#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cgi n GLY 2 N 0.00 -0.53 2.88 0.00 0.00 -0.91 -4.71 105.19 101.91 1cgi n GLY 2 Ca 0.00 0.27 -0.11 0.00 0.00 0.00 0.00 46.02 46.18 1cgi n GLY 2 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1cgi s VAL 3 N -3.78 -0.58 0.15 1.61 1.01 -1.26 -1.32 120.40 116.23 1cgi s VAL 3 Ca 0.21 -0.36 -0.31 0.00 0.00 0.00 0.00 61.98 61.53 1cgi s VAL 3 Cb -0.09 -0.98 -0.08 0.00 0.00 0.00 0.00 36.38 35.24 1cgi s VAL 3 CO 0.90 -0.33 1.33 -2.84 0.00 0.00 0.00 175.10 174.16 1cgi s PRO 4 N 2.47 4.36 0.22 2.72 0.02 -1.26 -4.90 135.00 138.64 1cgi s PRO 4 Ca 0.10 2.03 -0.08 0.00 0.02 0.00 0.00 61.00 63.08 1cgi s PRO 4 Cb -0.13 -3.23 0.29 0.00 0.02 0.00 0.00 34.50 31.45 1cgi s PRO 4 CO -0.30 -0.33 1.82 0.00 -0.33 0.00 0.00 177.00 177.86 1cgi h ALA 5 N 6.14 1.01 -3.05 -1.55 0.00 -1.86 -3.35 119.26 116.59 1cgi h ALA 5 Ca -0.43 0.01 -0.61 0.00 0.00 0.00 0.00 54.91 53.88 1cgi h ALA 5 Cb 1.21 -0.15 -0.14 0.00 0.00 0.00 0.00 17.79 18.71 1cgi h ALA 5 CO 0.82 0.11 -0.43 0.42 0.00 0.00 0.00 179.25 180.17 1cgi s ILE 6 N -6.08 5.33 -0.15 0.00 1.01 -1.26 -5.06 121.20 114.99 1cgi s ILE 6 Ca -0.13 0.30 -0.23 0.00 0.00 0.00 0.00 60.65 60.59 1cgi s ILE 6 Cb 0.17 -3.55 -0.02 0.00 0.01 0.00 0.00 42.46 39.07 1cgi s ILE 6 CO 0.77 0.33 0.73 -1.10 0.00 0.00 0.00 174.94 175.67 1cgi s GLN 7 N 1.04 4.32 0.65 2.79 -1.52 -1.26 -4.34 119.66 121.34 1cgi s GLN 7 Ca 0.10 0.85 -0.15 0.00 -1.95 0.00 0.00 55.36 54.22 1cgi s GLN 7 Cb -0.14 -3.54 -0.00 0.00 -0.22 0.00 0.00 33.01 29.11 1cgi s GLN 7 CO 0.05 -0.18 1.10 -1.25 -0.25 0.00 0.00 175.29 174.76 1cgi s PRO 8 N 1.66 2.86 -0.33 2.91 0.04 -1.26 -4.91 135.00 135.97 1cgi s PRO 8 Ca 0.35 1.37 -0.01 0.00 0.04 0.00 0.00 61.00 62.75 1cgi s PRO 8 Cb -0.17 -1.96 0.11 0.00 0.04 0.00 0.00 34.50 32.52 1cgi s PRO 8 CO 0.14 -1.20 0.12 0.08 0.04 0.00 0.00 177.00 176.17 1cgi s VAL 9 N -2.36 0.88 -0.46 -0.36 1.01 -1.26 -5.08 120.40 112.76 1cgi s VAL 9 Ca 0.66 -1.53 -0.19 0.00 0.00 0.00 0.00 61.98 60.93 1cgi s VAL 9 Cb -0.20 -1.66 0.04 0.00 0.00 0.00 0.00 36.38 34.56 1cgi s VAL 9 CO 0.41 -0.72 0.56 -0.76 0.00 0.00 0.00 175.10 174.59 1cgi s LEU 10 N 1.46 4.85 0.29 3.92 1.02 -1.26 -4.83 118.68 124.14 1cgi s LEU 10 Ca 0.11 -0.72 0.06 0.00 0.02 0.00 0.00 54.13 53.60 1cgi s LEU 10 Cb -0.18 -2.48 -0.02 0.00 0.02 0.00 0.00 46.19 43.52 1cgi s LEU 10 CO -0.21 -0.76 0.36 -0.94 0.02 0.00 0.00 176.35 174.82 1cgi s SER 11 N 2.25 5.88 0.00 2.29 1.04 -1.26 -4.98 113.70 118.92 1cgi s SER 11 Ca 0.15 -0.18 0.00 0.00 0.48 0.00 0.00 55.95 56.41 1cgi s SER 11 Cb -0.18 -1.40 0.00 0.00 0.10 0.00 0.00 66.02 64.55 1cgi s SER 11 CO 0.14 -0.25 0.67 0.61 0.98 0.00 0.00 173.24 175.40 1cgi n GLY 12 N -1.45 -0.23 0.15 7.32 0.00 -1.26 0.20 105.19 109.93 1cgi n GLY 12 Ca -0.04 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.09 1cgi n GLY 12 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1cgi h LEU 13 N 0.00 0.00 0.00 0.99 3.38 -1.94 -3.20 115.31 114.54 1cgi h LEU 13 Ca 0.00 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1cgi h LEU 13 Cb 0.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.96 1cgi h LEU 13 CO 0.00 0.00 0.00 -1.54 0.09 0.00 0.00 178.44 176.99 1cgi n SER 14 N -2.81 0.00 -0.00 -0.43 3.41 0.54 -3.24 113.62 111.08 1cgi n SER 14 Ca 0.02 0.47 0.08 0.00 -0.26 0.00 0.00 58.87 59.17 1cgi n SER 14 Cb 0.54 -0.49 -0.10 0.00 -0.26 0.00 0.00 64.21 63.90 1cgi n SER 14 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1cgi n ARG 15 N -1.49 1.41 -4.40 4.33 1.74 -1.21 0.29 116.66 117.34 1cgi n ARG 15 Ca 0.05 -0.02 -0.22 0.00 -0.77 0.00 0.00 57.85 56.89 1cgi n ARG 15 Cb 0.22 -1.29 -0.10 0.00 -1.02 0.00 0.00 32.46 30.27 1cgi n ARG 15 CO 0.00 0.00 0.00 0.96 -1.52 0.00 0.00 177.63 177.07 1cgi s ILE 16 N -2.64 2.11 0.00 0.55 -4.36 -1.20 -4.51 121.20 111.14 1cgi s ILE 16 Ca 0.04 -2.25 0.00 0.00 -0.26 0.00 0.00 60.65 58.18 1cgi s ILE 16 Cb 0.12 -2.14 0.00 0.00 1.25 0.00 0.00 42.46 41.69 1cgi s ILE 16 CO 0.68 -0.45 0.00 0.52 0.24 0.00 0.00 174.94 175.93 1cgi n VAL 17 N -0.37 0.00 -3.49 8.37 0.31 -0.73 -2.33 118.33 120.10 1cgi n VAL 17 Ca -0.08 0.00 -0.35 0.00 -0.01 0.00 0.00 64.34 63.91 1cgi n VAL 17 Cb 0.60 0.00 0.03 0.00 -0.91 0.00 0.00 33.84 33.56 1cgi n VAL 17 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 1cgi n ASN 18 N 0.00 -5.64 0.00 4.52 4.13 -1.25 -4.93 115.26 112.09 1cgi n ASN 18 Ca 0.00 -0.20 0.00 0.00 1.68 0.00 0.00 54.58 56.06 1cgi n ASN 18 Cb 0.00 -1.98 0.00 0.00 -1.54 0.00 0.00 39.78 36.26 1cgi n ASN 18 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1cgi n GLY 19 N -0.38 0.06 3.43 7.41 0.00 -0.98 -4.97 105.19 109.76 1cgi n GLY 19 Ca -0.10 -0.06 -0.22 0.00 0.00 0.00 0.00 46.02 45.65 1cgi n GLY 19 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1cgi s GLU 20 N 0.00 1.73 -0.11 1.61 -1.05 0.21 -4.74 118.70 116.34 1cgi s GLU 20 Ca 0.00 -2.01 -0.18 0.00 -0.15 0.00 0.00 54.97 52.63 1cgi s GLU 20 Cb 0.00 -0.50 -0.04 0.00 -0.44 0.00 0.00 34.13 33.15 1cgi s GLU 20 CO 0.00 -0.39 0.49 -2.00 0.95 0.00 0.00 175.26 174.31 1cgi s GLU 21 N -3.81 4.34 0.77 -4.83 2.12 -1.26 0.24 118.70 116.27 1cgi s GLU 21 Ca 0.31 0.48 -0.11 0.00 0.36 0.00 0.00 54.97 56.01 1cgi s GLU 21 Cb 0.05 -3.43 0.05 0.00 0.26 0.00 0.00 34.13 31.06 1cgi s GLU 21 CO 0.16 0.17 1.09 0.00 -0.54 0.00 0.00 175.26 176.13 1cgi s ALA 22 N 0.58 2.37 0.02 6.30 0.00 -0.89 -4.85 121.76 125.29 1cgi s ALA 22 Ca 0.27 -0.13 -0.30 0.00 0.00 0.00 0.00 51.96 51.80 1cgi s ALA 22 Cb -0.15 -3.13 -0.04 0.00 0.00 0.00 0.00 23.12 19.80 1cgi s ALA 22 CO 0.11 -1.59 1.05 0.08 0.00 0.00 0.00 175.76 175.41 1cgi s VAL 23 N -3.13 4.60 0.23 0.00 1.01 -1.26 -4.93 120.40 116.91 1cgi s VAL 23 Ca 0.60 1.86 -0.32 0.00 0.00 0.00 0.00 61.98 64.13 1cgi s VAL 23 Cb -0.14 -4.19 -0.12 0.00 0.00 0.00 0.00 36.38 31.92 1cgi s VAL 23 CO 0.54 0.14 1.65 -2.65 0.00 0.00 0.00 175.10 174.78 1cgi n PRO 24 N 3.94 2.63 -0.95 2.72 -0.02 -1.26 -2.75 135.00 139.32 1cgi n PRO 24 Ca 0.07 0.94 0.00 0.00 -2.02 0.00 0.00 63.50 62.49 1cgi n PRO 24 Cb 0.49 -2.75 0.00 0.00 -0.02 0.00 0.00 33.50 31.22 1cgi n PRO 24 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1cgi n GLY 25 N 3.25 0.76 0.00 -1.23 0.00 -1.26 -4.97 105.19 101.74 1cgi n GLY 25 Ca 0.14 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.29 1cgi n GLY 25 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1cgi n SER 26 N 0.00 0.00 -3.29 1.61 3.41 -1.11 -4.19 113.62 110.06 1cgi n SER 26 Ca 0.00 0.32 -0.25 0.00 -0.26 0.00 0.00 58.87 58.68 1cgi n SER 26 Cb 0.00 -0.44 -0.08 0.00 -0.26 0.00 0.00 64.21 63.43 1cgi n SER 26 CO 0.00 0.00 0.00 0.79 -0.16 0.00 0.00 175.04 175.67 1cgi n TRP 27 N -1.44 0.34 0.25 7.33 7.02 -1.26 -4.45 117.44 125.23 1cgi n TRP 27 Ca 0.09 -3.65 0.16 0.00 -1.02 0.00 0.00 57.50 53.08 1cgi n TRP 27 Cb 0.30 -0.30 0.87 0.00 -2.42 0.00 0.00 31.31 29.76 1cgi n TRP 27 CO 0.00 0.00 0.00 -1.00 -2.02 0.00 0.00 177.69 174.67 1cgi h PRO 28 N 4.33 0.00 -0.00 -0.99 0.13 -1.76 -0.70 132.00 133.02 1cgi h PRO 28 Ca 0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 1cgi h PRO 28 Cb 0.84 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.97 1cgi h PRO 28 CO 0.52 0.00 -0.09 -2.67 -0.23 0.00 0.00 178.00 175.53 1cgi n TRP 29 N -3.84 0.00 -2.49 1.56 2.14 -1.01 -2.99 117.44 110.80 1cgi n TRP 29 Ca -0.01 0.00 -0.43 0.00 2.07 0.00 0.00 57.50 59.14 1cgi n TRP 29 Cb 0.21 -0.22 -0.02 0.00 -0.81 0.00 0.00 31.31 30.47 1cgi n TRP 29 CO 0.00 0.00 0.00 -1.14 2.07 0.00 0.00 177.69 178.62 1cgi s GLN 30 N -2.52 4.29 0.12 -2.67 2.00 -0.27 0.32 119.66 120.93 1cgi s GLN 30 Ca 0.28 1.60 0.03 0.00 -2.00 0.00 0.00 55.36 55.27 1cgi s GLN 30 Cb 0.20 -3.66 -0.04 0.00 0.80 0.00 0.00 33.01 30.31 1cgi s GLN 30 CO 0.48 -0.58 -0.09 0.14 -0.50 0.00 0.00 175.29 174.75 1cgi s VAL 31 N 2.90 0.92 -0.18 1.34 -7.23 0.12 -4.64 120.40 113.63 1cgi s VAL 31 Ca 0.53 -1.93 -0.03 0.00 -1.81 0.00 0.00 61.98 58.73 1cgi s VAL 31 Cb -0.21 -1.69 -0.02 0.00 0.56 0.00 0.00 36.38 