#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 4.64 -0.01 8.00 1.11 -1.26 -5.04 116.67 124.11 3cgi s ASP 8 Ca 0.00 2.40 0.02 0.00 0.18 0.00 0.00 52.55 55.15 3cgi s ASP 8 Cb 0.00 -2.60 -0.00 0.00 1.07 0.00 0.00 42.92 41.39 3cgi s ASP 8 CO 0.00 -1.97 -0.07 -0.60 1.18 0.00 0.00 175.17 173.72 3cgi s ARG 9 N -3.64 0.55 -0.05 8.23 3.52 -1.26 -5.15 118.95 121.16 3cgi s ARG 9 Ca 0.76 -0.23 -0.14 0.00 -0.13 0.00 0.00 55.73 55.99 3cgi s ARG 9 Cb -0.31 -0.54 0.03 0.00 -1.56 0.00 0.00 34.95 32.57 3cgi s ARG 9 CO 0.40 0.13 0.32 1.41 -0.81 0.00 0.00 175.30 176.76 3cgi s MET 10 N -0.11 0.60 -0.04 5.12 1.75 -1.26 -5.13 119.30 120.22 3cgi s MET 10 Ca 0.02 -0.00 -0.21 0.00 -1.25 0.00 0.00 55.69 54.25 3cgi s MET 10 Cb -0.03 0.27 -0.05 0.00 2.84 0.00 0.00 34.83 37.86 3cgi s MET 10 CO -0.00 -0.15 0.61 0.42 -0.65 0.00 0.00 175.02 175.26 3cgi s ILE 11 N -0.90 4.99 -0.21 10.11 1.01 -1.26 -5.06 121.20 129.88 3cgi s ILE 11 Ca -0.10 1.27 0.02 0.00 0.00 0.00 0.00 60.65 61.84 3cgi s ILE 11 Cb -0.04 -3.95 0.04 0.00 0.01 0.00 0.00 42.46 38.51 3cgi s ILE 11 CO 0.03 0.35 -0.15 0.00 0.00 0.00 0.00 174.94 175.18 3cgi s GLN 12 N 0.24 2.54 -0.22 2.79 1.03 -1.26 -5.08 119.66 119.69 3cgi s GLN 12 Ca 0.32 -1.03 -0.23 0.00 0.04 0.00 0.00 55.36 54.46 3cgi s GLN 12 Cb -0.18 -2.67 -0.01 0.00 0.03 0.00 0.00 33.01 30.18 3cgi s GLN 12 CO 0.17 -0.38 0.74 -1.21 -2.54 0.00 0.00 175.29 172.06 3cgi s GLU 13 N 1.23 4.19 0.02 9.60 2.02 -1.26 -5.03 118.70 129.47 3cgi s GLU 13 Ca -0.01 0.79 -0.17 0.00 0.02 0.00 0.00 54.97 55.60 3cgi s GLU 13 Cb -0.16 -3.62 -0.06 0.00 0.10 0.00 0.00 34.13 30.39 3cgi s GLU 13 CO -0.09 -0.39 0.47 1.52 0.02 0.00 0.00 175.26 176.79 3cgi s TYR 14 N 2.42 3.74 0.01 1.61 1.13 -1.26 -5.07 117.35 119.93 3cgi s TYR 14 Ca 0.32 1.09 -0.06 0.00 -1.41 0.00 0.00 57.07 57.01 3cgi s TYR 14 Cb -0.16 -2.38 -0.00 0.00 -1.10 0.00 0.00 41.96 38.32 3cgi s TYR 14 CO 0.09 0.59 0.11 0.14 -2.51 0.00 0.00 175.55 173.98 3cgi s VAL 15 N -0.97 0.09 0.40 -3.49 -7.23 -1.26 -5.15 120.40 102.79 3cgi s VAL 15 Ca 0.26 -0.73 -0.25 0.00 -1.81 0.00 0.00 61.98 59.44 3cgi s VAL 15 Cb -0.18 -0.41 -0.08 0.00 0.56 0.00 0.00 36.38 36.27 3cgi s VAL 15 CO 0.15 -0.40 1.18 -2.16 -0.31 0.00 0.00 175.10 173.56 3cgi s PRO 16 N -1.41 4.03 1.00 4.82 0.04 -1.26 -5.04 135.00 137.18 3cgi s PRO 16 Ca -0.15 1.87 -0.17 0.00 0.04 0.00 0.00 61.00 62.60 3cgi s PRO 16 Cb -0.08 -2.68 0.21 0.00 0.04 0.00 0.00 34.50 32.00 3cgi s PRO 16 CO 0.01 -0.35 1.29 0.20 0.04 0.00 0.00 177.00 178.19 3cgi s GLY 17 N -1.10 1.75 -0.29 0.56 0.00 -1.26 -4.90 107.32 102.08 3cgi s GLY 17 Ca 0.57 -1.15 0.03 0.00 0.00 0.00 0.00 44.72 44.17 3cgi s GLY 17 CO 0.39 -0.37 -0.04 0.54 0.00 0.00 0.00 173.10 173.63 3cgi s LYS 18 N -5.81 1.87 -0.26 2.90 1.02 -1.26 -2.49 119.74 115.72 3cgi s LYS 18 Ca 0.73 -1.56 -0.21 0.00 0.02 0.00 0.00 55.97 54.95 3cgi s LYS 18 Cb -0.05 -3.00 0.07 0.00 -0.52 0.00 0.00 37.83 34.33 3cgi s LYS 18 CO 0.53 -0.73 0.68 -1.14 -0.92 0.00 0.00 175.35 173.77 3cgi s GLN 19 N 1.03 0.76 -0.44 1.68 0.74 0.21 -1.86 119.66 121.79 3cgi s GLN 19 Ca -0.00 1.01 -0.16 0.00 0.05 0.00 0.00 55.36 56.26 3cgi s GLN 19 Cb -0.19 0.31 0.04 0.00 1.10 0.00 0.00 33.01 34.27 3cgi s GLN 19 CO -0.07 -0.11 0.39 0.08 -0.55 0.00 0.00 175.29 175.03 3cgi s VAL 20 N 0.72 5.18 -0.01 1.34 1.01 0.11 -1.12 120.40 127.62 3cgi s VAL 20 Ca -0.03 -0.68 0.05 0.00 0.00 0.00 0.00 61.98 61.33 3cgi s VAL 20 Cb -0.05 -4.04 -0.24 0.00 0.00 0.00 0.00 36.38 32.04 3cgi s VAL 20 CO -0.05 -0.46 0.78 0.74 0.00 0.00 0.00 175.10 176.11 3cgi h THR 21 N 5.71 1.04 -3.97 3.92 2.02 -1.21 -2.29 112.91 118.13 3cgi