#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 0.92 -3.87 7.83 7.64 -1.26 -5.10 113.62 119.78 2g0u n SER 2 Ca 0.00 -2.20 -0.09 0.00 1.01 0.00 0.00 58.87 57.59 2g0u n SER 2 Cb 0.00 -0.31 -0.07 0.00 -1.01 0.00 0.00 64.21 62.82 2g0u n SER 2 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2g0u s ASN 3 N -1.96 0.12 0.82 6.43 4.22 -1.26 -5.18 114.94 118.13 2g0u s ASN 3 Ca 0.28 -0.67 -0.11 0.00 -2.14 0.00 0.00 52.86 50.22 2g0u s ASN 3 Cb 0.32 0.35 0.08 0.00 1.28 0.00 0.00 41.25 43.28 2g0u s ASN 3 CO -0.13 -0.74 1.09 -2.16 -2.04 0.00 0.00 177.10 173.12 2g0u s PRO 4 N -3.87 1.90 0.92 3.55 0.04 -1.26 -5.06 135.00 131.21 2g0u s PRO 4 Ca 0.06 0.86 -0.12 0.00 0.04 0.00 0.00 61.00 61.84 2g0u s PRO 4 Cb 0.05 -1.88 0.14 0.00 0.04 0.00 0.00 34.50 32.85 2g0u s PRO 4 CO -0.10 -1.81 1.10 -1.25 0.04 0.00 0.00 177.00 174.98 2g0u s PRO 5 N -5.00 1.11 0.06 0.56 0.04 -1.26 -5.11 135.00 125.39 2g0u s PRO 5 Ca 0.62 0.63 0.00 0.00 0.04 0.00 0.00 61.00 62.29 2g0u s PRO 5 Cb -0.16 -1.81 -0.03 0.00 0.04 0.00 0.00 34.50 32.54 2g0u s PRO 5 CO 0.56 -2.30 -0.05 0.95 0.04 0.00 0.00 177.00 176.20 2g0u s THR 6 N -3.02 0.37 -1.47 1.26 -4.23 -1.26 -5.07 115.64 102.22 2g0u s THR 6 Ca 0.64 -1.55 0.06 0.00 -1.18 0.00 0.00 61.69 59.65 2g0u s THR 6 Cb -0.17 -1.17 0.22 0.00 1.34 0.00 0.00 72.50 72.72 2g0u s THR 6 CO 0.56 -0.77 1.05 -0.81 -0.54 0.00 0.00 174.62 174.11 2g0u n PRO 7 N 0.57 1.81 -1.20 3.99 -0.04 -1.26 -4.73 135.00 134.14 2g0u n PRO 7 Ca -0.17 -0.88 -0.39 0.00 -0.04 0.00 0.00 63.50 62.02 2g0u n PRO 7 Cb 0.59 -1.42 -0.03 0.00 -0.04 0.00 0.00 33.50 32.60 2g0u n PRO 7 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 2g0u n LEU 8 N 0.18 5.16 0.00 1.53 -0.00 -1.26 -3.93 117.00 118.68 2g0u n LEU 8 Ca 0.08 -3.26 0.00 0.00 -0.00 0.00 0.00 56.01 52.83 2g0u n LEU 8 Cb 0.34 -1.26 0.00 0.00 -0.00 0.00 0.00 43.42 42.51 2g0u n LEU 8 CO 0.07 0.31 0.00 -0.11 -0.00 0.00 0.00 177.39 177.66 2g0u n LEU 9 N 6.28 0.00 0.10 -1.96 7.94 -1.26 -4.94 117.00 123.16 2g0u n LEU 9 Ca 0.51 0.00 0.09 0.00 -1.11 0.00 0.00 56.01 55.50 2g0u n LEU 9 Cb 0.34 0.00 0.42 0.00 0.53 0.00 0.00 43.42 44.71 2g0u n LEU 9 CO 0.93 0.04 0.79 0.00 -1.11 0.00 0.00 177.39 178.04 2g0u n ALA 10 N 0.00 1.45 0.17 1.96 0.00 -1.25 -3.84 120.51 118.99 2g0u n ALA 10 Ca 0.00 0.08 0.11 0.00 0.00 0.00 0.00 53.44 53.63 2g0u n ALA 10 Cb 0.19 -1.30 0.61 0.00 0.00 0.00 0.00 19.45 18.95 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 -2.01 0.58 0.00 0.00 5.75 -1.26 -1.96 116.55 117.64 2g0u n ASP 11 Ca 0.01 0.77 0.00 0.00 -0.01 0.00 0.00 54.79 55.56 2g0u n ASP 11 Cb 0.15 -0.84 0.00 0.00 -1.03 0.00 0.00 41.12 39.40 2g0u n ASP 11 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2g0u n TYR 12 N -2.28 0.00 -0.03 2.11 0.18 -1.25 -4.74 117.16 111.15 2g0u n TYR 12 Ca -0.01 0.00 0.03 0.00 1.88 0.00 0.00 57.90 59.79 2g0u n TYR 12 Cb 0.04 0.00 0.38 0.00 -0.38 0.00 0.00 39.34 39.38 2g0u n TYR 12 CO 0.00 0.00 0.00 0.93 -2.08 0.00 0.00 176.86 175.71 2g0u h GLU 13 N 0.00 0.60 0.00 -3.48 5.08 -1.62 -1.76 114.58 113.39 