#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 -0.09 0.06 6.12 1.04 -1.26 -5.20 113.70 114.37 2g0u s SER 2 Ca 0.00 -0.89 -0.10 0.00 0.48 0.00 0.00 55.95 55.44 2g0u s SER 2 Cb 0.00 0.62 0.01 0.00 0.10 0.00 0.00 66.02 66.74 2g0u s SER 2 CO 0.00 -1.19 0.22 0.54 0.98 0.00 0.00 173.24 173.79 2g0u s ASN 3 N -3.01 0.03 0.71 7.02 4.22 -1.26 -5.18 114.94 117.48 2g0u s ASN 3 Ca 0.21 -0.44 -0.11 0.00 -2.14 0.00 0.00 52.86 50.37 2g0u s ASN 3 Cb -0.02 0.33 0.02 0.00 1.28 0.00 0.00 41.25 42.85 2g0u s ASN 3 CO 0.09 -0.64 1.07 -2.16 -2.04 0.00 0.00 177.10 173.41 2g0u s PRO 4 N -3.10 2.83 0.55 3.55 0.04 -1.26 -5.05 135.00 132.56 2g0u s PRO 4 Ca -0.01 0.89 -0.18 0.00 0.04 0.00 0.00 61.00 61.74 2g0u s PRO 4 Cb 0.01 -1.98 -0.06 0.00 0.04 0.00 0.00 34.50 32.52 2g0u s PRO 4 CO -0.07 -1.16 1.08 -1.25 0.04 0.00 0.00 177.00 175.64 2g0u s PRO 5 N -5.07 3.43 0.08 0.56 0.04 -1.26 -5.09 135.00 127.70 2g0u s PRO 5 Ca 0.58 1.40 0.02 0.00 0.04 0.00 0.00 61.00 63.05 2g0u s PRO 5 Cb -0.14 -2.04 -0.04 0.00 0.04 0.00 0.00 34.50 32.33 2g0u s PRO 5 CO 0.55 -0.74 -0.07 0.95 0.04 0.00 0.00 177.00 177.72 2g0u s THR 6 N -2.07 0.68 0.82 1.26 -4.23 -1.26 -5.16 115.64 105.68 2g0u s THR 6 Ca 0.68 -1.68 -0.14 0.00 -1.18 0.00 0.00 61.69 59.37 2g0u s THR 6 Cb -0.19 -1.37 0.05 0.00 1.34 0.00 0.00 72.50 72.33 2g0u s THR 6 CO 0.28 -0.71 0.93 -2.65 -0.54 0.00 0.00 174.62 171.93 2g0u n PRO 7 N 0.41 0.09 0.00 3.99 -0.02 -1.26 -5.00 135.00 133.21 2g0u n PRO 7 Ca -0.15 0.10 0.00 0.00 -2.02 0.00 0.00 63.50 61.43 2g0u n PRO 7 Cb 0.59 -2.21 0.00 0.00 -0.02 0.00 0.00 33.50 31.86 2g0u n PRO 7 CO 0.00 0.00 0.00 1.47 1.98 0.00 0.00 175.50 178.95 2g0u n LEU 8 N -2.38 0.22 -3.53 2.45 -0.00 -1.26 -4.93 117.00 107.57 2g0u n LEU 8 Ca 0.12 -0.29 -0.40 0.00 -0.00 0.00 0.00 56.01 55.43 2g0u n LEU 8 Cb 0.51 0.00 -0.01 0.00 -0.00 0.00 0.00 43.42 43.92 2g0u n LEU 8 CO 0.49 0.05 2.79 -0.11 -0.00 0.00 0.00 177.39 180.61 2g0u n LEU 9 N -0.14 7.84 -4.69 1.47 7.94 -1.26 -4.99 117.00 123.17 2g0u n LEU 9 Ca 0.00 -4.48 -0.37 0.00 -1.11 0.00 0.00 56.01 50.05 2g0u n LEU 9 Cb 0.10 -1.53 0.06 0.00 0.53 0.00 0.00 43.42 42.58 2g0u n LEU 9 CO 0.00 1.74 0.78 0.00 -1.11 0.00 0.00 177.39 178.80 2g0u n ALA 10 N 3.80 0.84 -3.53 1.96 0.00 -1.26 -5.05 120.51 117.27 2g0u n ALA 10 Ca 0.63 0.01 -0.10 0.00 0.00 0.00 0.00 53.44 53.97 2g0u n ALA 10 Cb 0.29 -2.25 -0.00 0.00 0.00 0.00 0.00 19.45 17.49 2g0u n ALA 10 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2g0u s ASP 11 N -1.31 0.21 0.00 0.00 2.15 -1.26 -5.04 116.67 111.42 2g0u s ASP 11 Ca 0.80 -1.16 0.00 0.00 0.43 0.00 0.00 52.55 52.62 2g0u s ASP 11 Cb -0.39 0.77 0.00 0.00 -0.30 0.00 0.00 42.92 42.99 2g0u s ASP 11 CO 0.43 -1.51 0.05 -1.22 -0.17 0.00 0.00 175.17 172.75 2g0u n TYR 12 N -0.52 0.00 0.13 -5.34 4.01 -1.26 -3.76 117.16 110.42 2g0u n TYR 12 Ca -0.05 0.00 0.18 0.00 -0.16 0.00 0.00 57.90 57.87 2g0u n TYR 12 Cb 0.60 -0.00 0.76 0.00 -0.31 0.00 0.00 39.34 40.39 2g0u n TYR 12 CO 0.00 0.00 0.00 1.05 -0.46 0.00 0.00 176.86 177.45 2g0u h GLU 13 N 0.32 0.00 0.00 -0.72 4.11 -1.99 -2.99 