35.02 1cgi s VAL 31 CO 0.16 -0.77 -0.05 -0.55 -0.31 0.00 0.00 175.10 173.58 1cgi s SER 32 N -2.99 4.48 -0.07 4.85 0.15 -1.14 -0.39 113.70 118.60 1cgi s SER 32 Ca 0.13 -0.27 -0.21 0.00 0.70 0.00 0.00 55.95 56.30 1cgi s SER 32 Cb 0.03 -1.74 -0.04 0.00 -1.71 0.00 0.00 66.02 62.55 1cgi s SER 32 CO -0.02 0.08 0.59 -0.76 1.20 0.00 0.00 173.24 174.34 1cgi s LEU 33 N 0.86 4.33 0.06 3.45 1.43 0.32 -1.16 118.68 127.97 1cgi s LEU 33 Ca -0.01 1.05 -0.05 0.00 -1.03 0.00 0.00 54.13 54.09 1cgi s LEU 33 Cb -0.15 -2.90 -0.02 0.00 0.03 0.00 0.00 46.19 43.16 1cgi s LEU 33 CO 0.01 -0.01 0.08 -1.10 0.23 0.00 0.00 176.35 175.56 1cgi s GLN 34 N 0.46 0.67 1.24 1.70 -0.21 -0.31 -1.91 119.66 121.30 1cgi s GLN 34 Ca 0.32 -0.98 -0.20 0.00 0.02 0.00 0.00 55.36 54.51 1cgi s GLN 34 Cb -0.17 0.26 0.30 0.00 1.00 0.00 0.00 33.01 34.40 1cgi s GLN 34 CO 0.15 -0.17 1.11 -0.51 -2.12 0.00 0.00 175.29 173.75 1cgi s ASP 35 N -2.63 0.60 0.38 5.90 1.11 -0.88 -1.06 116.67 120.09 1cgi s ASP 35 Ca 0.02 0.55 0.20 0.00 0.18 0.00 0.00 52.55 53.50 1cgi s ASP 35 Cb 0.04 -0.73 0.39 0.00 1.07 0.00 0.00 42.92 43.69 1cgi s ASP 35 CO -0.08 -4.31 1.60 0.07 1.18 0.00 0.00 175.17 173.62 1cgi h LYS 36 N -2.71 0.00 0.00 8.23 2.10 -1.93 -2.91 116.57 119.35 1cgi h LYS 36 Ca -0.43 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.22 1cgi h LYS 36 Cb 1.29 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.62 1cgi h LYS 36 CO 0.30 0.26 0.00 1.15 -2.00 0.00 0.00 179.45 179.16 1cgi h THR 37 N 0.00 0.00 -1.00 0.07 2.02 -1.94 -3.46 112.91 108.60 1cgi h THR 37 Ca -0.00 -0.29 0.00 0.00 0.77 0.00 0.00 66.41 66.89 1cgi h THR 37 Cb 1.09 1.23 0.00 0.00 -1.74 0.00 0.00 68.15 68.74 1cgi h THR 37 CO 0.03 0.00 0.00 0.61 0.37 0.00 0.00 175.52 176.53 1cgi n GLY 38 N -0.40 0.86 3.22 2.16 0.00 -1.10 -5.04 105.19 104.89 1cgi n GLY 38 Ca -0.01 -0.53 -0.35 0.00 0.00 0.00 0.00 46.02 45.14 1cgi n GLY 38 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1cgi s PHE 39 N -2.80 3.06 -0.05 1.61 2.19 -1.26 -4.87 117.98 115.86 1cgi s PHE 39 Ca 0.00 -1.45 -0.30 0.00 0.33 0.00 0.00 56.93 55.51 1cgi s PHE 39 Cb 0.00 -2.08 -0.05 0.00 -1.31 0.00 0.00 43.02 39.58 1cgi s PHE 39 CO 0.00 -0.70 1.56 -1.58 1.83 0.00 0.00 175.22 176.33 1cgi s HIS 40 N 1.35 2.27 0.00 10.12 5.65 -1.26 -2.07 115.29 131.35 1cgi s HIS 40 Ca 0.01 0.41 0.00 0.00 0.25 0.00 0.00 55.06 55.73 1cgi s HIS 40 Cb -0.16 -3.83 0.00 0.00 -1.18 0.00 0.00 32.58 27.41 1cgi s HIS 40 CO -0.04 -3.35 0.00 1.97 -0.65 0.00 0.00 174.74 172.67 1cgi n PHE 41 N 6.64 0.00 -3.75 3.88 1.16 -0.80 -4.99 117.46 119.59 1cgi n PHE 41 Ca 0.16 0.00 -0.02 0.00 -1.87 0.00 0.00 57.45 55.72 1cgi n PHE 41 Cb 0.43 0.00 -0.01 0.00 -1.61 0.00 0.00 39.48 38.29 1cgi n PHE 41 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1cgi n GLY 43 N -0.52 3.47 3.77 0.00 0.00 0.29 -0.52 105.19 111.68 1cgi n GLY 43 Ca -0.06 -2.37 -0.03 0.00 0.00 0.00 0.00 46.02 43.56 1cgi n GLY 43 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1cgi s GLY 44 N -3.90 -0.18 -0.01 -0.02 0.00 0.48 -3.89 107.32 99.80 1cgi s GLY 44 Ca 0.03 0.05 0.03 0.00 0.00 0.00 0.00 44.72 44.84 1cgi s GLY 44 CO 0.02 0.27 -0.11 -0.56 0.00 0.00 0.00 173.10 172.72 1cgi s SER 45 N -3.00 1.29 -0.21 1.64 0.01 -0.73 -0.70 113.70 112.00 1cgi s SER 45 Ca 0.13 -0.20 -0.21 0.00 1.31 0.00 0.00 55.95 56.98 1cgi s SER 45 Cb -0.02 -0.19 -0.02 0.00 0.21 0.00 0.00 66.02 66.00 1cgi s SER 45 CO 0.03 0.12 0.66 -0.76 0.41 0.00 0.00 173.24 173.70 1cgi s LEU 46 N -0.16 4.13 -0.01 2.44 1.43 0.15 0.28 118.68 126.93 1cgi s LEU 46 Ca 0.03 0.85 0.20 0.00 -1.03 0.00 0.00 54.13 54.17 1cgi s LEU 46 Cb -0.05 -2.93 -0.27 0.00 0.03 0.00 0.00 46.19 42.97 1cgi s LEU 46 CO -0.00 -0.31 0.63 2.30 0.23 0.00 0.00 176.35 179.20 1cgi n ILE 47 N 4.82 0.00 -3.76 -0.59 -5.35 -1.03 -1.07 119.36 112.39 1cgi n ILE 47 Ca -0.00 -0.26 -0.07 0.00 -0.27 0.00 0.00 62.75 62.15 1cgi n ILE 47 Cb 0.49 0.50 -0.01 0.00 -1.74 0.00 0.00 39.64 38.88 1cgi n ILE 47 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 1cgi n ASN 48 N -1.85 -0.73 -0.37 7.28 4.13 -1.25 -4.66 115.26 117.81 1cgi n ASN 48 Ca -0.00 -1.92 0.14 0.00 1.68 0.00 0.00 54.58 54.48 1cgi n ASN 48 Cb 0.42 1.33 0.50 0.00 -1.54 0.00 0.00 39.78 40.50 1cgi n ASN 48 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 1cgi n GLU 49 N -0.28 1.33 -0.00 3.52 4.71 -1.26 -4.21 120.64 124.44 1cgi n GLU 49 Ca -0.00 -0.75 -0.00 0.00 -0.01 0.00 0.00 57.16 56.40 1cgi n GLU 49 Cb 0.29 -1.48 -0.00 0.00 -1.01 0.00 0.00 31.44 29.23 1cgi n GLU 49 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 1cgi n ASN 50 N -0.18 4.94 -4.43 1.62 3.02 -1.26 0.10 115.26 119.07 1cgi n ASN 50 Ca 0.17 0.00 -0.28 0.00 -0.03 0.00 0.00 54.58 54.44 1cgi n ASN 50 Cb 0.34 0.66 -0.12 0.00 -0.61 0.00 0.00 39.78 40.05 1cgi n ASN 50 CO 0.00 0.00 0.00 0.26 -2.62 0.00 0.00 177.26 174.90 1cgi s TRP 51 N -2.01 2.35 -0.01 3.10 0.52 -1.26 -0.24 118.94 121.38 1cgi s TRP 51 Ca -0.00 -0.35 0.04 0.00 0.02 0.00 0.00 56.10 55.81 1cgi s TRP 51 Cb 0.00 -1.21 -0.01 0.00 -1.15 0.00 0.00 33.47 31.10 1cgi s TRP 51 CO 0.01 0.43 -0.12 0.08 0.02 0.00 0.00 176.95 177.37 1cgi s VAL 52 N -1.39 0.99 -0.14 4.03 1.01 -0.60 -2.46 120.40 121.83 1cgi s VAL 52 Ca 0.18 -0.52 -0.03 0.00 0.00 0.00 0.00 61.98 61.61 1cgi s VAL 52 Cb -0.09 -0.83 -0.03 0.00 0.00 0.00 0.00 36.38 35.43 1cgi s VAL 52 CO 0.09 0.28 -0.03 0.54 0.00 0.00 0.00 175.10 175.98 1cgi s VAL 53 N -0.20 3.98 0.07 2.92 0.11 0.14 0.82 120.40 128.24 1cgi s VAL 53 Ca 0.03 -0.34 0.01 0.00 -2.93 0.00 0.00 61.98 58.75 1cgi s VAL 53 Cb -0.06 -2.72 -0.00 0.00 -1.53 0.00 0.00 36.38 32.06 1cgi s VAL 53 CO -0.00 0.52 0.07 1.07 -3.33 0.00 0.00 175.10 173.43 1cgi n THR 54 N 3.18 0.00 -3.56 5.04 5.66 0.02 -1.78 114.28 122.84 1cgi n THR 54 Ca -0.18 -0.44 -0.37 0.00 -3.05 0.00 0.00 64.05 60.01 1cgi n THR 54 Cb 0.53 0.23 -0.06 0.00 -1.55 0.00 0.00 70.33 69.48 1cgi n THR 54 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1cgi s ALA 55 N -2.12 3.69 -0.64 1.79 0.00 -1.26 -1.84 121.76 121.39 1cgi s ALA 55 Ca 0.07 -0.34 0.25 0.00 0.00 0.00 0.00 51.96 51.95 1cgi s ALA 55 Cb 0.00 -2.33 0.88 0.00 0.00 0.00 0.00 23.12 21.67 1cgi s ALA 55 CO 0.05 0.40 1.75 0.00 0.00 0.00 0.00 175.76 177.96 1cgi n ALA 56 N 2.32 2.04 1.33 0.00 0.00 -1.22 -2.87 120.51 122.11 1cgi n ALA 56 Ca -0.14 0.02 0.14 0.00 0.00 0.00 0.00 53.44 53.45 1cgi n ALA 56 Cb 0.53 -1.44 0.53 0.00 0.00 0.00 0.00 19.45 19.07 1cgi n ALA 56 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.50 175.11 1cgi n HIS 57 N -2.25 0.00 0.12 0.00 1.44 -1.26 -3.69 115.22 109.59 1cgi n HIS 57 Ca 0.04 0.00 -0.01 0.00 -2.01 0.00 0.00 57.72 55.74 1cgi n HIS 57 Cb 0.35 -0.18 0.08 0.00 0.12 0.00 0.00 29.99 30.36 1cgi n HIS 57 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1cgi n GLY 59 N 0.80 -0.23 3.75 0.00 0.00 -1.24 -4.99 105.19 103.28 1cgi n GLY 59 Ca 0.00 0.04 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 1cgi n GLY 59 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1cgi s VAL 60 N -3.25 3.66 0.26 1.61 1.01 -1.26 -5.04 120.40 117.40 1cgi s VAL 60 Ca 0.10 1.57 0.09 0.00 0.00 0.00 0.00 61.98 63.74 1cgi s VAL 60 Cb -0.01 -4.00 -0.04 0.00 0.00 0.00 0.00 36.38 32.33 1cgi s VAL 60 CO 0.49 0.33 0.07 0.42 0.00 0.00 0.00 175.10 176.42 1cgi s THR 61 N -0.80 3.81 0.55 3.92 -4.23 -1.26 -4.97 115.64 112.65 1cgi s THR 61 Ca 0.46 -1.72 0.41 0.00 -1.18 0.00 0.00 61.69 59.66 1cgi s THR 61 Cb -0.31 -3.05 0.43 0.00 1.34 0.00 0.00 72.50 70.91 1cgi s THR 61 CO 0.38 -0.36 2.28 0.71 -0.54 0.00 0.00 174.62 177.09 1cgi h THR 62 N 1.73 0.06 0.00 3.99 1.35 -1.95 0.94 112.91 119.03 1cgi h THR 62 Ca -0.46 -0.12 -0.01 0.00 -0.55 0.00 0.00 66.41 65.27 1cgi h THR 62 Cb 1.25 1.11 -0.00 0.00 -1.73 0.00 0.00 68.15 68.78 1cgi h THR 62 CO 0.61 0.01 -0.03 -1.28 -0.25 0.00 0.00 175.52 174.57 1cgi h SER 63 N 0.00 0.00 -3.97 5.36 0.87 -1.95 -3.36 113.55 110.50 1cgi h SER 63 Ca -0.00 0.00 -0.49 0.00 -1.23 0.00 0.00 61.79 60.07 1cgi h SER 63 