2g0u h GLU 13 Ca 0.00 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 2g0u h GLU 13 Cb 0.13 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.25 2g0u h GLU 13 CO 0.00 0.43 0.06 2.35 -1.00 0.00 0.00 179.01 180.86 2g0u h TRP 14 N 0.61 0.00 0.00 4.33 7.01 -1.69 0.52 115.95 126.73 2g0u h TRP 14 Ca 0.16 0.00 0.00 0.00 2.11 0.00 0.00 58.89 61.16 2g0u h TRP 14 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 27.06 2g0u h TRP 14 CO 0.00 0.00 -0.13 0.43 -2.79 0.00 0.00 178.44 175.95 2g0u n SER 15 N -2.64 1.58 0.00 2.65 7.64 -0.71 -4.86 113.62 117.28 2g0u n SER 15 Ca -0.02 -2.60 0.00 0.00 1.01 0.00 0.00 58.87 57.26 2g0u n SER 15 Cb 0.11 -0.31 0.00 0.00 -1.01 0.00 0.00 64.21 63.00 2g0u n SER 15 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2g0u n GLY 16 N -0.90 0.12 0.25 0.23 0.00 -0.83 -4.93 105.19 99.13 2g0u n GLY 16 Ca 0.09 -0.06 0.07 0.00 0.00 0.00 0.00 46.02 46.12 2g0u n GLY 16 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 2g0u h TYR 17 N 0.00 0.00 0.00 1.61 3.20 -1.14 0.11 116.97 120.75 2g0u h TYR 17 Ca 0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 2g0u h TYR 17 Cb 0.00 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.27 2g0u h TYR 17 CO 0.00 0.06 0.06 1.47 -1.64 0.00 0.00 178.16 178.12 2g0u n LEU 18 N -4.43 0.46 -0.03 2.82 -0.00 -1.26 -1.19 117.00 113.38 2g0u n LEU 18 Ca -0.03 0.69 -0.03 0.00 -0.00 0.00 0.00 56.01 56.64 2g0u n LEU 18 Cb 0.14 -0.73 -0.03 0.00 -0.00 0.00 0.00 43.42 42.80 2g0u n LEU 18 CO 0.35 -0.85 -0.68 0.41 -0.00 0.00 0.00 177.39 176.62 2g0u n THR 19 N -2.13 0.34 -0.34 1.47 -1.04 -0.36 -4.72 114.28 107.50 2g0u n THR 19 Ca -0.01 -0.16 0.14 0.00 -2.04 0.00 0.00 64.05 61.97 2g0u n THR 19 Cb 0.09 -0.78 0.33 0.00 -1.82 0.00 0.00 70.33 68.15 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 0.65 1.74 1.85 3.41 0.00 -0.46 -0.45 103.07 109.82 2g0u h GLY 20 Ca -0.13 -0.31 0.00 0.00 0.00 0.00 0.00 47.33 46.89 2g0u h GLY 20 CO -0.01 -0.14 0.06 1.19 0.00 0.00 0.00 176.54 177.64 2g0u h ILE 21 N 0.65 0.00 0.00 2.60 2.10 -1.42 0.16 117.51 121.59 2g0u h ILE 21 Ca 0.58 0.00 -0.04 0.00 1.08 0.00 0.00 64.86 66.48 2g0u h ILE 21 Cb 0.99 0.59 -0.09 0.00 -1.09 0.00 0.00 36.82 37.21 2g0u h ILE 21 CO -0.43 0.00 -0.56 0.61 -1.08 0.00 0.00 178.15 176.70 2g0u n GLY 22 N -1.24 3.86 0.00 8.18 0.00 -0.21 -4.76 105.19 111.02 2g0u n GLY 22 Ca -0.02 -1.10 0.00 0.00 0.00 0.00 0.00 46.02 44.90 2g0u n GLY 22 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2g0u n ARG 23 N -0.72 4.02 0.18 1.61 0.63 -0.51 -4.93 116.66 116.94 2g0u n ARG 23 Ca 0.14 0.00 0.18 0.00 -0.92 0.00 0.00 57.85 57.26 2g0u n ARG 23 Cb 0.79 -0.36 0.79 0.00 0.45 0.00 0.00 32.46 34.14 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 0.00 1.82 0.00 5.13 0.00 -1.01 -0.15 119.26 125.05 2g0u h ALA 24 Ca 0.00 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 2g0u h ALA 24 Cb 0.00 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 2g0u h ALA 24 CO 0.00 -0.48 -0.14 0.27 0.00 0.00 0.00 179.25 178.90 2g0u h PHE 25 N 0.00 0.00 0.00 0.00 -5.15 -1.92 -2.93 116.94 106.95 2g0u h PHE 25 Ca 0.12 0.00 -0.01 0.00 -0.20 0.00 0.00 57.97 57.88 2g0u h PHE 25 Cb 0.82 0.00 -0.00 0.00 0.22 0.00 0.00 35.95 36.99 2g0u h PHE 25 CO 0.00 0.14 -0.03 0.22 -2.00 0.00 0.00 178.31 176.64 2g0u h ASP 26 N 0.00 0.00 -0.08 -0.68 3.58 -1.42 -2.61 116.42 115.21 2g0u h ASP 26 Ca -0.00 0.00 0.02 0.00 0.42 0.00 0.00 57.03 57.47 2g0u h ASP 26 Cb 0.42 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.47 2g0u h ASP 26 CO 0.02 0.03 0.11 -0.78 -2.88 0.00 0.00 179.24 175.74 2g0u h ASP 27 N 0.00 0.00 0.04 2.28 3.58 -1.70 0.65 116.42 121.27 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 0.15 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.20 2g0u h ASP 27 CO 0.00 0.00 -0.02 0.61 -2.88 0.00 0.00 179.24 176.96 2g0u n GLY 28 N -1.33 -0.58 0.00 -0.78 0.00 -0.98 -4.11 105.19 97.41 2g0u n GLY 28 Ca -0.01 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.51 0.00 0.04 1.61 0.31 0.05 -4.70 118.33 115.14 2g0u n VAL 29 Ca 0.21 -0.26 0.21 0.00 -0.01 0.00 0.00 64.34 64.49 2g0u n VAL 29 Cb 0.23 0.95 0.73 0.00 -0.91 0.00 0.00 33.84 34.85 2g0u n VAL 29 CO 0.00 0.00 0.00 0.11 -1.32 0.00 0.00 176.83 175.62 2g0u h LYS 30 N 0.00 0.00 -0.76 5.55 1.57 -1.24 -0.38 116.57 121.31 2g0u h LYS 30 Ca 0.00 0.00 0.07 0.00 -1.87 0.00 0.00 60.65 58.85 2g0u h LYS 30 Cb 0.00 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.25 2g0u h LYS 30 CO 0.00 0.00 0.44 0.22 -0.57 0.00 0.00 179.45 179.54 2g0u h ASP 31 N 0.00 0.66 0.19 0.86 3.58 -1.84 0.86 116.42 120.74 2g0u h ASP 31 Ca 0.23 0.03 -0.26 0.00 0.42 0.00 0.00 57.03 57.45 2g0u h ASP 31 Cb 1.16 -0.10 0.02 0.00 1.72 0.00 0.00 39.33 42.13 2g0u h ASP 31 CO -0.00 0.42 -1.08 0.25 -2.88 0.00 0.00 179.24 175.94 2g0u h LEU 32 N 0.79 0.75 -0.99 2.28 6.46 -1.43 -2.83 115.31 120.34 2g0u h LEU 32 Ca 0.34 -0.64 -0.05 0.00 -0.12 0.00 0.00 57.88 57.42 2g0u h LEU 32 Cb 0.22 -0.23 -0.03 0.00 -0.73 0.00 0.00 40.66 39.89 2g0u h LEU 32 CO -0.19 1.44 0.18 -1.13 -0.62 0.00 0.00 178.44 178.11 2g0u h ASN 33 N 0.29 0.84 -0.78 1.25 -0.73 -1.18 -1.13 115.58 114.13 2g0u h ASN 33 Ca -0.13 -0.14 -0.03 0.00 1.87 0.00 0.00 56.30 57.86 2g0u h ASN 33 Cb 1.74 -0.22 -0.04 0.00 0.27 0.00 0.00 38.32 40.07 2g0u h ASN 33 CO 0.20 0.80 0.36 0.50 -0.37 0.00 0.00 177.43 178.91 2g0u h LYS 34 N 0.87 1.14 -0.85 6.67 3.11 -0.87 0.85 116.57 127.49 2g0u h LYS 34 Ca 0.20 -0.18 -0.02 0.00 -2.81 0.00 0.00 60.65 57.83 2g0u h LYS 34 Cb 0.27 -0.20 -0.04 0.00 -1.00 0.00 0.00 32.23 31.26 2g0u h LYS 34 CO -0.01 0.90 0.44 1.96 -2.81 0.00 0.00 179.45 179.93 2g0u h GLN 35 N 1.12 1.21 -0.11 1.90 4.20 -1.18 -0.86 115.11 121.38 2g0u h GLN 35 Ca 0.27 -0.16 -0.21 0.00 0.06 0.00 0.00 58.65 58.61 2g0u h GLN 35 Cb 0.15 -0.23 0.00 0.00 0.30 0.00 0.00 27.48 27.71 2g0u h GLN 35 CO -0.03 0.91 -0.78 1.25 -0.67 0.00 0.00 178.83 179.50 2g0u h LEU 36 N 1.20 0.75 -1.14 1.46 5.85 -0.82 -0.96 115.31 121.65 2g0u h LEU 36 Ca 0.30 -0.50 -0.08 0.00 0.84 0.00 0.00 57.88 58.44 2g0u h LEU 36 Cb 0.07 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 