#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gf6 s VAL 7 N 0.00 2.98 -0.03 2.97 1.01 -1.26 -0.76 120.40 125.31 2gf6 s VAL 7 Ca 0.00 -0.69 0.03 0.00 0.00 0.00 0.00 61.98 61.32 2gf6 s VAL 7 Cb 0.00 -2.24 0.00 0.00 0.00 0.00 0.00 36.38 34.14 2gf6 s VAL 7 CO 0.00 0.53 -0.11 0.12 0.00 0.00 0.00 175.10 175.63 2gf6 s PHE 8 N 0.32 1.19 -0.05 5.22 5.36 -0.33 -5.00 117.98 124.70 2gf6 s PHE 8 Ca -0.11 -0.33 -0.04 0.00 -0.96 0.00 0.00 56.93 55.50 2gf6 s PHE 8 Cb -0.16 -0.84 -0.04 0.00 -0.34 0.00 0.00 43.02 41.64 2gf6 s PHE 8 CO 0.06 -0.13 0.14 -1.21 -1.46 0.00 0.00 175.22 172.62 2gf6 s GLU 9 N 0.20 3.35 0.26 10.12 2.02 -1.26 -0.35 118.70 133.05 2gf6 s GLU 9 Ca -0.04 -0.29 -0.07 0.00 0.02 0.00 0.00 54.97 54.59 2gf6 s GLU 9 Cb -0.10 -3.07 -0.01 0.00 0.10 0.00 0.00 34.13 31.04 2gf6 s GLU 9 CO 0.01 0.71 0.39 0.34 0.02 0.00 0.00 175.26 176.73 2gf6 s ASP 10 N -1.54 0.29 0.01 -0.19 -1.08 -0.72 -4.98 116.67 108.45 2gf6 s ASP 10 Ca 0.22 -1.22 0.01 0.00 -0.52 0.00 0.00 52.55 51.04 2gf6 s ASP 10 Cb -0.12 0.56 -0.01 0.00 -1.46 0.00 0.00 42.92 41.89 2gf6 s ASP 10 CO 0.12 -1.11 -0.03 -0.69 0.52 0.00 0.00 175.17 173.98 2gf6 s VAL 11 N -3.77 0.21 -0.13 1.11 1.01 -1.26 -0.78 120.40 116.79 2gf6 s VAL 11 Ca 0.29 -0.41 -0.27 0.00 0.00 0.00 0.00 61.98 61.59 2gf6 s VAL 11 Cb 0.01 -0.24 -0.01 0.00 0.00 0.00 0.00 36.38 36.14 2gf6 s VAL 11 CO 0.13 -0.13 0.91 -0.69 0.00 0.00 0.00 175.10 175.32 2gf6 s VAL 12 N -0.55 4.84 0.39 2.92 1.01 0.12 -4.96 120.40 124.17 2gf6 s VAL 12 Ca -0.04 1.83 0.08 0.00 0.00 0.00 0.00 61.98 63.85 2gf6 s VAL 12 Cb -0.04 -4.22 -0.05 0.00 0.00 0.00 0.00 36.38 32.07 2gf6 s VAL 12 CO -0.00 0.03 0.17 -0.13 0.00 0.00 0.00 175.10 175.17 2gf6 s ARG 13 N 1.96 2.27 0.25 2.72 1.81 -1.26 0.02 118.95 126.72 2gf6 s ARG 13 Ca 0.44 -1.74 -0.04 0.00 -1.72 0.00 0.00 55.73 52.67 2gf6 s ARG 13 Cb -0.18 -2.06 0.36 0.00 -0.45 0.00 0.00 34.95 32.63 2gf6 s ARG 13 CO 0.16 -0.04 1.88 0.97 -0.68 0.00 0.00 175.30 177.58 2gf6 h ILE 14 N 1.46 1.09 0.00 1.52 6.09 -1.96 0.33 117.51 126.05 2gf6 h ILE 14 Ca -0.43 -0.38 0.00 0.00 -1.37 0.00 0.00 64.86 62.68 2gf6 h ILE 14 Cb 1.25 -0.12 0.00 0.00 0.47 0.00 0.00 36.82 38.42 2gf6 h ILE 14 CO 0.67 0.20 0.00 0.00 -3.07 0.00 0.00 178.15 175.95 2gf6 n TYR 15 N -4.53 0.54 1.38 2.19 0.18 -1.26 -1.68 117.16 113.97 2gf6 n TYR 15 Ca 0.14 0.22 0.14 0.00 1.88 0.00 0.00 57.90 60.28 2gf6 n TYR 15 Cb 0.16 -0.85 0.61 0.00 -0.38 0.00 0.00 39.34 38.88 2gf6 n TYR 15 CO 0.00 0.00 0.00 -0.25 -2.08 0.00 0.00 176.86 174.53 2gf6 n ASP 16 N -2.00 0.41 -4.67 9.48 8.00 0.11 -4.91 116.55 122.96 2gf6 n ASP 16 Ca 0.02 -0.48 -0.27 0.00 0.71 0.00 0.00 54.79 54.76 2gf6 n ASP 16 Cb 0.19 -0.10 -0.08 0.00 -0.02 0.00 0.00 41.12 41.11 2gf6 n ASP 16 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 2gf6 s THR 17 N -2.52 3.80 0.28 -3.53 -4.23 -0.68 -1.00 115.64 107.76 2gf6 s THR 17 Ca 0.28 -1.32 0.00 0.00 -1.18 0.00 0.00 61.69 59.47 2gf6 s THR 17 Cb 0.20 -2.88 0.00 0.00 1.34 0.00 0.00 72.50 71.16 2gf6 s THR 17 CO 0.48 -0.05 0.01 -0.90 -0.54 0.00 0.00 174.62 173.62 2gf6 n ASP 18 N 