114.58 113.31 2g0u h GLU 13 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 2g0u h GLU 13 Cb 0.01 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.26 2g0u h GLU 13 CO 0.00 0.00 0.00 -2.67 0.07 0.00 0.00 179.01 176.41 2g0u n TRP 14 N -4.03 0.78 0.84 2.06 2.14 -1.25 -2.43 117.44 115.55 2g0u n TRP 14 Ca 0.05 0.38 0.09 0.00 2.07 0.00 0.00 57.50 60.09 2g0u n TRP 14 Cb 0.45 -1.12 0.45 0.00 -0.81 0.00 0.00 31.31 30.28 2g0u n TRP 14 CO 0.00 0.00 0.00 0.43 2.07 0.00 0.00 177.69 180.19 2g0u n SER 15 N -2.28 0.00 0.00 -0.67 7.64 -1.13 -4.51 113.62 112.67 2g0u n SER 15 Ca -0.01 0.06 0.00 0.00 1.01 0.00 0.00 58.87 59.94 2g0u n SER 15 Cb 0.07 -0.30 0.00 0.00 -1.01 0.00 0.00 64.21 62.97 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 0.26 0.01 0.27 0.23 0.00 -1.17 -4.98 105.19 99.81 2g0u n GLY 16 Ca 0.08 -0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.12 2g0u n GLY 16 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 2g0u h TYR 17 N 0.00 0.40 -3.09 1.61 0.05 -1.75 -3.36 116.97 110.83 2g0u h TYR 17 Ca 0.00 -0.02 -0.58 0.00 0.05 0.00 0.00 58.73 58.18 2g0u h TYR 17 Cb 0.00 -0.12 -0.10 0.00 1.01 0.00 0.00 36.73 37.52 2g0u h TYR 17 CO 0.00 0.37 0.76 -1.17 -1.05 0.00 0.00 178.16 177.07 2g0u s LEU 18 N -9.12 3.80 0.00 3.88 0.20 -1.21 -4.59 118.68 111.64 2g0u s LEU 18 Ca -0.07 -0.23 0.00 0.00 0.69 0.00 0.00 54.13 54.52 2g0u s LEU 18 Cb 0.16 -2.90 0.00 0.00 -0.43 0.00 0.00 46.19 43.02 2g0u s LEU 18 CO 0.74 -1.39 0.00 1.07 -0.29 0.00 0.00 176.35 176.48 2g0u n THR 19 N 6.37 0.00 -0.38 3.68 5.66 -1.26 -4.85 114.28 123.50 2g0u n THR 19 Ca 0.04 0.00 0.31 0.00 -3.05 0.00 0.00 64.05 61.35 2g0u n THR 19 Cb 0.48 0.00 0.57 0.00 -1.55 0.00 0.00 70.33 69.83 2g0u n THR 19 CO 0.00 0.00 0.00 1.23 -3.05 0.00 0.00 175.07 173.25 2g0u h GLY 20 N 0.00 1.66 -0.73 1.09 0.00 -1.92 -0.21 103.07 102.96 2g0u h GLY 20 Ca 0.00 -0.17 0.19 0.00 0.00 0.00 0.00 47.33 47.35 2g0u h GLY 20 CO 0.00 -0.45 -0.17 -2.22 0.00 0.00 0.00 176.54 173.70 2g0u h ILE 21 N 0.18 0.14 0.00 2.60 1.08 -1.96 -1.97 117.51 117.58 2g0u h ILE 21 Ca 0.77 -0.00 0.00 0.00 -0.39 0.00 0.00 64.86 65.24 2g0u h ILE 21 Cb 2.13 0.12 0.00 0.00 -3.07 0.00 0.00 36.82 36.01 2g0u h ILE 21 CO -0.51 0.00 0.00 0.61 -0.69 0.00 0.00 178.15 177.56 2g0u n GLY 22 N -1.54 -1.13 0.00 5.37 0.00 -0.09 -1.39 105.19 106.42 2g0u n GLY 22 Ca 0.14 0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.21 2g0u n GLY 22 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2g0u n ARG 23 N -1.97 1.33 0.00 1.61 -4.01 -0.82 -4.66 116.66 108.15 2g0u n ARG 23 Ca 0.02 -0.96 0.00 0.00 -1.04 0.00 0.00 57.85 55.88 2g0u n ARG 23 Cb 0.19 -0.83 0.00 0.00 -3.04 0.00 0.00 32.46 28.78 2g0u n ARG 23 CO 0.00 0.00 0.00 0.00 -3.04 0.00 0.00 177.63 174.59 2g0u n ALA 24 N -0.25 2.26 0.10 2.89 0.00 -0.81 -4.84 120.51 119.86 2g0u n ALA 24 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.27 2g0u n ALA 24 Cb 0.27 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.58 2g0u n ALA 24 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.50 178.24 2g0u h PHE 25 