h THR 21 Ca -0.27 -2.80 -0.43 0.00 0.77 0.00 0.00 66.41 63.68 3cgi h THR 21 Cb 1.11 2.59 -0.30 0.00 -1.74 0.00 0.00 68.15 69.81 3cgi h THR 21 CO 0.81 0.70 -0.79 -0.22 0.37 0.00 0.00 175.52 176.39 3cgi s LEU 22 N -6.53 1.92 -0.38 2.58 2.96 -1.22 -4.74 118.68 113.27 3cgi s LEU 22 Ca -0.07 -0.20 0.03 0.00 -0.22 0.00 0.00 54.13 53.68 3cgi s LEU 22 Cb 0.08 -0.57 0.16 0.00 0.50 0.00 0.00 46.19 46.36 3cgi s LEU 22 CO 0.82 0.11 0.38 0.00 -1.32 0.00 0.00 176.35 176.34 3cgi s ALA 23 N -0.06 -0.33 -0.05 5.97 0.00 -1.23 -2.12 121.76 123.94 3cgi s ALA 23 Ca 0.01 -1.10 0.03 0.00 0.00 0.00 0.00 51.96 50.91 3cgi s ALA 23 Cb -0.06 -2.04 0.00 0.00 0.00 0.00 0.00 23.12 21.02 3cgi s ALA 23 CO 0.00 -2.15 -0.16 -1.58 0.00 0.00 0.00 175.76 171.88 3cgi s HIS 24 N 1.30 1.65 -0.19 0.00 5.04 -0.01 -1.62 115.29 121.46 3cgi s HIS 24 Ca 0.18 -0.53 -0.08 0.00 -1.54 0.00 0.00 55.06 53.09 3cgi s HIS 24 Cb -0.14 -1.14 -0.04 0.00 0.04 0.00 0.00 32.58 31.30 3cgi s HIS 24 CO -0.03 -0.22 0.07 -1.17 -2.34 0.00 0.00 174.74 171.05 3cgi s LEU 25 N 0.27 3.83 -0.26 8.88 2.96 0.16 -1.00 118.68 133.52 3cgi s LEU 25 Ca -0.09 0.07 0.02 0.00 -0.22 0.00 0.00 54.13 53.92 3cgi s LEU 25 Cb -0.13 -1.98 0.05 0.00 0.50 0.00 0.00 46.19 44.64 3cgi s LEU 25 CO 0.03 0.16 -0.09 -0.63 -1.32 0.00 0.00 176.35 174.50 3cgi s ILE 26 N 0.48 2.36 0.13 6.68 1.01 -0.39 0.56 121.20 132.04 3cgi s ILE 26 Ca 0.04 -1.52 -0.13 0.00 0.00 0.00 0.00 60.65 59.04 3cgi s ILE 26 Cb -0.13 -2.35 -0.03 0.00 0.01 0.00 0.00 42.46 39.96 3cgi s ILE 26 CO 0.01 -0.00 1.51 0.00 0.00 0.00 0.00 174.94 176.45 3cgi h ALA 27 N 7.84 0.57 -2.27 9.38 0.00 -1.57 -1.10 119.26 132.10 3cgi h ALA 27 Ca -0.22 -0.37 -0.58 0.00 0.00 0.00 0.00 54.91 53.74 3cgi h ALA 27 Cb 1.05 -0.14 -0.39 0.00 0.00 0.00 0.00 17.79 18.31 3cgi h ALA 27 CO 0.49 0.53 -0.94 0.09 0.00 0.00 0.00 179.25 179.42 3cgi n ASN 28 N -4.22 0.64 -4.79 0.00 4.13 -1.26 -3.32 115.26 106.44 3cgi n ASN 28 Ca -0.01 -2.71 -0.34 0.00 1.68 0.00 0.00 54.58 53.19 3cgi n ASN 28 Cb 0.43 -0.62 -0.02 0.00 -1.54 0.00 0.00 39.78 38.03 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 -0.90 3.60 0.72 3.52 0.04 -1.26 -5.01 135.00 135.71 3cgi s PRO 29 Ca 0.34 1.42 -0.12 0.00 0.04 0.00 0.00 61.00 62.68 3cgi s PRO 29 Cb 0.10 -2.06 0.03 0.00 0.04 0.00 0.00 34.50 32.61 3cgi s PRO 29 CO -0.14 -0.61 1.09 0.20 0.04 0.00 0.00 177.00 177.59 3cgi s GLY 30 N -2.00 1.85 0.26 0.56 0.00 -1.26 -4.86 107.32 101.86 3cgi s GLY 30 Ca 0.69 0.35 -0.04 0.00 0.00 0.00 0.00 44.72 45.72 3cgi s GLY 30 CO 0.24 0.70 1.83 1.70 0.00 0.00 0.00 173.10 177.57 3cgi h LYS 31 N -0.66 1.04 -0.42 2.90 3.64 -1.98 -1.72 116.57 119.38 3cgi h LYS 31 Ca -0.45 -0.17 -0.02 0.00 -1.27 0.00 0.00 60.65 58.74 3cgi h LYS 31 Cb 1.23 -0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 32.86 3cgi h LYS 31 CO 0.53 0.84 0.17 0.22 -2.27 0.00 0.00 179.45 178.94 3cgi h ASP 32 N 1.02 0.57 -0.03 4.20 3.58 -1.98 -0.22 116.42 123.57 3cgi h ASP 32 Ca 0.24 -0.16 -0.00 0.00 0.42 0.00 0.00 57.03 57.53 3cgi h ASP 32 Cb 0.18 -0.15 -0.00 0.00 1.72 0.00 0.00 39.33 41.08 3cgi h ASP 32 CO -0.02 0.58 0.01 0.25 -2.88 0.00 0.00 179.24 177.18 3cgi h LEU 33 N 0.53 0.04 -1.03 2.28 5.85 -1.92 0.39 115.31 121.45 3cgi h LEU 33 Ca 0.14 -0.13 0.09 0.00 0.84 0.00 0.00 57.88 58.82 3cgi h LEU 33 Cb 0.18 -0.01 -0.07 0.00 0.37 0.00 0.00 40.66 41.13 3cgi h LEU 33 CO -0.01 0.15 0.64 0.15 -0.34 0.00 0.00 178.44 179.03 3cgi h PHE 34 N -0.08 1.16 0.02 1.25 3.57 -1.20 -0.48 116.94 121.17 3cgi h PHE 34 Ca 0.01 0.03 -0.25 0.00 3.53 0.00 0.00 57.97 61.29 3cgi h PHE 34 Cb 0.13 -0.38 0.01 0.00 2.79 0.00 0.00 35.95 