0.04 2.73 0.16 3.99 5.68 -1.12 -4.85 116.55 123.18 2gf6 n ASP 18 Ca -0.10 -2.21 0.11 0.00 -0.50 0.00 0.00 54.79 52.09 2gf6 n ASP 18 Cb 0.54 0.18 0.58 0.00 -1.14 0.00 0.00 41.12 41.28 2gf6 n ASP 18 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2gf6 n ALA 19 N -2.13 1.09 1.95 2.12 0.00 -1.26 -1.28 120.51 121.01 2gf6 n ALA 19 Ca -0.12 0.19 0.11 0.00 0.00 0.00 0.00 53.44 53.62 2gf6 n ALA 19 Cb 0.35 -1.32 0.61 0.00 0.00 0.00 0.00 19.45 19.10 2gf6 n ALA 19 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2gf6 n GLN 20 N -2.25 1.05 -1.02 0.00 6.02 -1.26 -4.90 117.38 115.02 2gf6 n GLN 20 Ca -0.01 -0.07 -0.01 0.00 -0.01 0.00 0.00 57.00 56.90 2gf6 n GLN 20 Cb 0.05 -1.34 -0.00 0.00 1.02 0.00 0.00 30.24 29.97 2gf6 n GLN 20 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2gf6 n GLY 21 N 0.85 0.47 3.21 1.08 0.00 -0.40 -4.99 105.19 105.40 2gf6 n GLY 21 Ca 0.16 -0.21 -0.12 0.00 0.00 0.00 0.00 46.02 45.85 2gf6 n GLY 21 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2gf6 s ILE 22 N -1.92 0.51 0.29 -0.61 -4.36 -1.26 -4.49 121.20 109.36 2gf6 s ILE 22 Ca 0.00 -1.95 -0.29 0.00 -0.26 0.00 0.00 60.65 58.15 2gf6 s ILE 22 Cb 0.00 -2.04 -0.10 0.00 1.25 0.00 0.00 42.46 41.57 2gf6 s ILE 22 CO 0.00 -0.52 1.35 0.00 0.24 0.00 0.00 174.94 176.01 2gf6 s ALA 23 N -3.77 3.54 0.48 2.27 0.00 0.75 -2.81 121.76 122.22 2gf6 s ALA 23 Ca 0.22 1.27 0.05 0.00 0.00 0.00 0.00 51.96 53.50 2gf6 s ALA 23 Cb 0.06 -3.51 0.02 0.00 0.00 0.00 0.00 23.12 19.70 2gf6 s ALA 23 CO 0.02 -0.67 0.67 -3.38 0.00 0.00 0.00 175.76 172.40 2gf6 s HIS 24 N -0.65 2.82 0.39 0.00 -3.43 -0.17 -4.86 115.29 109.40 2gf6 s HIS 24 Ca 0.53 -0.23 0.22 0.00 -0.80 0.00 0.00 55.06 54.78 2gf6 s HIS 24 Cb -0.40 -2.55 1.23 0.00 -1.43 0.00 0.00 32.58 29.43 2gf6 s HIS 24 CO 0.49 -0.63 1.67 -0.92 -2.00 0.00 0.00 174.74 173.34 2gf6 h TYR 25 N 0.38 0.70 0.00 0.38 5.03 -1.95 0.71 116.97 122.22 2gf6 h TYR 25 Ca -0.41 0.03 -0.15 0.00 2.58 0.00 0.00 58.73 60.78 2gf6 h TYR 25 Cb 1.29 -0.19 -0.02 0.00 1.55 0.00 0.00 36.73 39.36 2gf6 h TYR 25 CO 0.38 -0.14 -0.74 0.00 -1.32 0.00 0.00 178.16 176.35 2gf6 h ALA 26 N 1.70 0.53 -0.71 1.82 0.00 -1.94 -3.25 119.26 117.40 2gf6 h ALA 26 Ca 0.74 -0.67 0.01 0.00 0.00 0.00 0.00 54.91 54.99 2gf6 h ALA 26 Cb 2.00 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 19.63 2gf6 h ALA 26 CO -0.46 0.92 0.47 0.00 0.00 0.00 0.00 179.25 180.18 2gf6 h ALA 27 N 1.26 1.51 -0.07 0.00 0.00 -1.11 -2.54 119.26 118.32 2gf6 h ALA 27 Ca -0.01 -0.05 -0.12 0.00 0.00 0.00 0.00 54.91 54.74 2gf6 h ALA 27 Cb 1.56 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 19.06 2gf6 h ALA 27 CO 0.10 0.44 -0.48 1.88 0.00 0.00 0.00 179.25 181.19 2gf6 h TYR 28 N 0.94 0.22 -0.64 0.00 0.05 -1.59 -1.30 116.97 114.65 2gf6 h TYR 28 Ca 0.27 -0.07 -0.08 0.00 0.05 0.00 0.00 58.73 58.90 2gf6 h TYR 28 Cb -0.07 -0.05 -0.02 0.00 1.01 0.00 0.00 36.73 37.60 2gf6 h TYR 28 CO -0.00 0.63 0.07 -0.92 -1.05 0.00 0.00 178.16 176.89 2gf6 h TYR 29 N 0.15 1.15 -0.64 4.88 3.20 -1.59 0.58 116.97 124.70 2gf6 h TYR 29 Ca 0.01 -0.17 -0.04 0.00 3.14 0.00 0.00 