Cb 0.11 0.00 0.06 0.00 -0.44 0.00 0.00 62.40 62.13 1cgi h SER 63 CO 0.00 0.03 0.27 -1.81 -0.53 0.00 0.00 176.83 174.79 1cgi s ASP 64 N -5.90 5.76 -0.03 6.23 1.01 0.32 -4.26 116.67 119.81 1cgi s ASP 64 Ca 0.03 0.97 0.08 0.00 0.71 0.00 0.00 52.55 54.34 1cgi s ASP 64 Cb 0.08 -1.98 -0.02 0.00 1.01 0.00 0.00 42.92 42.01 1cgi s ASP 64 CO 0.59 -1.03 -0.26 -0.69 0.21 0.00 0.00 175.17 174.00 1cgi s VAL 65 N -3.08 2.06 -0.26 -1.27 1.01 -0.22 -4.20 120.40 114.44 1cgi s VAL 65 Ca 0.54 -1.10 -0.09 0.00 0.00 0.00 0.00 61.98 61.33 1cgi s VAL 65 Cb -0.11 -1.71 -0.04 0.00 0.00 0.00 0.00 36.38 34.53 1cgi s VAL 65 CO 0.48 0.58 0.13 -0.69 0.00 0.00 0.00 175.10 175.60 1cgi s VAL 66 N -0.55 4.85 -0.28 2.92 1.01 -0.97 -1.16 120.40 126.22 1cgi s VAL 66 Ca 0.08 0.01 -0.08 0.00 0.00 0.00 0.00 61.98 61.99 1cgi s VAL 66 Cb -0.11 -3.29 -0.01 0.00 0.00 0.00 0.00 36.38 32.98 1cgi s VAL 66 CO -0.00 0.31 0.11 -0.69 0.00 0.00 0.00 175.10 174.82 1cgi s VAL 67 N 1.57 4.39 0.08 2.92 1.01 -0.31 -1.07 120.40 128.99 1cgi s VAL 67 Ca 0.06 -0.36 0.03 0.00 0.00 0.00 0.00 61.98 61.72 1cgi s VAL 67 Cb -0.15 -3.16 -0.04 0.00 0.00 0.00 0.00 36.38 33.02 1cgi s VAL 67 CO 0.07 0.18 0.08 0.00 0.00 0.00 0.00 175.10 175.43 1cgi s ALA 68 N 1.60 3.57 -0.61 5.51 0.00 0.48 -2.89 121.76 129.43 1cgi s ALA 68 Ca 0.05 -1.01 -0.04 0.00 0.00 0.00 0.00 51.96 50.97 1cgi s ALA 68 Cb -0.16 -1.44 0.00 0.00 0.00 0.00 0.00 23.12 21.52 1cgi s ALA 68 CO 0.05 0.75 0.47 0.41 0.00 0.00 0.00 175.76 177.44 1cgi n GLY 69 N 0.46 0.27 3.87 0.00 0.00 -1.26 1.00 105.19 109.53 1cgi n GLY 69 Ca -0.09 -0.29 -0.34 0.00 0.00 0.00 0.00 46.02 45.30 1cgi n GLY 69 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1cgi s GLU 70 N -5.47 3.36 0.00 1.61 2.12 -1.26 -4.58 118.70 114.47 1cgi s GLU 70 Ca 0.23 -0.29 0.00 0.00 0.36 0.00 0.00 54.97 55.27 1cgi s GLU 70 Cb -0.10 -3.07 0.00 0.00 0.26 0.00 0.00 34.13 31.21 1cgi s GLU 70 CO 0.29 0.70 0.00 0.34 -0.54 0.00 0.00 175.26 176.05 1cgi n PHE 71 N 1.35 0.00 -2.91 5.30 7.35 -1.26 -4.84 117.46 122.46 1cgi n PHE 71 Ca -0.14 0.00 -0.43 0.00 -0.76 0.00 0.00 57.45 56.12 1cgi n PHE 71 Cb 0.53 0.00 -0.05 0.00 0.35 0.00 0.00 39.48 40.32 1cgi n PHE 71 CO 0.00 0.00 0.00 0.34 -0.76 0.00 0.00 176.76 176.34 1cgi s ASP 72 N 0.23 6.47 0.46 -2.13 -1.08 -1.26 -2.89 116.67 116.47 1cgi s ASP 72 Ca 0.00 0.06 0.25 0.00 -0.52 0.00 0.00 52.55 52.34 1cgi s ASP 72 Cb 0.00 -2.41 0.60 0.00 -1.46 0.00 0.00 42.92 39.64 1cgi s ASP 72 CO 0.00 -0.94 1.70 1.56 0.52 0.00 0.00 175.17 178.01 1cgi h GLN 73 N 8.93 0.00 -0.00 4.34 4.20 -0.95 -2.96 115.11 128.67 1cgi h GLN 73 Ca -0.24 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.47 1cgi h GLN 73 Cb 1.08 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.86 1cgi h GLN 73 CO 0.98 0.03 -0.01 0.41 -0.67 0.00 0.00 178.83 179.56 1cgi n GLY 74 N 0.82 -0.91 0.00 3.46 0.00 -1.26 -4.72 105.19 102.59 1cgi n GLY 74 Ca 0.03 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.82 1cgi n GLY 74 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1cgi n SER 75 N -0.89 0.00 0.00 1.61 2.88 -1.12 -4.97 113.62 111.14 1cgi n SER 75 Ca 0.21 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.75 1cgi n SER 75 Cb 0.18 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.64 1cgi n SER 75 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1cgi n SER 76 N 0.00 0.00 -1.75 -3.46 7.64 -1.26 -5.02 113.62 109.77 1cgi n SER 76 Ca 0.00 0.00 -0.01 0.00 1.01 0.00 0.00 58.87 59.87 1cgi n SER 76 Cb 0.00 0.00 0.07 0.00 -1.01 0.00 0.00 64.21 63.27 1cgi n SER 76 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1cgi n SER 77 N 0.00 1.98 -4.51 6.43 3.41 -1.26 -5.08 113.62 114.59 1cgi n SER 77 Ca 0.00 -2.72 -0.26 0.00 -0.26 0.00 0.00 58.87 55.63 1cgi n SER 77 Cb 0.00 -0.41 -0.10 0.00 -0.26 0.00 0.00 64.21 63.44 1cgi n SER 77 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1cgi s GLU 78 N -2.34 1.84 -0.88 4.33 2.02 -1.26 -5.08 118.70 117.33 1cgi s GLU 78 Ca 0.36 -1.43 -0.19 0.00 0.02 0.00 0.00 54.97 53.73 1cgi s GLU 78 Cb 0.37 -2.00 0.13 0.00 0.10 0.00 0.00 34.13 32.73 1cgi s GLU 78 CO -0.08 0.41 1.06 0.15 0.02 0.00 0.00 175.26 176.82 1cgi s LYS 79 N -2.90 3.52 0.23 1.61 1.02 -1.26 -4.98 119.74 116.98 1cgi s LYS 79 Ca 0.24 -1.69 0.11 0.00 0.02 0.00 0.00 55.97 54.66 1cgi s LYS 79 Cb -0.08 -4.78 -0.05 0.00 -0.52 0.00 0.00 37.83 32.41 1cgi s LYS 79 CO 0.14 -1.73 -0.22 0.96 -0.92 0.00 0.00 175.35 173.57 1cgi s ILE 80 N 2.67 2.37 -0.31 2.17 -4.36 -1.26 -4.73 121.20 117.75 1cgi s ILE 80 Ca 0.29 -2.21 -0.08 0.00 -0.26 0.00 0.00 60.65 58.39 1cgi s ILE 80 Cb -0.07 -2.19 0.01 0.00 1.25 0.00 0.00 42.46 41.45 1cgi s ILE 80 CO -0.07 -0.27 0.12 -1.10 0.24 0.00 0.00 174.94 173.86 1cgi s GLN 81 N -3.09 3.13 -0.74 0.37 -0.21 0.28 -4.93 119.66 114.46 1cgi s GLN 81 Ca 0.25 -0.85 -0.11 0.00 0.02 0.00 0.00 55.36 54.67 1cgi s GLN 81 Cb -0.06 -3.48 0.20 0.00 1.00 0.00 0.00 33.01 30.67 1cgi s GLN 81 CO 0.12 -0.47 0.65 0.15 -2.12 0.00 0.00 175.29 173.63 1cgi s LYS 82 N 1.54 3.27 0.17 2.91 1.02 -1.26 0.18 119.74 127.57 1cgi s LYS 82 Ca 0.03 -2.40 -0.20 0.00 0.02 0.00 0.00 55.97 53.42 1cgi s LYS 82 Cb -0.17 -4.24 -0.08 0.00 -0.52 0.00 0.00 37.83 32.82 1cgi s LYS 82 CO 0.04 -1.26 0.68 -0.51 -0.92 0.00 0.00 175.35 173.38 1cgi s LEU 83 N 0.26 4.44 0.49 3.17 1.43 -0.23 -4.93 118.68 123.31 1cgi s LEU 83 Ca 0.16 1.40 -0.02 0.00 -1.03 0.00 0.00 54.13 54.64 1cgi s LEU 83 Cb -0.15 -3.33 -0.00 0.00 0.03 0.00 0.00 46.19 42.74 1cgi s LEU 83 CO -0.06 0.13 0.74 -0.54 0.23 0.00 0.00 176.35 176.85 1cgi s LYS 84 N -1.60 3.03 -0.11 1.70 1.02 -1.26 -2.29 119.74 120.24 1cgi s LYS 84 Ca 0.38 -0.33 -0.04 0.00 0.02 0.00 0.00 55.97 56.00 1cgi s LYS 84 Cb -0.19 -2.47 -0.04 0.00 -0.52 0.00 0.00 37.83 34.62 1cgi s LYS 84 CO 0.22 -0.40 0.04 0.42 -0.92 0.00 0.00 175.35 174.70 1cgi s ILE 85 N -2.69 4.60 -0.17 2.17 1.01 -1.26 -1.71 121.20 123.15 1cgi s ILE 85 Ca 0.50 -0.13 0.07 0.00 0.00 0.00 0.00 60.65 61.09 1cgi s ILE 85 Cb -0.10 -2.97 -0.15 0.00 0.01 0.00 0.00 42.46 39.25 1cgi s ILE 85 CO 0.40 0.59 -0.07 0.00 0.00 0.00 0.00 174.94 175.86 1cgi n ALA 86 N 2.33 1.61 -3.62 9.38 0.00 0.38 -4.71 120.51 125.87 1cgi n ALA 86 Ca -0.19 -0.90 -0.10 0.00 0.00 0.00 0.00 53.44 52.26 1cgi n ALA 86 Cb 0.54 -0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.91 1cgi n ALA 86 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1cgi s LYS 87 N -2.37 0.71 -0.26 0.00 2.36 -1.04 -5.00 119.74 114.14 1cgi s LYS 87 Ca -0.18 1.07 -0.09 0.00 -2.55 0.00 0.00 55.97 54.23 1cgi s LYS 87 Cb 0.06 0.22 -0.04 0.00 -1.05 0.00 0.00 37.83 37.02 1cgi s LYS 87 CO 0.52 -0.13 0.12 0.08 1.55 0.00 0.00 175.35 177.49 1cgi s VAL 88 N 1.11 4.71 -0.56 4.02 1.01 -1.26 0.43 120.40 129.86 1cgi s VAL 88 Ca -0.06 -0.03 0.04 0.00 0.00 0.00 0.00 61.98 61.93 1cgi s VAL 88 Cb -0.05 -3.22 0.14 0.00 0.00 0.00 0.00 36.38 33.25 1cgi s VAL 88 CO -0.11 0.30 0.32 -0.36 0.00 0.00 0.00 175.10 175.26 1cgi s PHE 89 N 1.67 3.13 -0.15 5.22 0.40 0.61 -4.97 117.98 123.89 1cgi s PHE 89 Ca 0.07 -3.13 -0.21 0.00 -0.60 0.00 0.00 56.93 53.06 1cgi s PHE 89 Cb -0.15 -2.66 -0.03 0.00 0.51 0.00 0.00 43.02 40.68 1cgi s PHE 89 CO 0.07 -0.69 0.61 0.21 0.70 0.00 0.00 175.22 176.11 1cgi s LYS 90 N -0.55 4.30 0.24 0.44 2.20 -1.26 0.03 119.74 125.14 1cgi s LYS 90 Ca 0.19 0.64 -0.28 0.00 -0.36 0.00 0.00 55.97 56.16 1cgi s LYS 90 Cb -0.19 -3.51 -0.16 0.00 -1.51 0.00 0.00 37.83 32.46 1cgi s LYS 90 CO -0.05 -0.07 0.72 -1.71 -0.36 0.00 0.00 175.35 173.88 1cgi n ASN 91 N 4.42 -0.22 0.14 1.43 2.85 -0.92 -4.87 115.26 118.09 1cgi n ASN 91 Ca -0.03 1.15 0.10 0.00 -0.11 0.00 0.00 54.58 55.69 1cgi n ASN 91 Cb 0.51 -1.09 0.05 0.00 1.24 0.00 0.00 39.78 40.49 1cgi n ASN 91 CO 0.00 0.00 0.00 0.77 -2.11 0.00 0.00 177.26 175.92 1cgi h SER 92 N 1.39 0.00 -0.15 1.20 4.64 -1.91 -3.19 113.55 115.54 1cgi h SER 92 Ca -0.33 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.99 1cgi h SER 92 Cb 1.40 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.49 