N 0.00 0.53 -0.91 0.00 -1.00 -1.41 -3.34 116.94 110.82 2g0u h PHE 25 Ca 0.00 -0.39 0.23 0.00 2.81 0.00 0.00 57.97 60.62 2g0u h PHE 25 Cb 0.00 -0.02 -0.16 0.00 3.61 0.00 0.00 35.95 39.37 2g0u h PHE 25 CO 0.00 1.32 0.02 0.22 -1.61 0.00 0.00 178.31 178.25 2g0u h ASP 26 N 0.08 -0.44 0.18 2.17 3.58 -1.67 -0.75 116.42 119.58 2g0u h ASP 26 Ca -0.16 0.25 -0.00 0.00 0.42 0.00 0.00 57.03 57.54 2g0u h ASP 26 Cb 2.00 0.44 -0.00 0.00 1.72 0.00 0.00 39.33 43.48 2g0u h ASP 26 CO 0.21 -0.28 -0.02 -0.78 -2.88 0.00 0.00 179.24 175.48 2g0u h ASP 27 N 0.05 0.00 0.56 2.28 3.58 -1.88 -1.73 116.42 119.28 2g0u h ASP 27 Ca 0.53 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.98 2g0u h ASP 27 Cb 1.03 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.08 2g0u h ASP 27 CO -0.83 0.02 -0.86 0.61 -2.88 0.00 0.00 179.24 175.30 2g0u n GLY 28 N -0.93 -1.27 0.00 -0.78 0.00 -0.30 -4.29 105.19 97.62 2g0u n GLY 28 Ca -0.02 -0.36 0.08 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 -1.96 0.00 0.34 1.61 0.31 -0.71 -4.21 118.33 113.71 2g0u n VAL 29 Ca 0.03 -0.26 0.20 0.00 -0.01 0.00 0.00 64.34 64.29 2g0u n VAL 29 Cb 0.43 0.51 1.06 0.00 -0.91 0.00 0.00 33.84 34.93 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 -0.77 5.55 1.57 -1.59 -0.39 116.57 120.94 2g0u h LYS 30 Ca 0.00 0.00 0.15 0.00 -1.87 0.00 0.00 60.65 58.93 2g0u h LYS 30 Cb 0.59 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.85 2g0u h LYS 30 CO 0.00 0.00 0.51 0.22 -0.57 0.00 0.00 179.45 179.61 2g0u h ASP 31 N 0.00 0.41 -0.68 0.86 3.58 -1.82 -2.26 116.42 116.51 2g0u h ASP 31 Ca 0.00 0.02 -0.03 0.00 0.42 0.00 0.00 57.03 57.45 2g0u h ASP 31 Cb 0.27 -0.06 -0.03 0.00 1.72 0.00 0.00 39.33 41.23 2g0u h ASP 31 CO 0.00 0.21 0.32 0.25 -2.88 0.00 0.00 179.24 177.15 2g0u h LEU 32 N 0.44 0.89 -1.14 2.28 6.46 -1.36 -0.42 115.31 122.45 2g0u h LEU 32 Ca 0.38 -0.13 -0.03 0.00 -0.12 0.00 0.00 57.88 57.98 2g0u h LEU 32 Cb 0.85 -0.23 -0.03 0.00 -0.73 0.00 0.00 40.66 40.53 2g0u h LEU 32 CO -0.13 0.77 0.27 -1.13 -0.62 0.00 0.00 178.44 177.60 2g0u h ASN 33 N 0.94 0.79 -0.46 1.25 -0.00 -1.55 -0.49 115.58 116.06 2g0u h ASN 33 Ca 0.23 -0.09 -0.09 0.00 -0.00 0.00 0.00 56.30 56.36 2g0u h ASN 33 Cb 0.12 -0.20 -0.02 0.00 -0.00 0.00 0.00 38.32 38.22 2g0u h ASN 33 CO -0.03 0.69 -0.05 0.50 -0.00 0.00 0.00 177.43 178.54 2g0u h LYS 34 N 0.87 0.85 -0.99 6.67 3.64 -1.30 -1.27 116.57 125.03 2g0u h LYS 34 Ca 0.21 -0.30 0.02 0.00 -1.27 0.00 0.00 60.65 59.32 2g0u h LYS 34 Cb 0.13 -0.06 -0.05 0.00 -0.41 0.00 0.00 32.23 31.83 2g0u h LYS 34 CO -0.02 0.92 0.65 1.96 -2.27 0.00 0.00 179.45 180.69 2g0u h GLN 35 N 0.69 1.26 -0.25 1.90 4.20 -0.60 -0.52 115.11 121.79 2g0u h GLN 35 Ca 0.12 -0.08 -0.16 0.00 0.06 0.00 0.00 58.65 58.60 2g0u h GLN 35 Cb 0.57 -0.28 0.00 0.00 0.30 0.00 0.00 27.48 28.07 2g0u h GLN 35 CO 0.03 0.84 -0.46 1.25 -0.67 0.00 0.00 178.83 179.82 2g0u h LEU 36 N 1.30 0.83 -1.35 1.46 5.85 -1.01 -0.56 115.31 121.83 2g0u h LEU 36 Ca 0.38 -0.54 -0.05 0.00 0.84 0.00 0.00 57.88 58.51 2g0u h LEU 36 Cb -0.08 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 