58.73 61.67 2gf6 h TYR 29 Cb 0.90 -0.31 -0.03 0.00 1.54 0.00 0.00 36.73 38.83 2gf6 h TYR 29 CO 0.01 0.98 0.23 -0.09 -1.64 0.00 0.00 178.16 177.65 2gf6 h ARG 30 N 1.00 0.97 0.24 1.82 2.43 -1.04 0.24 114.38 120.03 2gf6 h ARG 30 Ca 0.19 -0.19 -0.01 0.00 -0.81 0.00 0.00 59.98 59.16 2gf6 h ARG 30 Cb 0.47 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 29.87 2gf6 h ARG 30 CO 0.02 0.84 -0.11 0.74 -1.51 0.00 0.00 179.97 179.94 2gf6 h PHE 31 N 0.91 -0.29 -0.02 2.20 0.04 -0.90 -1.71 116.94 117.16 2gf6 h PHE 31 Ca 0.21 -0.01 -0.17 0.00 2.80 0.00 0.00 57.97 60.80 2gf6 h PHE 31 Cb 0.25 0.10 -0.01 0.00 2.20 0.00 0.00 35.95 38.48 2gf6 h PHE 31 CO 0.02 -0.05 -0.76 0.27 -0.60 0.00 0.00 178.31 177.18 2gf6 h PHE 32 N -0.50 0.25 -0.35 -0.55 -5.15 -0.85 -1.61 116.94 108.18 2gf6 h PHE 32 Ca -0.03 -0.12 0.01 0.00 -0.20 0.00 0.00 57.97 57.63 2gf6 h PHE 32 Cb 0.38 -0.03 -0.02 0.00 0.22 0.00 0.00 35.95 36.49 2gf6 h PHE 32 CO -0.01 0.87 0.22 1.15 -2.00 0.00 0.00 178.31 178.54 2gf6 h THR 33 N 0.11 1.06 -0.75 0.88 2.02 -0.59 0.21 112.91 115.86 2gf6 h THR 33 Ca -0.03 -0.15 0.04 0.00 0.77 0.00 0.00 66.41 67.04 2gf6 h THR 33 Cb 1.34 0.58 -0.05 0.00 -1.74 0.00 0.00 68.15 68.28 2gf6 h THR 33 CO 0.11 0.08 0.46 0.78 0.37 0.00 0.00 175.52 177.33 2gf6 h ASN 34 N 0.45 0.74 0.04 4.18 2.35 -1.14 0.19 115.58 122.39 2gf6 h ASN 34 Ca 0.13 0.01 -0.00 0.00 -0.55 0.00 0.00 56.30 55.89 2gf6 h ASN 34 Cb -0.02 -0.15 0.00 0.00 0.05 0.00 0.00 38.32 38.20 2gf6 h ASN 34 CO -0.05 0.50 -0.02 0.74 -1.65 0.00 0.00 177.43 176.95 2gf6 h THR 35 N 0.88 1.25 -0.82 2.81 2.02 -0.86 -1.70 112.91 116.49 2gf6 h THR 35 Ca 0.31 -0.95 0.03 0.00 0.77 0.00 0.00 66.41 66.57 2gf6 h THR 35 Cb 0.07 1.88 -0.05 0.00 -1.74 0.00 0.00 68.15 68.31 2gf6 h THR 35 CO -0.13 0.24 0.52 0.40 0.37 0.00 0.00 175.52 176.92 2gf6 h ILE 36 N -0.47 1.13 -0.53 3.11 2.04 -0.37 -1.89 117.51 120.53 2gf6 h ILE 36 Ca -0.01 -0.35 -0.09 0.00 1.00 0.00 0.00 64.86 65.41 2gf6 h ILE 36 Cb 0.43 0.02 -0.02 0.00 -0.74 0.00 0.00 36.82 36.51 2gf6 h ILE 36 CO 0.01 0.19 -0.04 -0.08 0.00 0.00 0.00 178.15 178.23 2gf6 h GLU 37 N 1.02 0.96 -0.18 2.37 4.81 -0.43 -1.37 114.58 121.76 2gf6 h GLU 37 Ca 0.32 -0.32 -0.15 0.00 -0.13 0.00 0.00 59.36 59.08 2gf6 h GLU 37 Cb 0.00 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.30 2gf6 h GLU 37 CO -0.11 0.99 -0.53 -0.22 -0.73 0.00 0.00 179.01 178.41 2gf6 h LYS 38 N 0.83 0.53 -0.29 1.92 3.64 -1.17 -1.64 116.57 120.38 2gf6 h LYS 38 Ca 0.15 -0.32 0.04 0.00 -1.27 0.00 0.00 60.65 59.24 2gf6 h LYS 38 Cb 0.58 0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.40 2gf6 h LYS 38 CO 0.03 0.93 0.08 0.35 -2.27 0.00 0.00 179.45 178.57 2gf6 h PHE 39 N 0.41 0.15 -0.01 1.91 3.57 -1.00 0.53 116.94 122.50 2gf6 h PHE 39 Ca 0.01 0.02 -0.20 0.00 3.53 0.00 0.00 57.97 61.33 2gf6 h PHE 39 Cb 1.06 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 39.77 2gf6 h PHE 39 CO 0.04 0.06 -0.86 0.82 -2.23 0.00 0.00 178.31 176.14 2gf6 h ILE 40 N 0.20 1.45 0.05 1.41 2.04 -1.14 0.29 117.51 121.81 2gf6 h ILE 40 Ca 0.13 -2.47 0.00 0.00 1.00 0.00 0.00 64.86 