40.86 2g0u h LEU 36 CO -0.04 1.28 -0.21 1.56 -0.34 0.00 0.00 178.44 180.69 2g0u h GLN 37 N 0.42 0.35 -0.52 1.25 4.20 -0.79 0.36 115.11 120.38 2g0u h GLN 37 Ca -0.05 -0.11 -0.08 0.00 0.06 0.00 0.00 58.65 58.46 2g0u h GLN 37 Cb 1.40 -0.03 -0.02 0.00 0.30 0.00 0.00 27.48 29.12 2g0u h GLN 37 CO 0.15 0.55 -0.02 0.22 -0.67 0.00 0.00 178.83 179.06 2g0u h ASP 38 N 0.32 0.87 -0.24 1.46 3.58 -1.00 0.61 116.42 122.02 2g0u h ASP 38 Ca 0.05 -0.23 0.00 0.00 0.42 0.00 0.00 57.03 57.28 2g0u h ASP 38 Cb 0.55 -0.23 -0.01 0.00 1.72 0.00 0.00 39.33 41.35 2g0u h ASP 38 CO 0.04 0.94 0.16 0.00 -2.88 0.00 0.00 179.24 177.49 2g0u h ALA 39 N 1.15 0.31 0.00 -0.78 0.00 -0.72 -1.73 119.26 117.48 2g0u h ALA 39 Ca 0.15 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.00 2g0u h ALA 39 Cb 0.51 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 2g0u h ALA 39 CO 0.03 -0.21 -0.20 0.37 0.00 0.00 0.00 179.25 179.24 2g0u h GLN 40 N 0.32 0.00 0.17 0.00 4.15 -0.66 0.11 115.11 119.21 2g0u h GLN 40 Ca 0.09 0.00 -0.30 0.00 0.77 0.00 0.00 58.65 59.21 2g0u h GLN 40 Cb -0.02 0.00 0.02 0.00 0.21 0.00 0.00 27.48 27.68 2g0u h GLN 40 CO -0.02 0.20 -1.33 0.00 -1.93 0.00 0.00 178.83 175.74 2g0u h ALA 41 N 1.80 0.02 0.00 3.38 0.00 -0.72 0.47 119.26 124.21 2g0u h ALA 41 Ca -0.00 -0.89 -0.06 0.00 0.00 0.00 0.00 54.91 53.96 2g0u h ALA 41 Cb 0.49 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 2g0u h ALA 41 CO 0.03 0.89 -0.27 -0.91 0.00 0.00 0.00 179.25 178.98 2g0u h ASN 42 N 0.10 0.00 0.14 0.00 2.35 -0.94 0.49 115.58 117.72 2g0u h ASN 42 Ca -0.18 0.00 -0.22 0.00 -0.55 0.00 0.00 56.30 55.35 2g0u h ASN 42 Cb 2.04 0.00 0.00 0.00 0.05 0.00 0.00 38.32 40.41 2g0u h ASN 42 CO 0.23 0.27 -0.85 0.25 -1.65 0.00 0.00 177.43 175.69 2g0u h LEU 43 N 0.00 0.68 -1.18 1.61 5.85 -0.80 -3.03 115.31 118.44 2g0u h LEU 43 Ca -0.00 -0.48 -0.04 0.00 0.84 0.00 0.00 57.88 58.19 2g0u h LEU 43 Cb 0.49 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.30 2g0u h LEU 43 CO 0.04 1.26 0.14 0.74 -0.34 0.00 0.00 178.44 180.28 2g0u h THR 44 N 0.35 1.20 -0.56 1.05 2.02 0.69 0.21 112.91 117.87 2g0u h THR 44 Ca -0.06 -0.69 0.02 0.00 0.77 0.00 0.00 66.41 66.44 2g0u h THR 44 Cb 1.46 0.69 -0.03 0.00 -1.74 0.00 0.00 68.15 68.53 2g0u h THR 44 CO 0.16 0.26 0.37 0.50 0.37 0.00 0.00 175.52 177.17 2g0u h LYS 45 N 0.70 0.69 -1.47 6.66 3.11 -0.94 -3.38 116.57 121.94 2g0u h LYS 45 Ca 0.16 -0.04 -0.18 0.00 -2.81 0.00 0.00 60.65 57.78 2g0u h LYS 45 Cb 0.23 -0.16 -0.25 0.00 -1.00 0.00 0.00 32.23 31.05 2g0u h LYS 45 CO -0.01 0.46 -0.54 1.21 -2.81 0.00 0.00 179.45 177.76 2g0u s ASN 46 N -6.51 -0.23 0.61 4.20 3.84 -0.75 -5.08 114.94 111.01 2g0u s ASN 46 Ca -0.09 -0.82 0.27 0.00 0.21 0.00 0.00 52.86 52.43 2g0u s ASN 46 Cb 0.18 1.33 1.27 0.00 -0.55 0.00 0.00 41.25 43.48 2g0u s ASN 46 CO 0.75 -0.26 1.69 -0.65 -2.79 0.00 0.00 177.10 175.85 2g0u h PRO 47 N 7.43 0.00 0.00 0.43 0.11 -0.80 -0.77 132.00 138.40 2g0u h PRO 47 Ca 0.01 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 66.04 2g0u h PRO 47 Cb 1.13 0.00 -0.17 0.00 