 0.00 0.00 176.91 178.11 2g0u h ILE 59 N -0.03 1.29 -0.16 1.77 2.04 -0.93 -2.59 117.51 118.91 2g0u h ILE 59 Ca 0.04 -1.50 -0.11 0.00 1.00 0.00 0.00 64.86 64.29 2g0u h ILE 59 Cb 0.40 1.48 -0.01 0.00 -0.74 0.00 0.00 36.82 37.94 2g0u h ILE 59 CO 0.01 0.48 -0.37 -0.03 0.00 0.00 0.00 178.15 178.24 2g0u h MET 60 N 0.50 0.33 -0.16 2.37 4.05 -0.62 0.11 114.93 121.52 2g0u h MET 60 Ca 0.05 -0.15 0.02 0.00 -0.28 0.00 0.00 59.70 59.34 2g0u h MET 60 Cb 0.86 -0.01 -0.02 0.00 -0.80 0.00 0.00 31.60 31.63 2g0u h MET 60 CO 0.07 0.66 0.05 1.03 0.23 0.00 0.00 176.91 178.95 2g0u h SER 61 N 0.28 0.05 -0.46 1.39 0.87 -0.80 0.50 113.55 115.39 2g0u h SER 61 Ca 0.03 0.02 -0.03 0.00 -1.23 0.00 0.00 61.79 60.58 2g0u h SER 61 Cb 0.78 0.01 -0.02 0.00 -0.44 0.00 0.00 62.40 62.73 2g0u h SER 61 CO 0.06 0.05 0.18 -0.33 -0.53 0.00 0.00 176.83 176.26 2g0u h GLU 62 N 0.12 0.69 -0.20 2.24 5.08 -1.16 -1.57 114.58 119.79 2g0u h GLU 62 Ca 0.07 -0.13 0.01 0.00 -1.00 0.00 0.00 59.36 58.31 2g0u h GLU 62 Cb 0.04 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.16 2g0u h GLU 62 CO -0.07 0.63 0.08 -0.92 -1.00 0.00 0.00 179.01 177.73 2g0u h TYR 63 N 0.60 0.15 -0.02 4.33 3.20 -0.64 -2.54 116.97 122.04 2g0u h TYR 63 Ca 0.15 0.01 -0.25 0.00 3.14 0.00 0.00 58.73 61.78 2g0u h TYR 63 Cb 0.20 -0.04 0.02 0.00 1.54 0.00 0.00 36.73 38.45 2g0u h TYR 63 CO 0.00 0.08 -0.95 -0.97 -1.64 0.00 0.00 178.16 174.68 2g0u h ASN 64 N 0.19 0.88 -0.26 -2.11 -0.73 -0.87 -2.91 115.58 109.77 2g0u h ASN 64 Ca 0.08 -0.72 0.01 0.00 1.87 0.00 0.00 56.30 57.54 2g0u h ASN 64 Cb 0.03 -0.27 -0.02 0.00 0.27 0.00 0.00 38.32 38.34 2g0u h ASN 64 CO -0.07 1.48 0.14 0.25 -0.37 0.00 0.00 177.43 178.87 2g0u h LEU 65 N 0.36 0.22 -0.53 0.34 7.12 -1.30 0.29 115.31 121.82 2g0u h LEU 65 Ca -0.11 0.01 -0.00 0.00 0.13 0.00 0.00 57.88 57.90 2g0u h LEU 65 Cb 1.61 -0.04 -0.03 0.00 -0.53 0.00 0.00 40.66 41.67 2g0u h LEU 65 CO 0.19 0.17 0.33 0.22 -0.13 0.00 0.00 178.44 179.21 2g0u h TYR 66 N 0.30 0.69 -0.40 1.25 3.20 -1.51 -0.41 116.97 120.09 2g0u h TYR 66 Ca 0.10 0.00 -0.07 0.00 3.14 0.00 0.00 58.73 61.91 2g0u h TYR 66 Cb 0.01 -0.23 -0.01 0.00 1.54 0.00 0.00 36.73 38.04 2g0u h TYR 66 CO -0.08 0.47 -0.01 0.00 -1.64 0.00 0.00 178.16 176.89 2g0u h ARG 67 N 0.71 0.71 -0.82 1.82 3.08 -1.32 -1.70 114.38 116.87 2g0u h ARG 