63.52 2gf6 h ILE 40 Cb 0.12 2.38 -0.01 0.00 -0.74 0.00 0.00 36.82 38.57 2gf6 h ILE 40 CO -0.15 0.73 -0.06 0.50 0.00 0.00 0.00 178.15 179.16 2gf6 h LYS 41 N 0.16 -0.13 0.06 2.37 3.64 -1.20 0.96 116.57 122.44 2gf6 h LYS 41 Ca -0.05 0.01 -0.28 0.00 -1.27 0.00 0.00 60.65 59.06 2gf6 h LYS 41 Cb 1.47 0.03 0.02 0.00 -0.41 0.00 0.00 32.23 33.35 2gf6 h LYS 41 CO 0.14 -0.09 -1.15 0.93 -2.27 0.00 0.00 179.45 177.01 2gf6 h GLU 42 N -0.14 0.63 0.03 1.90 5.08 -0.68 -2.64 114.58 118.77 2gf6 h GLU 42 Ca 0.01 -0.77 -0.32 0.00 -1.00 0.00 0.00 59.36 57.28 2gf6 h GLU 42 Cb 0.14 0.24 -0.04 0.00 0.50 0.00 0.00 28.75 29.58 2gf6 h GLU 42 CO -0.03 1.34 -1.83 1.63 -1.00 0.00 0.00 179.01 179.12 2gf6 n LYS 43 N -3.81 0.67 -0.07 2.33 5.02 0.10 -4.61 118.16 117.79 2gf6 n LYS 43 Ca -0.12 0.27 -0.07 0.00 -2.02 0.00 0.00 58.31 56.36 2gf6 n LYS 43 Cb 0.94 -1.75 -0.09 0.00 -0.02 0.00 0.00 35.03 34.10 2gf6 n LYS 43 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 2gf6 n VAL 44 N -3.13 0.87 -1.69 -0.18 0.31 -0.34 -4.87 118.33 109.29 2gf6 n VAL 44 Ca -0.22 -0.48 0.00 0.00 -0.01 0.00 0.00 64.34 63.63 2gf6 n VAL 44 Cb 1.06 -0.78 0.00 0.00 -0.91 0.00 0.00 33.84 33.21 2gf6 n VAL 44 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2gf6 n GLY 45 N 2.37 0.68 3.28 2.92 0.00 0.19 -5.01 105.19 109.62 2gf6 n GLY 45 Ca -0.22 -0.72 -0.19 0.00 0.00 0.00 0.00 46.02 44.89 2gf6 n GLY 45 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2gf6 s ILE 46 N -2.06 1.49 0.89 -0.61 -4.36 -1.23 -5.00 121.20 110.32 2gf6 s ILE 46 Ca 0.00 -1.83 -0.10 0.00 -0.26 0.00 0.00 60.65 58.46 2gf6 s ILE 46 Cb 0.00 -1.68 0.13 0.00 1.25 0.00 0.00 42.46 42.16 2gf6 s ILE 46 CO 0.00 -0.42 1.13 -2.16 0.24 0.00 0.00 174.94 173.73 2gf6 s PRO 47 N -2.84 1.24 -0.11 0.37 0.04 -1.26 -3.76 135.00 128.68 2gf6 s PRO 47 Ca 0.12 1.40 -0.09 0.00 0.04 0.00 0.00 61.00 62.47 2gf6 s PRO 47 Cb -0.04 -1.76 0.03 0.00 0.04 0.00 0.00 34.50 32.76 2gf6 s PRO 47 CO 0.04 -2.43 0.29 -0.47 0.04 0.00 0.00 177.00 174.47 2gf6 s TYR 48 N -2.71 -0.33 -2.41 0.56 5.04 -1.26 -4.32 117.35 111.91 2gf6 s TYR 48 Ca 0.65 0.81 0.22 0.00 -2.44 0.00 0.00 57.07 56.31 2gf6 s TYR 48 Cb -0.21 0.11 0.66 0.00 0.35 0.00 0.00 41.96 42.86 2gf6 s TYR 48 CO 0.58 -0.17 1.51 -0.35 -1.34 0.00 0.00 175.55 175.77 2gf6 n PRO 49 N 3.16 1.96 -3.56 4.97 -0.04 -1.26 -4.98 135.00 135.24 2gf6 n PRO 49 Ca -0.15 -1.44 -0.41 0.00 -0.04 0.00 0.00 63.50 61.46 2gf6 n PRO 49 Cb 0.57 -1.44 -0.11 0.00 -0.04 0.00 0.00 33.50 32.49 2gf6 n PRO 49 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 2gf6 s ILE 50 N -1.76 4.74 -0.13 0.52 1.01 -1.26 -1.18 121.20 123.15 2gf6 s ILE 50 Ca 0.34 -0.84 -0.06 0.00 0.00 0.00 0.00 60.65 60.09 2gf6 s ILE 50 Cb 0.19 -3.66 -0.02 0.00 0.01 0.00 0.00 42.46 38.98 2gf6 s ILE 50 CO 0.29 -0.27 -0.09 0.58 0.00 0.00 0.00 174.94 175.44 2gf6 h VAL 51 N 5.82 0.03 -2.90 2.92 2.07 -1.52 -3.42 116.25 119.26 2gf6 h VAL 51 Ca -0.26 -1.03 -0.10 0.00 0.82 0.00 0.00 66.70 66.13 2gf6 h VAL 51 Cb 1.11 0.07 -0.02 0.00 -1.52 0.00 0.00 31.29 30.93 2gf6 h VAL 51 CO 0.69 0.01 0.01 -0.46 0.02 0.00 