0.11 0.00 0.00 31.00 32.07 2g0u h PRO 47 CO 0.18 0.00 -0.70 -1.13 -0.21 0.00 0.00 178.00 176.14 2g0u n SER 48 N -3.41 1.33 -4.67 -2.05 3.41 -1.26 -4.90 113.62 102.07 2g0u n SER 48 Ca 0.11 -2.90 -0.43 0.00 -0.26 0.00 0.00 58.87 55.38 2g0u n SER 48 Cb 0.88 -0.40 -0.03 0.00 -0.26 0.00 0.00 64.21 64.40 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 -0.37 4.04 0.21 4.04 -0.08 -0.29 -4.89 116.55 119.20 2g0u n ASP 49 Ca 0.12 0.93 0.07 0.00 -1.51 0.00 0.00 54.79 54.40 2g0u n ASP 49 Cb 0.89 -1.51 0.44 0.00 2.34 0.00 0.00 41.12 43.28 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 9.84 0.00 -0.00 -0.67 0.13 -1.96 0.19 132.00 139.52 2g0u h PRO 50 Ca -0.49 0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 64.44 2g0u h PRO 50 Cb 1.24 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.39 2g0u h PRO 50 CO 0.94 0.31 -0.80 1.15 -0.23 0.00 0.00 178.00 179.36 2g0u h THR 51 N 0.00 1.36 -0.90 1.56 2.02 -1.97 0.11 112.91 115.09 2g0u h THR 51 Ca -0.00 -2.16 0.07 0.00 0.77 0.00 0.00 66.41 65.10 2g0u h THR 51 Cb 0.68 2.50 -0.07 0.00 -1.74 0.00 0.00 68.15 69.53 2g0u h THR 51 CO 0.04 0.65 0.56 0.00 0.37 0.00 0.00 175.52 177.14 2g0u h ALA 52 N 0.35 1.27 0.14 6.16 0.00 -1.76 0.20 119.26 125.61 2g0u h ALA 52 Ca -0.10 -0.00 -0.28 0.00 0.00 0.00 0.00 54.91 54.53 2g0u h ALA 52 Cb 1.49 -0.23 0.01 0.00 0.00 0.00 0.00 17.79 19.06 2g0u h ALA 52 CO 0.16 0.28 -1.25 1.25 0.00 0.00 0.00 179.25 179.68 2g0u h LEU 53 N 0.99 0.45 -0.68 0.00 5.85 -0.68 0.30 115.31 121.55 2g0u h LEU 53 Ca 0.41 -0.48 -0.02 0.00 0.84 0.00 0.00 57.88 58.63 2g0u h LEU 53 Cb 0.24 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.09 2g0u h LEU 53 CO -0.20 1.38 0.36 0.00 -0.34 0.00 0.00 178.44 179.64 2g0u h ALA 54 N 0.56 0.87 0.22 1.25 0.00 -0.60 0.11 119.26 121.67 2g0u h ALA 54 Ca -0.14 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.64 2g0u h ALA 54 Cb 1.98 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 19.50 2g0u h ALA 54 CO 0.21 0.39 -0.11 -0.97 0.00 0.00 0.00 179.25 178.77 2g0u h ASN 55 N 0.93 -0.25 -0.61 0.00 -1.24 -0.52 0.11 115.58 114.00 2g0u h ASN 55 Ca 0.24 -0.18 0.09 0.00 0.71 0.00 0.00 56.30 57.16 2g0u h ASN 55 Cb 0.05 0.07 -0.07 0.00 0.73 0.00 0.00 38.32 39.10 2g0u h ASN 55 CO -0.04 0.04 0.25 0.22 -1.29 0.00 0.00 177.43 176.62 2g0u h TYR 56 N -0.56 0.44 -0.58 0.67 5.03 -0.92 0.10 116.97 121.15 2g0u h TYR 56 Ca -0.03 0.03 -0.08 0.00 2.58 0.00 0.00 58.73 61.23 2g0u h TYR 56 Cb 0.41 -0.11 -0.02 0.00 1.55 0.00 0.00 36.73 38.56 2g0u h TYR 56 CO 0.01 0.14 0.05 1.96 -1.32 0.00 0.00 178.16 179.00 2g0u h GLN 57 N 0.45 0.96 -0.06 1.82 1.08 -0.63 0.15 115.11 118.88 2g0u h GLN 57 Ca 0.30 -0.26 -0.01 0.00 -1.45 0.00 0.00 58.65 57.23 2g0u h GLN 57 Cb 0.34 -0.11 -0.00 0.00 -0.05 0.00 0.00 27.48 27.66 2g0u h GLN 57 CO -0.28 0.92 -0.00 1.98 -0.95 0.00 0.00 178.83 180.50 2g0u h MET 58 N 0.90 0.11 -0.20 1.46 4.05 -0.57 -0.08 114.93 120.60 2g0u h MET 58 Ca 0.17 -0.04 -0.13 0.00 -0.28 0.00 0.00 59.70 59.43 2g0u h MET 58 Cb 0.46 -0.01 -0.01 0.00 -0.80 0.00 0.00 31.60 31.24 