38.50 3cgi h PHE 34 CO -0.03 0.54 -1.02 0.87 -2.23 0.00 0.00 178.31 176.44 3cgi h LYS 35 N 1.08 0.52 0.00 1.11 1.57 -0.68 -2.76 116.57 117.40 3cgi h LYS 35 Ca 0.46 -0.58 -0.00 0.00 -1.87 0.00 0.00 60.65 58.66 3cgi h LYS 35 Cb 0.32 0.17 -0.00 0.00 0.08 0.00 0.00 32.23 32.80 3cgi h LYS 35 CO -0.21 1.21 -0.02 0.87 -0.57 0.00 0.00 179.45 180.73 3cgi h LYS 36 N 0.28 0.00 -0.00 3.15 1.57 0.64 -0.76 116.57 121.44 3cgi h LYS 36 Ca -0.11 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.67 3cgi h LYS 36 Cb 1.66 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.97 3cgi h LYS 36 CO 0.18 0.02 -0.12 1.28 -0.57 0.00 0.00 179.45 180.24 3cgi n LEU 37 N -3.16 0.59 -0.06 2.94 4.77 -0.27 -4.92 117.00 116.88 3cgi n LEU 37 Ca -0.01 -0.06 -0.01 0.00 -0.03 0.00 0.00 56.01 55.90 3cgi n LEU 37 Cb 0.19 -0.16 -0.00 0.00 -2.33 0.00 0.00 43.42 41.12 3cgi n LEU 37 CO 0.24 0.11 -0.01 0.61 -1.33 0.00 0.00 177.39 177.02 3cgi n GLY 38 N 1.27 0.48 3.75 -0.72 0.00 -0.29 -5.02 105.19 104.66 3cgi n GLY 38 Ca 0.15 -0.58 -0.40 0.00 0.00 0.00 0.00 46.02 45.19 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 -0.17 4.61 0.53 0.99 1.43 -1.05 -5.05 118.68 119.98 3cgi s LEU 39 Ca 0.00 2.05 0.06 0.00 -1.03 0.00 0.00 54.13 55.21 3cgi s LEU 39 Cb 0.00 -3.61 0.03 0.00 0.03 0.00 0.00 46.19 42.64 3cgi s LEU 39 CO 0.00 0.05 0.42 -1.10 0.23 0.00 0.00 176.35 175.95 3cgi s GLN 40 N -1.21 2.28 0.18 1.70 -0.21 -1.26 -4.59 119.66 116.55 3cgi s GLN 40 Ca 0.42 -1.95 0.00 0.00 0.02 0.00 0.00 55.36 53.85 3cgi s GLN 40 Cb -0.28 -2.15 0.00 0.00 1.00 0.00 0.00 33.01 31.58 3cgi s GLN 40 CO 0.35 -0.59 0.00 -3.47 -2.12 0.00 0.00 175.29 169.46 3cgi n ASP 41 N -1.77 -4.00 -4.75 5.90 2.03 -1.26 -4.87 116.55 107.83 3cgi n ASP 41 Ca 0.00 0.33 -0.38 0.00 0.52 0.00 0.00 54.79 55.27 3cgi n ASP 41 Cb 0.64 -2.08 0.03 0.00 -0.72 0.00 0.00 41.12 39.00 3cgi n ASP 41 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3cgi s ALA 42 N -1.89 2.78 0.41 -1.67 0.00 -1.26 -4.92 121.76 115.20 3cgi s ALA 42 Ca 0.00 1.23 -0.25 0.00 0.00 0.00 0.00 51.96 52.94 3cgi s ALA 42 Cb 0.00 -3.53 -0.11 0.00 0.00 0.00 0.00 23.12 19.49 3cgi s ALA 42 CO 0.00 -1.26 1.13 0.28 0.00 0.00 0.00 175.76 175.91 3cgi n VAL 43 N -1.06 2.45 -4.08 0.00 0.31 -1.26 -4.99 118.33 109.69 3cgi n VAL 43 Ca 0.11 -0.50 -0.12 0.00 -0.01 0.00 0.00 64.34 63.81 3cgi n VAL 43 Cb 0.46 -1.33 -0.06 0.00 -0.91 0.00 0.00 33.84 32.00 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 -0.62 0.42 0.63 4.52 1.04 -1.26 -5.10 113.70 113.34 3cgi s SER 44 Ca 0.62 -1.27 -0.18 0.00 0.48 0.00 0.00 55.95 55.59 3cgi s SER 44 Cb -0.55 0.58 -0.02 0.00 0.10 0.00 0.00 66.02 66.14 3cgi s SER 44 CO 0.58 -1.15 1.28 0.00 0.98 0.00 0.00 173.24 174.93 3cgi s ALA 45 N -3.62 2.42 0.07 5.32 0.00 -1.21 -4.48 121.76 120.27 3cgi s ALA 45 Ca 0.29 1.19 0.06 0.00 0.00 0.00 0.00 51.96 53.50 3cgi s ALA 45 Cb 0.01 -3.54 -0.03 0.00 0.00 0.00 0.00 23.12 19.56 3cgi s ALA 45 CO 0.15 -1.52 -0.15 0.96 0.00 0.00 0.00 175.76 175.20 3cgi s ILE 46 N -1.42 1.19 -0.08 0.00 -4.36 -0.42 -2.97 121.20 113.14 3cgi s ILE 46 Ca 0.81 -1.33 0.05 0.00 -0.26 0.00 0.00 60.65 59.92 3cgi s ILE 46 Cb -0.37 -1.13 -0.01 0.00 1.25 0.00 0.00 42.46 42.20 3cgi s ILE 46 CO 0.39 -0.20 -0.23 -0.83 0.24 0.00 0.00 174.94 174.31 3cgi s GLY 47 N -1.75 1.35 -0.16 6.27 0.00 -0.39 -1.26 107.32 111.39 3cgi s GLY 47 Ca -0.01 -1.00 0.01 0.00 0.00 0.00 0.00 44.72 43.71 3cgi s GLY 47 CO 0.02 -0.51 -0.17 -0.42 0.00 0.00 0.00 173.10 172.02 3cgi s ILE 48 N 0.00 1.78 -0.03 0.90 1.09 -0.17 -0.01 121.20 124.77 3cgi s ILE 48 Ca -0.08 -0.77 0.06 0.00 -1.10 0.00 0.00 60.65 