67 Ca 0.19 -0.23 0.03 0.00 0.07 0.00 0.00 59.98 60.04 2g0u h ARG 67 Cb -0.03 -0.06 -0.05 0.00 0.08 0.00 0.00 29.97 29.91 2g0u h ARG 67 CO -0.04 0.81 0.52 -0.97 -1.07 0.00 0.00 179.97 179.22 2g0u h ASN 68 N 0.54 0.86 -0.41 7.04 -0.73 -0.80 -1.33 115.58 120.75 2g0u h ASN 68 Ca 0.11 -0.00 -0.10 0.00 1.87 0.00 0.00 56.30 58.18 2g0u h ASN 68 Cb 0.49 -0.19 -0.01 0.00 0.27 0.00 0.00 38.32 38.88 2g0u h ASN 68 CO 0.02 0.59 -0.13 0.00 -0.37 0.00 0.00 177.43 177.55 2g0u h ALA 69 N 1.34 0.57 -0.15 1.57 0.00 -0.87 -0.66 119.26 121.06 2g0u h ALA 69 Ca 0.33 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 2g0u h ALA 69 Cb 0.02 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 2g0u h ALA 69 CO -0.12 0.47 0.07 0.37 0.00 0.00 0.00 179.25 180.05 2g0u h GLN 70 N 0.63 0.22 0.00 0.00 5.75 -1.16 -1.04 115.11 119.52 2g0u h GLN 70 Ca 0.10 -0.03 -0.03 0.00 -0.15 0.00 0.00 58.65 58.54 2g0u h GLN 70 Cb 0.66 -0.04 -0.00 0.00 1.07 0.00 0.00 27.48 29.17 2g0u h GLN 70 CO 0.05 0.27 -0.15 0.77 -2.65 0.00 0.00 178.83 177.12 2g0u h SER 71 N 0.12 0.00 -0.02 -0.69 0.02 -1.20 -1.69 113.55 110.10 2g0u h SER 71 Ca 0.05 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.99 2g0u h SER 71 Cb 0.12 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.66 2g0u h SER 71 CO -0.01 0.15 -0.05 0.28 -1.14 0.00 0.00 176.83 176.06 2g0u h SER 72 N 0.00 0.08 -1.00 3.07 0.02 -0.89 -3.24 113.55 111.59 2g0u h SER 72 Ca -0.00 -0.57 0.05 0.00 -0.84 0.00 0.00 61.79 60.43 2g0u h SER 72 Cb 0.29 -0.02 -0.06 0.00 0.14 0.00 0.00 62.40 62.74 2g0u h SER 72 CO 0.02 0.64 0.65 0.00 -1.14 0.00 0.00 176.83 177.00 2g0u h ALA 73 N 0.44 1.36 0.00 3.77 0.00 -0.85 -0.04 119.26 123.95 2g0u h ALA 73 Ca 0.00 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 2g0u h ALA 73 Cb 0.63 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 2g0u h ALA 73 CO 0.01 0.48 -0.01 0.28 0.00 0.00 0.00 179.25 180.01 2g0u h VAL 74 N 1.21 0.79 0.09 0.00 2.07 -1.42 -1.43 116.25 117.56 2g0u h VAL 74 Ca 0.42 -0.04 -0.36 0.00 0.82 0.00 0.00 66.70 67.54 2g0u h VAL 74 Cb 0.10 1.02 -0.03 0.00 -1.52 0.00 0.00 31.29 30.87 2g0u h VAL 74 CO -0.15 0.01 -2.03 0.29 0.02 0.00 0.00 177.57 175.70 2g0u n LYS 75 N -4.21 0.73 0.26 1.57 5.02 -0.60 -4.38 118.16 116.54 2g0u n LYS 75 Ca -0.03 0.25 0.14 0.00 -2.02 0.00 0.00 58.31 