2g0u h MET 58 CO 0.02 0.41 -0.41 0.82 0.23 0.00 0.00 176.91 177.97 2g0u h ILE 59 N -0.20 1.31 -0.14 1.77 2.04 -0.94 -2.02 117.51 119.33 2g0u h ILE 59 Ca 0.02 -1.57 -0.13 0.00 1.00 0.00 0.00 64.86 64.18 2g0u h ILE 59 Cb 0.36 1.60 -0.01 0.00 -0.74 0.00 0.00 36.82 38.03 2g0u h ILE 59 CO 0.00 0.49 -0.47 -0.03 0.00 0.00 0.00 178.15 178.15 2g0u h MET 60 N 0.39 0.36 -0.34 2.37 4.05 -0.68 0.15 114.93 121.23 2g0u h MET 60 Ca 0.03 -0.19 0.00 0.00 -0.28 0.00 0.00 59.70 59.26 2g0u h MET 60 Cb 0.89 0.01 -0.02 0.00 -0.80 0.00 0.00 31.60 31.68 2g0u h MET 60 CO 0.08 0.75 0.22 0.77 0.23 0.00 0.00 176.91 178.95 2g0u h SER 61 N 0.29 0.40 -0.45 1.39 0.02 -0.76 0.46 113.55 114.90 2g0u h SER 61 Ca 0.02 -0.03 -0.05 0.00 -0.84 0.00 0.00 61.79 60.89 2g0u h SER 61 Cb 0.93 -0.10 -0.02 0.00 0.14 0.00 0.00 62.40 63.36 2g0u h SER 61 CO 0.08 0.30 0.08 -0.33 -1.14 0.00 0.00 176.83 175.82 2g0u h GLU 62 N 0.45 0.75 -0.13 3.45 5.08 -1.12 -1.15 114.58 121.91 2g0u h GLU 62 Ca 0.12 -0.20 0.01 0.00 -1.00 0.00 0.00 59.36 58.29 2g0u h GLU 62 Cb -0.03 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.12 2g0u h GLU 62 CO -0.03 0.77 0.05 -0.92 -1.00 0.00 0.00 179.01 177.88 2g0u h TYR 63 N 0.61 0.09 -0.35 4.33 3.20 -0.58 -0.87 116.97 123.40 2g0u h TYR 63 Ca 0.14 0.01 -0.17 0.00 3.14 0.00 0.00 58.73 61.84 2g0u h TYR 63 Cb 0.38 -0.02 -0.00 0.00 1.54 0.00 0.00 36.73 38.62 2g0u h TYR 63 CO 0.03 0.05 -0.44 -0.97 -1.64 0.00 0.00 178.16 175.18 2g0u h ASN 64 N 0.12 0.99 -0.53 -2.11 -1.24 -0.90 -2.25 115.58 109.66 2g0u h ASN 64 Ca 0.05 -0.48 -0.01 0.00 0.71 0.00 0.00 56.30 56.57 2g0u h ASN 64 Cb 0.03 -0.28 -0.03 0.00 0.73 0.00 0.00 38.32 38.77 2g0u h ASN 64 CO -0.05 1.28 0.28 0.25 -1.29 0.00 0.00 177.43 177.90 2g0u h LEU 65 N 0.73 0.68 -0.07 0.34 5.85 -1.12 -0.37 115.31 121.34 2g0u h LEU 65 Ca 0.04 -0.10 -0.00 0.00 0.84 0.00 0.00 57.88 58.66 2g0u h LEU 65 Cb 1.04 -0.17 -0.00 0.00 0.37 0.00 0.00 40.66 41.90 2g0u h LEU 65 CO 0.10 0.58 0.04 0.22 -0.34 0.00 0.00 178.44 179.05 2g0u h TYR 66 N 0.72 0.09 -0.45 1.25 5.03 -1.09 0.17 116.97 122.69 2g0u h TYR 66 Ca 0.19 -0.00 0.04 0.00 2.58 0.00 0.00 58.73 61.54 2g0u h TYR 66 Cb 0.06 -0.03 -0.04 0.00 1.55 0.00 0.00 36.73 38.28 2g0u h TYR 66 CO -0.01 0.10 0.22 0.00 -1.32 0.00 0.00 178.16 177.14 2g0u h ARG 67 N 0.05 0.42 -0.40 1.82 3.08 -1.25 0.16 114.38 118.27 2g0u h ARG 67 Ca 0.02 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.04 2g0u h ARG 67 Cb 0.03 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 29.97 2g0u h ARG 67 CO -0.00 0.28 0.19 -0.97 -1.07 0.00 0.00 179.97 178.40 2g0u h ASN 68 N 0.44 0.51 -0.43 7.04 -1.24 -0.97 -1.55 115.58 119.38 2g0u h ASN 68 Ca 0.20 -0.12 -0.14 0.00 0.71 0.00 0.00 56.30 56.94 2g0u h ASN 68 Cb 0.11 -0.13 -0.01 0.00 0.73 0.00 0.00 38.32 39.02 2g0u h ASN 68 CO -0.14 0.49 -0.30 0.00 -1.29 0.00 0.00 177.43 176.19 2g0u h ALA 69 N 1.04 0.61 -0.58 1.57 0.00 -0.65 -0.49 119.26 120.77 2g0u h ALA 69 Ca 0.14 -0.42 -0.06 0.00 0.00 0.00 0.00 54.91 54.57 2g0u h ALA 69 Cb 0.11 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 