#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cgi s ASP 8 N 0.00 5.71 0.00 1.09 1.11 -1.26 -5.01 116.67 118.31 3cgi s ASP 8 Ca 0.00 2.74 0.03 0.00 0.18 0.00 0.00 52.55 55.50 3cgi s ASP 8 Cb 0.00 -2.64 -0.01 0.00 1.07 0.00 0.00 42.92 41.34 3cgi s ASP 8 CO 0.00 -1.27 -0.09 -0.60 1.18 0.00 0.00 175.17 174.39 3cgi s ARG 9 N -2.64 0.72 -0.00 8.23 3.52 -1.26 -5.15 118.95 122.37 3cgi s ARG 9 Ca 0.65 -0.42 -0.18 0.00 -0.13 0.00 0.00 55.73 55.66 3cgi s ARG 9 Cb -0.40 -0.69 0.03 0.00 -1.56 0.00 0.00 34.95 32.34 3cgi s ARG 9 CO 0.49 0.18 0.39 1.41 -0.81 0.00 0.00 175.30 176.96 3cgi s MET 10 N -0.46 0.80 -0.05 5.12 1.75 -1.26 -5.14 119.30 120.05 3cgi s MET 10 Ca 0.02 -0.20 -0.14 0.00 -1.25 0.00 0.00 55.69 54.12 3cgi s MET 10 Cb -0.05 0.36 -0.05 0.00 2.84 0.00 0.00 34.83 37.93 3cgi s MET 10 CO -0.00 -0.24 0.37 0.42 -0.65 0.00 0.00 175.02 174.92 3cgi s ILE 11 N -1.69 5.14 -0.21 10.11 1.01 -1.26 -5.07 121.20 129.22 3cgi s ILE 11 Ca -0.10 0.74 0.01 0.00 0.00 0.00 0.00 60.65 61.30 3cgi s ILE 11 Cb -0.03 -3.68 0.04 0.00 0.01 0.00 0.00 42.46 38.80 3cgi s ILE 11 CO 0.03 0.53 -0.12 -1.10 0.00 0.00 0.00 174.94 174.28 3cgi s GLN 12 N -0.66 2.18 -0.31 2.79 -1.52 -1.26 -5.08 119.66 115.80 3cgi s GLN 12 Ca 0.22 -0.92 -0.23 0.00 -1.95 0.00 0.00 55.36 52.48 3cgi s GLN 12 Cb -0.15 -2.51 -0.00 0.00 -0.22 0.00 0.00 33.01 30.13 3cgi s GLN 12 CO 0.11 -0.42 0.77 -1.21 -0.25 0.00 0.00 175.29 174.28 3cgi s GLU 13 N 1.34 3.94 0.03 2.91 2.02 -1.26 -5.03 118.70 122.66 3cgi s GLU 13 Ca -0.02 0.54 -0.17 0.00 0.02 0.00 0.00 54.97 55.34 3cgi s GLU 13 Cb -0.16 -3.73 -0.06 0.00 0.10 0.00 0.00 34.13 30.27 3cgi s GLU 13 CO -0.08 -0.68 0.50 1.52 0.02 0.00 0.00 175.26 176.54 3cgi s TYR 14 N 2.92 3.76 0.01 1.61 1.13 -1.26 -5.07 117.35 120.46 3cgi s TYR 14 Ca 0.31 1.14 -0.04 0.00 -1.41 0.00 0.00 57.07 57.07 3cgi s TYR 14 Cb -0.14 -2.41 -0.01 0.00 -1.10 0.00 0.00 41.96 38.30 3cgi s TYR 14 CO 0.13 0.59 0.06 0.14 -2.51 0.00 0.00 175.55 173.96 3cgi s VAL 15 N -1.00 0.10 0.48 -3.49 -7.23 -1.26 -5.15 120.40 102.84 3cgi s VAL 15 Ca 0.27 -0.81 -0.22 0.00 -1.81 0.00 0.00 61.98 59.41 3cgi s VAL 15 Cb -0.18 -0.39 -0.07 0.00 0.56 0.00 0.00 36.38 36.30 3cgi s VAL 15 CO 0.16 -0.45 1.15 -2.16 -0.31 0.00 0.00 175.10 173.50 3cgi s PRO 16 N -1.49 3.67 0.90 4.82 0.04 -1.26 -5.04 135.00 136.63 3cgi s PRO 16 Ca -0.15 1.71 -0.13 0.00 0.04 0.00 0.00 61.00 62.48 3cgi s PRO 16 Cb -0.08 -2.30 0.17 0.00 0.04 0.00 0.00 34.50 32.33 3cgi s PRO 16 CO 0.00 -0.61 1.25 0.20 0.04 0.00 0.00 177.00 177.87 3cgi s GLY 17 N -1.49 1.76 -0.33 0.56 0.00 -1.26 -4.90 107.32 101.66 3cgi s GLY 17 Ca 0.66 -1.25 0.01 0.00 0.00 0.00 0.00 44.72 44.14 3cgi s GLY 17 CO 0.32 -0.55 0.04 0.54 0.00 0.00 0.00 173.10 173.45 3cgi s LYS 18 N -5.72 1.91 -0.26 2.90 1.02 -1.26 -2.42 119.74 115.91 3cgi s LYS 18 Ca 0.71 -1.65 -0.21 0.00 0.02 0.00 0.00 55.97 54.85 3cgi s LYS 18 Cb -0.05 -3.21 0.07 0.00 -0.52 0.00 0.00 37.83 34.12 3cgi s LYS 18 CO 0.51 -0.83 0.67 -1.14 -0.92 0.00 0.00 175.35 173.64 3cgi s GLN 19 N 1.05 0.75 -0.42 1.68 0.74 -0.05 -1.18 119.66 122.23 3cgi s GLN 19 Ca 0.03 1.02 -0.15 0.00 0.05 0.00 0.00 55.36 56.31 3cgi s GLN 19 Cb -0.20 0.30 0.03 0.00 1.10 0.00 0.00 33.01 34.24 3cgi s GLN 19 CO -0.05 -0.11 0.32 0.08 -0.55 0.00 0.00 175.29 174.97 3cgi s VAL 20 N 0.77 5.20 -0.05 1.34 1.01 0.36 -1.20 120.40 127.84 3cgi s VAL 20 Ca -0.03 -0.78 -0.05 0.00 0.00 0.00 0.00 61.98 61.12 3cgi s VAL 20 Cb -0.05 -3.95 -0.28 0.00 0.00 0.00 0.00 36.38 32.10 3cgi s VAL 20 CO -0.06 -0.37 0.64 0.74 0.00 0.00 0.00 175.10 176.05 3cgi h THR 21 N 5.68 0.90 -4.19 3.92 2.02 -1.14 -2.32 112.91 117.78 3cgi h THR 21 Ca -0.27 -2.57 -0.51 0.00 0.77 