40.70 2g0u h LEU 36 CO -0.10 1.21 -0.11 -0.61 -0.34 0.00 0.00 178.44 178.49 2g0u h GLN 37 N 0.48 0.29 -0.49 1.25 4.15 -1.05 0.73 115.11 120.46 2g0u h GLN 37 Ca 0.01 -0.07 -0.12 0.00 0.77 0.00 0.00 58.65 59.24 2g0u h GLN 37 Cb 1.06 -0.04 -0.01 0.00 0.21 0.00 0.00 27.48 28.70 2g0u h GLN 37 CO 0.10 0.42 -0.17 0.22 -1.93 0.00 0.00 178.83 177.47 2g0u h ASP 38 N 0.28 1.01 -0.50 -0.69 3.58 -0.97 -1.14 116.42 117.99 2g0u h ASP 38 Ca 0.06 -0.38 0.04 0.00 0.42 0.00 0.00 57.03 57.17 2g0u h ASP 38 Cb 0.38 -0.28 -0.04 0.00 1.72 0.00 0.00 39.33 41.11 2g0u h ASP 38 CO 0.02 1.16 0.26 0.00 -2.88 0.00 0.00 179.24 177.80 2g0u h ALA 39 N 0.88 0.63 0.00 -0.78 0.00 -0.47 -0.19 119.26 119.33 2g0u h ALA 39 Ca 0.12 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.00 2g0u h ALA 39 Cb 0.74 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 2g0u h ALA 39 CO 0.06 -0.08 -0.19 0.37 0.00 0.00 0.00 179.25 179.41 2g0u h GLN 40 N 0.51 0.00 0.11 0.00 4.15 -0.73 0.90 115.11 120.04 2g0u h GLN 40 Ca 0.21 0.00 -0.26 0.00 0.77 0.00 0.00 58.65 59.37 2g0u h GLN 40 Cb 0.10 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 27.79 2g0u h GLN 40 CO -0.14 0.19 -1.21 0.00 -1.93 0.00 0.00 178.83 175.74 2g0u h ALA 41 N 1.81 0.14 -0.43 3.38 0.00 -0.65 0.40 119.26 123.90 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 0.36 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 2g0u h ALA 41 CO 0.02 1.03 0.15 -0.91 0.00 0.00 0.00 179.25 179.54 2g0u h ASN 42 N 0.06 0.57 0.02 0.00 -0.26 -0.55 -1.35 115.58 114.07 2g0u h ASN 42 Ca -0.12 -0.07 -0.15 0.00 -0.56 0.00 0.00 56.30 55.40 2g0u h ASN 42 Cb 1.94 -0.15 -0.01 0.00 -1.06 0.00 0.00 38.32 39.05 2g0u h ASN 42 CO 0.19 0.53 -0.52 0.25 -1.06 0.00 0.00 177.43 176.83 2g0u h LEU 43 N 0.62 0.60 -0.98 1.61 5.85 -0.82 -3.18 115.31 119.01 2g0u h LEU 43 Ca 0.15 -0.31 -0.04 0.00 0.84 0.00 0.00 57.88 58.52 2g0u h LEU 43 Cb 0.16 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 40.99 2g0u h LEU 43 CO -0.01 1.01 0.23 0.74 -0.34 0.00 0.00 178.44 180.07 2g0u h THR 44 N 0.43 1.23 -0.28 1.05 2.02 0.76 0.20 112.91 118.33 2g0u h THR 44 Ca 0.02 -0.77 -0.01 0.00 0.77 0.00 0.00 66.41 66.42 2g0u h THR 44 Cb 1.05 0.49 -0.01 0.00 -1.74 0.00 0.00 68.15 67.93 2g0u h THR 44 CO 0.10 0.30 0.14 0.11 0.37 0.00 0.00 175.52 176.54 2g0u h LYS 45 N 0.95 0.38 -1.68 6.66 1.57 -1.30 -3.37 116.57 119.77 2g0u h LYS 45 Ca 0.22 -0.03 -0.28 0.00 -1.87 0.00 0.00 60.65 58.69 2g0u h LYS 45 Cb 0.22 -0.08 -0.28 0.00 0.08 0.00 0.00 32.23 32.18 2g0u h LYS 45 CO -0.01 0.29 -0.62 1.21 -0.57 0.00 0.00 179.45 179.75 2g0u s ASN 46 N -6.80 0.38 0.59 0.86 3.84 -0.74 -5.07 114.94 108.00 2g0u s ASN 46 Ca -0.07 -1.31 0.29 0.00 0.21 0.00 0.00 52.86 51.98 2g0u s ASN 46 Cb 0.17 0.97 1.34 0.00 -0.55 0.00 0.00 41.25 43.18 2g0u s ASN 46 CO 0.72 -0.24 1.73 -0.65 -2.79 0.00 0.00 177.10 175.87 2g0u h PRO 47 N 7.08 0.00 0.00 0.43 0.11 -0.81 -0.55 132.00 138.26 2g0u h PRO 47 Ca 0.05 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 66.08 2g0u h PRO 47 Cb 1.09 0.00 -0.17 0.00 0.11 0.00 0.00 