0.00 177.57 177.84 2gf6 n ASN 52 N -4.68 -0.97 0.32 0.57 0.23 -1.00 -4.76 115.26 104.97 2gf6 n ASN 52 Ca -0.05 -1.99 0.19 0.00 -0.53 0.00 0.00 54.58 52.21 2gf6 n ASN 52 Cb 0.17 1.70 1.07 0.00 -2.08 0.00 0.00 39.78 40.64 2gf6 n ASN 52 CO 0.00 0.00 0.00 1.05 -0.93 0.00 0.00 177.26 177.38 2gf6 h GLU 53 N 0.00 0.00 -0.10 -3.83 -0.00 -2.00 -2.38 114.58 106.26 2gf6 h GLU 53 Ca -0.17 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.19 2gf6 h GLU 53 Cb 0.67 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.42 2gf6 h GLU 53 CO 0.22 0.00 0.00 0.09 -0.00 0.00 0.00 179.01 179.32 2gf6 n ASN 54 N -3.38 2.39 -3.44 3.06 3.02 -1.26 -4.37 115.26 111.28 2gf6 n ASN 54 Ca -0.03 -1.68 -0.09 0.00 -0.03 0.00 0.00 54.58 52.76 2gf6 n ASN 54 Cb 0.11 -0.06 -0.09 0.00 -0.61 0.00 0.00 39.78 39.14 2gf6 n ASN 54 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 2gf6 s LEU 55 N -1.16 -0.62 0.18 3.41 2.96 -0.90 -4.05 118.68 118.49 2gf6 s LEU 55 Ca 0.19 0.43 0.07 0.00 -0.22 0.00 0.00 54.13 54.61 2gf6 s LEU 55 Cb 0.13 1.16 -0.04 0.00 0.50 0.00 0.00 46.19 47.93 2gf6 s LEU 55 CO 0.19 -0.28 -0.15 0.26 -1.32 0.00 0.00 176.35 175.04 2gf6 s TRP 56 N 2.56 1.66 -0.16 5.38 0.52 -0.29 -1.70 118.94 126.90 2gf6 s TRP 56 Ca 0.09 -0.56 -0.04 0.00 0.02 0.00 0.00 56.10 55.61 2gf6 s TRP 56 Cb -0.14 -0.80 -0.03 0.00 -1.15 0.00 0.00 33.47 31.35 2gf6 s TRP 56 CO -0.15 0.30 -0.03 -0.06 0.02 0.00 0.00 176.95 177.03 2gf6 s PHE 57 N -2.64 3.03 0.13 -1.98 0.08 -0.32 -0.20 117.98 116.08 2gf6 s PHE 57 Ca 0.18 -0.33 0.08 0.00 0.12 0.00 0.00 56.93 56.99 2gf6 s PHE 57 Cb -0.02 -1.98 -0.04 0.00 -0.57 0.00 0.00 43.02 40.41 2gf6 s PHE 57 CO 0.06 -0.07 -0.19 0.14 -0.10 0.00 0.00 175.22 175.06 2gf6 s VAL 58 N 0.46 1.73 -0.20 -0.44 -7.23 -0.71 -4.83 120.40 109.17 2gf6 s VAL 58 Ca -0.03 -1.72 -0.25 0.00 -1.81 0.00 0.00 61.98 58.18 2gf6 s VAL 58 Cb -0.14 -1.67 -0.01 0.00 0.56 0.00 0.00 36.38 35.11 2gf6 s VAL 58 CO 0.03 -0.20 0.81 -0.63 -0.31 0.00 0.00 175.10 174.80 2gf6 s ILE 59 N -1.61 4.88 -0.12 -0.62 1.01 -1.26 -1.03 121.20 122.45 2gf6 s ILE 59 Ca 0.11 1.57 0.16 0.00 0.00 0.00 0.00 60.65 62.48 2gf6 s ILE 59 Cb -0.08 -4.11 -0.23 0.00 0.01 0.00 0.00 42.46 38.05 2gf6 s ILE 59 CO 0.05 -0.00 0.44 0.00 0.00 0.00 0.00 174.94 175.43 2gf6 n ALA 60 N 5.49 1.65 -3.55 9.38 0.00 0.38 -4.96 120.51 128.90 2gf6 n ALA 60 Ca 0.04 -0.95 -0.14 0.00 0.00 0.00 0.00 53.44 52.39 2gf6 n ALA 60 Cb 0.48 -0.59 -0.07 0.00 0.00 0.00 0.00 19.45 19.27 2gf6 n ALA 60 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 2gf6 s GLU 61 N -2.67 0.80 0.06 0.00 2.12 -1.21 -4.99 118.70 112.81 2gf6 s GLU 61 Ca -0.07 0.81 0.07 0.00 0.36 0.00 0.00 54.97 56.14 2gf6 s GLU 61 Cb 0.08 0.39 -0.03 0.00 0.26 0.00 0.00 34.13 34.82 2gf6 s GLU 61 CO 0.83 -0.12 -0.19 -1.54 -0.54 0.00 0.00 175.26 173.69 2gf6 s SER 62 N 0.12 2.32 -0.17 -1.70 1.04 -1.26 -1.54 113.70 112.52 2gf6 s SER 62 Ca -0.02 -0.56 -0.15 0.00 0.48 0.00 0.00 55.95 55.69 2gf6 s SER 62 Cb -0.04 -0.16 0.04 0.00 0.10 0.00 0.00 66.02 65.96 2gf6 s SER 62 CO 0.02 0.10 0.45 -2.28 0.98 0.00 0.00 173.24 172.51 