0.00 0.00 66.41 63.82 3cgi h THR 21 Cb 1.12 2.65 -0.30 0.00 -1.74 0.00 0.00 68.15 69.88 3cgi h THR 21 CO 0.76 0.82 -0.82 -0.22 0.37 0.00 0.00 175.52 176.43 3cgi s LEU 22 N -7.00 2.00 -0.38 2.58 2.96 -1.22 -4.70 118.68 112.93 3cgi s LEU 22 Ca -0.14 -0.29 0.03 0.00 -0.22 0.00 0.00 54.13 53.51 3cgi s LEU 22 Cb 0.06 -0.81 0.16 0.00 0.50 0.00 0.00 46.19 46.10 3cgi s LEU 22 CO 0.83 0.18 0.39 0.00 -1.32 0.00 0.00 176.35 176.42 3cgi s ALA 23 N -0.29 -0.34 -0.03 5.97 0.00 -1.23 -1.77 121.76 124.09 3cgi s ALA 23 Ca 0.04 -1.10 0.04 0.00 0.00 0.00 0.00 51.96 50.94 3cgi s ALA 23 Cb -0.07 -2.04 -0.00 0.00 0.00 0.00 0.00 23.12 21.00 3cgi s ALA 23 CO -0.00 -2.15 -0.13 -1.58 0.00 0.00 0.00 175.76 171.90 3cgi s HIS 24 N 1.28 1.31 -0.15 0.00 5.04 -0.11 -1.77 115.29 120.89 3cgi s HIS 24 Ca 0.19 -0.32 -0.05 0.00 -1.54 0.00 0.00 55.06 53.34 3cgi s HIS 24 Cb -0.14 -0.89 -0.03 0.00 0.04 0.00 0.00 32.58 31.56 3cgi s HIS 24 CO -0.03 -0.10 -0.00 -1.17 -2.34 0.00 0.00 174.74 171.10 3cgi s LEU 25 N -0.03 3.48 -0.25 8.88 2.96 0.47 -0.79 118.68 133.40 3cgi s LEU 25 Ca -0.01 -0.02 0.02 0.00 -0.22 0.00 0.00 54.13 53.91 3cgi s LEU 25 Cb -0.09 -1.84 0.06 0.00 0.50 0.00 0.00 46.19 44.82 3cgi s LEU 25 CO 0.01 0.21 -0.10 -0.63 -1.32 0.00 0.00 176.35 174.51 3cgi s ILE 26 N 0.15 2.00 0.13 6.68 1.01 -0.37 0.61 121.20 131.41 3cgi s ILE 26 Ca 0.01 -1.47 -0.13 0.00 0.00 0.00 0.00 60.65 59.06 3cgi s ILE 26 Cb -0.13 -2.12 -0.04 0.00 0.01 0.00 0.00 42.46 40.18 3cgi s ILE 26 CO 0.02 -0.00 1.49 0.00 0.00 0.00 0.00 174.94 176.45 3cgi h ALA 27 N 7.83 0.54 -2.37 9.38 0.00 -1.63 -0.82 119.26 132.20 3cgi h ALA 27 Ca -0.21 -0.38 -0.59 0.00 0.00 0.00 0.00 54.91 53.73 3cgi h ALA 27 Cb 1.06 -0.13 -0.40 0.00 0.00 0.00 0.00 17.79 18.32 3cgi h ALA 27 CO 0.46 0.53 -0.88 0.09 0.00 0.00 0.00 179.25 179.44 3cgi n ASN 28 N -4.22 0.99 -4.80 0.00 4.13 -1.26 -3.33 115.26 106.77 3cgi n ASN 28 Ca -0.02 -2.78 -0.33 0.00 1.68 0.00 0.00 54.58 53.13 3cgi n ASN 28 Cb 0.45 -0.63 -0.00 0.00 -1.54 0.00 0.00 39.78 38.05 3cgi n ASN 28 CO 0.00 0.00 0.00 -2.16 0.28 0.00 0.00 177.26 175.38 3cgi s PRO 29 N -0.97 3.48 0.70 3.52 0.04 -1.26 -5.00 135.00 135.50 3cgi s PRO 29 Ca 0.33 1.26 -0.15 0.00 0.04 0.00 0.00 61.00 62.47 3cgi s PRO 29 Cb 0.08 -2.05 0.02 0.00 0.04 0.00 0.00 34.50 32.59 3cgi s PRO 29 CO -0.14 -0.69 1.17 0.20 0.04 0.00 0.00 177.00 177.58 3cgi s GLY 30 N -2.53 2.30 0.28 0.56 0.00 -1.26 -4.85 107.32 101.82 3cgi s GLY 30 Ca 0.65 0.77 -0.02 0.00 0.00 0.00 0.00 44.72 46.11 3cgi s GLY 30 CO 0.31 1.15 1.85 1.70 0.00 0.00 0.00 173.10 178.12 3cgi h LYS 31 N -0.10 0.92 -0.53 2.90 3.64 -1.99 -1.17 116.57 120.25 3cgi h LYS 31 Ca -0.47 -0.16 -0.05 0.00 -1.27 0.00 0.00 60.65 58.69 3cgi h LYS 31 Cb 1.28 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 32.92 3cgi h LYS 31 CO 0.52 0.77 0.11 0.22 -2.27 0.00 0.00 179.45 178.80 3cgi h ASP 32 N 0.90 0.81 -0.30 4.20 3.58 -1.99 -0.17 116.42 123.44 3cgi h ASP 32 Ca 0.21 -0.24 -0.02 0.00 0.42 0.00 0.00 57.03 57.39 3cgi h ASP 32 Cb 0.21 -0.21 -0.01 0.00 1.72 0.00 0.00 39.33 41.03 3cgi h ASP 32 CO -0.02 0.84 0.10 0.25 -2.88 0.00 0.00 179.24 177.54 3cgi h LEU 33 N 0.74 0.44 -0.53 2.28 5.85 -1.87 0.09 115.31 122.32 3cgi h LEU 33 Ca 0.16 -0.20 0.04 0.00 0.84 0.00 0.00 57.88 58.73 3cgi h LEU 33 Cb 0.36 -0.11 -0.04 0.00 0.37 0.00 0.00 40.66 41.23 3cgi h LEU 33 CO 0.00 0.52 0.28 0.15 -0.34 0.00 0.00 178.44 179.05 3cgi h PHE 34 N 0.34 0.51 -0.18 1.25 3.57 -1.04 -1.65 116.94 119.74 3cgi h PHE 34 Ca 0.10 0.02 -0.17 0.00 3.53 0.00 0.00 57.97 61.45 3cgi h PHE 34 Cb 0.23 -0.15 0.00 0.00 2.79 0.00 0.00 35.95 38.83 3cgi h PHE 34 CO 0.00 0.25 -0.55 0.87 -2.23 0.00 0.00 178.31 176.66 3cgi