1cgi h SER 92 CO 0.58 0.08 0.00 0.29 -0.87 0.00 0.00 176.83 176.91 1cgi n LYS 93 N -2.88 1.60 -2.29 4.77 5.02 -1.26 -4.91 118.16 118.22 1cgi n LYS 93 Ca 0.01 -0.91 -0.41 0.00 -2.02 0.00 0.00 58.31 54.98 1cgi n LYS 93 Cb 0.58 -1.36 -0.03 0.00 -0.02 0.00 0.00 35.03 34.19 1cgi n LYS 93 CO 0.00 0.00 0.00 -0.47 -0.52 0.00 0.00 177.40 176.41 1cgi s TYR 94 N -1.81 3.32 -0.22 2.13 5.04 -1.21 -4.42 117.35 120.18 1cgi s TYR 94 Ca 0.30 1.39 -0.01 0.00 -2.44 0.00 0.00 57.07 56.32 1cgi s TYR 94 Cb 0.16 -3.51 0.02 0.00 0.35 0.00 0.00 41.96 38.97 1cgi s TYR 94 CO 0.24 -1.46 -0.11 1.21 -1.34 0.00 0.00 175.55 174.10 1cgi s ASN 95 N -0.07 3.91 0.45 4.32 3.04 0.51 -4.91 114.94 122.20 1cgi s ASN 95 Ca 0.52 -0.69 0.27 0.00 0.04 0.00 0.00 52.86 53.00 1cgi s ASN 95 Cb -0.35 -1.62 0.75 0.00 -1.54 0.00 0.00 41.25 38.49 1cgi s ASN 95 CO 0.41 -0.06 1.75 0.77 -3.04 0.00 0.00 177.10 176.93 1cgi h SER 96 N 8.00 0.00 0.12 -4.21 4.64 -1.94 1.42 113.55 121.58 1cgi h SER 96 Ca -0.39 0.00 -0.23 0.00 -0.47 0.00 0.00 61.79 60.70 1cgi h SER 96 Cb 1.13 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 63.23 1cgi h SER 96 CO 0.60 0.00 -1.10 -0.07 -0.87 0.00 0.00 176.83 175.39 1cgi h LEU 97 N 0.00 0.40 0.00 5.97 3.38 -1.97 -3.40 115.31 119.69 1cgi h LEU 97 Ca 0.00 -0.89 -0.05 0.00 0.09 0.00 0.00 57.88 57.03 1cgi h LEU 97 Cb 0.79 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.40 1cgi h LEU 97 CO 0.00 1.50 -1.83 0.41 0.09 0.00 0.00 178.44 178.60 1cgi n THR 98 N -4.05 0.35 -2.15 0.22 -1.04 -1.23 -5.01 114.28 101.36 1cgi n THR 98 Ca -0.20 -0.56 -0.10 0.00 -2.04 0.00 0.00 64.05 61.16 1cgi n THR 98 Cb 0.85 -0.16 -0.01 0.00 -1.82 0.00 0.00 70.33 69.19 1cgi n THR 98 CO 0.00 0.00 0.00 -0.38 -0.64 0.00 0.00 175.07 174.05 1cgi n ILE 99 N -2.43 -0.44 -3.40 12.58 2.08 0.46 -5.00 119.36 123.21 1cgi n ILE 99 Ca -0.07 0.00 -0.31 0.00 0.56 0.00 0.00 62.75 62.93 1cgi n ILE 99 Cb 0.65 -1.63 -0.05 0.00 -0.75 0.00 0.00 39.64 37.86 1cgi n ILE 99 CO 0.00 0.00 0.00 0.21 0.56 0.00 0.00 176.55 177.32 1cgi s ASN 100 N -2.58 6.58 -1.13 4.38 2.47 0.06 -4.22 114.94 120.50 1cgi s ASN 100 Ca 0.00 0.86 -0.02 0.00 0.42 0.00 0.00 52.86 54.12 1cgi s ASN 100 Cb 0.00 -2.20 -0.02 0.00 -1.45 0.00 0.00 41.25 37.58 1cgi s ASN 100 CO 0.00 -0.10 0.95 0.59 -3.72 0.00 0.00 177.10 174.83 1cgi n ASN 101 N -0.31 -3.35 -2.91 -4.21 3.02 -1.26 0.19 115.26 106.43 1cgi n ASN 101 Ca -0.00 -0.63 -0.31 0.00 -0.03 0.00 0.00 54.58 53.61 1cgi n ASN 101 Cb 0.53 -5.05 -0.05 0.00 -0.61 0.00 0.00 39.78 34.59 1cgi n ASN 101 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1cgi n ASP 102 N -3.11 7.26 -4.16 6.41 2.03 -1.26 -3.56 116.55 120.15 1cgi n ASP 102 Ca -0.22 -2.93 -0.22 0.00 0.52 0.00 0.00 54.79 51.93 1cgi n ASP 102 Cb 0.65 -1.37 -0.14 0.00 -0.72 0.00 0.00 41.12 39.54 1cgi n ASP 102 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 1cgi s ILE 103 N -0.43 1.27 -0.08 5.18 2.07 -1.26 -3.45 121.20 124.49 1cgi s ILE 103 Ca 0.61 -0.92 -0.05 0.00 -1.41 0.00 0.00 60.65 58.89 1cgi s ILE 103 Cb 0.26 -1.11 0.04 0.00 0.13 0.00 0.00 42.46 41.78 1cgi s ILE 103 CO -0.11 0.18 0.20 -0.89 -1.91 0.00 0.00 174.94 172.41 1cgi s THR 104 N -0.65 -0.03 -0.13 4.00 2.01 -0.76 -2.16 115.64 117.90 1cgi s THR 104 Ca 0.05 0.13 -0.03 0.00 0.31 0.00 0.00 61.69 62.14 1cgi s THR 104 Cb -0.07 -0.31 -0.03 0.00 0.01 0.00 0.00 72.50 72.10 1cgi s THR 104 CO 0.01 0.05 -0.02 -0.76 -0.69 0.00 0.00 174.62 173.21 1cgi s LEU 105 N 0.97 3.38 -0.15 4.42 1.43 0.10 -0.80 118.68 128.04 1cgi s LEU 105 Ca -0.07 -0.03 -0.02 0.00 -1.03 0.00 0.00 54.13 52.98 1cgi s LEU 105 Cb -0.09 -1.80 -0.02 0.00 0.03 0.00 0.00 46.19 44.31 1cgi s LEU 105 CO -0.06 0.24 -0.08 -0.76 0.23 0.00 0.00 176.35 175.92 1cgi s LEU 106 N -0.06 2.96 -0.24 1.79 1.43 0.24 0.22 118.68 125.02 1cgi s LEU 106 Ca 0.02 -0.25 -0.09 0.00 -1.03 0.00 0.00 54.13 52.79 1cgi s LEU 106 Cb -0.13 -1.69 -0.04 0.00 0.03 0.00 0.00 46.19 44.35 1cgi s LEU 106 CO 0.02 0.15 0.12 -0.75 0.23 0.00 0.00 176.35 176.12 1cgi s LYS 107 N 0.46 3.88 0.23 1.70 2.20 1.46 -1.56 119.74 128.11 1cgi s LYS 107 Ca -0.07 -0.37 -0.22 0.00 -0.36 0.00 0.00 55.97 54.96 1cgi s LYS 107 Cb -0.15 -3.43 -0.09 0.00 -1.51 0.00 0.00 37.83 32.65 1cgi s LYS 107 CO 0.04 -0.04 0.78 -0.51 -0.36 0.00 0.00 175.35 175.26 1cgi s LEU 108 N 1.28 4.39 -0.05 5.43 1.43 0.67 0.14 118.68 131.98 1cgi s LEU 108 Ca 0.06 1.55 -0.22 0.00 -1.03 0.00 0.00 54.13 54.49 1cgi s LEU 108 Cb -0.14 -3.61 -0.29 0.00 0.03 0.00 0.00 46.19 42.18 1cgi s LEU 108 CO 0.05 0.05 0.93 -1.28 0.23 0.00 0.00 176.35 176.33 1cgi h SER 109 N 3.56 0.42 -3.68 2.29 0.87 -1.61 -3.42 113.55 111.98 1cgi h SER 109 Ca -0.47 -0.91 -0.67 0.00 -1.23 0.00 0.00 61.79 58.51 1cgi h SER 109 Cb 1.20 -0.13 -0.22 0.00 -0.44 0.00 0.00 62.40 62.80 1cgi h SER 109 CO 0.65 1.30 -0.56 -0.89 -0.53 0.00 0.00 176.83 176.80 1cgi s THR 110 N -2.60 4.67 0.43 2.23 2.01 -1.25 -5.00 115.64 116.13 1cgi s THR 110 Ca -0.14 -0.32 -0.25 0.00 0.31 0.00 0.00 61.69 61.29 1cgi s THR 110 Cb 0.01 -3.34 -0.08 0.00 0.01 0.00 0.00 72.50 69.09 1cgi s THR 110 CO 0.81 0.12 1.32 0.00 -0.69 0.00 0.00 174.62 176.18 1cgi s ALA 111 N 1.63 3.20 0.13 7.40 0.00 -1.26 -4.65 121.76 128.21 1cgi s ALA 111 Ca 0.05 1.27 -0.17 0.00 0.00 0.00 0.00 51.96 53.11 1cgi s ALA 111 Cb -0.17 -3.51 -0.07 0.00 0.00 0.00 0.00 23.12 19.37 1cgi s ALA 111 CO 0.07 -0.94 0.58 0.00 0.00 0.00 0.00 175.76 175.47 1cgi s ALA 112 N -1.27 3.56 -0.83 0.00 0.00 0.29 -5.01 121.76 118.49 1cgi s ALA 112 Ca 0.59 -0.03 -0.23 0.00 0.00 0.00 0.00 51.96 52.30 1cgi s ALA 112 Cb -0.39 -2.61 0.07 0.00 0.00 0.00 0.00 23.12 20.20 1cgi s ALA 112 CO 0.49 0.42 1.19 -1.12 0.00 0.00 0.00 175.76 176.74 1cgi s SER 113 N -1.50 6.36 0.21 0.00 0.01 -1.26 -4.69 113.70 112.82 1cgi s SER 113 Ca 0.36 -1.23 -0.31 0.00 1.31 0.00 0.00 55.95 56.07 1cgi s SER 113 Cb -0.17 -2.48 -0.15 0.00 0.21 0.00 0.00 66.02 63.43 1cgi s SER 113 CO 0.19 -1.46 1.14 0.49 0.41 0.00 0.00 173.24 174.02 1cgi n PHE 114 N 8.08 1.34 -3.08 2.43 3.01 -1.26 -4.75 117.46 123.22 1cgi n PHE 114 Ca 0.13 0.67 0.00 0.00 1.01 0.00 0.00 57.45 59.26 1cgi n PHE 114 Cb 0.48 -2.28 0.00 0.00 -0.01 0.00 0.00 39.48 37.67 1cgi n PHE 114 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 1cgi n SER 115 N 1.84 0.00 0.08 4.37 3.41 -0.22 -4.94 113.62 118.17 1cgi n SER 115 Ca 0.13 -0.16 -0.10 0.00 -0.26 0.00 0.00 58.87 58.49 1cgi n SER 115 Cb 0.27 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.17 1cgi n SER 115 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 1cgi h GLN 116 N 0.00 0.19 -0.02 4.33 4.20 -1.96 -3.31 115.11 118.54 1cgi h GLN 116 Ca 0.00 -0.24 0.00 0.00 0.06 0.00 0.00 58.65 58.47 1cgi h GLN 116 Cb 0.00 0.08 0.00 0.00 0.30 0.00 0.00 27.48 27.86 1cgi h GLN 116 CO 0.00 1.01 -0.28 0.25 -0.67 0.00 0.00 178.83 179.14 1cgi n THR 117 N -3.60 0.00 -4.38 -0.54 -2.24 -1.26 -4.00 114.28 98.26 1cgi n THR 117 Ca -0.04 -0.36 -0.22 0.00 -2.27 0.00 0.00 64.05 61.16 1cgi n THR 117 Cb 0.87 1.31 -0.16 0.00 -2.10 0.00 0.00 70.33 70.24 1cgi n THR 117 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1cgi s VAL 118 N -2.12 0.82 0.21 2.28 1.01 -1.25 -4.35 120.40 117.01 1cgi s VAL 118 Ca 0.20 -0.31 -0.21 0.00 0.00 0.00 0.00 61.98 61.65 1cgi s VAL 118 Cb 0.17 -0.78 0.07 0.00 0.00 0.00 0.00 36.38 35.84 1cgi s VAL 118 CO 0.43 0.28 1.01 -0.44 0.00 0.00 0.00 175.10 176.38 1cgi s SER 119 N 0.70 -0.00 0.32 3.32 0.01 -1.16 -1.05 113.70 115.84 1cgi s SER 119 Ca -0.12 -0.72 0.09 0.00 1.31 0.00 0.00 55.95 56.52 1cgi s SER 119 Cb -0.14 0.54 -0.05 0.00 0.21 0.00 0.00 66.02 66.57 1cgi s SER 119 CO 0.02 -1.07 -0.02 0.00 0.41 0.00 0.00 173.24 172.58 1cgi s ALA 120 N -2.22 3.14 0.13 1.44 0.00 -1.26 -2.42 121.76 120.57 1cgi s ALA 120 Ca 0.21 -1.92 -0.10 0.00 0.00 0.00 0.00 51.96 50.15 1cgi s ALA 120 Cb -0.03 -0.40 -0.06 0.00 0.00 0.00 0.00 23.12 22.63 1cgi s ALA 120 CO 0.06 0.11 0.46 0.54 0.00 0.00 0.00 175.76 176.93 1cgi s VAL 121 N -2.50 5.02 0.25 0.00 0.11 -0.23 -2.15 120.40 120.91 1cgi s VAL 121 Ca 0.34 0.49 -0.30 0.00 -2.93 0.00 0.00 61.98 59.58 1cgi s VAL 121 Cb -0.01 -3.66 -0.09 0.00 -1.53 0.00 0.00 36.38 31.09 1cgi s VAL 121 CO 0.19 0.18 1.11 0.00 -3.33 0.00 0.00 175.10 173.25 1cgi s LEU 123 N -1.17 4.40 0.00 0.00 1.43 -1.26 -0.70 118.68 121.38 1cgi s LEU 123 Ca 0.46 0.78 -0.05 0.00 -1.03 0.00 0.00 54.13 54.29 1cgi s LEU 123 Cb -0.32 -2.72 0.07 0.00 0.03 0.00 0.00 46.19 43.25 1cgi s LEU 123 CO 0.40 0.26 0.39 -0.81 0.23 0.00 0.00 176.35 176.82 1cgi n PRO 124 N 1.34 -0.42 -5.00 1.29 -0.04 -1.26 -4.86 135.00 126.05 1cgi n PRO 124 Ca -0.12 -0.61 -0.32 0.00 -0.04 0.00 0.00 63.50 62.41 1cgi n PRO 124 Cb 0.53 -0.41 -0.15 0.00 -0.04 0.00 0.00 33.50 33.42 1cgi n PRO 124 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1cgi s SER 125 N -2.45 3.61 0.36 3.54 0.15 -1.26 -4.96 113.70 112.70 1cgi s SER 125 Ca 0.22 -0.40 0.19 0.00 0.70 0.00 0.00 55.95 56.67 1cgi s SER 125 Cb -0.01 -1.29 1.28 0.00 -1.71 0.00 0.00 66.02 64.29 1cgi s SER 125 CO 0.16 0.21 1.60 0.00 1.20 0.00 0.00 173.24 176.40 1cgi h ALA 126 N 6.36 2.09 0.00 5.45 0.00 -1.93 1.37 119.26 132.60 1cgi h ALA 126 Ca -0.29 0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 1cgi h ALA 126 Cb 1.20 0.30 -0.00 0.00 0.00 0.00 0.00 17.79 19.29 1cgi h ALA 126 CO 0.51 -0.87 -0.08 0.77 0.00 0.00 0.00 179.25 179.58 1cgi h SER 127 N 0.07 0.00 -2.52 0.00 0.02 -1.96 -3.45 113.55 105.71 1cgi h SER 127 Ca 0.82 0.00 -0.60 0.00 -0.84 0.00 0.00 61.79 61.16 1cgi h SER 127 Cb 2.10 0.00 0.12 0.00 0.14 0.00 0.00 62.40 64.75 1cgi h SER 127 CO -0.74 0.08 0.08 0.47 -1.14 0.00 0.00 176.83 175.58 1cgi n ASP 128 N -4.38 1.08 -3.87 3.07 9.92 0.47 -5.01 116.55 117.82 1cgi n ASP 128 Ca -0.03 1.14 -0.30 0.00 -0.53 0.00 0.00 54.79 55.07 1cgi n ASP 128 Cb 0.16 -1.28 -0.16 0.00 -0.64 0.00 0.00 41.12 39.20 1cgi n ASP 128 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 1cgi s ASP 129 N -0.62 3.71 -0.38 -2.24 -1.08 -1.26 -5.00 116.67 109.79 1cgi s ASP 129 Ca 0.60 -1.21 -0.07 0.00 -0.52 0.00 0.00 52.55 51.35 1cgi s ASP 129 Cb -0.68 -1.03 0.06 0.00 -1.46 0.00 0.00 42.92 39.81 1cgi s ASP 129 CO 0.59 -0.28 0.18 -0.36 0.52 0.00 0.00 175.17 175.82 1cgi s PHE 130 N 1.50 3.32 0.28 -5.34 0.40 -1.26 -5.06 117.98 111.83 1cgi s PHE 130 Ca -0.02 -1.56 -0.30 0.00 -0.60 0.00 0.00 56.93 54.45 1cgi s PHE 130 Cb -0.18 -2.66 -0.12 0.00 0.51 0.00 0.00 43.02 40.57 1cgi s PHE 130 CO -0.09 -0.80 1.45 0.00 0.70 0.00 0.00 175.22 176.48 1cgi n ALA 131 N 4.84 1.70 -1.80 5.36 0.00 -1.26 -4.96 120.51 124.38 1cgi n ALA 131 Ca -0.10 0.38 -0.41 0.00 0.00 0.00 0.00 53.44 53.31 1cgi n ALA 131 Cb 0.44 -2.34 -0.03 0.00 0.00 0.00 0.00 19.45 17.51 1cgi n ALA 131 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1cgi s ALA 132 N -0.30 3.46 0.00 0.00 0.00 -1.26 -1.60 121.76 122.06 1cgi s ALA 132 Ca 0.63 1.07 0.00 0.00 0.00 0.00 0.00 51.96 53.67 1cgi s ALA 132 Cb -0.57 -3.41 0.00 0.00 0.00 0.00 0.00 23.12 19.14 1cgi s ALA 132 CO 0.53 -0.41 0.00 0.41 0.00 0.00 0.00 175.76 176.29 1cgi n GLY 133 N 1.18 0.62 3.73 0.00 0.00 -0.79 -4.99 105.19 104.95 1cgi n GLY 133 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 1cgi n GLY 133 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1cgi s THR 134 N -2.12 4.24 -0.14 2.61 2.01 -0.63 -4.79 115.64 116.83 1cgi s THR 134 Ca 0.00 1.84 -0.18 0.00 0.31 0.00 0.00 61.69 63.66 1cgi s THR 134 Cb 0.00 -4.18 -0.04 0.00 0.01 0.00 0.00 72.50 68.29 1cgi s THR 134 CO 0.00 0.27 0.49 -0.89 -0.69 0.00 0.00 174.62 173.80 1cgi s THR 135 N 0.07 5.17 0.34 -0.82 2.01 -1.26 -0.49 115.64 120.66 1cgi s THR 135 Ca 0.49 0.96 0.02 0.00 0.31 0.00 0.00 61.69 63.46 1cgi s THR 135 Cb -0.26 -3.82 -0.01 0.00 0.01 0.00 0.00 72.50 68.42 1cgi s THR 135 CO 0.32 0.29 0.06 0.00 -0.69 0.00 0.00 174.62 174.59 1cgi s VAL 137 N -2.57 0.84 0.03 0.00 1.01 -0.31 -0.13 120.40 119.27 1cgi s VAL 137 Ca 0.09 -0.48 0.07 0.00 0.00 0.00 0.00 61.98 61.65 1cgi s VAL 137 Cb 0.00 -0.71 -0.02 0.00 0.00 0.00 0.00 36.38 35.65 1cgi s VAL 137 CO 0.06 0.22 -0.21 0.28 0.00 0.00 0.00 175.10 175.45 1cgi s THR 138 N -0.29 1.65 0.03 3.92 -1.32 -0.91 0.30 115.64 119.02 1cgi s THR 138 Ca 0.04 -1.13 0.00 0.00 -1.21 0.00 0.00 61.69 59.39 1cgi s THR 138 Cb -0.04 -1.42 -0.03 0.00 -1.51 0.00 0.00 72.50 69.50 1cgi s THR 138 CO -0.00 0.26 -0.04 0.42 -2.21 0.00 0.00 174.62 173.04 1cgi s THR 139 N -0.73 0.23 -4.66 5.08 -4.23 -1.12 -2.06 115.64 108.14 1cgi s THR 139 Ca 0.07 -1.18 0.00 0.00 -1.18 0.00 0.00 61.69 59.41 1cgi s THR 139 Cb -0.09 -0.65 0.00 0.00 1.34 0.00 0.00 72.50 73.10 1cgi s THR 139 CO 0.01 -0.61 0.00 0.61 -0.54 0.00 0.00 174.62 174.09 1cgi n GLY 140 N 1.18 -2.18 1.20 3.99 0.00 -1.01 -4.38 105.19 103.98 1cgi n GLY 140 Ca -0.21 -1.26 -0.05 0.00 0.00 0.00 0.00 46.02 44.49 1cgi n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1cgi n TRP 141 N 3.25 1.13 -1.76 1.61 8.01 -1.26 -1.19 117.44 127.24 1cgi n TRP 141 Ca 0.00 -1.69 -0.30 0.00 -1.31 0.00 0.00 57.50 54.20 1cgi n TRP 141 Cb 0.00 -0.49 0.04 0.00 -2.01 0.00 0.00 31.31 28.86 1cgi n TRP 141 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.69 176.88 1cgi s GLY 142 N -2.68 1.64 0.60 6.99 0.00 -1.19 -4.17 107.32 108.52 1cgi s GLY 142 Ca 0.45 -0.16 -0.20 0.00 0.00 0.00 0.00 44.72 44.81 1cgi s GLY 142 CO -0.01 0.18 1.33 1.08 0.00 0.00 0.00 173.10 175.67 1cgi s LEU 143 N -5.42 3.69 0.04 0.66 1.43 0.57 -4.41 118.68 115.24 1cgi s LEU 143 Ca 0.58 2.70 -0.13 0.00 -1.03 0.00 0.00 54.13 56.24 1cgi s LEU 143 Cb -0.12 -4.47 -0.34 0.00 0.03 0.00 0.00 46.19 41.29 1cgi s LEU 143 CO 0.53 -1.83 1.04 0.74 0.23 0.00 0.00 176.35 177.07 1cgi h THR 144 N 0.94 1.33 -3.59 5.49 2.02 -1.93 -3.42 112.91 113.75 1cgi h THR 144 Ca -0.51 -2.77 -0.36 0.00 0.77 0.00 0.00 66.41 63.54 1cgi h THR 144 Cb 1.32 3.01 -0.32 0.00 -1.74 0.00 0.00 68.15 70.41 1cgi h THR 144 CO 0.55 0.83 -0.76 -0.13 0.37 0.00 0.00 175.52 176.37 1cgi s ARG 145 N -2.63 0.55 0.53 6.66 1.81 -1.26 -4.73 118.95 119.87 1cgi s ARG 145 Ca -0.08 -0.07 0.35 0.00 -1.72 0.00 0.00 55.73 54.22 1cgi s ARG 145 Cb 0.05 -0.61 1.51 0.00 -0.45 0.00 0.00 34.95 35.46 1cgi s ARG 145 CO 0.93 -0.05 1.79 -0.92 -0.68 0.00 0.00 175.30 176.37 1cgi h TYR 146 N 6.89 0.08 -0.07 -0.53 3.20 -1.85 0.23 116.97 124.93 1cgi h TYR 146 Ca -0.37 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.50 1cgi h TYR 146 Cb 1.16 -0.02 0.00 0.00 1.54 0.00 0.00 36.73 39.40 1cgi h TYR 146 CO 0.48 0.00 0.00 2.41 -1.64 0.00 0.00 178.16 179.41 1cgi n THR 147 N -4.23 0.13 -0.12 1.81 -1.04 -1.26 -4.03 114.28 105.54 1cgi n THR 147 Ca 0.27 -0.11 -0.21 0.00 -2.04 0.00 0.00 64.05 61.95 1cgi n THR 147 Cb 1.25 -0.03 -0.12 0.00 -1.82 0.00 0.00 70.33 69.62 1cgi n THR 147 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 1cgi n ASN 148 N -0.23 1.98 -3.51 8.00 3.02 0.82 -5.02 115.26 120.33 1cgi n ASN 148 Ca 0.03 0.03 -0.24 0.00 -0.03 0.00 0.00 54.58 54.37 1cgi n ASN 148 Cb 0.11 -0.57 0.01 0.00 -0.61 0.00 0.00 39.78 38.71 1cgi n ASN 148 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1cgi n ALA 149 N -3.50 -2.44 0.00 5.41 0.00 -1.26 -4.90 120.51 113.82 1cgi n ALA 149 Ca -0.47 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 52.84 1cgi n ALA 149 Cb 0.96 -0.84 0.00 0.00 0.00 0.00 0.00 19.45 19.57 1cgi n ALA 149 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1cgi n ASN 150 N -1.72 0.00 -4.78 0.00 5.15 -1.26 -5.17 115.26 107.48 1cgi n ASN 150 Ca -0.24 0.00 -0.36 0.00 -0.60 0.00 0.00 54.58 53.38 1cgi n ASN 150 Cb 0.59 0.00 -0.03 0.00 -0.53 0.00 0.00 39.78 39.81 1cgi n ASN 150 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 1cgi s THR 151 N 0.00 3.60 0.64 -0.44 -4.23 -1.26 -4.71 115.64 109.24 1cgi s THR 151 Ca 0.00 1.15 -0.18 0.00 -1.18 0.00 0.00 61.69 61.48 1cgi s THR 151 Cb 0.00 -3.56 -0.01 0.00 1.34 0.00 0.00 72.50 70.27 1cgi s THR 151 CO 0.00 -0.06 1.26 -2.16 -0.54 0.00 0.00 174.62 173.11 1cgi s PRO 152 N -2.75 2.61 0.01 3.99 0.04 -1.26 -4.98 135.00 132.67 1cgi s PRO 152 Ca 0.62 