2g0u h ALA 69 CO -0.02 0.66 0.13 0.37 0.00 0.00 0.00 179.25 180.40 2g0u h GLN 70 N 0.80 0.94 -0.67 0.00 5.75 -0.97 0.22 115.11 121.17 2g0u h GLN 70 Ca 0.08 -0.23 -0.04 0.00 -0.15 0.00 0.00 58.65 58.31 2g0u h GLN 70 Cb 0.88 -0.12 -0.03 0.00 1.07 0.00 0.00 27.48 29.28 2g0u h GLN 70 CO 0.08 0.87 0.25 0.77 -2.65 0.00 0.00 178.83 178.15 2g0u h SER 71 N 0.84 0.94 -0.35 -0.69 0.02 -1.16 -3.01 113.55 110.14 2g0u h SER 71 Ca 0.18 -0.18 -0.04 0.00 -0.84 0.00 0.00 61.79 60.91 2g0u h SER 71 Cb 0.36 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.64 2g0u h SER 71 CO 0.00 0.87 0.07 -1.28 -1.14 0.00 0.00 176.83 175.35 2g0u h SER 72 N 0.96 0.55 -0.92 3.07 0.87 -0.94 -3.28 113.55 113.85 2g0u h SER 72 Ca 0.22 -0.25 0.09 0.00 -1.23 0.00 0.00 61.79 60.62 2g0u h SER 72 Cb 0.23 -0.14 -0.07 0.00 -0.44 0.00 0.00 62.40 61.98 2g0u h SER 72 CO -0.01 0.65 0.57 0.00 -0.53 0.00 0.00 176.83 177.51 2g0u h ALA 73 N 0.91 1.33 0.00 6.23 0.00 -0.82 -1.10 119.26 125.81 2g0u h ALA 73 Ca 0.11 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 2g0u h ALA 73 Cb 0.33 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 2g0u h ALA 73 CO 0.00 0.24 -0.01 0.28 0.00 0.00 0.00 179.25 179.76 2g0u h VAL 74 N 0.97 0.09 -0.00 0.00 2.07 -1.59 -0.81 116.25 116.98 2g0u h VAL 74 Ca 0.43 -0.20 0.00 0.00 0.82 0.00 0.00 66.70 67.75 2g0u h VAL 74 Cb 0.33 1.18 0.00 0.00 -1.52 0.00 0.00 31.29 31.28 2g0u h VAL 74 CO -0.22 0.01 -0.28 0.29 0.02 0.00 0.00 177.57 177.39 2g0u n LYS 75 N -3.19 3.75 -0.48 1.57 5.02 -0.53 -4.72 118.16 119.59 2g0u n LYS 75 Ca -0.02 -0.19 0.00 0.00 -2.02 0.00 0.00 58.31 56.08 2g0u n LYS 75 Cb 0.15 -0.90 0.00 0.00 -0.02 0.00 0.00 35.03 34.26 2g0u n LYS 75 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 2g0u n SER 76 N -0.86 0.00 -0.21 4.39 7.64 -0.55 -4.99 113.62 119.04 2g0u n SER 76 Ca 0.02 -1.92 0.01 0.00 1.01 0.00 0.00 58.87 57.99 2g0u n SER 76 Cb 0.13 -0.18 0.09 0.00 -1.01 0.00 0.00 64.21 63.24 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 0.07 0.00 1.43 4.05 -1.37 -1.24 114.93 117.88 2g0u h MET 77 Ca 0.00 -0.00 -0.08 0.00 -0.28 0.00 0.00 59.70 59.33 2g0u h MET 77 Cb 1.37 -0.02 -0.01 0.00 -0.80 0.00 0.00 31.60 32.14 2g0u h MET 77 CO 0.00 0.05 -0.40 0.87 0.23 0.00 0.00 176.91 177.66 2g0u h LYS 78 N 0.07 0.00 -0.15 0.39 1.79 -1.94 -1.37 116.57 115.36 2g0u h LYS 78 Ca 0.32 0.00 -0.10 0.00 -2.18 0.00 0.00 60.65 58.69 2g0u h LYS 78 Cb 0.51 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.17 2g0u h LYS 78 CO -0.57 0.40 -0.31 0.22 -1.08 0.00 0.00 179.45 178.11 2g0u h ASP 79 N 0.00 0.52 -0.25 0.86 3.58 -1.66 -2.98 116.42 116.49 2g0u h ASP 79 Ca -0.00 -0.56 -0.00 0.00 0.42 0.00 0.00 57.03 56.88 2g0u h ASP 79 Cb 0.78 -0.15 -0.01 0.00 1.72 0.00 0.00 39.33 41.67 2g0u h ASP 79 CO 0.05 0.99 0.15 0.40 -2.88 0.00 0.00 179.24 177.95 2g0u h ILE 80 N 0.08 1.10 0.00 2.25 2.04 -1.25 -2.07 117.51 119.66 2g0u h ILE 80 Ca 0.00 -0.24 0.00 0.00 1.00 0.00 0.00 64.86 65.62 2g0u h ILE 80 Cb 0.90 0.81 0.00 0.00 -0.74 0.00 0.00 36.82 37.79 2g0u h ILE 