h LYS 35 N 0.54 0.68 -0.12 1.11 1.57 -0.88 -2.58 116.57 116.89 3cgi h LYS 35 Ca 0.23 -0.50 0.04 0.00 -1.87 0.00 0.00 60.65 58.54 3cgi h LYS 35 Cb 0.12 0.09 -0.00 0.00 0.08 0.00 0.00 32.23 32.51 3cgi h LYS 35 CO -0.15 1.12 0.12 0.87 -0.57 0.00 0.00 179.45 180.84 3cgi h LYS 36 N 0.38 0.00 -0.00 3.15 1.57 -0.70 0.25 116.57 121.22 3cgi h LYS 36 Ca -0.02 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 3cgi h LYS 36 Cb 1.17 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.48 3cgi h LYS 36 CO 0.12 0.00 -0.00 1.28 -0.57 0.00 0.00 179.45 180.28 3cgi n LEU 37 N -4.00 0.00 -0.50 2.94 4.77 -0.64 -4.90 117.00 114.67 3cgi n LEU 37 Ca 0.00 0.19 -0.06 0.00 -0.03 0.00 0.00 56.01 56.12 3cgi n LEU 37 Cb 0.23 -0.19 -0.02 0.00 -2.33 0.00 0.00 43.42 41.12 3cgi n LEU 37 CO 0.29 0.00 -0.06 0.61 -1.33 0.00 0.00 177.39 176.91 3cgi n GLY 38 N 1.19 0.57 3.79 -0.72 0.00 0.88 -5.01 105.19 105.90 3cgi n GLY 38 Ca 0.17 -0.75 -0.37 0.00 0.00 0.00 0.00 46.02 45.07 3cgi n GLY 38 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3cgi s LEU 39 N -1.39 4.42 0.55 0.99 1.43 -0.99 -5.04 118.68 118.65 3cgi s LEU 39 Ca 0.00 1.67 0.05 0.00 -1.03 0.00 0.00 54.13 54.81 3cgi s LEU 39 Cb 0.00 -3.69 0.04 0.00 0.03 0.00 0.00 46.19 42.56 3cgi s LEU 39 CO 0.00 0.04 0.37 -1.10 0.23 0.00 0.00 176.35 175.89 3cgi s GLN 40 N -1.78 2.24 0.09 1.70 -0.21 -1.26 -4.59 119.66 115.86 3cgi s GLN 40 Ca 0.44 -2.08 0.00 0.00 0.02 0.00 0.00 55.36 53.74 3cgi s GLN 40 Cb -0.19 -2.03 0.00 0.00 1.00 0.00 0.00 33.01 31.78 3cgi s GLN 40 CO 0.24 -0.62 0.00 -0.25 -2.12 0.00 0.00 175.29 172.54 3cgi n ASP 41 N -1.74 -1.92 -4.74 5.90 8.00 -1.26 -4.87 116.55 115.92 3cgi n ASP 41 Ca -0.04 0.18 -0.38 0.00 0.71 0.00 0.00 54.79 55.27 3cgi n ASP 41 Cb 0.65 -1.01 0.05 0.00 -0.02 0.00 0.00 41.12 40.79 3cgi n ASP 41 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3cgi s ALA 42 N -1.83 2.63 0.47 2.24 0.00 -1.26 -4.92 121.76 119.09 3cgi s ALA 42 Ca 0.00 1.29 -0.24 0.00 0.00 0.00 0.00 51.96 53.00 3cgi s ALA 42 Cb 0.00 -3.56 -0.08 0.00 0.00 0.00 0.00 23.12 19.48 3cgi s ALA 42 CO 0.00 -1.48 1.38 0.28 0.00 0.00 0.00 175.76 175.94 3cgi n VAL 43 N -1.41 3.05 -4.06 0.00 0.31 -1.26 -5.00 118.33 109.95 3cgi n VAL 43 Ca 0.13 -0.50 -0.13 0.00 -0.01 0.00 0.00 64.34 63.82 3cgi n VAL 43 Cb 0.46 -1.73 -0.04 0.00 -0.91 0.00 0.00 33.84 31.62 3cgi n VAL 43 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 3cgi s SER 44 N -0.61 0.70 0.61 4.52 1.04 -1.26 -5.10 113.70 113.60 3cgi s SER 44 Ca 0.64 -1.39 -0.18 0.00 0.48 0.00 0.00 55.95 55.50 3cgi s SER 44 Cb -0.45 0.66 -0.03 0.00 0.10 0.00 0.00 66.02 66.30 3cgi s SER 44 CO 0.55 -1.29 1.20 0.00 0.98 0.00 0.00 173.24 174.68 3cgi s ALA 45 N -3.17 2.50 0.09 5.32 0.00 -1.21 -4.44 121.76 120.85 3cgi s ALA 45 Ca 0.29 0.96 0.08 0.00 0.00 0.00 0.00 51.96 53.28 3cgi s ALA 45 Cb -0.01 -3.44 -0.03 0.00 0.00 0.00 0.00 23.12 19.64 3cgi s ALA 45 CO 0.18 -1.24 -0.21 0.96 0.00 0.00 0.00 175.76 175.46 3cgi s ILE 46 N -1.69 1.68 -0.08 0.00 -4.36 -0.31 -2.98 121.20 113.45 3cgi s ILE 46 Ca 0.76 -1.48 0.04 0.00 -0.26 0.00 0.00 60.65 59.71 3cgi s ILE 46 Cb -0.29 -1.52 -0.01 0.00 1.25 0.00 0.00 42.46 41.88 3cgi s ILE 46 CO 0.35 -0.03 -0.19 -0.83 0.24 0.00 0.00 174.94 174.48 3cgi s GLY 47 N -1.79 1.43 -0.12 6.27 0.00 -0.47 -1.23 107.32 111.41 3cgi s GLY 47 Ca 0.06 -0.98 0.01 0.00 0.00 0.00 0.00 44.72 43.82 3cgi s GLY 47 CO 0.04 -0.53 -0.15 -0.42 0.00 0.00 0.00 173.10 172.04 3cgi s ILE 48 N -0.13 1.53 -0.03 0.90 1.01 0.02 -0.36 121.20 124.15 3cgi s ILE 48 Ca -0.03 -0.65 0.07 0.00 0.00 0.00 0.00 60.65 60.04 3cgi s ILE 48 Cb -0.14 -1.41 -0.02 0.00 0.01 0.00 0.00 42.46 40.90 3cgi s ILE 48 CO 