31.00 32.04 2g0u h PRO 47 CO 0.17 0.00 -0.71 -1.13 -0.21 0.00 0.00 178.00 176.12 2g0u n SER 48 N -3.59 1.37 -4.69 -2.05 3.41 -1.26 -4.89 113.62 101.92 2g0u n SER 48 Ca 0.14 -2.99 -0.42 0.00 -0.26 0.00 0.00 58.87 55.33 2g0u n SER 48 Cb 0.95 -0.42 -0.03 0.00 -0.26 0.00 0.00 64.21 64.46 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 -2.62 6.45 0.41 4.04 -1.08 -0.21 -4.91 116.67 118.76 2g0u s ASP 49 Ca 0.35 2.71 0.20 0.00 -0.52 0.00 0.00 52.55 55.28 2g0u s ASP 49 Cb 0.36 -2.56 0.87 0.00 -1.46 0.00 0.00 42.92 40.13 2g0u s ASP 49 CO -0.11 -0.99 1.83 1.55 0.52 0.00 0.00 175.17 177.97 2g0u h PRO 50 N 8.70 0.00 0.17 4.34 0.13 -1.96 0.11 132.00 143.49 2g0u h PRO 50 Ca -0.46 0.00 -0.31 0.00 -0.87 0.00 0.00 66.00 64.36 2g0u h PRO 50 Cb 1.22 0.00 0.03 0.00 0.13 0.00 0.00 31.00 32.38 2g0u h PRO 50 CO 0.94 0.31 -1.32 1.15 -0.23 0.00 0.00 178.00 178.85 2g0u h THR 51 N 0.00 1.29 -0.84 1.56 2.02 -1.97 0.12 112.91 115.08 2g0u h THR 51 Ca -0.00 -2.55 0.07 0.00 0.77 0.00 0.00 66.41 64.70 2g0u h THR 51 Cb 0.72 2.84 -0.06 0.00 -1.74 0.00 0.00 68.15 69.91 2g0u h THR 51 CO 0.04 0.77 0.51 0.00 0.37 0.00 0.00 175.52 177.21 2g0u h ALA 52 N 0.23 1.15 0.11 6.16 0.00 -1.82 0.20 119.26 125.30 2g0u h ALA 52 Ca -0.21 -0.00 -0.27 0.00 0.00 0.00 0.00 54.91 54.42 2g0u h ALA 52 Cb 2.00 -0.21 0.01 0.00 0.00 0.00 0.00 17.79 19.59 2g0u h ALA 52 CO 0.25 0.24 -1.20 1.25 0.00 0.00 0.00 179.25 179.79 2g0u h LEU 53 N 0.92 0.49 -0.81 0.00 5.85 -0.82 -0.06 115.31 120.89 2g0u h LEU 53 Ca 0.37 -0.50 -0.02 0.00 0.84 0.00 0.00 57.88 58.57 2g0u h LEU 53 Cb 0.19 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 41.03 2g0u h LEU 53 CO -0.18 1.36 0.42 0.00 -0.34 0.00 0.00 178.44 179.71 2g0u h ALA 54 N 0.57 1.04 0.34 1.25 0.00 -0.62 0.13 119.26 121.97 2g0u h ALA 54 Ca -0.13 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.62 2g0u h ALA 54 Cb 1.91 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 19.38 2g0u h ALA 54 CO 0.20 0.57 -0.16 -0.97 0.00 0.00 0.00 179.25 178.88 2g0u h ASN 55 N 1.13 -0.39 -0.71 0.00 -1.24 -0.50 0.11 115.58 113.98 2g0u h ASN 55 Ca 0.28 -0.13 0.10 0.00 0.71 0.00 0.00 56.30 57.27 2g0u h ASN 55 Cb 0.06 0.10 -0.08 0.00 0.73 0.00 0.00 38.32 39.14 2g0u h ASN 55 CO -0.04 -0.08 0.33 0.22 -1.29 0.00 0.00 177.43 176.57 2g0u h TYR 56 N -0.72 0.59 -0.66 0.67 5.03 -0.99 -0.15 116.97 120.74 2g0u h TYR 56 Ca -0.05 0.03 -0.08 0.00 2.58 0.00 0.00 58.73 61.21 2g0u h TYR 56 Cb 0.49 -0.15 -0.03 0.00 1.55 0.00 0.00 36.73 38.59 2g0u h TYR 56 CO 0.01 0.18 0.10 1.96 -1.32 0.00 0.00 178.16 179.08 2g0u h GLN 57 N 0.55 1.09 -0.22 1.82 1.08 -0.62 0.16 115.11 118.98 2g0u h GLN 57 Ca 0.36 -0.29 -0.04 0.00 -1.45 0.00 0.00 58.65 57.23 2g0u h GLN 57 Cb 0.43 -0.13 -0.01 0.00 -0.05 0.00 0.00 27.48 27.73 2g0u h GLN 57 CO -0.30 1.00 -0.03 1.98 -0.95 0.00 0.00 178.83 180.53 2g0u h MET 58 N 1.02 0.40 -0.21 1.46 4.05 -0.50 0.02 114.93 121.18 2g0u h MET 58 Ca 0.20 -0.14 -0.15 0.00 -0.28 0.00 0.00 59.70 59.33 2g0u h MET 58 Cb 0.45 -0.03 -0.01 0.00 -0.80 0.00 0.00 31.60 31.21 2g0u h MET 58 CO 0.01 0.63 -0.49 0.82 