58.76 3cgi s ILE 48 Cb -0.15 -1.64 -0.02 0.00 -1.06 0.00 0.00 42.46 39.59 3cgi s ILE 48 CO 0.05 0.49 -0.21 -0.76 -0.10 0.00 0.00 174.94 174.42 3cgi s LEU 49 N 1.36 2.38 -0.19 2.97 1.43 0.66 -0.83 118.68 126.45 3cgi s LEU 49 Ca 0.04 -0.35 0.00 0.00 -1.03 0.00 0.00 54.13 52.79 3cgi s LEU 49 Cb -0.13 -1.44 0.02 0.00 0.03 0.00 0.00 46.19 44.67 3cgi s LEU 49 CO -0.11 0.33 -0.16 -0.89 0.23 0.00 0.00 176.35 175.74 3cgi s THR 50 N -0.69 2.33 -0.04 5.49 2.01 -0.90 -1.96 115.64 121.89 3cgi s THR 50 Ca 0.11 -0.90 0.02 0.00 0.31 0.00 0.00 61.69 61.23 3cgi s THR 50 Cb -0.10 -2.02 0.01 0.00 0.01 0.00 0.00 72.50 70.40 3cgi s THR 50 CO 0.00 0.48 -0.07 -0.63 -0.69 0.00 0.00 174.62 173.71 3cgi s ILE 51 N 1.32 0.67 -0.05 1.82 1.01 -1.10 -0.71 121.20 124.15 3cgi s ILE 51 Ca 0.04 -0.24 0.06 0.00 0.00 0.00 0.00 60.65 60.51 3cgi s ILE 51 Cb -0.14 -0.64 -0.01 0.00 0.01 0.00 0.00 42.46 41.69 3cgi s ILE 51 CO -0.11 0.24 -0.22 -0.89 0.00 0.00 0.00 174.94 173.96 3cgi s THR 52 N 0.58 1.80 0.71 2.92 2.01 -0.27 -3.76 115.64 119.63 3cgi s THR 52 Ca -0.09 -0.93 -0.11 0.00 0.31 0.00 0.00 61.69 60.87 3cgi s THR 52 Cb -0.12 -1.53 0.02 0.00 0.01 0.00 0.00 72.50 70.88 3cgi s THR 52 CO 0.01 0.51 1.07 -2.16 -0.69 0.00 0.00 174.62 173.36 3cgi s PRO 53 N -0.13 2.74 0.44 4.92 0.04 -1.04 -0.62 135.00 141.36 3cgi s PRO 53 Ca -0.02 1.08 0.16 0.00 0.04 0.00 0.00 61.00 62.25 3cgi s PRO 53 Cb -0.12 -1.96 1.09 0.00 0.04 0.00 0.00 34.50 33.54 3cgi s PRO 53 CO 0.03 -1.26 1.96 0.66 0.04 0.00 0.00 177.00 178.42 3cgi h SER 54 N -0.69 0.33 0.43 6.66 4.64 -1.82 -1.45 113.55 121.64 3cgi h SER 54 Ca -0.44 0.01 -0.03 0.00 -0.47 0.00 0.00 61.79 60.86 3cgi h SER 54 Cb 1.22 -0.05 -0.00 0.00 -0.31 0.00 0.00 62.40 63.25 3cgi h SER 54 CO 0.55 0.18 -0.16 -0.33 -0.87 0.00 0.00 176.83 176.20 3cgi h GLU 55 N 0.36 0.00 0.00 4.77 3.07 -1.89 -2.33 114.58 118.56 3cgi h GLU 55 Ca 0.31 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.17 3cgi h GLU 55 Cb 0.72 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.63 3cgi h GLU 55 CO -0.08 0.16 0.00 0.00 -1.40 0.00 0.00 179.01 177.68 3cgi h ALA 56 N 1.84 1.00 -0.82 3.43 0.00 -1.61 -1.37 119.26 121.73 3cgi h ALA 56 Ca -0.00 0.00 0.21 0.00 0.00 0.00 0.00 54.91 55.12 3cgi h ALA 56 Cb 0.42 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.16 3cgi h ALA 56 CO 0.02 0.00 0.57 0.66 0.00 0.00 0.00 179.25 180.50 3cgi h SER 57 N 0.00 0.17 -0.51 0.00 4.64 -1.58 -1.46 113.55 114.82 3cgi h SER 57 Ca 0.00 0.02 -0.10 0.00 -0.47 0.00 0.00 61.79 61.24 3cgi h SER 57 Cb 0.08 -0.02 -0.02 0.00 -0.31 0.00 0.00 62.40 62.13 3cgi h SER 57 CO 0.00 0.07 -0.04 0.40 -0.87 0.00 0.00 176.83 176.39 3cgi h ILE 58 N 0.17 1.26 -0.11 0.95 2.04 -1.48 -1.48 117.51 118.87 3cgi h ILE 58 Ca 0.41 -1.16 -0.13 0.00 1.00 0.00 0.00 64.86 64.98 3cgi h ILE 58 Cb 1.33 0.89 0.00 0.00 -0.74 0.00 0.00 36.82 38.30 3cgi h ILE 58 CO -0.07 0.41 -0.43 0.40 0.00 0.00 0.00 178.15 178.46 3cgi h ILE 59 N 0.87 1.37 -0.92 -0.67 2.04 -1.53 -2.29 117.51 116.39 3cgi h ILE 59 Ca 0.15 -1.75 0.04 0.00 1.00 0.00 0.00 64.86 64.30 3cgi h ILE 59 Cb 0.57 2.16 -0.05 0.00 -0.74 0.00 0.00 36.82 38.75 3cgi h ILE 59 CO 0.03 0.52 0.60 0.00 0.00 0.00 0.00 178.15 179.31 3cgi h ALA 60 N 0.49 1.42 -0.40 1.87 0.00 -1.23 0.12 119.26 121.53 3cgi h ALA 60 Ca -0.02 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 3cgi h ALA 60 Cb 1.06 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.51 3cgi h ALA 60 CO 0.09 0.49 0.15 0.00 0.00 0.00 0.00 179.25 179.98 3cgi h ASP 62 N 0.50 0.09 -0.90 0.00 3.58 -0.79 -1.55 116.42 117.36 3cgi h ASP 62 Ca 0.13 -0.12 0.07 0.00 0.42 