0.04 0.45 -0.24 -0.76 0.00 0.00 0.00 174.94 174.42 3cgi s LEU 49 N 1.12 2.14 -0.18 2.97 1.43 -0.35 -0.94 118.68 124.87 3cgi s LEU 49 Ca -0.03 -0.44 -0.00 0.00 -1.03 0.00 0.00 54.13 52.62 3cgi s LEU 49 Cb -0.14 -1.37 0.01 0.00 0.03 0.00 0.00 46.19 44.71 3cgi s LEU 49 CO -0.04 0.32 -0.16 -0.89 0.23 0.00 0.00 176.35 175.81 3cgi s THR 50 N -0.58 2.45 -0.03 5.49 2.01 -0.73 -2.53 115.64 121.73 3cgi s THR 50 Ca 0.09 -0.81 0.01 0.00 0.31 0.00 0.00 61.69 61.29 3cgi s THR 50 Cb -0.10 -2.05 0.01 0.00 0.01 0.00 0.00 72.50 70.37 3cgi s THR 50 CO -0.00 0.51 -0.05 -0.63 -0.69 0.00 0.00 174.62 173.75 3cgi s ILE 51 N 1.25 0.53 -0.03 1.82 1.01 -1.14 -0.60 121.20 124.03 3cgi s ILE 51 Ca 0.03 -0.17 0.05 0.00 0.00 0.00 0.00 60.65 60.56 3cgi s ILE 51 Cb -0.14 -0.53 -0.01 0.00 0.01 0.00 0.00 42.46 41.80 3cgi s ILE 51 CO -0.08 0.20 -0.20 -0.89 0.00 0.00 0.00 174.94 173.97 3cgi s THR 52 N 0.58 1.58 0.78 2.92 2.01 -0.34 -3.96 115.64 119.22 3cgi s THR 52 Ca -0.08 -0.83 -0.11 0.00 0.31 0.00 0.00 61.69 60.99 3cgi s THR 52 Cb -0.11 -1.34 0.06 0.00 0.01 0.00 0.00 72.50 71.12 3cgi s THR 52 CO 0.00 0.45 1.09 -2.16 -0.69 0.00 0.00 174.62 173.31 3cgi s PRO 53 N -0.21 2.18 0.40 4.92 0.04 -1.02 -0.87 135.00 140.44 3cgi s PRO 53 Ca 0.01 1.00 0.10 0.00 0.04 0.00 0.00 61.00 62.16 3cgi s PRO 53 Cb -0.10 -1.90 0.89 0.00 0.04 0.00 0.00 34.50 33.43 3cgi s PRO 53 CO 0.01 -1.65 1.95 0.66 0.04 0.00 0.00 177.00 178.02 3cgi h SER 54 N -1.12 0.52 0.29 6.66 4.64 -1.83 -2.20 113.55 120.50 3cgi h SER 54 Ca -0.45 0.01 -0.03 0.00 -0.47 0.00 0.00 61.79 60.85 3cgi h SER 54 Cb 1.24 -0.10 -0.00 0.00 -0.31 0.00 0.00 62.40 63.23 3cgi h SER 54 CO 0.54 0.31 -0.16 -0.33 -0.87 0.00 0.00 176.83 176.32 3cgi h GLU 55 N 0.58 0.00 0.00 4.77 3.07 -1.90 -2.43 114.58 118.66 3cgi h GLU 55 Ca 0.32 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.18 3cgi h GLU 55 Cb 0.48 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.39 3cgi h GLU 55 CO -0.11 0.16 0.00 0.00 -1.40 0.00 0.00 179.01 177.66 3cgi n ALA 56 N -2.38 1.09 -0.01 3.43 0.00 -0.83 -1.47 120.51 120.35 3cgi n ALA 56 Ca -0.02 0.08 0.11 0.00 0.00 0.00 0.00 53.44 53.60 3cgi n ALA 56 Cb 0.25 -1.15 0.52 0.00 0.00 0.00 0.00 19.45 19.07 3cgi n ALA 56 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3cgi h SER 57 N 0.00 0.30 -0.65 0.00 4.64 -1.62 -1.57 113.55 114.65 3cgi h SER 57 Ca 0.00 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.24 3cgi h SER 57 Cb 0.03 -0.06 -0.03 0.00 -0.31 0.00 0.00 62.40 62.03 3cgi h SER 57 CO 0.00 0.19 0.08 0.40 -0.87 0.00 0.00 176.83 176.63 3cgi h ILE 58 N 0.34 1.26 -0.21 0.95 2.04 -1.49 -1.21 117.51 119.20 3cgi h ILE 58 Ca 0.21 -1.07 -0.19 0.00 1.00 0.00 0.00 64.86 64.81 3cgi h ILE 58 Cb 0.38 0.67 0.00 0.00 -0.74 0.00 0.00 36.82 37.14 3cgi h ILE 58 CO -0.05 0.40 -0.59 0.40 0.00 0.00 0.00 178.15 178.31 3cgi h ILE 59 N 1.02 1.29 -0.59 -0.67 2.04 -1.62 -2.42 117.51 116.58 3cgi h ILE 59 Ca 0.20 -1.80 -0.05 0.00 1.00 0.00 0.00 64.86 64.21 3cgi h ILE 59 Cb 0.48 1.85 -0.03 0.00 -0.74 0.00 0.00 36.82 38.38 3cgi h ILE 59 CO 0.02 0.57 0.17 0.00 0.00 0.00 0.00 178.15 178.91 3cgi h ALA 60 N 0.60 1.20 -0.25 1.87 0.00 -1.15 -0.73 119.26 120.80 3cgi h ALA 60 Ca -0.01 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.68 3cgi h ALA 60 Cb 1.21 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 3cgi h ALA 60 CO 0.13 0.56 0.07 0.00 0.00 0.00 0.00 179.25 180.01 3cgi h ASP 62 N 0.23 -0.12 -0.69 0.00 3.58 -1.14 -0.67 116.42 117.61 3cgi h ASP 62 Ca 0.08 -0.02 0.08 0.00 0.42 0.00 0.00 57.03 57.59 3cgi h ASP 62 Cb 0.25 0.03 -0.07 0.00 1.72 0.00 0.00 39.33 41.26 3cgi h ASP 62 CO -0.00 -0.06 0.36 0.40 -2.88 0.00 0.00 179.24 177.06 