0.23 0.00 0.00 176.91 178.11 2g0u h ILE 59 N 0.14 1.31 -0.10 1.77 2.04 -1.00 -2.84 117.51 118.84 2g0u h ILE 59 Ca 0.06 -1.71 -0.12 0.00 1.00 0.00 0.00 64.86 64.09 2g0u h ILE 59 Cb 0.46 1.69 -0.01 0.00 -0.74 0.00 0.00 36.82 38.22 2g0u h ILE 59 CO 0.02 0.53 -0.47 -0.03 0.00 0.00 0.00 178.15 178.20 2g0u h MET 60 N 0.44 0.26 -0.61 2.37 4.05 -0.63 0.12 114.93 120.92 2g0u h MET 60 Ca 0.02 -0.14 0.01 0.00 -0.28 0.00 0.00 59.70 59.32 2g0u h MET 60 Cb 1.02 0.01 -0.03 0.00 -0.80 0.00 0.00 31.60 31.79 2g0u h MET 60 CO 0.09 0.68 0.41 0.77 0.23 0.00 0.00 176.91 179.09 2g0u h SER 61 N 0.21 0.68 0.09 1.39 0.02 -0.86 0.73 113.55 115.81 2g0u h SER 61 Ca 0.01 -0.01 -0.25 0.00 -0.84 0.00 0.00 61.79 60.70 2g0u h SER 61 Cb 0.91 -0.17 0.02 0.00 0.14 0.00 0.00 62.40 63.31 2g0u h SER 61 CO 0.07 0.49 -1.02 -0.08 -1.14 0.00 0.00 176.83 175.15 2g0u h GLU 62 N 0.80 0.52 -0.49 3.45 4.81 -1.21 -3.31 114.58 119.16 2g0u h GLU 62 Ca 0.23 -0.69 -0.04 0.00 -0.13 0.00 0.00 59.36 58.73 2g0u h GLU 62 Cb -0.04 0.23 -0.02 0.00 0.63 0.00 0.00 28.75 29.54 2g0u h GLU 62 CO -0.05 1.29 0.14 -0.92 -0.73 0.00 0.00 179.01 178.74 2g0u h TYR 63 N 0.08 0.79 -0.43 0.92 3.20 -0.54 -2.48 116.97 118.51 2g0u h TYR 63 Ca -0.15 -0.09 -0.09 0.00 3.14 0.00 0.00 58.73 61.54 2g0u h TYR 63 Cb 1.73 -0.23 -0.02 0.00 1.54 0.00 0.00 36.73 39.75 2g0u h TYR 63 CO 0.14 0.70 -0.10 -0.97 -1.64 0.00 0.00 178.16 176.30 2g0u h ASN 64 N 0.66 0.74 -0.31 -2.11 -0.73 -1.01 0.91 115.58 113.72 2g0u h ASN 64 Ca 0.16 -0.21 -0.02 0.00 1.87 0.00 0.00 56.30 58.09 2g0u h ASN 64 Cb 0.29 -0.20 -0.01 0.00 0.27 0.00 0.00 38.32 38.67 2g0u h ASN 64 CO -0.00 0.87 0.13 0.25 -0.37 0.00 0.00 177.43 178.30 2g0u h LEU 65 N 0.69 0.43 -1.39 0.34 5.85 -1.63 -2.96 115.31 116.63 2g0u h LEU 65 Ca 0.12 -0.16 -0.05 0.00 0.84 0.00 0.00 57.88 58.62 2g0u h LEU 65 Cb 0.56 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.47 2g0u h LEU 65 CO 0.03 0.47 -0.17 0.22 -0.34 0.00 0.00 178.44 178.66 2g0u h TYR 66 N 0.36 0.20 -0.70 1.25 3.20 -0.99 -3.20 116.97 117.10 2g0u h TYR 66 Ca 0.10 -0.02 0.10 0.00 3.14 0.00 0.00 58.73 62.05 2g0u h TYR 66 Cb 0.18 -0.06 -0.04 0.00 1.54 0.00 0.00 36.73 38.35 2g0u h TYR 66 CO -0.01 0.36 0.46 -0.09 -1.64 0.00 0.00 178.16 177.24 2g0u h ARG 67 N 0.18 0.56 -0.74 1.82 9.65 -0.65 0.20 114.38 125.39 2g0u h ARG 67 Ca 0.03 -0.03 -0.02 0.00 -1.10 0.00 0.00 59.98 58.86 2g0u h ARG 67 Cb 0.42 -0.13 -0.04 0.00 -1.39 0.00 0.00 29.97 28.83 2g0u h ARG 67 CO 0.03 0.37 0.39 -0.97 2.80 0.00 0.00 179.97 182.59 2g0u h ASN 68 N 0.57 0.92 0.34 -3.80 -1.24 -1.64 -1.37 115.58 109.37 2g0u h ASN 68 Ca 0.32 -0.08 -0.30 0.00 0.71 0.00 0.00 56.30 56.95 2g0u h ASN 68 Cb 0.49 -0.23 0.02 0.00 0.73 0.00 0.00 38.32 39.32 2g0u h ASN 68 CO -0.11 0.75 -1.30 0.00 -1.29 0.00 0.00 177.43 175.49 2g0u h ALA 69 N 1.40 0.01 -0.50 1.57 0.00 -1.12 -3.31 119.26 117.29 2g0u h ALA 69 Ca 0.26 -0.83 0.01 0.00 0.00 0.00 0.00 54.91 54.35 2g0u h ALA 69 Cb 0.05 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 2g0u h ALA 69 CO -0.04 0.79 0.33 0.37 0.00 0.00 0.00 179.25 180.70 2g0u