2gf6 s HIS 63 N -0.94 -0.50 0.01 5.02 5.04 -0.81 -5.01 115.29 118.11 2gf6 s HIS 63 Ca 0.06 1.22 -0.19 0.00 -1.54 0.00 0.00 55.06 54.61 2gf6 s HIS 63 Cb -0.09 0.18 0.04 0.00 0.04 0.00 0.00 32.58 32.74 2gf6 s HIS 63 CO 0.02 -0.24 0.42 0.00 -2.34 0.00 0.00 174.74 172.60 2gf6 s ALA 64 N 0.29 -1.06 -0.12 1.58 0.00 -1.26 -1.21 121.76 119.98 2gf6 s ALA 64 Ca -0.00 0.48 0.01 0.00 0.00 0.00 0.00 51.96 52.45 2gf6 s ALA 64 Cb -0.03 0.20 0.02 0.00 0.00 0.00 0.00 23.12 23.31 2gf6 s ALA 64 CO -0.00 -0.38 -0.13 0.42 0.00 0.00 0.00 175.76 175.67 2gf6 s ILE 65 N -1.89 1.38 -0.46 0.00 1.01 0.73 -4.98 121.20 116.99 2gf6 s ILE 65 Ca -0.09 -0.54 -0.10 0.00 0.00 0.00 0.00 60.65 59.92 2gf6 s ILE 65 Cb -0.02 -1.30 0.11 0.00 0.01 0.00 0.00 42.46 41.26 2gf6 s ILE 65 CO 0.02 0.42 0.33 -0.31 0.00 0.00 0.00 174.94 175.40 2gf6 s TYR 66 N 1.28 3.39 -0.03 3.97 2.02 -1.26 -2.06 117.35 124.66 2gf6 s TYR 66 Ca -0.01 -1.73 -0.21 0.00 -0.37 0.00 0.00 57.07 54.75 2gf6 s TYR 66 Cb -0.14 -3.36 -0.30 0.00 -0.40 0.00 0.00 41.96 37.76 2gf6 s TYR 66 CO -0.05 -0.95 0.95 0.45 -1.57 0.00 0.00 175.55 174.37 2gf6 h HIS 67 N 8.47 0.63 -3.98 2.71 3.86 -1.38 -3.47 115.15 121.98 2gf6 h HIS 67 Ca -0.22 -0.43 -0.16 0.00 -1.16 0.00 0.00 60.37 58.39 2gf6 h HIS 67 Cb 1.08 -0.03 -0.20 0.00 1.06 0.00 0.00 27.41 29.31 2gf6 h HIS 67 CO 0.64 1.32 -0.68 1.03 0.86 0.00 0.00 177.93 181.10 2gf6 s ARG 68 N -2.61 0.37 0.66 2.45 0.52 -1.06 -5.07 118.95 114.21 2gf6 s ARG 68 Ca -0.13 -0.68 -0.11 0.00 -0.52 0.00 0.00 55.73 54.29 2gf6 s ARG 68 Cb 0.02 0.13 -0.01 0.00 0.52 0.00 0.00 34.95 35.61 2gf6 s ARG 68 CO 0.85 -0.07 1.05 -1.25 0.02 0.00 0.00 175.30 175.90 2gf6 s PRO 69 N -1.82 3.24 0.13 3.54 0.04 -1.26 -4.74 135.00 134.14 2gf6 s PRO 69 Ca -0.13 0.76 0.10 0.00 0.04 0.00 0.00 61.00 61.78 2gf6 s PRO 69 Cb -0.07 -2.04 -0.04 0.00 0.04 0.00 0.00 34.50 32.39 2gf6 s PRO 69 CO -0.02 -0.83 -0.24 0.14 0.04 0.00 0.00 177.00 176.08 2gf6 s VAL 70 N -3.17 2.08 0.29 -0.36 -7.23 -1.26 -5.02 120.40 105.74 2gf6 s VAL 70 Ca 0.57 -1.74 0.04 0.00 -1.81 0.00 0.00 61.98 59.04 2gf6 s VAL 70 Cb -0.12 -1.87 -0.06 0.00 0.56 0.00 0.00 36.38 34.89 2gf6 s VAL 70 CO 0.54 -0.00 0.03 -0.54 -0.31 0.00 0.00 175.10 174.82 2gf6 s LYS 71 N -2.13 1.55 0.11 4.82 1.02 -1.26 -0.18 119.74 123.68 2gf6 s LYS 71 Ca 0.13 -1.83 -0.34 0.00 0.02 0.00 0.00 55.97 53.94 2gf6 s LYS 71 Cb -0.10 -0.80 -0.13 0.00 -0.52 0.00 0.00 37.83 36.28 2gf6 s LYS 71 CO 0.06 -0.15 1.66 -0.11 -0.92 0.00 0.00 175.35 175.89 2gf6 n LEU 72 N -0.60 3.26 0.00 3.17 7.94 -1.26 -1.44 117.00 128.08 2gf6 n LEU 72 Ca -0.03 1.05 0.00 0.00 -1.11 0.00 0.00 56.01 55.92 2gf6 n LEU 72 Cb 0.66 -1.43 0.00 0.00 0.53 0.00 0.00 43.42 43.18 2gf6 n LEU 72 CO 0.40 -0.19 0.00 0.61 -1.11 0.00 0.00 177.39 177.10 2gf6 n GLY 73 N 3.69 1.00 3.77 -3.96 0.00 0.10 -4.98 105.19 104.80 2gf6 n GLY 73 Ca 0.18 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.80 2gf6 n GLY 73 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2gf6 s ASP 74 N -3.05 6.81 -0.23 1.61 1.01 -0.52 -4.68 116.67 117.61 2gf6 s ASP 74 Ca 0.00 2.58 -0.18 