3cgi h ILE 63 N -0.16 0.89 0.07 2.25 2.04 -1.10 -1.74 117.51 119.75 3cgi h ILE 63 Ca -0.01 -0.22 -0.00 0.00 1.00 0.00 0.00 64.86 65.63 3cgi h ILE 63 Cb 0.13 0.21 0.00 0.00 -0.74 0.00 0.00 36.82 36.42 3cgi h ILE 63 CO 0.02 0.11 -0.03 0.00 0.00 0.00 0.00 178.15 178.25 3cgi h ALA 64 N 1.40 -0.10 0.00 1.87 0.00 -0.81 -1.73 119.26 119.89 3cgi h ALA 64 Ca 0.33 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 55.03 3cgi h ALA 64 Cb 0.31 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 3cgi h ALA 64 CO -0.24 -0.39 -0.20 1.79 0.00 0.00 0.00 179.25 180.20 3cgi h THR 65 N -0.42 0.75 0.00 0.00 1.35 -1.10 -1.90 112.91 111.59 3cgi h THR 65 Ca -0.01 -0.84 0.00 0.00 -0.55 0.00 0.00 66.41 65.01 3cgi h THR 65 Cb 0.36 1.51 0.00 0.00 -1.73 0.00 0.00 68.15 68.30 3cgi h THR 65 CO 0.02 0.20 0.00 0.11 -0.25 0.00 0.00 175.52 175.60 3cgi h LYS 66 N 0.00 0.00 0.00 4.72 1.57 -1.08 -3.30 116.57 118.48 3cgi h LYS 66 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3cgi h LYS 66 Cb 0.50 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.81 3cgi h LYS 66 CO 0.03 0.00 0.00 0.66 -0.57 0.00 0.00 179.45 179.57 3cgi h SER 67 N 0.00 0.00 0.00 0.86 4.64 -0.46 -3.49 113.55 115.10 3cgi h SER 67 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3cgi h SER 67 Cb 0.79 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.88 3cgi h SER 67 CO 0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 3cgi n GLY 68 N 0.92 -0.52 2.73 -0.77 0.00 -1.25 -4.92 105.19 101.38 3cgi n GLY 68 Ca 0.04 -0.90 -0.42 0.00 0.00 0.00 0.00 46.02 44.74 3cgi n GLY 68 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3cgi n ALA 69 N 0.00 5.83 -2.56 4.61 0.00 -1.26 -4.75 120.51 122.38 3cgi n ALA 69 Ca 0.00 -4.14 -0.29 0.00 0.00 0.00 0.00 53.44 49.01 3cgi n ALA 69 Cb 0.00 -3.07 -0.16 0.00 0.00 0.00 0.00 19.45 16.22 3cgi n ALA 69 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3cgi s VAL 70 N 0.74 1.83 0.25 0.00 1.01 -1.26 -4.40 120.40 118.56 3cgi s VAL 70 Ca 0.46 -0.97 0.09 0.00 0.00 0.00 0.00 61.98 61.56 3cgi s VAL 70 Cb 0.13 -1.53 -0.04 0.00 0.00 0.00 0.00 36.38 34.93 3cgi s VAL 70 CO -0.04 0.52 -0.01 -1.61 0.00 0.00 0.00 175.10 173.96 3cgi s GLU 71 N -0.34 2.28 -0.36 2.72 2.02 -0.18 -4.48 118.70 120.35 3cgi s GLU 71 Ca 0.03 -1.38 -0.27 0.00 0.02 0.00 0.00 54.97 53.37 3cgi s GLU 71 Cb -0.11 -2.17 0.02 0.00 0.10 0.00 0.00 34.13 31.97 3cgi s GLU 71 CO 0.01 0.38 0.98 0.42 0.02 0.00 0.00 175.26 177.07 3cgi s ILE 72 N -2.22 4.53 -0.04 -1.63 1.01 -1.26 -1.14 121.20 120.45 3cgi s ILE 72 Ca 0.30 1.34 -0.20 0.00 0.00 0.00 0.00 60.65 62.10 3cgi s ILE 72 Cb -0.07 -4.38 -0.13 0.00 0.01 0.00 0.00 42.46 37.89 3cgi s ILE 72 CO 0.19 -0.56 0.83 1.23 0.00 0.00 0.00 174.94 176.64 3cgi h GLY 73 N 10.17 -0.38 -3.66 6.18 0.00 0.39 -3.47 103.07 112.31 3cgi h GLY 73 Ca -0.22 0.14 -0.08 0.00 0.00 0.00 0.00 47.33 47.17 3cgi h GLY 73 CO 1.01 -0.14 -0.11 -0.11 0.00 0.00 0.00 176.54 177.19 3cgi s PHE 74 N -3.54 -0.24 -0.12 5.60 -0.71 -0.75 -4.92 117.98 113.29 3cgi s PHE 74 Ca -0.11 0.15 0.02 0.00 -1.04 0.00 0.00 56.93 55.95 3cgi s PHE 74 Cb 0.01 0.21 -0.00 0.00 -1.21 0.00 0.00 43.02 42.02 3cgi s PHE 74 CO 0.40 -0.58 -0.18 -1.17 -1.34 0.00 0.00 175.22 172.35 3cgi s LEU 75 N -2.12 2.39 -0.45 -1.99 2.96 -1.26 -1.58 118.68 116.62 3cgi s LEU 75 Ca -0.04 -0.46 0.04 0.00 -0.22 0.00 0.00 54.13 53.45 3cgi s LEU 75 Cb -0.00 -1.51 0.12 0.00 0.50 0.00 0.00 46.19 45.29 3cgi s LEU 75 CO -0.04 0.14 0.18 -0.62 -1.32 0.00 0.00 176.35 174.69 3cgi s ASP 76 N 0.47 4.48 0.00 3.68 -1.08 0.74 -4.96 116.67 119.99 3cgi s ASP 76 Ca -0.13 -2.66 0.15 0.00 -0.52 0.00 0.00 52.55 49.39 3cgi s ASP 76 Cb -0.17 -1.62 0.68 0.00 -1.46 