1.96 -0.18 0.00 0.04 0.00 0.00 61.00 63.43 1cgi s PRO 152 Cb -0.22 -1.87 -0.29 0.00 0.04 0.00 0.00 34.50 32.17 1cgi s PRO 152 CO 0.27 -1.52 1.04 -0.44 0.04 0.00 0.00 177.00 176.39 1cgi h ASP 153 N 0.53 0.69 -3.11 6.66 3.32 -1.95 -3.47 116.42 119.09 1cgi h ASP 153 Ca -0.50 -0.85 -0.59 0.00 0.02 0.00 0.00 57.03 55.11 1cgi h ASP 153 Cb 1.32 -0.22 -0.04 0.00 0.22 0.00 0.00 39.33 40.61 1cgi h ASP 153 CO 0.53 1.47 -0.31 -0.13 -1.72 0.00 0.00 179.24 179.08 1cgi s ARG 154 N -2.86 3.64 0.60 3.56 0.52 -1.26 -0.23 118.95 122.92 1cgi s ARG 154 Ca -0.11 -0.04 -0.19 0.00 -0.52 0.00 0.00 55.73 54.87 1cgi s ARG 154 Cb 0.04 -2.92 -0.03 0.00 0.52 0.00 0.00 34.95 32.56 1cgi s ARG 154 CO 0.88 0.51 1.26 -1.17 0.02 0.00 0.00 175.30 176.81 1cgi s LEU 155 N -2.37 3.67 0.22 2.53 2.96 -1.14 -4.84 118.68 119.70 1cgi s LEU 155 Ca 0.37 2.53 0.11 0.00 -0.22 0.00 0.00 54.13 56.93 1cgi s LEU 155 Cb -0.13 -4.55 -0.05 0.00 0.50 0.00 0.00 46.19 41.97 1cgi s LEU 155 CO 0.22 -1.73 -0.22 -1.10 -1.32 0.00 0.00 176.35 172.20 1cgi s GLN 156 N -3.27 1.55 0.00 1.98 -1.52 -0.33 -2.09 119.66 115.98 1cgi s GLN 156 Ca 0.78 -1.60 0.01 0.00 -1.95 0.00 0.00 55.36 52.61 1cgi s GLN 156 Cb -0.35 -1.78 -0.01 0.00 -0.22 0.00 0.00 33.01 30.66 1cgi s GLN 156 CO 0.38 0.37 -0.03 1.14 -0.25 0.00 0.00 175.29 176.89 1cgi s GLN 157 N -2.96 0.25 -0.02 2.91 -2.07 0.66 -2.41 119.66 116.02 1cgi s GLN 157 Ca 0.23 -0.20 0.05 0.00 -1.82 0.00 0.00 55.36 53.63 1cgi s GLN 157 Cb -0.07 -0.18 -0.01 0.00 -1.09 0.00 0.00 33.01 31.66 1cgi s GLN 157 CO 0.11 0.05 -0.18 0.00 -1.32 0.00 0.00 175.29 173.95 1cgi s ALA 158 N -0.31 1.51 -0.22 2.60 0.00 -0.88 -0.62 121.76 123.84 1cgi s ALA 158 Ca -0.02 -0.76 -0.12 0.00 0.00 0.00 0.00 51.96 51.06 1cgi s ALA 158 Cb -0.03 -0.41 -0.05 0.00 0.00 0.00 0.00 23.12 22.64 1cgi s ALA 158 CO -0.00 0.35 0.23 -1.12 0.00 0.00 0.00 175.76 175.22 1cgi s SER 159 N -0.33 6.23 -0.04 0.00 0.01 0.85 -2.15 113.70 118.27 1cgi s SER 159 Ca 0.05 0.26 -0.22 0.00 1.31 0.00 0.00 55.95 57.35 1cgi s SER 159 Cb -0.08 -2.14 0.04 0.00 0.21 0.00 0.00 66.02 64.05 1cgi s SER 159 CO -0.00 0.04 0.47 -1.48 0.41 0.00 0.00 173.24 172.69 1cgi s LEU 160 N 1.00 0.18 0.17 2.44 2.34 0.81 -4.48 118.68 121.14 1cgi s LEU 160 Ca 0.11 0.40 -0.07 0.00 0.06 0.00 0.00 54.13 54.64 1cgi s LEU 160 Cb -0.13 1.82 -0.06 0.00 -0.56 0.00 0.00 46.19 47.25 1cgi s LEU 160 CO 0.05 -0.50 0.44 -2.16 -1.06 0.00 0.00 176.35 173.12 1cgi s PRO 161 N -1.17 3.69 0.74 1.48 0.04 -1.26 -1.14 135.00 137.39 1cgi s PRO 161 Ca -0.12 0.06 -0.13 0.00 0.04 0.00 0.00 61.00 60.86 1cgi s PRO 161 Cb -0.03 -2.78 0.05 0.00 0.04 0.00 0.00 34.50 31.78 1cgi s PRO 161 CO 0.06 0.42 1.12 -0.51 0.04 0.00 0.00 177.00 178.13 1cgi s LEU 162 N -2.68 3.18 0.12 -3.56 1.02 0.36 -2.10 118.68 115.02 1cgi s LEU 162 Ca 0.43 2.02 0.08 0.00 0.02 0.00 0.00 54.13 56.68 1cgi s LEU 162 Cb -0.12 -4.55 -0.04 0.00 0.02 0.00 0.00 46.19 41.51 1cgi s LEU 162 CO 0.23 -2.08 -0.19 -0.76 0.02 0.00 0.00 176.35 173.57 1cgi s LEU 163 N -5.52 2.34 0.33 1.79 1.02 0.09 -1.88 118.68 116.85 1cgi s LEU 163 Ca 0.66 -0.74 -0.28 0.00 0.02 0.00 0.00 54.13 53.80 1cgi s LEU 163 Cb -0.21 -0.81 -0.09 0.00 0.02 0.00 0.00 46.19 45.10 1cgi s LEU 163 CO 0.49 0.01 1.10 -0.94 0.02 0.00 0.00 176.35 177.03 1cgi s SER 164 N -2.14 7.02 0.27 2.29 1.04 -1.26 -4.14 113.70 116.78 1cgi s SER 164 Ca 0.08 2.24 0.00 0.00 0.48 0.00 0.00 55.95 58.76 1cgi s SER 164 Cb -0.08 -2.62 0.60 0.00 0.10 0.00 0.00 66.02 64.02 1cgi s SER 164 CO 0.05 -0.31 1.71 0.78 0.98 0.00 0.00 173.24 176.44 1cgi h ASN 165 N 3.32 0.31 -0.76 7.02 -0.26 -1.96 0.38 115.58 123.63 1cgi h ASN 165 Ca -0.47 0.13 0.06 0.00 -0.56 0.00 0.00 56.30 55.46 1cgi h ASN 165 Cb 1.22 0.11 -0.06 0.00 -1.06 0.00 0.00 38.32 38.53 1cgi h ASN 165 CO 0.65 0.05 0.44 0.74 -1.06 0.00 0.00 177.43 178.26 1cgi h THR 166 N 0.43 0.99 0.00 2.81 2.02 -2.00 0.14 112.91 117.30 1cgi h THR 166 Ca 0.49 -0.28 0.00 0.00 0.77 0.00 0.00 66.41 67.40 1cgi h THR 166 Cb 0.86 0.11 0.00 0.00 -1.74 0.00 0.00 68.15 67.38 1cgi h THR 166 CO -0.47 0.15 -0.48 -3.20 0.37 0.00 0.00 175.52 171.88 1cgi n ASN 167 N -4.72 0.72 0.10 4.18 4.05 -0.06 -3.57 115.26 115.96 1cgi n ASN 167 Ca 0.11 0.21 -0.20 0.00 0.45 0.00 0.00 54.58 55.15 1cgi n ASN 167 Cb 0.19 -0.05 -0.15 0.00 1.23 0.00 0.00 39.78 41.00 1cgi n ASN 167 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1cgi h LYS 169 N 0.10 0.00 -0.67 0.00 1.57 -0.81 0.14 116.57 116.90 1cgi h LYS 169 Ca -0.24 0.00 0.12 0.00 -1.87 0.00 0.00 60.65 58.66 1cgi h LYS 169 Cb 2.07 0.00 -0.09 0.00 0.08 0.00 0.00 32.23 34.29 1cgi h LYS 169 CO 0.21 0.00 0.23 0.87 -0.57 0.00 0.00 179.45 180.19 1cgi h LYS 170 N 0.00 0.37 0.09 3.15 1.57 -1.63 1.90 116.57 122.02 1cgi h LYS 170 Ca 0.36 -0.02 -0.31 0.00 -1.87 0.00 0.00 60.65 58.80 1cgi h LYS 170 Cb 1.51 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 33.72 1cgi h LYS 170 CO -0.00 0.25 -1.63 1.88 -0.57 0.00 0.00 179.45 179.38 1cgi h TYR 171 N 0.38 0.36 0.00 -1.35 -1.99 -0.94 -3.41 116.97 110.02 1cgi h TYR 171 Ca 0.36 -0.26 0.00 0.00 2.00 0.00 0.00 58.73 60.83 1cgi h TYR 171 Cb 0.51 -0.01 0.00 0.00 2.00 0.00 0.00 36.73 39.23 1cgi h TYR 171 CO -0.19 1.37 -0.77 0.91 -0.00 0.00 0.00 178.16 179.48 1cgi n TRP 172 N -3.38 0.00 -1.17 4.88 7.02 -0.53 -5.08 117.44 119.18 1cgi n TRP 172 Ca -0.19 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.29 1cgi n TRP 172 Cb 1.04 -0.04 0.00 0.00 -2.42 0.00 0.00 31.31 29.89 1cgi n TRP 172 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1cgi n GLY 173 N 1.87 2.49 0.22 6.99 0.00 0.64 -1.80 105.19 115.60 1cgi n GLY 173 Ca -0.00 -0.19 0.07 0.00 0.00 0.00 0.00 46.02 45.90 1cgi n GLY 173 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1cgi h THR 174 N 0.00 0.00 -0.10 2.61 1.35 -1.97 -2.70 112.91 112.10 1cgi h THR 174 Ca 0.00 0.00 -0.00 0.00 -0.55 0.00 0.00 66.41 65.86 1cgi h THR 174 Cb 0.00 0.31 -0.00 0.00 -1.73 0.00 0.00 68.15 66.72 1cgi h THR 174 CO 0.00 0.00 0.04 0.11 -0.25 0.00 0.00 175.52 175.42 1cgi h LYS 175 N 0.00 0.14 -6.07 4.72 1.57 -1.75 -3.43 116.57 111.75 1cgi h LYS 175 Ca 0.00 -0.02 -0.71 0.00 -1.87 0.00 0.00 60.65 58.05 1cgi h LYS 175 Cb 0.87 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 33.15 1cgi h LYS 175 CO 0.00 0.24 1.18 -0.89 -0.57 0.00 0.00 179.45 179.41 1cgi n ILE 176 N -4.94 0.24 -2.88 1.86 2.08 -1.02 -4.97 119.36 109.74 1cgi n ILE 176 Ca -0.06 -0.14 -0.02 0.00 0.56 0.00 0.00 62.75 63.09 1cgi n ILE 176 Cb 0.10 -1.38 0.01 0.00 -0.75 0.00 0.00 39.64 37.63 1cgi n ILE 176 CO 0.00 0.00 0.00 0.29 0.56 0.00 0.00 176.55 177.40 1cgi n LYS 177 N 6.91 0.88 0.09 0.38 4.76 -1.26 -5.03 118.16 124.90 1cgi n LYS 177 Ca 0.36 -0.34 -0.21 0.00 -2.87 0.00 0.00 58.31 55.24 1cgi n LYS 177 Cb 0.17 -0.04 -0.15 0.00 -1.84 0.00 0.00 35.03 33.17 1cgi n LYS 177 CO 0.00 0.00 0.00 -0.44 -1.37 0.00 0.00 177.40 175.59 1cgi h ASP 178 N -0.00 0.60 -0.52 4.39 3.32 -2.00 -3.22 116.42 118.99 1cgi h ASP 178 Ca -0.03 -0.78 -0.30 0.00 0.02 0.00 0.00 57.03 55.93 1cgi h ASP 178 Cb 0.14 -0.20 -0.16 0.00 0.22 0.00 0.00 39.33 39.34 1cgi h ASP 178 CO 0.04 1.64 0.39 0.00 -1.72 0.00 0.00 179.24 179.59 1cgi n ALA 179 N -2.74 4.57 -2.85 3.45 0.00 -1.26 -4.80 120.51 116.88 1cgi n ALA 179 Ca -0.19 -1.62 -0.13 0.00 0.00 0.00 0.00 53.44 51.50 1cgi n ALA 179 Cb 1.07 -1.30 -0.13 0.00 0.00 0.00 0.00 19.45 19.09 1cgi n ALA 179 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1cgi s MET 180 N -1.82 0.38 0.01 0.00 -1.94 -1.22 -1.90 119.30 112.81 1cgi s MET 180 Ca 0.31 -0.43 0.00 0.00 -1.71 0.00 0.00 55.69 53.86 1cgi s MET 180 Cb 0.25 -0.23 -0.01 0.00 2.01 0.00 0.00 34.83 36.86 1cgi s MET 180 CO 0.03 0.05 -0.02 -1.50 -0.01 0.00 0.00 175.02 173.57 1cgi s ILE 181 N -0.77 0.14 0.20 2.53 2.07 -0.82 -4.70 121.20 119.85 1cgi s ILE 181 Ca -0.05 -0.28 0.10 0.00 -1.41 0.00 0.00 60.65 59.00 1cgi s ILE 181 Cb -0.06 -0.17 -0.04 0.00 0.13 0.00 0.00 42.46 42.32 1cgi s ILE 181 CO -0.00 -0.09 -0.14 0.00 -1.91 0.00 0.00 174.94 172.80 