56.65 2g0u n LYS 75 Cb 0.10 -1.69 0.64 0.00 -0.02 0.00 0.00 35.03 34.05 2g0u n LYS 75 CO 0.00 0.00 0.00 0.77 -0.52 0.00 0.00 177.40 177.65 2g0u h SER 76 N 0.05 0.00 -0.77 4.39 0.02 -0.82 -3.31 113.55 113.12 2g0u h SER 76 Ca -0.43 0.00 0.21 0.00 -0.84 0.00 0.00 61.79 60.73 2g0u h SER 76 Cb 2.02 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 64.53 2g0u h SER 76 CO 0.07 0.10 0.54 0.00 -1.14 0.00 0.00 176.83 176.40 2g0u h MET 77 N 0.00 0.07 0.00 3.45 -0.00 -1.47 -1.26 114.93 115.72 2g0u h MET 77 Ca -0.00 -0.00 -0.05 0.00 -0.00 0.00 0.00 59.70 59.65 2g0u h MET 77 Cb 0.55 -0.02 -0.01 0.00 -0.00 0.00 0.00 31.60 32.12 2g0u h MET 77 CO 0.01 0.04 -0.22 1.57 -0.00 0.00 0.00 176.91 178.32 2g0u h LYS 78 N 0.07 0.00 -0.05 -0.10 2.10 -1.87 -2.57 116.57 114.15 2g0u h LYS 78 Ca 0.37 0.00 -0.11 0.00 -2.00 0.00 0.00 60.65 58.91 2g0u h LYS 78 Cb 1.37 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.68 2g0u h LYS 78 CO -0.03 0.22 -0.46 0.22 -2.00 0.00 0.00 179.45 177.40 2g0u h ASP 79 N 0.00 0.12 -0.30 7.07 3.58 -1.49 -1.62 116.42 123.79 2g0u h ASP 79 Ca -0.00 -0.06 -0.18 0.00 0.42 0.00 0.00 57.03 57.21 2g0u h ASP 79 Cb 0.53 -0.03 0.00 0.00 1.72 0.00 0.00 39.33 41.54 2g0u h ASP 79 CO 0.03 0.57 -0.53 0.40 -2.88 0.00 0.00 179.24 176.83 2g0u h ILE 80 N 0.10 1.27 -0.37 2.25 1.08 -1.56 -3.16 117.51 117.12 2g0u h ILE 80 Ca 0.00 -1.71 -0.07 0.00 -0.39 0.00 0.00 64.86 62.70 2g0u h ILE 80 Cb 0.86 1.60 -0.02 0.00 -3.07 0.00 0.00 36.82 36.19 2g0u h ILE 80 CO 0.07 0.56 -0.07 -0.78 -0.69 0.00 0.00 178.15 177.23 2g0u h ASP 81 N 0.68 0.59 0.11 1.72 3.58 -1.38 -3.12 116.42 118.60 2g0u h ASP 81 Ca 0.02 -0.15 0.00 0.00 0.42 0.00 0.00 57.03 57.32 2g0u h ASP 81 Cb 1.14 -0.16 0.00 0.00 1.72 0.00 0.00 39.33 42.03 2g0u h ASP 81 CO 0.12 0.71 0.00 0.28 -2.88 0.00 0.00 179.24 177.47 2g0u h SER 82 N 0.57 0.00 0.14 2.28 0.02 -1.26 -2.71 113.55 112.59 2g0u h SER 82 Ca 0.11 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.06 2g0u h SER 82 Cb 0.47 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.01 2g0u h SER 82 CO 0.02 0.00 0.00 -1.20 -1.14 0.00 0.00 176.83 174.51 2g0u n SER 83 N -2.70 0.49 0.32 3.07 7.64 -1.18 -2.68 113.62 118.58 2g0u n SER 83 Ca -0.02 0.70 0.20 0.00 1.01 0.00 0.00 58.87 60.77 2g0u n SER 83 Cb 0.08 -0.78 1.08 0.00 -1.01 0.00 0.00 