0.00 0.00 42.92 40.35 3cgi s ASP 76 CO 0.05 -0.29 1.45 -2.11 0.52 0.00 0.00 175.17 174.80 3cgi n ARG 77 N 3.57 0.08 0.04 4.34 1.85 -1.26 -0.16 116.66 125.13 3cgi n ARG 77 Ca 0.05 0.21 -0.20 0.00 -1.00 0.00 0.00 57.85 56.90 3cgi n ARG 77 Cb 0.36 -1.50 -0.14 0.00 -1.05 0.00 0.00 32.46 30.13 3cgi n ARG 77 CO 0.00 0.00 0.00 0.74 -0.01 0.00 0.00 177.63 178.36 3cgi h PHE 78 N 0.00 0.55 0.00 2.89 -1.00 -1.93 -3.34 116.94 114.11 3cgi h PHE 78 Ca 0.00 -0.40 0.00 0.00 2.81 0.00 0.00 57.97 60.38 3cgi h PHE 78 Cb 0.21 -0.02 0.00 0.00 3.61 0.00 0.00 35.95 39.75 3cgi h PHE 78 CO 0.00 1.61 -1.44 0.25 -1.61 0.00 0.00 178.31 177.13 3cgi n THR 79 N -3.49 0.00 -0.41 -1.55 -2.24 -1.16 -4.81 114.28 100.62 3cgi n THR 79 Ca -0.25 -0.30 0.00 0.00 -2.27 0.00 0.00 64.05 61.23 3cgi n THR 79 Cb 1.06 0.39 0.00 0.00 -2.10 0.00 0.00 70.33 69.68 3cgi n THR 79 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3cgi n GLY 80 N 1.52 0.74 3.75 3.38 0.00 0.78 -4.68 105.19 110.68 3cgi n GLY 80 Ca -0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.61 3cgi n GLY 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3cgi s ALA 81 N -2.52 3.35 -0.04 4.61 0.00 -1.12 -2.91 121.76 123.14 3cgi s ALA 81 Ca 0.00 0.69 0.01 0.00 0.00 0.00 0.00 51.96 52.66 3cgi s ALA 81 Cb 0.00 -3.24 0.02 0.00 0.00 0.00 0.00 23.12 19.90 3cgi s ALA 81 CO 0.00 0.11 -0.04 0.08 0.00 0.00 0.00 175.76 175.91 3cgi s VAL 82 N -1.20 0.46 -0.19 0.00 1.01 -1.05 -0.19 120.40 119.25 3cgi s VAL 82 Ca 0.42 -0.08 -0.03 0.00 0.00 0.00 0.00 61.98 62.30 3cgi s VAL 82 Cb -0.27 -0.51 -0.01 0.00 0.00 0.00 0.00 36.38 35.59 3cgi s VAL 82 CO 0.34 0.21 -0.08 -0.69 0.00 0.00 0.00 175.10 174.88 3cgi s VAL 83 N 0.94 3.20 0.06 2.92 1.01 -0.62 -1.21 120.40 126.71 3cgi s VAL 83 Ca -0.11 -0.57 -0.00 0.00 0.00 0.00 0.00 61.98 61.30 3cgi s VAL 83 Cb -0.14 -2.42 -0.04 0.00 0.00 0.00 0.00 36.38 33.78 3cgi s VAL 83 CO -0.00 0.46 0.22 -0.76 0.00 0.00 0.00 175.10 175.01 3cgi s LEU 84 N 1.14 4.36 0.10 3.92 1.43 0.51 0.10 118.68 130.24 3cgi s LEU 84 Ca 0.01 0.28 0.05 0.00 -1.03 0.00 0.00 54.13 53.45 3cgi s LEU 84 Cb -0.14 -2.96 -0.03 0.00 0.03 0.00 0.00 46.19 43.08 3cgi s LEU 84 CO -0.02 0.17 -0.13 0.42 0.23 0.00 0.00 176.35 177.02 3cgi s THR 85 N -1.51 1.17 -5.00 5.49 -4.23 -0.30 -1.36 115.64 109.90 3cgi s THR 85 Ca 0.35 -1.58 0.00 0.00 -1.18 0.00 0.00 61.69 59.28 3cgi s THR 85 Cb -0.13 -1.36 0.00 0.00 1.34 0.00 0.00 72.50 72.35 3cgi s THR 85 CO 0.28 -0.40 0.00 0.61 -0.54 0.00 0.00 174.62 174.57 3cgi n GLY 86 N 0.75 -0.45 3.70 3.99 0.00 -1.16 -1.01 105.19 111.01 3cgi n GLY 86 Ca -0.17 -1.48 -0.43 0.00 0.00 0.00 0.00 46.02 43.94 3cgi n GLY 86 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3cgi n ASP 87 N 2.76 2.94 -0.31 1.61 2.03 -1.26 -3.35 116.55 120.97 3cgi n ASP 87 Ca 0.00 1.18 0.06 0.00 0.52 0.00 0.00 54.79 56.54 3cgi n ASP 87 Cb 0.00 -1.48 0.21 0.00 -0.72 0.00 0.00 41.12 39.13 3cgi n ASP 87 CO 0.00 0.00 0.00 1.62 -1.92 0.00 0.00 177.20 176.90 3cgi h VAL 88 N 2.86 0.83 -0.08 5.18 3.04 -1.91 0.10 116.25 126.27 3cgi h VAL 88 Ca -0.46 -0.26 -0.17 0.00 -1.01 0.00 0.00 66.70 64.81 3cgi h VAL 88 Cb 1.27 0.01 -0.01 0.00 -2.01 0.00 0.00 31.29 30.55 3cgi h VAL 88 CO 0.70 0.14 -0.67 0.28 -1.01 0.00 0.00 177.57 177.00 3cgi h SER 89 N 0.75 0.38 -0.51 3.17 0.02 -1.99 -1.38 113.55 113.99 3cgi h SER 89 Ca 0.45 -0.23 -0.08 0.00 -0.84 0.00 0.00 61.79 61.09 3cgi h SER 89 Cb 0.53 -0.11 -0.02 0.00 0.14 0.00 0.00 62.40 62.94 3cgi h SER 89 CO -0.30 0.94 0.01 0.00 -1.14 0.00 0.00 176.83 176.34 3cgi h ALA 90 N 1.06 0.68 -0.48 3.77 0.00 -1.67 -1.27 119.26 121.35 3cgi h ALA 90 Ca -0.02 -0.28 -0.04 0.00 0.00 0.00 0.00 54.91 54.57 3cgi h ALA 90 