h GLN 70 N 0.17 0.66 -0.89 0.00 5.75 -0.56 -1.93 115.11 118.32 2g0u h GLN 70 Ca -0.19 -0.04 0.11 0.00 -0.15 0.00 0.00 58.65 58.38 2g0u h GLN 70 Cb 1.99 -0.15 -0.08 0.00 1.07 0.00 0.00 27.48 30.31 2g0u h GLN 70 CO 0.23 0.44 0.52 1.03 -2.65 0.00 0.00 178.83 178.41 2g0u h SER 71 N 0.68 0.75 -0.08 -0.69 0.87 -1.34 0.35 113.55 114.09 2g0u h SER 71 Ca 0.18 0.05 -0.02 0.00 -1.23 0.00 0.00 61.79 60.77 2g0u h SER 71 Cb -0.08 -0.09 -0.00 0.00 -0.44 0.00 0.00 62.40 61.79 2g0u h SER 71 CO -0.04 0.41 -0.04 -1.28 -0.53 0.00 0.00 176.83 175.35 2g0u h SER 72 N 0.85 0.18 0.28 6.23 0.87 -1.49 -3.26 113.55 117.20 2g0u h SER 72 Ca 0.44 -0.41 -0.05 0.00 -1.23 0.00 0.00 61.79 60.53 2g0u h SER 72 Cb 0.43 -0.05 -0.01 0.00 -0.44 0.00 0.00 62.40 62.33 2g0u h SER 72 CO -0.26 0.55 -0.25 0.00 -0.53 0.00 0.00 176.83 176.34 2g0u h ALA 73 N 0.63 1.53 -0.70 6.23 0.00 -1.13 -2.15 119.26 123.67 2g0u h ALA 73 Ca 0.02 -0.22 0.03 0.00 0.00 0.00 0.00 54.91 54.74 2g0u h ALA 73 Cb 0.49 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.20 2g0u h ALA 73 CO 0.01 0.31 0.46 0.28 0.00 0.00 0.00 179.25 180.31 2g0u h VAL 74 N 0.00 1.11 0.00 0.00 2.07 -0.98 -2.70 116.25 115.75 2g0u h VAL 74 Ca -0.00 -0.29 -0.12 0.00 0.82 0.00 0.00 66.70 67.11 2g0u h VAL 74 Cb 0.45 0.18 -0.02 0.00 -1.52 0.00 0.00 31.29 30.39 2g0u h VAL 74 CO 0.03 0.15 -0.57 0.11 0.02 0.00 0.00 177.57 177.31 2g0u h LYS 75 N 0.85 0.00 -0.25 1.57 1.57 -1.44 -3.10 116.57 115.77 2g0u h LYS 75 Ca 0.28 0.00 0.04 0.00 -1.87 0.00 0.00 60.65 59.09 2g0u h LYS 75 Cb 0.06 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.35 2g0u h LYS 75 CO -0.08 0.57 0.17 0.77 -0.57 0.00 0.00 179.45 180.31 2g0u h SER 76 N 0.00 0.16 0.06 0.86 0.02 -1.43 -2.42 113.55 110.81 2g0u h SER 76 Ca -0.01 -0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.94 2g0u h SER 76 Cb 1.18 -0.04 -0.00 0.00 0.14 0.00 0.00 62.40 63.69 2g0u h SER 76 CO 0.07 0.11 -0.03 -0.03 -1.14 0.00 0.00 176.83 175.82 2g0u h MET 77 N 0.18 0.00 0.00 3.45 1.85 -1.59 -2.06 114.93 116.76 2g0u h MET 77 Ca 0.11 0.00 -0.02 0.00 -0.61 0.00 0.00 59.70 59.18 2g0u h MET 77 Cb 0.20 0.00 -0.00 0.00 0.43 0.00 0.00 31.60 32.23 2g0u h MET 77 CO -0.02 0.03 -0.10 -0.22 -0.40 0.00 0.00 176.91 176.20 2g0u h LYS 78 N 0.00 0.00 -0.01 0.39 1.63 -1.62 -0.89 116.57 116.07 2g0u h LYS 78 Ca -0.00 0.00 -0.25 0.00 -0.85 0.00 0.00 60.65 59.55 2g0u h LYS 78 Cb 0.07 0.00 0.01 0.00 -0.60 0.00 0.00 32.23 31.71 2g0u h LYS 78 CO 0.00 0.10 -0.99 0.22 -3.45 0.00 0.00 179.45 175.33 2g0u h ASP 79 N 0.00 0.80 -0.40 4.20 3.58 -1.55 -3.30 116.42 119.76 2g0u h ASP 79 Ca -0.00 -0.63 -0.05 0.00 0.42 0.00 0.00 57.03 56.76 2g0u h ASP 79 Cb 0.19 -0.25 -0.02 0.00 1.72 0.00 0.00 39.33 40.98 2g0u h ASP 79 CO 0.01 1.43 0.07 0.40 -2.88 0.00 0.00 179.24 178.27 2g0u h ILE 80 N 0.36 1.22 -0.05 2.25 1.08 -1.37 -2.61 117.51 118.39 2g0u h ILE 80 Ca -0.11 -0.84 0.01 0.00 -0.39 0.00 0.00 64.86 63.54 2g0u h ILE 80 Cb 1.63 0.78 -0.00 0.00 -3.07 0.00 0.00 36.82 36.17 2g0u h ILE 80 CO 0.19 0.30 0.15 0.44 -0.69 0.00 0.00 178.15 178.54 2g0u h ASP 81 N 0.70 