64.21 63.58 2g0u n SER 83 CO 0.00 0.00 0.00 -0.29 -3.01 0.00 0.00 175.04 171.74 2g0u h ILE 84 N 0.00 0.14 0.00 0.44 6.09 -1.74 -3.25 117.51 119.19 2g0u h ILE 84 Ca 0.00 -0.10 0.00 0.00 -1.37 0.00 0.00 64.86 63.39 2g0u h ILE 84 Cb 0.07 1.08 0.00 0.00 0.47 0.00 0.00 36.82 38.44 2g0u h ILE 84 CO 0.00 0.01 0.00 0.18 -3.07 0.00 0.00 178.15 175.27 2g0u n LEU 85 N -3.26 0.60 -0.07 2.19 4.77 -1.09 -4.32 117.00 115.82 2g0u n LEU 85 Ca -0.03 -0.30 0.05 0.00 -0.03 0.00 0.00 56.01 55.71 2g0u n LEU 85 Cb 0.11 -0.30 0.40 0.00 -2.33 0.00 0.00 43.42 41.31 2g0u n LEU 85 CO 0.23 0.15 1.18 -0.08 -1.33 0.00 0.00 177.39 177.54 2g0u h GLU 86 N 0.27 0.60 -2.97 3.23 4.57 -1.86 -3.45 114.58 114.97 2g0u h GLU 86 Ca 0.00 -0.04 -0.09 0.00 -1.18 0.00 0.00 59.36 58.05 2g0u h GLU 86 Cb 0.30 -0.14 -0.18 0.00 -0.16 0.00 0.00 28.75 28.57 2g0u h GLU 86 CO 0.00 0.40 -0.16 -1.58 -1.18 0.00 0.00 179.01 176.49 2g0u s HIS 87 N -5.55 -0.25 -0.19 0.92 2.46 -1.26 -5.17 115.29 106.25 2g0u s HIS 87 Ca -0.09 0.29 -0.12 0.00 0.47 0.00 0.00 55.06 55.62 2g0u s HIS 87 Cb 0.18 0.18 0.06 0.00 -0.13 0.00 0.00 32.58 32.87 2g0u s HIS 87 CO 0.75 -0.50 0.47 -1.58 -2.47 0.00 0.00 174.74 171.40 2g0u s HIS 88 N -1.97 -0.66 0.00 3.88 2.46 -1.26 -5.15 115.29 112.60 2g0u s HIS 88 Ca -0.09 1.42 -0.00 0.00 0.47 0.00 0.00 55.06 56.86 2g0u s HIS 88 Cb -0.02 0.31 0.00 0.00 -0.13 0.00 0.00 32.58 32.74 2g0u s HIS 88 CO 0.01 -0.36 0.01 1.58 -2.47 0.00 0.00 174.74 173.51 2g0u n HIS 89 N 4.02 -0.77 0.00 3.88 -0.00 -1.26 -5.04 115.22 116.05 2g0u n HIS 89 Ca -0.21 -0.02 0.00 0.00 -0.00 0.00 0.00 57.72 57.49 2g0u n HIS 89 Cb 0.56 0.01 0.00 0.00 -0.00 0.00 0.00 29.99 30.56 2g0u n HIS 89 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2g0u n HIS 90 N -0.01 0.00 0.23 1.57 -0.00 -1.26 -2.61 115.22 113.14 2g0u n HIS 90 Ca -0.00 0.00 0.17 0.00 0.46 0.00 0.00 57.72 58.35 2g0u n HIS 90 Cb 0.01 -0.35 0.85 0.00 -0.12 0.00 0.00 29.99 30.38 2g0u n HIS 90 CO 0.00 0.00 0.00 1.12 0.46 0.00 0.00 176.34 177.92 2g0u h HIS 91 N 0.00 0.00 0.00 1.57 -0.00 -2.03 -3.58 115.15 111.10 2g0u h HIS 91 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.37 2g0u h HIS 91 Cb 0.11 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.52 2g0u h HIS 91 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 177.93 179.51