Cb 1.22 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.80 3cgi h ALA 90 CO 0.11 0.48 0.13 0.28 0.00 0.00 0.00 179.25 180.25 3cgi h VAL 91 N 0.75 1.23 -0.48 0.00 2.07 -0.93 0.41 116.25 119.31 3cgi h VAL 91 Ca 0.14 -0.80 0.04 0.00 0.82 0.00 0.00 66.70 66.90 3cgi h VAL 91 Cb 0.51 0.85 -0.04 0.00 -1.52 0.00 0.00 31.29 31.09 3cgi h VAL 91 CO 0.02 0.29 0.24 -0.08 0.02 0.00 0.00 177.57 178.07 3cgi h GLU 92 N 0.64 0.47 -0.04 1.57 4.81 -1.13 0.12 114.58 121.02 3cgi h GLU 92 Ca 0.15 -0.03 0.01 0.00 -0.13 0.00 0.00 59.36 59.36 3cgi h GLU 92 Cb 0.31 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.57 3cgi h GLU 92 CO -0.00 0.31 -0.00 -0.92 -0.73 0.00 0.00 179.01 177.66 3cgi h TYR 93 N 0.48 -0.01 -0.44 0.92 3.20 -0.91 -1.73 116.97 118.48 3cgi h TYR 93 Ca 0.21 0.00 0.09 0.00 3.14 0.00 0.00 58.73 62.17 3cgi h TYR 93 Cb 0.11 0.01 -0.09 0.00 1.54 0.00 0.00 36.73 38.30 3cgi h TYR 93 CO -0.10 -0.01 -0.12 0.00 -1.64 0.00 0.00 178.16 176.29 3cgi h ALA 94 N 1.03 0.28 -0.89 1.82 0.00 -0.51 -1.37 119.26 119.62 3cgi h ALA 94 Ca 0.02 0.17 0.03 0.00 0.00 0.00 0.00 54.91 55.13 3cgi h ALA 94 Cb 0.02 0.35 -0.05 0.00 0.00 0.00 0.00 17.79 18.11 3cgi h ALA 94 CO -0.03 -0.46 0.59 -0.07 0.00 0.00 0.00 179.25 179.28 3cgi h LEU 95 N -0.01 0.96 -0.73 0.00 3.38 -0.74 -0.51 115.31 117.66 3cgi h LEU 95 Ca 0.21 -0.01 -0.11 0.00 0.09 0.00 0.00 57.88 58.06 3cgi h LEU 95 Cb 0.34 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 3cgi h LEU 95 CO -0.46 0.66 -0.23 0.11 0.09 0.00 0.00 178.44 178.62 3cgi h LYS 96 N 1.12 0.73 -0.36 1.13 1.57 -0.79 -1.94 116.57 118.03 3cgi h LYS 96 Ca 0.35 -0.29 -0.14 0.00 -1.87 0.00 0.00 60.65 58.71 3cgi h LYS 96 Cb 0.01 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.28 3cgi h LYS 96 CO -0.10 0.89 -0.32 1.96 -0.57 0.00 0.00 179.45 181.31 3cgi h GLN 97 N 0.64 0.80 0.44 3.15 1.08 -0.47 -0.41 115.11 120.33 3cgi h GLN 97 Ca 0.09 -0.37 -0.02 0.00 -1.45 0.00 0.00 58.65 56.89 3cgi h GLN 97 Cb 0.72 -0.01 0.00 0.00 -0.05 0.00 0.00 27.48 28.15 3cgi h GLN 97 CO 0.06 1.00 -0.21 0.28 -0.95 0.00 0.00 178.83 179.01 3cgi h VAL 98 N 0.67 0.55 -0.53 -0.54 2.07 -0.95 0.09 116.25 117.61 3cgi h VAL 98 Ca 0.07 -0.26 -0.04 0.00 0.82 0.00 0.00 66.70 67.30 3cgi h VAL 98 Cb 0.86 0.67 -0.03 0.00 -1.52 0.00 0.00 31.29 31.28 3cgi h VAL 98 CO 0.08 0.05 0.18 0.71 0.02 0.00 0.00 177.57 178.61 3cgi h THR 99 N -0.75 1.20 -0.00 2.57 1.35 -1.38 -0.64 112.91 115.26 3cgi h THR 99 Ca -0.06 -0.67 -0.00 0.00 -0.55 0.00 0.00 66.41 65.13 3cgi h THR 99 Cb 0.53 0.60 -0.00 0.00 -1.73 0.00 0.00 68.15 67.55 3cgi h THR 99 CO 0.10 0.26 0.00 -0.09 -0.25 0.00 0.00 175.52 175.54 3cgi h ARG 100 N 0.77 0.00 -0.08 4.72 2.43 -0.92 -1.51 114.38 119.80 3cgi h ARG 100 Ca 0.18 -0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.32 3cgi h ARG 100 Cb 0.20 -0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.74 3cgi h ARG 100 CO -0.01 0.14 -0.05 1.15 -1.51 0.00 0.00 179.97 179.68 3cgi h THR 101 N -0.13 1.35 -0.32 0.20 2.02 -0.74 -0.39 112.91 114.90 3cgi h THR 101 Ca 0.00 -1.14 -0.03 0.00 0.77 0.00 0.00 66.41 66.02 3cgi h THR 101 Cb 0.14 1.94 -0.01 0.00 -1.74 0.00 0.00 68.15 68.47 3cgi h THR 101 CO -0.00 0.32 0.10 -0.07 0.37 0.00 0.00 175.52 176.23 3cgi h LEU 102 N -0.23 0.47 0.41 2.58 3.38 -1.17 -1.40 115.31 119.35 3cgi h LEU 102 Ca 0.01 -0.21 -0.02 0.00 0.09 0.00 0.00 57.88 57.76 3cgi h LEU 102 Cb 0.53 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.16 3cgi h LEU 102 CO 0.01 0.55 -0.20 1.23 0.09 0.00 0.00 178.44 180.13 3cgi h GLY 103 N 0.36 -0.58 1.25 0.83 0.00 -1.30 -1.51 103.07 102.13 3cgi h GLY 103 Ca 0.10 0.21 -0.26 0.00 0.00 0.00 0.00 47.33 47.38 3cgi h GLY 103 CO -0.00 -0.21 -1.03 0.83 0.00 0.00 0.00 176.54 176.13 3cgi h GLU 104 N -0.95 0.67 0.00 4.80 5.08 -1.12 -2.19 114.58 120.87 3cgi h GLU 104 Ca -0.06 -0.72 -0.05 0.00 -1.00 0.00 0.00 59.36 57.53 3cgi h GLU 104 Cb 0.55 0.20 -0.01 0.00 0.50 0.00 0.00 28.75 30.00 3cgi h GLU 104 CO 0.09 1.30 -1.90 -1.33 -1.00 0.00 0.00 179.01 176.18 3cgi n MET 105 N -3.84 0.66 0.00 2.33 2.81 -0.54 -4.50 117.12 114.03 3cgi n MET 105 Ca -0.10 -0.12 0.00 0.00 -1.81 0.00 0.00 57.70 55.67 3cgi n MET 105 Cb 0.88 -1.57 0.00 0.00 -0.71 0.00 0.00 33.22 31.82 3cgi n MET 105 CO 0.00 0.00 0.00 -1.33 1.51 0.00 0.00 175.97 176.15 3cgi n MET 106 N -2.40 2.09 -3.32 0.03 2.81 -0.64 -5.02 117.12 110.67 3cgi n MET 106 Ca -0.07 -1.26 -0.24 0.00 -1.81 0.00 0.00 57.70 54.32 3cgi n MET 106 Cb 0.65 -0.98 0.04 0.00 -0.71 0.00 0.00 33.22 32.22 3cgi n MET 106 CO 0.00 0.00 0.00 1.04 1.51 0.00 0.00 175.97 178.52 3cgi n GLN 107 N -0.38 -5.45 -2.85 0.03 1.13 -0.78 -4.90 117.38 104.17 3cgi n GLN 107 Ca 0.00 0.78 -0.34 0.00 -1.94 0.00 0.00 57.00 55.51 3cgi n GLN 107 Cb 0.21 -5.67 -0.07 0.00 0.11 0.00 0.00 30.24 24.81 3cgi n GLN 107 CO 0.00 0.00 0.00 -0.06 -1.44 0.00 0.00 177.06 175.56 3cgi s PHE 108 N -3.19 3.38 0.19 1.08 0.40 -0.80 -4.93 117.98 114.11 3cgi s PHE 108 Ca 0.43 1.60 -0.30 0.00 -0.60 0.00 0.00 56.93 58.06 3cgi s PHE 108 Cb -0.20 -2.83 -0.08 0.00 0.51 0.00 0.00 43.02 40.42 3cgi s PHE 108 CO 0.53 -0.03 1.23 0.99 0.70 0.00 0.00 175.22 178.64 3cgi s THR 109 N -2.06 3.48 0.07 0.64 2.01 -0.33 -4.23 115.64 115.22 3cgi s THR 109 Ca 0.59 1.23 0.06 0.00 0.31 0.00 0.00 61.69 63.88 3cgi s THR 109 Cb -0.11 -3.79 -0.03 0.00 0.01 0.00 0.00 72.50 68.59 3cgi s THR 109 CO 0.15 0.19 -0.16 0.42 -0.69 0.00 0.00 174.62 174.53 3cgi s THR 110 N 0.02 1.30 0.60 -0.82 -4.23 -1.26 -0.49 115.64 110.76 3cgi s THR 110 Ca 0.54 -1.27 -0.03 0.00 -1.18 0.00 0.00 61.69 59.75 3cgi s THR 110 Cb -0.34 -1.20 0.03 0.00 1.34 0.00 0.00 72.50 72.34 3cgi s THR 110 CO 0.37 -0.08 0.87 0.00 -0.54 0.00 0.00 174.62 175.23 3cgi s SER 112 N -4.41 5.78 0.08 0.00 0.01 -1.26 -4.93 113.70 108.98 3cgi s SER 112 Ca 0.56 1.43 -0.30 0.00 1.31 0.00 0.00 55.95 58.95 3cgi s SER 112 Cb -0.10 -2.38 -0.06 0.00 0.21 0.00 0.00 66.02 63.69 3cgi s SER 112 CO 0.42 -1.16 1.13 -0.63 0.41 0.00 0.00 173.24 173.41 3cgi s ILE 113 N -3.16 4.14 0.23 1.44 -1.09 -1.26 -4.50 121.20 116.99 3cgi s ILE 113 Ca 0.57 1.62 0.11 0.00 -2.23 0.00 0.00 60.65 60.71 3cgi s ILE 113 Cb -0.12 -4.03 -0.05 0.00 -1.58 0.00 0.00 42.46 36.68 3cgi s ILE 113 CO 0.54 0.17 -0.22 0.42 -1.23 0.00 0.00 174.94 174.62 3cgi s THR 114 N 0.68 2.34 0.03 2.92 -4.23 -0.73 -5.03 115.64 111.63 3cgi s THR 114 Ca 0.55 -2.18 -0.00 0.00 -1.18 0.00 0.00 61.69 58.88 3cgi s THR 114 Cb -0.28 -2.17 -0.03 0.00 1.34 0.00 0.00 72.50 71.37 3cgi s THR 114 CO 0.31 -0.26 -0.03 -0.13 -0.54 0.00 0.00 174.62 173.97 3cgi s ARG 115 N -3.04 0.39 -0.34 3.99 0.52 -1.26 -0.39 118.95 118.82 3cgi s ARG 115 Ca 0.24 -0.78 0.02 0.00 -0.52 0.00 0.00 55.73 54.69 3cgi s ARG 115 Cb -0.06 0.14 0.10 0.00 0.52 0.00 0.00 34.95 35.65 3cgi s ARG 115 CO 0.12 -0.07 0.09 0.99 0.02 0.00 0.00 175.30 176.45 3cgi s THR 116 N -2.14 1.60 -0.13 0.02 2.01 0.20 -4.92 115.64 112.29 3cgi s THR 116 Ca -0.10 -1.96 0.17 0.00 0.31 0.00 0.00 61.69 60.12 3cgi s THR 116 Cb -0.05 -2.19 -0.23 0.00 0.01 0.00 0.00 72.50 70.04 3cgi s THR 116 CO -0.03 -0.66 0.44 0.18 -0.69 0.00 0.00 174.62 173.85 3cgi n LEU 117 N 4.45 0.38 0.00 4.42 4.77 -1.26 -1.79 117.00 127.97 3cgi n LEU 117 Ca 0.02 0.17 0.12 0.00 -0.03 0.00 0.00 56.01 56.29 3cgi n LEU 117 Cb 0.41 0.25 0.72 0.00 -2.33 0.00 0.00 43.42 42.48 3cgi n LEU 117 CO 0.18 0.31 0.90 -0.62 -1.33 0.00 0.00 177.39 176.83