80 CO 0.07 0.10 0.03 -0.78 0.00 0.00 0.00 178.15 177.56 2g0u h ASP 81 N 0.31 0.00 0.00 1.72 3.58 -1.31 -0.09 116.42 120.63 2g0u h ASP 81 Ca 0.09 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.54 2g0u h ASP 81 Cb 0.03 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.08 2g0u h ASP 81 CO -0.02 0.00 -0.71 -1.20 -2.88 0.00 0.00 179.24 174.43 2g0u n SER 82 N -2.38 0.71 0.00 2.28 7.64 -0.87 -4.79 113.62 116.20 2g0u n SER 82 Ca -0.02 -0.79 0.00 0.00 1.01 0.00 0.00 58.87 59.07 2g0u n SER 82 Cb 0.07 1.03 0.00 0.00 -1.01 0.00 0.00 64.21 64.30 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 -1.36 0.00 -4.64 6.43 7.64 -0.78 -5.09 113.62 115.82 2g0u n SER 83 Ca 0.02 -0.81 -0.41 0.00 1.01 0.00 0.00 58.87 58.69 2g0u n SER 83 Cb 0.23 0.00 0.01 0.00 -1.01 0.00 0.00 64.21 63.44 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 0.00 2.54 -3.94 0.44 3.06 -0.12 -5.02 119.36 116.33 2g0u n ILE 84 Ca 0.00 -0.50 -0.10 0.00 -2.50 0.00 0.00 62.75 59.65 2g0u n ILE 84 Cb 0.20 -1.29 -0.06 0.00 0.54 0.00 0.00 39.64 39.03 2g0u n ILE 84 CO 0.00 0.00 0.00 -1.48 -2.50 0.00 0.00 176.55 172.57 2g0u s LEU 85 N -0.97 0.68 0.00 9.51 2.34 -1.26 -5.09 118.68 123.89 2g0u s LEU 85 Ca 0.63 -0.83 0.00 0.00 0.06 0.00 0.00 54.13 53.99 2g0u s LEU 85 Cb -0.54 1.45 0.00 0.00 -0.56 0.00 0.00 46.19 46.54 2g0u s LEU 85 CO 0.57 -0.97 0.27 -0.62 -1.06 0.00 0.00 176.35 174.54 2g0u n GLU 86 N -0.27 -0.24 -4.10 1.48 1.02 -1.26 -5.07 120.64 112.20 2g0u n GLU 86 Ca -0.06 -0.30 -0.13 0.00 -0.02 0.00 0.00 57.16 56.65 2g0u n GLU 86 Cb 0.63 -0.72 -0.11 0.00 -0.02 0.00 0.00 31.44 31.22 2g0u n GLU 86 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 2g0u s HIS 87 N -0.05 0.78 0.03 -0.32 3.76 -1.26 -5.18 115.29 113.05 2g0u s HIS 87 Ca 0.00 -0.58 -0.06 0.00 -0.15 0.00 0.00 55.06 54.26 2g0u s HIS 87 Cb 0.00 -0.46 -0.01 0.00 1.11 0.00 0.00 32.58 33.23 2g0u s HIS 87 CO 0.00 -0.08 0.11 -1.01 -0.85 0.00 0.00 174.74 172.91 2g0u s HIS 88 N -1.86 0.14 0.29 1.40 3.76 -1.26 -5.06 115.29 112.70 2g0u s HIS 88 Ca -0.04 -0.37 0.01 0.00 -0.15 0.00 0.00 55.06 54.51 2g0u s HIS 88 Cb -0.07 -0.11 0.46 0.00 1.11 0.00 0.00 32.58 33.97 2g0u s HIS 88 CO -0.00 -0.34 1.81 1.25 -0.85 0.00 0.00 174.74 176.61 2g0u h HIS 89 N 3.89 0.71 -3.20 1.40 2.76 -2.07 -3.46 115.15 115.18 2g0u h HIS 89 Ca -0.32 -0.08 -0.04 0.00 -2.20 0.00 0.00 60.37 57.72 2g0u h HIS 89 Cb 1.19 -0.20 -0.13 0.00 1.55 0.00 0.00 27.41 29.82 2g0u h HIS 89 CO 0.56 0.67 0.02 -1.58 -1.30 0.00 0.00 177.93 176.30 2g0u s HIS 90 N -4.99 -0.33 0.00 5.26 5.65 -1.26 -5.11 115.29 114.51 2g0u s HIS 90 Ca -0.09 0.09 0.00 0.00 0.25 0.00 0.00 55.06 55.31 2g0u s HIS 90 Cb 0.15 0.35 0.00 0.00 -1.18 0.00 0.00 32.58 31.90 2g0u s HIS 90 CO 0.79 -0.73 0.00 -2.39 -0.65 0.00 0.00 174.74 171.76 2g0u n HIS 91 N -0.17 0.00 0.63 3.88 -0.00 -1.26 -5.20 115.22 113.09 2g0u n HIS 91 Ca -0.17 0.00 0.05 0.00 -0.00 0.00 0.00 57.72 57.60 2g0u n HIS 91 Cb 0.64 0.01 0.30 0.00 -0.00 0.00 0.00 29.99 30.94 2g0u n HIS 91 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92