0.00 0.00 57.03 57.53 3cgi h ASP 62 Cb 0.20 -0.02 -0.07 0.00 1.72 0.00 0.00 39.33 41.16 3cgi h ASP 62 CO -0.01 0.18 0.56 0.40 -2.88 0.00 0.00 179.24 177.49 3cgi h ILE 63 N -0.01 1.03 0.11 2.25 2.04 -0.94 -1.99 117.51 120.00 3cgi h ILE 63 Ca 0.02 -0.34 -0.01 0.00 1.00 0.00 0.00 64.86 65.53 3cgi h ILE 63 Cb 0.12 -0.06 0.00 0.00 -0.74 0.00 0.00 36.82 36.14 3cgi h ILE 63 CO -0.00 0.18 -0.05 0.00 0.00 0.00 0.00 178.15 178.28 3cgi h ALA 64 N 1.43 -0.15 0.00 1.87 0.00 -1.00 -2.16 119.26 119.24 3cgi h ALA 64 Ca 0.40 -0.15 -0.08 0.00 0.00 0.00 0.00 54.91 55.08 3cgi h ALA 64 Cb 0.21 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 3cgi h ALA 64 CO -0.19 -0.45 -0.38 1.79 0.00 0.00 0.00 179.25 180.02 3cgi h THR 65 N -0.42 1.04 0.00 0.00 1.35 -1.23 -2.14 112.91 111.51 3cgi h THR 65 Ca -0.02 -1.41 0.00 0.00 -0.55 0.00 0.00 66.41 64.43 3cgi h THR 65 Cb 0.35 1.81 0.00 0.00 -1.73 0.00 0.00 68.15 68.58 3cgi h THR 65 CO 0.03 0.37 0.00 0.11 -0.25 0.00 0.00 175.52 175.78 3cgi h LYS 66 N 0.00 0.00 0.00 4.72 1.57 -1.34 -3.30 116.57 118.21 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 0.78 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.09 3cgi h LYS 66 CO 0.05 0.00 0.00 0.66 -0.57 0.00 0.00 179.45 179.59 3cgi h SER 67 N 0.00 0.00 0.00 0.86 4.64 -0.70 -3.49 113.55 114.87 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 0.88 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.97 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 0.85 -0.54 2.75 -0.77 0.00 -1.24 -4.90 105.19 101.32 3cgi n GLY 68 Ca 0.04 -0.79 -0.42 0.00 0.00 0.00 0.00 46.02 44.85 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 5.78 -2.49 4.61 0.00 -1.26 -4.75 120.51 122.40 3cgi n ALA 69 Ca 0.00 -4.19 -0.26 0.00 0.00 0.00 0.00 53.44 48.99 3cgi n ALA 69 Cb 0.00 -3.02 -0.16 0.00 0.00 0.00 0.00 19.45 16.27 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 0.47 1.55 0.20 0.00 1.01 -1.26 -4.34 120.40 118.03 3cgi s VAL 70 Ca 0.44 -0.83 0.08 0.00 0.00 0.00 0.00 61.98 61.68 3cgi s VAL 70 Cb 0.12 -1.29 -0.04 0.00 0.00 0.00 0.00 36.38 35.17 3cgi s VAL 70 CO -0.03 0.44 -0.03 -0.70 0.00 0.00 0.00 175.10 174.78 3cgi s GLU 71 N -0.41 2.27 -0.39 2.72 2.56 0.45 -4.41 118.70 121.49 3cgi s GLU 71 Ca 0.06 -1.24 -0.26 0.00 0.00 0.00 0.00 54.97 53.53 3cgi s GLU 71 Cb -0.08 -2.24 0.02 0.00 2.00 0.00 0.00 34.13 33.82 3cgi s GLU 71 CO -0.00 0.42 0.96 0.42 -0.56 0.00 0.00 175.26 176.50 3cgi s ILE 72 N -1.89 4.52 -0.03 -3.70 1.01 -1.26 -1.32 121.20 118.54 3cgi s ILE 72 Ca 0.28 1.20 -0.21 0.00 0.00 0.00 0.00 60.65 61.91 3cgi s ILE 72 Cb -0.08 -4.38 -0.14 0.00 0.01 0.00 0.00 42.46 37.86 3cgi s ILE 72 CO 0.18 -0.62 0.94 1.23 0.00 0.00 0.00 174.94 176.67 3cgi h GLY 73 N 10.25 -0.41 -3.31 6.18 0.00 -0.92 -3.47 103.07 111.39 3cgi h GLY 73 Ca -0.23 0.15 -0.05 0.00 0.00 0.00 0.00 47.33 47.20 3cgi h GLY 73 CO 1.01 -0.15 0.00 -0.11 0.00 0.00 0.00 176.54 177.29 3cgi s PHE 74 N -3.83 -0.33 -0.05 5.60 -0.71 -0.96 -4.93 117.98 112.76 3cgi s PHE 74 Ca -0.12 0.17 0.06 0.00 -1.04 0.00 0.00 56.93 56.00 3cgi s PHE 74 Cb 0.01 0.33 -0.01 0.00 -1.21 0.00 0.00 43.02 42.14 3cgi s PHE 74 CO 0.44 -0.69 -0.23 -1.17 -1.34 0.00 0.00 175.22 172.23 3cgi s LEU 75 N -2.45 2.03 -0.33 -1.99 2.96 -1.26 -1.44 118.68 116.19 3cgi s LEU 75 Ca -0.01 -0.47 0.01 0.00 -0.22 0.00 0.00 54.13 53.45 3cgi s LEU 75 Cb 0.00 -1.26 0.10 0.00 0.50 0.00 0.00 46.19 45.54 3cgi s LEU 75 CO -0.08 0.22 0.09 -0.62 -1.32 0.00 0.00 176.35 174.64 3cgi s ASP 76 N -0.12 4.29 0.03 3.68 -1.08 0.59 -4.97 116.67 119.10 3cgi s ASP 76 Ca -0.03 -1.93 0.19 0.00 -0.52 0.00 0.00 52.55 