0.00 0.71 0.00 0.00 52.55 55.66 2gf6 s ASP 74 Cb 0.00 -2.64 -0.03 0.00 1.01 0.00 0.00 42.92 41.26 2gf6 s ASP 74 CO 0.00 -0.50 0.50 -0.54 0.21 0.00 0.00 175.17 174.84 2gf6 s LYS 75 N -1.81 4.12 0.12 8.23 1.02 -1.26 -0.71 119.74 129.45 2gf6 s LYS 75 Ca 0.49 0.33 0.05 0.00 0.02 0.00 0.00 55.97 56.87 2gf6 s LYS 75 Cb -0.37 -3.61 -0.04 0.00 -0.52 0.00 0.00 37.83 33.29 2gf6 s LYS 75 CO 0.49 -0.24 0.04 -0.51 -0.92 0.00 0.00 175.35 174.20 2gf6 s LEU 76 N 1.96 3.55 -0.14 3.17 1.43 0.04 -4.40 118.68 124.29 2gf6 s LEU 76 Ca 0.22 -0.18 0.01 0.00 -1.03 0.00 0.00 54.13 53.14 2gf6 s LEU 76 Cb -0.15 -2.24 -0.00 0.00 0.03 0.00 0.00 46.19 43.82 2gf6 s LEU 76 CO 0.09 0.14 -0.16 -0.89 0.23 0.00 0.00 176.35 175.76 2gf6 s THR 77 N -1.47 2.64 -0.21 5.49 2.01 -0.09 -1.76 115.64 122.24 2gf6 s THR 77 Ca 0.28 -0.79 -0.05 0.00 0.31 0.00 0.00 61.69 61.44 2gf6 s THR 77 Cb -0.11 -2.10 -0.02 0.00 0.01 0.00 0.00 72.50 70.28 2gf6 s THR 77 CO 0.20 0.52 -0.00 -0.69 -0.69 0.00 0.00 174.62 173.96 2gf6 s VAL 78 N 0.68 3.83 -0.17 3.82 1.01 0.53 -0.28 120.40 129.82 2gf6 s VAL 78 Ca -0.08 -0.35 -0.08 0.00 0.00 0.00 0.00 61.98 61.47 2gf6 s VAL 78 Cb -0.16 -2.74 -0.04 0.00 0.00 0.00 0.00 36.38 33.43 2gf6 s VAL 78 CO 0.02 0.41 0.12 -0.76 0.00 0.00 0.00 175.10 174.89 2gf6 s LEU 79 N 1.21 4.17 -0.12 3.92 1.43 -0.27 -1.18 118.68 127.84 2gf6 s LEU 79 Ca 0.03 0.27 0.00 0.00 -1.03 0.00 0.00 54.13 53.41 2gf6 s LEU 79 Cb -0.15 -2.05 -0.02 0.00 0.03 0.00 0.00 46.19 44.01 2gf6 s LEU 79 CO 0.01 0.26 -0.13 -0.22 0.23 0.00 0.00 176.35 176.49 2gf6 s LEU 80 N -0.11 2.70 -0.52 1.79 2.96 0.07 -1.83 118.68 123.75 2gf6 s LEU 80 Ca 0.10 -0.32 0.04 0.00 -0.22 0.00 0.00 54.13 53.73 2gf6 s LEU 80 Cb -0.12 -1.60 0.13 0.00 0.50 0.00 0.00 46.19 45.11 2gf6 s LEU 80 CO 0.00 0.18 0.26 0.21 -1.32 0.00 0.00 176.35 175.69 2gf6 s ASN 81 N 0.24 4.27 0.56 3.68 2.47 0.11 -3.00 114.94 123.26 2gf6 s ASN 81 Ca -0.09 -3.01 -0.19 0.00 0.42 0.00 0.00 52.86 49.99 2gf6 s ASN 81 Cb -0.15 -1.60 -0.05 0.00 -1.45 0.00 0.00 41.25 38.00 2gf6 s ASN 81 CO 0.05 -0.23 1.11 -2.16 -3.72 0.00 0.00 177.10 172.15 2gf6 s PRO 82 N -0.28 3.33 -0.24 0.43 0.04 -1.26 -2.08 135.00 134.94 2gf6 s PRO 82 Ca 0.17 1.52 -0.03 0.00 0.04 0.00 0.00 61.00 62.70 2gf6 s PRO 82 Cb -0.25 -2.01 0.13 0.00 0.04 0.00 0.00 34.50 32.40 2gf6 s PRO 82 CO -0.00 -0.85 0.35 0.21 0.04 0.00 0.00 177.00 176.75 2gf6 s LYS 83 N -3.45 0.32 -0.08 4.56 2.20 0.23 -4.92 119.74 118.60 2gf6 s LYS 83 Ca 0.71 0.46 -0.30 0.00 -0.36 0.00 0.00 55.97 56.47 2gf6 s LYS 83 Cb -0.22 -0.61 -0.03 0.00 -1.51 0.00 0.00 37.83 35.46 2gf6 s LYS 83 CO 0.29 -0.66 1.25 0.42 -0.36 0.00 0.00 175.35 176.29 2gf6 s ILE 84 N 2.50 4.18 -0.13 5.43 1.01 -1.26 -0.19 121.20 132.75 2gf6 s ILE 84 Ca 0.12 1.50 0.13 0.00 0.00 0.00 0.00 60.65 62.39 2gf6 s ILE 84 Cb -0.15 -3.96 -0.24 0.00 0.01 0.00 0.00 42.46 38.12 2gf6 s ILE 84 CO -0.16 -0.04 0.33 0.18 0.00 0.00 0.00 174.94 175.26 2gf6 n LEU 85 N 5.62 0.75 -3.89 2.97 4.77 0.92 -4.94 117.00 123.21 2gf6 n LEU 85 Ca 0.12 0.19 -0.00 0.00 -0.03 0.00 0.00 56.01 56.28 2gf6 n LEU 85 Cb 0.45 0.15 