0.00 -0.02 1.72 3.32 -1.27 -2.46 116.42 118.42 2g0u h ASP 81 Ca 0.15 0.00 0.01 0.00 0.02 0.00 0.00 57.03 57.21 2g0u h ASP 81 Cb 0.33 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.88 2g0u h ASP 81 CO 0.01 0.00 0.09 -1.28 -1.72 0.00 0.00 179.24 176.33 2g0u h SER 82 N 0.00 0.00 0.89 6.45 0.87 -1.60 -1.83 113.55 118.33 2g0u h SER 82 Ca 0.02 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.58 2g0u h SER 82 Cb 0.33 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.29 2g0u h SER 82 CO -0.00 0.00 -0.00 0.77 -0.53 0.00 0.00 176.83 177.07 2g0u h SER 83 N 0.00 0.00 -3.78 6.23 4.64 -1.66 -3.44 113.55 115.54 2g0u h SER 83 Ca 0.01 0.00 -0.50 0.00 -0.47 0.00 0.00 61.79 60.83 2g0u h SER 83 Cb 0.18 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.28 2g0u h SER 83 CO -0.00 0.00 0.47 -0.63 -0.87 0.00 0.00 176.83 175.80 2g0u s ILE 84 N -3.73 3.56 0.00 0.95 1.09 -0.69 -4.94 121.20 117.44 2g0u s ILE 84 Ca 0.00 1.55 0.00 0.00 -1.10 0.00 0.00 60.65 61.11 2g0u s ILE 84 Cb 0.09 -3.99 0.00 0.00 -1.06 0.00 0.00 42.46 37.51 2g0u s ILE 84 CO 0.53 0.36 1.49 -0.11 -0.10 0.00 0.00 174.94 177.10 2g0u n LEU 85 N 1.34 4.03 0.00 2.97 7.94 -1.26 -4.45 117.00 127.57 2g0u n LEU 85 Ca -0.01 -1.84 0.10 0.00 -1.11 0.00 0.00 56.01 53.15 2g0u n LEU 85 Cb 0.45 -0.83 0.60 0.00 0.53 0.00 0.00 43.42 44.17 2g0u n LEU 85 CO 0.54 0.75 0.81 -1.84 -1.11 0.00 0.00 177.39 176.54 2g0u n GLU 86 N 1.36 0.75 -0.53 1.96 0.28 -1.26 -4.92 120.64 118.27 2g0u n GLU 86 Ca 0.00 0.00 -0.29 0.00 -0.16 0.00 0.00 57.16 56.71 2g0u n GLU 86 Cb 0.42 -1.42 0.24 0.00 1.43 0.00 0.00 31.44 32.11 2g0u n GLU 86 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 177.13 175.39 2g0u s HIS 87 N -2.00 1.35 -0.62 -1.84 2.46 -1.26 -4.87 115.29 108.50 2g0u s HIS 87 Ca 0.30 1.32 0.00 0.00 0.47 0.00 0.00 55.06 57.15 2g0u s HIS 87 Cb 0.14 -3.14 0.00 0.00 -0.13 0.00 0.00 32.58 29.45 2g0u s HIS 87 CO 0.23 -3.74 0.29 1.58 -2.47 0.00 0.00 174.74 170.63 2g0u n HIS 88 N -4.84 0.00 1.10 3.88 -0.00 -1.26 -3.97 115.22 110.13 2g0u n HIS 88 Ca 0.05 -0.08 0.02 0.00 0.46 0.00 0.00 57.72 58.17 2g0u n HIS 88 Cb 0.54 -0.09 0.13 0.00 -0.12 0.00 0.00 29.99 30.44 2g0u n HIS 88 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52 2g0u n HIS 89 N 0.48 0.00 -4.06 1.57 8.25 -1.26 -4.78 115.22 115.42 2g0u n HIS 89 Ca 0.00 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.32 2g0u n HIS 89 Cb 0.15 0.00 -0.13 0.00 1.12 0.00 0.00 29.99 31.12 2g0u n HIS 89 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 2g0u s HIS 90 N -2.00 0.37 0.16 4.41 4.02 -1.25 -5.17 115.29 115.83 2g0u s HIS 90 Ca 0.06 -0.18 0.01 0.00 1.02 0.00 0.00 55.06 55.97 2g0u s HIS 90 Cb 0.03 -0.24 -0.04 0.00 -1.02 0.00 0.00 32.58 31.31 2g0u s HIS 90 CO 0.05 -0.04 0.03 -1.01 1.02 0.00 0.00 174.74 174.79 2g0u s HIS 91 N -0.44 1.12 0.00 1.40 3.76 -1.26 -5.13 115.29 114.74 2g0u s HIS 91 Ca -0.02 -1.10 0.00 0.00 -0.15 0.00 0.00 55.06 53.79 2g0u s HIS 91 Cb -0.04 -0.64 0.00 0.00 1.11 0.00 0.00 32.58 33.02 2g0u s HIS 91 CO -0.00 -0.32 0.03 0.72 -0.85 0.00 0.00 174.74 174.32