50.26 3cgi s ASP 76 Cb -0.13 -1.18 0.80 0.00 -1.46 0.00 0.00 42.92 40.95 3cgi s ASP 76 CO 0.03 -0.39 1.60 -2.11 0.52 0.00 0.00 175.17 174.83 3cgi n ARG 77 N 4.50 0.02 0.09 4.34 1.85 -1.26 0.12 116.66 126.32 3cgi n ARG 77 Ca 0.01 0.20 -0.23 0.00 -1.00 0.00 0.00 57.85 56.83 3cgi n ARG 77 Cb 0.41 -1.54 -0.15 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 0.77 0.00 2.89 -1.00 -1.93 -3.34 116.94 114.33 3cgi h PHE 78 Ca 0.00 -0.56 -0.04 0.00 2.81 0.00 0.00 57.97 60.17 3cgi h PHE 78 Cb 0.33 -0.03 -0.01 0.00 3.61 0.00 0.00 35.95 39.85 3cgi h PHE 78 CO 0.00 1.67 -1.94 0.25 -1.61 0.00 0.00 178.31 176.68 3cgi n THR 79 N -3.61 0.17 -0.40 -1.55 -2.24 -1.18 -4.84 114.28 100.62 3cgi n THR 79 Ca -0.24 -0.49 0.00 0.00 -2.27 0.00 0.00 64.05 61.05 3cgi n THR 79 Cb 1.08 -0.02 0.00 0.00 -2.10 0.00 0.00 70.33 69.29 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 1.46 0.75 3.75 3.38 0.00 0.32 -4.70 105.19 110.16 3cgi n GLY 80 Ca -0.07 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.54 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 -2.37 3.40 -0.05 4.61 0.00 -1.02 -2.72 121.76 123.61 3cgi s ALA 81 Ca 0.00 0.88 0.02 0.00 0.00 0.00 0.00 51.96 52.86 3cgi s ALA 81 Cb 0.00 -3.33 0.01 0.00 0.00 0.00 0.00 23.12 19.80 3cgi s ALA 81 CO 0.00 -0.17 -0.09 0.08 0.00 0.00 0.00 175.76 175.58 3cgi s VAL 82 N -0.90 0.89 -0.19 0.00 1.01 -0.83 -0.30 120.40 120.08 3cgi s VAL 82 Ca 0.46 -0.35 -0.02 0.00 0.00 0.00 0.00 61.98 62.07 3cgi s VAL 82 Cb -0.31 -0.83 -0.01 0.00 0.00 0.00 0.00 36.38 35.23 3cgi s VAL 82 CO 0.39 0.30 -0.08 -0.69 0.00 0.00 0.00 175.10 175.02 3cgi s VAL 83 N 0.67 3.17 0.12 2.92 1.01 -0.52 -0.25 120.40 127.52 3cgi s VAL 83 Ca -0.12 -0.58 0.02 0.00 0.00 0.00 0.00 61.98 61.30 3cgi s VAL 83 Cb -0.14 -2.40 -0.04 0.00 0.00 0.00 0.00 36.38 33.80 3cgi s VAL 83 CO 0.02 0.47 0.20 -0.76 0.00 0.00 0.00 175.10 175.02 3cgi s LEU 84 N 1.09 4.13 0.07 3.92 1.43 0.98 -0.25 118.68 130.05 3cgi s LEU 84 Ca 0.01 0.10 0.03 0.00 -1.03 0.00 0.00 54.13 53.24 3cgi s LEU 84 Cb -0.15 -2.74 -0.03 0.00 0.03 0.00 0.00 46.19 43.31 3cgi s LEU 84 CO -0.02 0.11 -0.10 0.42 0.23 0.00 0.00 176.35 176.99 3cgi s THR 85 N -1.62 0.82 -5.00 5.49 -4.23 -0.43 -1.26 115.64 109.41 3cgi s THR 85 Ca 0.33 -1.33 0.00 0.00 -1.18 0.00 0.00 61.69 59.51 3cgi s THR 85 Cb -0.12 -0.99 0.00 0.00 1.34 0.00 0.00 72.50 72.74 3cgi s THR 85 CO 0.26 -0.41 0.00 0.61 -0.54 0.00 0.00 174.62 174.55 3cgi n GLY 86 N 1.10 -0.45 3.67 3.99 0.00 -1.16 -0.41 105.19 111.94 3cgi n GLY 86 Ca -0.20 -1.48 -0.45 0.00 0.00 0.00 0.00 46.02 43.90 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 2.71 2.69 -0.35 1.61 2.03 -1.26 -3.45 116.55 120.52 3cgi n ASP 87 Ca 0.00 1.15 0.14 0.00 0.52 0.00 0.00 54.79 56.60 3cgi n ASP 87 Cb 0.00 -1.42 0.33 0.00 -0.72 0.00 0.00 41.12 39.31 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 2.98 0.68 -0.02 5.18 3.04 -1.91 0.87 116.25 127.07 3cgi h VAL 88 Ca -0.45 -0.25 -0.21 0.00 -1.01 0.00 0.00 66.70 64.78 3cgi h VAL 88 Cb 1.28 -0.12 -0.00 0.00 -2.01 0.00 0.00 31.29 30.44 3cgi h VAL 88 CO 0.74 0.13 -0.86 0.28 -1.01 0.00 0.00 177.57 176.85 3cgi h SER 89 N 0.73 0.44 -0.34 3.17 0.02 -1.99 -1.80 113.55 113.78 3cgi h SER 89 Ca 0.59 -0.34 -0.10 0.00 -0.84 0.00 0.00 61.79 61.10 3cgi h SER 89 Cb 0.96 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 63.35 3cgi h SER 89 CO -0.40 1.12 -0.19 0.00 -1.14 0.00 0.00 176.83 176.22 3cgi h ALA 90 N 0.86 0.48 -0.70 3.77 0.00 -1.58 -1.91 119.26 120.18 3cgi h ALA 90 Ca -0.06 -0.36 -0.01 0.00 0.00 0.00 0.00 54.91 54.48 3cgi h ALA 90 Cb 1.48 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 