1cgi s ALA 183 N -1.83 -1.24 0.00 0.00 0.00 -0.92 -0.73 121.76 117.04 1cgi s ALA 183 Ca 0.25 1.18 0.00 0.00 0.00 0.00 0.00 51.96 53.38 1cgi s ALA 183 Cb -0.08 -0.50 0.00 0.00 0.00 0.00 0.00 23.12 22.54 1cgi s ALA 183 CO 0.14 -0.27 0.00 0.41 0.00 0.00 0.00 175.76 176.05 1cgi n GLY 184 N 2.17 0.35 2.20 0.00 0.00 -0.89 -2.05 105.19 106.96 1cgi n GLY 184 Ca -0.16 -2.14 -0.08 0.00 0.00 0.00 0.00 46.02 43.64 1cgi n GLY 184 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1cgi n ALA 185 N -0.98 -0.18 -0.26 4.61 0.00 -1.16 -4.67 120.51 117.87 1cgi n ALA 185 Ca 0.00 0.10 0.01 0.00 0.00 0.00 0.00 53.44 53.55 1cgi n ALA 185 Cb 0.00 -1.13 0.02 0.00 0.00 0.00 0.00 19.45 18.33 1cgi n ALA 185 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1cgi n SER 186 N 0.57 1.78 0.00 0.00 3.41 -1.02 -4.61 113.62 113.76 1cgi n SER 186 Ca -0.09 -2.01 0.00 0.00 -0.26 0.00 0.00 58.87 56.51 1cgi n SER 186 Cb 0.42 -0.05 0.00 0.00 -0.26 0.00 0.00 64.21 64.32 1cgi n SER 186 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1cgi n GLY 187 N -0.54 0.88 2.99 5.00 0.00 -0.35 -4.87 105.19 108.31 1cgi n GLY 187 Ca 0.02 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.90 1cgi n GLY 187 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1cgi s VAL 188 N -2.00 0.37 -0.03 1.61 1.01 -1.25 -1.77 120.40 118.34 1cgi s VAL 188 Ca 0.00 -0.63 -0.09 0.00 0.00 0.00 0.00 61.98 61.26 1cgi s VAL 188 Cb 0.00 -0.40 0.01 0.00 0.00 0.00 0.00 36.38 35.99 1cgi s VAL 188 CO 0.00 -0.18 0.19 -0.55 0.00 0.00 0.00 175.10 174.56 1cgi s SER 189 N -0.87 -0.09 0.28 3.32 0.15 -1.26 -4.18 113.70 111.04 1cgi s SER 189 Ca -0.06 0.06 -0.24 0.00 0.70 0.00 0.00 55.95 56.41 1cgi s SER 189 Cb -0.06 0.30 -0.09 0.00 -1.71 0.00 0.00 66.02 64.46 1cgi s SER 189 CO -0.00 -0.29 0.86 -0.44 1.20 0.00 0.00 173.24 174.58 1cgi s SER 190 N -0.88 7.25 0.28 5.45 0.01 -1.26 -4.94 113.70 119.61 1cgi s SER 190 Ca -0.10 1.69 0.03 0.00 1.31 0.00 0.00 55.95 58.88 1cgi s SER 190 Cb -0.05 -2.52 -0.03 0.00 0.21 0.00 0.00 66.02 63.62 1cgi s SER 190 CO 0.02 -0.02 0.24 0.00 0.41 0.00 0.00 173.24 173.89 1cgi n MET 192 N -0.47 0.00 0.00 0.00 2.81 -1.26 -1.10 117.12 117.10 1cgi n MET 192 Ca 0.05 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.94 1cgi n MET 192 Cb 0.64 -1.46 0.00 0.00 -0.71 0.00 0.00 33.22 31.69 1cgi n MET 192 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1cgi n GLY 193 N 5.12 0.97 0.03 3.03 0.00 -1.26 -0.32 105.19 112.76 1cgi n GLY 193 Ca 0.39 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.47 1cgi n GLY 193 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1cgi n ASP 194 N 0.00 0.36 -4.55 1.61 8.00 -0.25 -3.15 116.55 118.57 1cgi n ASP 194 Ca 0.00 0.00 -0.52 0.00 0.71 0.00 0.00 54.79 54.98 1cgi n ASP 194 Cb 0.00 1.74 -0.05 0.00 -0.02 0.00 0.00 41.12 42.79 1cgi n ASP 194 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1cgi n SER 195 N -2.30 0.84 0.00 -2.24 7.64 -1.26 -2.12 113.62 114.18 1cgi n SER 195 Ca -0.09 1.14 0.00 0.00 1.01 0.00 0.00 58.87 60.93 1cgi n SER 195 Cb 0.64 -1.12 0.00 0.00 -1.01 0.00 0.00 64.21 62.72 1cgi n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1cgi n GLY 196 N 2.00 2.56 3.60 0.23 0.00 -0.85 -0.54 105.19 112.19 1cgi n GLY 196 Ca 0.17 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.90 1cgi n GLY 196 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1cgi n GLY 197 N -2.00 -2.12 3.91 -0.02 0.00 -0.90 -3.59 105.19 100.46 1cgi n GLY 197 Ca 0.00 -1.60 -0.28 0.00 0.00 0.00 0.00 46.02 44.13 1cgi n GLY 197 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1cgi s PRO 198 N -5.64 3.62 -0.30 1.61 0.04 -1.26 -1.92 135.00 131.14 1cgi s PRO 198 Ca 0.72 -0.04 0.02 0.00 0.04 0.00 0.00 61.00 61.74 1cgi s PRO 198 Cb -0.04 -2.66 0.09 0.00 0.04 0.00 0.00 34.50 31.93 1cgi s PRO 198 CO 0.52 0.22 0.03 -1.17 0.04 0.00 0.00 177.00 176.65 1cgi s LEU 199 N -3.58 3.37 -0.20 -3.56 2.96 -0.89 -2.81 118.68 113.97 1cgi s LEU 199 Ca 0.43 -1.72 -0.02 0.00 -0.22 0.00 0.00 54.13 52.60 1cgi s LEU 199 Cb -0.11 -1.27 0.00 0.00 0.50 0.00 0.00 46.19 45.32 1cgi s LEU 199 CO 0.30 -0.35 -0.11 0.68 -1.32 0.00 0.00 176.35 175.55 1cgi s VAL 200 N 1.26 2.79 -0.11 1.68 -7.23 0.15 -0.50 120.40 118.44 1cgi s VAL 200 Ca 0.06 -0.69 -0.00 0.00 -1.81 0.00 0.00 61.98 59.53 1cgi s VAL 200 Cb -0.18 -2.23 -0.02 0.00 0.56 0.00 0.00 36.38 34.50 1cgi s VAL 200 CO -0.13 0.48 -0.09 0.00 -0.31 0.00 0.00 175.10 175.05 1cgi s LYS 202 N -0.10 4.35 -0.29 0.00 2.20 -1.26 0.24 119.74 124.88 1cgi s LYS 202 Ca -0.00 1.00 -0.00 0.00 -0.36 0.00 0.00 55.97 56.61 1cgi s LYS 202 Cb -0.13 -3.53 0.09 0.00 -1.51 0.00 0.00 37.83 32.74 1cgi s LYS 202 CO 0.03 -0.21 0.06 0.21 -0.36 0.00 0.00 175.35 175.08 1cgi s LYS 203 N 1.73 0.95 -1.49 4.03 2.20 0.33 -4.88 119.74 122.61 1cgi s LYS 203 Ca 0.39 -1.09 -0.06 0.00 -0.36 0.00 0.00 55.97 54.85 1cgi s LYS 203 Cb -0.17 -2.27 0.01 0.00 -1.51 0.00 0.00 37.83 33.89 1cgi s LYS 203 CO 0.15 -0.87 0.79 0.09 -0.36 0.00 0.00 175.35 175.15 1cgi n ASN 204 N 4.76 -6.22 0.00 1.43 3.02 -1.26 -2.25 115.26 114.74 1cgi n ASN 204 Ca -0.04 -0.37 0.00 0.00 -0.03 0.00 0.00 54.58 54.15 1cgi n ASN 204 Cb 0.43 -4.97 0.00 0.00 -0.61 0.00 0.00 39.78 34.63 1cgi n ASN 204 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1cgi n GLY 205 N -1.68 2.67 3.80 7.41 0.00 -1.26 -5.05 105.19 111.08 1cgi n GLY 205 Ca -0.07 -0.40 -0.37 0.00 0.00 0.00 0.00 46.02 45.18 1cgi n GLY 205 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1cgi s ALA 206 N -1.77 3.36 -0.23 4.61 0.00 -0.96 -4.77 121.76 122.00 1cgi s ALA 206 Ca 0.00 0.31 -0.18 0.00 0.00 0.00 0.00 51.96 52.10 1cgi s ALA 206 Cb 0.00 -2.96 -0.03 0.00 0.00 0.00 0.00 23.12 20.13 1cgi s ALA 206 CO 0.00 0.27 0.49 -1.58 0.00 0.00 0.00 175.76 174.95 1cgi s TRP 207 N -1.48 3.32 -0.15 0.00 0.52 -0.43 0.12 118.94 120.83 1cgi s TRP 207 Ca 0.44 0.67 0.00 0.00 0.02 0.00 0.00 56.10 57.23 1cgi s TRP 207 Cb -0.19 -2.67 -0.00 0.00 -1.15 0.00 0.00 33.47 29.47 1cgi s TRP 207 CO 0.23 -0.18 -0.16 0.99 0.02 0.00 0.00 176.95 177.85 1cgi s THR 208 N 1.92 2.64 -0.70 2.01 2.01 0.14 -2.51 115.64 121.15 1cgi s THR 208 Ca 0.21 -0.78 -0.25 0.00 0.31 0.00 0.00 61.69 61.18 1cgi s THR 208 Cb -0.15 -2.11 -0.13 0.00 0.01 0.00 0.00 72.50 70.11 1cgi s THR 208 CO 0.09 0.52 2.42 -0.11 -0.69 0.00 0.00 174.62 176.85 1cgi n LEU 209 N 4.00 1.62 -0.09 4.42 7.94 0.12 -2.05 117.00 132.97 1cgi n LEU 209 Ca -0.19 -0.88 -0.11 0.00 -1.11 0.00 0.00 56.01 53.71 1cgi n LEU 209 Cb 0.52 -1.48 -0.15 0.00 0.53 0.00 0.00 43.42 42.84 1cgi n LEU 209 CO 0.29 -1.96 -1.07 0.52 -1.11 0.00 0.00 177.39 174.06 1cgi n VAL 210 N 8.10 1.45 -4.12 1.96 0.31 0.35 -4.14 118.33 122.24 1cgi n VAL 210 Ca 0.46 -0.80 -0.11 0.00 -0.01 0.00 0.00 64.34 63.89 1cgi n VAL 210 Cb 0.42 -0.74 -0.08 0.00 -0.91 0.00 0.00 33.84 32.53 1cgi n VAL 210 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 1cgi s GLY 211 N -5.59 1.07 -0.07 2.92 0.00 -0.72 -2.14 107.32 102.79 1cgi s GLY 211 Ca -0.13 -1.38 0.03 0.00 0.00 0.00 0.00 44.72 43.24 1cgi s GLY 211 CO 0.79 -1.12 -0.16 -0.42 0.00 0.00 0.00 173.10 172.20 1cgi s ILE 212 N -4.10 1.41 0.13 0.90 1.09 -0.97 -2.09 121.20 117.57 1cgi s ILE 212 Ca 0.32 -0.65 -0.32 0.00 -1.10 0.00 0.00 60.65 58.90 1cgi s ILE 212 Cb 0.04 -1.25 -0.12 0.00 -1.06 0.00 0.00 42.46 40.07 1cgi s ILE 212 CO 0.10 0.41 1.77 0.52 -0.10 0.00 0.00 174.94 177.64 1cgi n VAL 213 N 3.65 0.23 0.00 2.92 0.31 -0.81 -1.03 118.33 123.61 1cgi n VAL 213 Ca -0.21 -0.04 0.00 0.00 -0.01 0.00 0.00 64.34 64.08 1cgi n VAL 213 Cb 0.52 -1.95 0.00 0.00 -0.91 0.00 0.00 33.84 31.50 1cgi n VAL 213 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1cgi n SER 214 N 4.92 0.00 -3.34 4.52 2.88 -0.84 -2.02 113.62 119.74 1cgi n SER 214 Ca 0.18 0.00 -0.17 0.00 -1.33 0.00 0.00 58.87 57.55 1cgi n SER 214 Cb 0.34 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.74 1cgi n SER 214 CO 0.00 0.00 0.00 -1.66 -1.23 0.00 0.00 175.04 172.15 1cgi s TRP 215 N 0.00 1.42 -1.97 