19.12 3cgi h ALA 90 CO 0.14 0.42 0.39 0.28 0.00 0.00 0.00 179.25 180.49 3cgi h VAL 91 N 0.51 1.22 -0.29 0.00 2.07 -0.88 -0.73 116.25 118.14 3cgi h VAL 91 Ca 0.07 -0.53 0.02 0.00 0.82 0.00 0.00 66.70 67.08 3cgi h VAL 91 Cb 0.73 0.29 -0.03 0.00 -1.52 0.00 0.00 31.29 30.76 3cgi h VAL 91 CO 0.05 0.24 0.13 -0.08 0.02 0.00 0.00 177.57 177.93 3cgi h GLU 92 N 0.96 0.27 -0.21 1.57 4.81 -1.23 -0.85 114.58 119.91 3cgi h GLU 92 Ca 0.25 -0.02 0.01 0.00 -0.13 0.00 0.00 59.36 59.47 3cgi h GLU 92 Cb 0.03 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.33 3cgi h GLU 92 CO -0.04 0.18 0.11 -0.92 -0.73 0.00 0.00 179.01 177.61 3cgi h TYR 93 N 0.28 0.21 -0.71 0.92 3.20 -1.05 -1.99 116.97 117.83 3cgi h TYR 93 Ca 0.13 0.01 0.13 0.00 3.14 0.00 0.00 58.73 62.13 3cgi h TYR 93 Cb 0.06 -0.06 -0.09 0.00 1.54 0.00 0.00 36.73 38.18 3cgi h TYR 93 CO -0.11 0.12 0.25 0.00 -1.64 0.00 0.00 178.16 176.79 3cgi h ALA 94 N 1.10 0.96 -0.64 1.82 0.00 -0.83 -0.97 119.26 120.69 3cgi h ALA 94 Ca 0.08 0.12 -0.06 0.00 0.00 0.00 0.00 54.91 55.05 3cgi h ALA 94 Cb 0.01 0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 3cgi h ALA 94 CO -0.05 -0.23 0.17 -0.07 0.00 0.00 0.00 179.25 179.07 3cgi h LEU 95 N 0.40 0.97 -1.10 0.00 3.38 -0.81 -0.70 115.31 117.44 3cgi h LEU 95 Ca 0.38 -0.23 -0.07 0.00 0.09 0.00 0.00 57.88 58.05 3cgi h LEU 95 Cb 0.57 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.05 3cgi h LEU 95 CO -0.39 0.94 -0.11 0.11 0.09 0.00 0.00 178.44 179.08 3cgi h LYS 96 N 0.94 0.50 -0.06 1.13 1.57 -0.91 -1.46 116.57 118.28 3cgi h LYS 96 Ca 0.20 -0.14 -0.22 0.00 -1.87 0.00 0.00 60.65 58.63 3cgi h LYS 96 Cb 0.35 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.61 3cgi h LYS 96 CO 0.00 0.61 -0.85 1.96 -0.57 0.00 0.00 179.45 180.60 3cgi h GLN 97 N 0.46 0.54 0.18 3.15 1.08 -0.77 0.37 115.11 120.12 3cgi h GLN 97 Ca 0.09 -0.50 -0.01 0.00 -1.45 0.00 0.00 58.65 56.78 3cgi h GLN 97 Cb 0.48 0.12 0.00 0.00 -0.05 0.00 0.00 27.48 28.03 3cgi h GLN 97 CO 0.03 1.13 -0.09 0.28 -0.95 0.00 0.00 178.83 179.23 3cgi h VAL 98 N 0.34 0.86 -0.46 -0.54 2.07 -0.92 -0.94 116.25 116.66 3cgi h VAL 98 Ca -0.06 -0.17 -0.12 0.00 0.82 0.00 0.00 66.70 67.16 3cgi h VAL 98 Cb 1.47 0.96 -0.01 0.00 -1.52 0.00 0.00 31.29 32.19 3cgi h VAL 98 CO 0.16 0.04 -0.19 0.71 0.02 0.00 0.00 177.57 178.30 3cgi h THR 99 N -0.33 1.27 -0.22 2.57 1.35 -1.28 -0.96 112.91 115.31 3cgi h THR 99 Ca -0.02 -1.34 -0.01 0.00 -0.55 0.00 0.00 66.41 64.49 3cgi h THR 99 Cb 0.25 1.12 -0.01 0.00 -1.73 0.00 0.00 68.15 67.79 3cgi h THR 99 CO 0.04 0.46 0.11 -0.09 -0.25 0.00 0.00 175.52 175.78 3cgi h ARG 100 N 0.79 0.32 -0.03 4.72 2.43 -0.91 -1.82 114.38 119.88 3cgi h ARG 100 Ca 0.11 -0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 59.22 3cgi h ARG 100 Cb 0.74 -0.06 -0.00 0.00 -0.42 0.00 0.00 29.97 30.23 3cgi h ARG 100 CO 0.06 0.33 -0.03 1.15 -1.51 0.00 0.00 179.97 179.97 3cgi h THR 101 N 0.22 1.37 -0.48 0.20 2.02 -1.08 -0.53 112.91 114.63 3cgi h THR 101 Ca 0.08 -1.15 -0.08 0.00 0.77 0.00 0.00 66.41 66.03 3cgi h THR 101 Cb 0.12 2.08 -0.02 0.00 -1.74 0.00 0.00 68.15 68.58 3cgi h THR 101 CO -0.01 0.31 -0.02 -0.07 0.37 0.00 0.00 175.52 176.10 3cgi h LEU 102 N -0.37 0.78 -0.00 2.58 3.38 -1.25 -1.54 115.31 118.88 3cgi h LEU 102 Ca 0.01 -0.20 -0.05 0.00 0.09 0.00 0.00 57.88 57.72 3cgi h LEU 102 Cb 0.51 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.06 3cgi h LEU 102 CO 0.01 0.86 -0.20 1.23 0.09 0.00 0.00 178.44 180.42 3cgi h GLY 103 N 0.98 0.16 1.20 0.83 0.00 -1.33 -1.96 103.07 102.95 3cgi h GLY 103 Ca 0.14 -0.27 -0.33 0.00 0.00 0.00 0.00 47.33 46.87 3cgi h GLY 103 CO 0.02 0.24 -1.55 0.83 0.00 0.00 0.00 176.54 176.08 3cgi h GLU 104 N -0.55 0.40 0.00 4.80 5.08 -1.16 -3.11 114.58 120.04 3cgi h GLU 104 Ca -0.02 -0.68 -0.02 0.00 -1.00 0.00 0.00 59.36 57.64 3cgi h GLU 104 Cb 0.96 0.25 -0.00 0.00 0.50 0.00 0.00 28.75 30.46 3cgi h GLU 104 CO 0.04 1.31 -1.45 -1.33 -1.00 0.00 0.00 179.01 176.58 3cgi n MET 105 N -3.60 0.63 -0.06 2.33 2.81 -0.58 -4.51 117.12 114.14 3cgi n MET 105 Ca -0.18 -0.00 0.01 0.00 -1.81 0.00 0.00 57.70 55.72 3cgi n MET 105 Cb 1.07 -1.70 0.02 0.00 -0.71 0.00 0.00 33.22 31.90 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 -2.53 1.47 -3.01 0.03 2.81 -0.87 -5.02 117.12 110.00 3cgi n MET 106 Ca -0.03 -1.24 -0.22 0.00 -1.81 0.00 0.00 57.70 54.40 3cgi n MET 106 Cb 0.59 -0.84 0.03 0.00 -0.71 0.00 0.00 33.22 32.28 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 -0.39 -4.46 -3.01 0.03 1.13 -1.02 -4.92 117.38 104.73 3cgi n GLN 107 Ca 0.02 0.86 -0.35 0.00 -1.94 0.00 0.00 57.00 55.59 3cgi n GLN 107 Cb 0.43 -5.69 -0.06 0.00 0.11 0.00 0.00 30.24 25.02 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 -3.13 3.53 0.17 1.08 0.40 -0.79 -4.92 117.98 114.32 3cgi s PHE 108 Ca 0.29 1.44 -0.30 0.00 -0.60 0.00 0.00 56.93 57.76 3cgi s PHE 108 Cb -0.13 -2.68 -0.08 0.00 0.51 0.00 0.00 43.02 40.64 3cgi s PHE 108 CO 0.36 0.18 1.24 0.99 0.70 0.00 0.00 175.22 178.68 3cgi s THR 109 N -1.77 3.49 0.09 0.64 2.01 -0.78 -4.25 115.64 115.07 3cgi s THR 109 Ca 0.50 1.22 0.07 0.00 0.31 0.00 0.00 61.69 63.80 3cgi s THR 109 Cb -0.14 -3.78 -0.03 0.00 0.01 0.00 0.00 72.50 68.56 3cgi s THR 109 CO 0.19 0.18 -0.19 0.42 -0.69 0.00 0.00 174.62 174.53 3cgi s THR 110 N 0.14 1.56 0.59 -0.82 -4.23 -1.26 0.04 115.64 111.65 3cgi s THR 110 Ca 0.55 -1.42 -0.00 0.00 -1.18 0.00 0.00 61.69 59.63 3cgi s THR 110 Cb -0.34 -1.42 0.04 0.00 1.34 0.00 0.00 72.50 72.13 3cgi s THR 110 CO 0.36 -0.05 0.83 0.00 -0.54 0.00 0.00 174.62 175.21 3cgi s SER 112 N -4.46 6.28 0.11 0.00 0.01 -1.26 -4.94 113.70 109.44 3cgi s SER 112 Ca 0.58 1.34 -0.30 0.00 1.31 0.00 0.00 55.95 58.89 3cgi s SER 112 Cb -0.10 -2.43 -0.06 0.00 0.21 0.00 0.00 66.02 63.64 3cgi s SER 112 CO 0.40 -0.78 1.02 -0.63 0.41 0.00 0.00 173.24 173.65 3cgi s ILE 113 N -3.03 4.34 0.20 1.44 -1.09 -1.26 -4.49 121.20 117.31 3cgi s ILE 113 Ca 0.54 1.91 0.11 0.00 -2.23 0.00 0.00 60.65 60.97 3cgi s ILE 113 Cb -0.11 -4.22 -0.04 0.00 -1.58 0.00 0.00 42.46 36.51 3cgi s ILE 113 CO 0.50 0.28 -0.21 0.42 -1.23 0.00 0.00 174.94 174.69 3cgi s THR 114 N 0.11 2.20 0.01 2.92 -4.23 -0.64 -5.03 115.64 110.98 3cgi s THR 114 Ca 0.49 -2.08 -0.00 0.00 -1.18 0.00 0.00 61.69 58.92 3cgi s THR 114 Cb -0.25 -2.07 -0.01 0.00 1.34 0.00 0.00 72.50 71.50 3cgi s THR 114 CO 0.31 -0.24 -0.02 -0.13 -0.54 0.00 0.00 174.62 174.00 3cgi s ARG 115 N -2.90 0.19 -0.34 3.99 0.52 -1.26 0.38 118.95 119.54 3cgi s ARG 115 Ca 0.21 -0.37 0.01 0.00 -0.52 0.00 0.00 55.73 55.06 3cgi s ARG 115 Cb -0.06 0.07 0.09 0.00 0.52 0.00 0.00 34.95 35.56 3cgi s ARG 115 CO 0.10 -0.03 0.05 0.99 0.02 0.00 0.00 175.30 176.43 3cgi s THR 116 N -0.90 2.61 -0.12 0.02 2.01 0.19 -4.92 115.64 114.53 3cgi s THR 116 Ca -0.10 -2.00 0.19 0.00 0.31 0.00 0.00 61.69 60.09 3cgi s THR 116 Cb -0.06 -2.76 -0.25 0.00 0.01 0.00 0.00 72.50 69.44 3cgi s THR 116 CO -0.01 -0.45 0.41 0.18 -0.69 0.00 0.00 174.62 174.07 3cgi n LEU 117 N 4.42 0.21 0.00 4.42 4.77 -1.26 -1.63 117.00 127.93 3cgi n LEU 117 Ca -0.03 0.09 0.16 0.00 -0.03 0.00 0.00 56.01 56.19 3cgi n LEU 117 Cb 0.42 0.21 0.92 0.00 -2.33 0.00 0.00 43.42 42.64 3cgi n LEU 117 CO 0.25 0.22 1.09 -0.62 -1.33 0.00 0.00 177.39 177.00