0.66 1.48 -1.04 -4.88 118.94 114.62 1cgi s TRP 215 Ca 0.00 -1.49 0.00 0.00 -1.06 0.00 0.00 56.10 53.55 1cgi s TRP 215 Cb 0.00 -0.43 0.00 0.00 -1.16 0.00 0.00 33.47 31.88 1cgi s TRP 215 CO 0.00 -0.98 0.00 0.41 -4.06 0.00 0.00 176.95 172.32 1cgi n GLY 216 N -0.58 -0.58 3.60 3.67 0.00 -1.26 -0.61 105.19 109.42 1cgi n GLY 216 Ca 0.04 -0.70 -0.48 0.00 0.00 0.00 0.00 46.02 44.88 1cgi n GLY 216 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1cgi n SER 217 N 0.00 1.71 0.00 1.61 2.88 -1.26 -4.81 113.62 113.75 1cgi n SER 217 Ca 0.00 1.14 0.12 0.00 -1.33 0.00 0.00 58.87 58.80 1cgi n SER 217 Cb 0.00 -1.26 0.56 0.00 -0.75 0.00 0.00 64.21 62.76 1cgi n SER 217 CO 0.00 0.00 0.00 -1.28 -1.23 0.00 0.00 175.04 172.53 1cgi h SER 218 N 3.77 0.23 -0.09 -3.46 0.87 -1.99 -2.85 113.55 110.03 1cgi h SER 218 Ca -0.44 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.12 1cgi h SER 218 Cb 1.33 -0.05 0.00 0.00 -0.44 0.00 0.00 62.40 63.24 1cgi h SER 218 CO 0.73 0.15 0.00 0.41 -0.53 0.00 0.00 176.83 177.58 1cgi n THR 219 N -4.46 1.92 -3.77 2.23 -1.04 -1.26 -5.00 114.28 102.90 1cgi n THR 219 Ca 0.07 -2.02 -0.26 0.00 -2.04 0.00 0.00 64.05 59.80 1cgi n THR 219 Cb 0.35 -0.17 0.04 0.00 -1.82 0.00 0.00 70.33 68.73 1cgi n THR 219 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1cgi s SER 221 N -3.69 6.52 0.00 0.00 0.15 -1.26 -4.68 113.70 110.73 1cgi s SER 221 Ca 0.41 2.33 0.18 0.00 0.70 0.00 0.00 55.95 59.57 1cgi s SER 221 Cb -0.20 -2.53 0.89 0.00 -1.71 0.00 0.00 66.02 62.47 1cgi s SER 221 CO 0.80 -1.04 1.55 0.35 1.20 0.00 0.00 173.24 176.10 1cgi n THR 222 N 5.67 0.51 0.51 6.45 -2.24 -1.26 -2.35 114.28 121.57 1cgi n THR 222 Ca 0.19 0.13 0.06 0.00 -2.27 0.00 0.00 64.05 62.16 1cgi n THR 222 Cb 0.42 -0.83 0.05 0.00 -2.10 0.00 0.00 70.33 67.87 1cgi n THR 222 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1cgi n SER 223 N -1.32 1.95 -4.35 3.42 3.41 -1.26 -1.21 113.62 114.27 1cgi n SER 223 Ca 0.08 -1.48 -0.31 0.00 -0.26 0.00 0.00 58.87 56.91 1cgi n SER 223 Cb 0.15 0.05 -0.15 0.00 -0.26 0.00 0.00 64.21 64.00 1cgi n SER 223 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1cgi s THR 224 N -1.07 2.23 0.38 6.66 2.01 -0.99 -4.70 115.64 120.16 1cgi s THR 224 Ca 0.14 -1.19 -0.24 0.00 0.31 0.00 0.00 61.69 60.70 1cgi s THR 224 Cb 0.10 -1.83 -0.09 0.00 0.01 0.00 0.00 72.50 70.69 1cgi s THR 224 CO 0.17 0.48 1.03 -2.16 -0.69 0.00 0.00 174.62 173.45 1cgi s PRO 225 N -0.93 4.25 0.06 4.92 0.04 -1.26 -2.98 135.00 139.10 1cgi s PRO 225 Ca 0.11 1.48 -0.16 0.00 0.04 0.00 0.00 61.00 62.47 1cgi s PRO 225 Cb -0.10 -2.59 -0.06 0.00 0.04 0.00 0.00 34.50 31.79 1cgi s PRO 225 CO 0.01 -0.06 0.49 0.20 0.04 0.00 0.00 177.00 177.68 1cgi s GLY 226 N -1.57 2.54 -0.05 0.56 0.00 -0.87 -4.51 107.32 103.41 1cgi s GLY 226 Ca 0.56 -0.12 0.00 0.00 0.00 0.00 0.00 44.72 45.17 1cgi s GLY 226 CO 0.27 0.24 -0.03 0.14 0.00 0.00 0.00 173.10 173.73 1cgi s VAL 227 N -1.19 4.03 0.00 1.40 1.01 0.22 -2.16 120.40 123.70 1cgi s VAL 227 Ca 0.29 -0.45 0.03 0.00 0.00 0.00 0.00 61.98 61.85 1cgi s VAL 227 Cb -0.17 -2.71 -0.01 0.00 0.00 0.00 0.00 36.38 33.49 1cgi s VAL 227 CO 0.17 0.53 -0.10 -0.31 0.00 0.00 0.00 175.10 175.39 1cgi s TYR 228 N -0.92 0.87 0.28 5.22 1.51 -0.60 -2.00 117.35 121.71 1cgi s TYR 228 Ca 0.15 -0.20 -0.30 0.00 -1.01 0.00 0.00 57.07 55.70 1cgi s TYR 228 Cb -0.11 -0.55 -0.12 0.00 -0.11 0.00 0.00 41.96 41.07 1cgi s TYR 228 CO 0.04 -0.01 1.59 0.00 -1.11 0.00 0.00 175.55 176.06 1cgi n ALA 229 N 2.65 2.42 -2.62 3.71 0.00 -0.19 -1.95 120.51 124.54 1cgi n ALA 229 Ca -0.15 0.38 -0.42 0.00 0.00 0.00 0.00 53.44 53.25 1cgi n ALA 229 Cb 0.56 -2.45 -0.03 0.00 0.00 0.00 0.00 19.45 17.53 1cgi n ALA 229 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 1cgi s ARG 230 N -0.37 3.37 0.09 0.00 3.52 -0.80 -2.28 118.95 122.48 1cgi s ARG 230 Ca 0.65 -0.07 -0.29 0.00 -0.13 0.00 0.00 55.73 55.90 1cgi s ARG 230 Cb -0.51 -4.07 -0.14 0.00 -1.56 0.00 0.00 34.95 28.66 1cgi s ARG 230 CO 0.47 -1.72 1.66 0.28 -0.81 0.00 0.00 175.30 175.18 1cgi h VAL 231 N 6.08 0.51 -0.92 7.11 2.07 -1.71 -3.01 116.25 126.38 1cgi h VAL 231 Ca -0.26 0.00 0.27 0.00 0.82 0.00 0.00 66.70 67.53 1cgi h VAL 231 Cb 1.06 0.51 -0.04 0.00 -1.52 0.00 0.00 31.29 31.31 1cgi h VAL 231 CO 1.18 0.00 0.82 0.71 0.02 0.00 0.00 177.57 180.29 1cgi h THR 232 N -0.55 0.29 -0.01 2.57 1.35 -1.83 0.18 112.91 114.90 1cgi h THR 232 Ca -0.03 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.83 1cgi h THR 232 Cb 0.47 0.39 0.00 0.00 -1.73 0.00 0.00 68.15 67.28 1cgi h THR 232 CO 0.01 0.00 -0.27 0.00 -0.25 0.00 0.00 175.52 175.02 1cgi n ALA 233 N -2.52 3.10 -0.22 6.62 0.00 -1.14 -3.88 120.51 122.47 1cgi n ALA 233 Ca 0.20 -0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.20 1cgi n ALA 233 Cb 1.12 -1.10 0.00 0.00 0.00 0.00 0.00 19.45 19.48 1cgi n ALA 233 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1cgi n LEU 234 N -0.53 0.23 0.05 0.00 4.32 0.07 -4.88 117.00 116.26 1cgi n LEU 234 Ca 0.12 -0.37 0.00 0.00 -0.02 0.00 0.00 56.01 55.74 1cgi n LEU 234 Cb 0.36 0.00 0.31 0.00 -1.62 0.00 0.00 43.42 42.47 1cgi n LEU 234 CO 0.26 0.06 0.87 1.62 -1.22 0.00 0.00 177.39 178.98 1cgi h VAL 235 N 0.22 1.21 -0.15 4.08 3.04 -0.91 -2.73 116.25 121.00 1cgi h VAL 235 Ca 0.00 -0.89 -0.05 0.00 -1.01 0.00 0.00 66.70 64.75 1cgi h VAL 235 Cb 0.11 1.14 -0.00 0.00 -2.01 0.00 0.00 31.29 30.53 1cgi h VAL 235 CO 0.00 0.29 -0.10 0.78 -1.01 0.00 0.00 177.57 177.53 1cgi h ASN 236 N 0.38 0.35 -0.81 3.17 2.35 -1.85 -1.78 115.58 117.39 1cgi h ASN 236 Ca 0.08 -0.44 0.16 0.00 -0.55 0.00 0.00 56.30 55.55 1cgi h ASN 236 Cb 0.42 -0.10 -0.06 0.00 0.05 0.00 0.00 38.32 38.64 1cgi h ASN 236 CO 0.02 0.71 0.54 -0.25 -1.65 0.00 0.00 177.43 176.80 1cgi h TRP 237 N -0.01 0.52 0.38 1.19 7.01 -1.87 0.29 115.95 123.46 1cgi h TRP 237 Ca 0.03 0.02 -0.02 0.00 2.11 0.00 0.00 58.89 61.03 1cgi h TRP 237 Cb 0.59 -0.16 0.00 0.00 -2.10 0.00 0.00 29.16 27.49 1cgi h TRP 237 CO 0.07 0.18 -0.18 0.28 -2.79 0.00 0.00 178.44 176.00 1cgi h VAL 238 N 0.43 0.63 -0.46 2.65 2.07 -1.10 -2.39 116.25 118.09 1cgi h VAL 238 Ca 0.41 -0.13 0.09 0.00 0.82 0.00 0.00 66.70 67.89 1cgi h VAL 238 Cb 0.94 0.70 -0.09 0.00 -1.52 0.00 0.00 31.29 31.32 1cgi h VAL 238 CO -0.14 0.03 -0.14 1.56 0.02 0.00 0.00 177.57 178.89 1cgi h GLN 239 N -0.58 -0.04 -0.55 1.57 1.08 -0.16 -2.71 115.11 113.73 1cgi h GLN 239 Ca -0.05 0.00 0.03 0.00 -1.45 0.00 0.00 58.65 57.18 1cgi h GLN 239 Cb 0.43 0.01 -0.04 0.00 -0.05 0.00 0.00 27.48 27.83 1cgi h GLN 239 CO 0.09 -0.02 0.31 0.37 -0.95 0.00 0.00 178.83 178.63 1cgi h GLN 240 N -0.04 0.60 -0.00 1.46 4.15 -1.21 -2.39 115.11 117.68 1cgi h GLN 240 Ca 0.22 -0.04 -0.16 0.00 0.77 0.00 0.00 58.65 59.44 1cgi h GLN 240 Cb 0.38 -0.13 -0.02 0.00 0.21 0.00 0.00 27.48 27.91 1cgi h GLN 240 CO -0.49 0.40 -0.77 1.15 -1.93 0.00 0.00 178.83 177.18 1cgi h THR 241 N 0.62 1.55 -0.04 2.39 2.02 -1.34 -2.12 112.91 115.99 1cgi h THR 241 Ca 0.23 -2.64 -0.17 0.00 0.77 0.00 0.00 66.41 64.60 1cgi h THR 241 Cb 0.07 2.43 -0.01 0.00 -1.74 0.00 0.00 68.15 68.89 1cgi h THR 241 CO -0.12 0.76 -0.71 0.25 0.37 0.00 0.00 175.52 176.07 1cgi h LEU 242 N 0.00 0.28 0.03 2.58 5.85 -1.44 -2.82 115.31 119.78 1cgi h LEU 242 Ca -0.01 -0.18 -0.05 0.00 0.84 0.00 0.00 57.88 58.48 1cgi h LEU 242 Cb 1.36 -0.08 0.01 0.00 0.37 0.00 0.00 40.66 42.32 1cgi h LEU 242 CO 0.10 0.89 -0.20 0.00 -0.34 0.00 0.00 178.44 178.89 1cgi h ALA 243 N 1.10 -0.01 -0.23 1.25 0.00 -1.46 -3.32 119.26 116.58 1cgi h ALA 243 Ca -0.02 -0.52 0.00 0.00 0.00 0.00 0.00 54.91 54.37 1cgi h ALA 243 Cb 1.26 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.07 1cgi h ALA 243 CO 0.11 0.08 0.00 0.00 0.00 0.00 0.00 179.25 179.44 1cgi n ALA 244 N -2.60 2.65 -1.32 0.00 0.00 -0.80 -5.10 120.51 113.35 1cgi n ALA 244 Ca -0.11 -0.52 0.00 0.00 0.00 0.00 0.00 53.44 52.81 1cgi n ALA 244 Cb 0.54 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.99 1cgi n ALA 244 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59