0.01 0.00 -2.33 0.00 0.00 43.42 41.71 2gf6 n LEU 85 CO 0.56 0.50 0.95 -0.94 -1.33 0.00 0.00 177.39 177.13 2gf6 s SER 86 N -5.92 -0.01 0.67 -1.43 1.04 -1.01 -4.92 113.70 102.11 2gf6 s SER 86 Ca -0.10 -0.42 0.29 0.00 0.48 0.00 0.00 55.95 56.19 2gf6 s SER 86 Cb 0.07 0.33 1.57 0.00 0.10 0.00 0.00 66.02 68.09 2gf6 s SER 86 CO 0.81 -0.65 1.89 0.78 0.98 0.00 0.00 173.24 177.05 2gf6 h ASN 87 N 2.00 0.00 0.00 7.02 4.21 -1.96 -2.62 115.58 124.23 2gf6 h ASN 87 Ca -0.26 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.25 2gf6 h ASN 87 Cb 1.20 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.40 2gf6 h ASN 87 CO 0.33 0.00 -0.92 0.29 -1.29 0.00 0.00 177.43 175.84 2gf6 n LYS 88 N -2.88 2.17 -4.42 0.81 5.02 -1.26 -4.48 118.16 113.11 2gf6 n LYS 88 Ca -0.02 -0.04 -0.22 0.00 -2.02 0.00 0.00 58.31 56.01 2gf6 n LYS 88 Cb 0.41 -1.07 -0.16 0.00 -0.02 0.00 0.00 35.03 34.18 2gf6 n LYS 88 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 2gf6 s THR 89 N -2.24 0.89 -0.07 -0.18 -4.23 -0.99 -0.71 115.64 108.11 2gf6 s THR 89 Ca 0.00 -0.34 0.05 0.00 -1.18 0.00 0.00 61.69 60.22 2gf6 s THR 89 Cb 0.06 -0.83 -0.00 0.00 1.34 0.00 0.00 72.50 73.07 2gf6 s THR 89 CO 0.38 0.30 -0.22 -0.63 -0.54 0.00 0.00 174.62 173.90 2gf6 s ILE 90 N 0.70 1.86 -0.30 2.99 1.01 -0.50 -0.05 121.20 126.91 2gf6 s ILE 90 Ca -0.13 -0.93 -0.12 0.00 0.00 0.00 0.00 60.65 59.47 2gf6 s ILE 90 Cb -0.15 -1.60 -0.04 0.00 0.01 0.00 0.00 42.46 40.69 2gf6 s ILE 90 CO 0.02 0.52 0.20 -0.75 0.00 0.00 0.00 174.94 174.93 2gf6 s LYS 91 N 0.11 3.82 -0.48 2.79 2.20 0.74 -0.76 119.74 128.16 2gf6 s LYS 91 Ca -0.10 -0.41 -0.13 0.00 -0.36 0.00 0.00 55.97 54.97 2gf6 s LYS 91 Cb -0.15 -3.70 0.10 0.00 -1.51 0.00 0.00 37.83 32.57 2gf6 s LYS 91 CO 0.05 -0.25 0.39 -0.06 -0.36 0.00 0.00 175.35 175.12 2gf6 s PHE 92 N 1.75 3.29 0.18 4.03 0.08 0.21 0.74 117.98 128.26 2gf6 s PHE 92 Ca 0.07 -1.30 -0.21 0.00 0.12 0.00 0.00 56.93 55.61 2gf6 s PHE 92 Cb -0.16 -3.36 -0.08 0.00 -0.57 0.00 0.00 43.02 38.85 2gf6 s PHE 92 CO 0.11 -0.90 0.70 -1.21 -0.10 0.00 0.00 175.22 173.82 2gf6 s GLU 93 N 1.54 4.31 0.03 0.44 2.02 -0.88 -1.74 118.70 124.42 2gf6 s GLU 93 Ca 0.04 0.90 -0.01 0.00 0.02 0.00 0.00 54.97 55.92 2gf6 s GLU 93 Cb -0.26 -3.03 -0.02 0.00 0.10 0.00 0.00 34.13 30.91 2gf6 s GLU 93 CO 0.04 0.48 -0.02 -0.59 0.02 0.00 0.00 175.26 175.19 2gf6 s PHE 94 N -1.36 0.33 0.05 1.61 -0.71 -0.51 0.04 117.98 117.42 2gf6 s PHE 94 Ca 0.39 -0.67 0.04 0.00 -1.04 0.00 0.00 56.93 55.64 2gf6 s PHE 94 Cb -0.19 -0.24 -0.02 0.00 -1.21 0.00 0.00 43.02 41.36 2gf6 s PHE 94 CO 0.22 -0.25 -0.11 -1.59 -1.34 0.00 0.00 175.22 172.14 2gf6 s LYS 95 N -2.19 0.71 -0.13 1.99 -2.85 -0.76 -1.98 119.74 114.53 2gf6 s LYS 95 Ca -0.09 -0.80 -0.00 0.00 -1.00 0.00 0.00 55.97 54.07 2gf6 s LYS 95 Cb -0.05 -0.63 -0.01 0.00 -2.06 0.00 0.00 37.83 35.08 2gf6 s LYS 95 CO -0.04 0.14 -0.12 0.08 0.10 0.00 0.00 175.35 175.51 2gf6 s VAL 96 N -1.16 3.09 -0.02 1.79 1.01 -0.11 -1.11 120.40 123.89 2gf6 s VAL 96 Ca -0.04 -0.64 0.05 0.00 0.00 0.00 0.00 61.98 61.35 2gf6 s VAL 96 Cb -0.09 -2.31 -0.03 0.00 0.00 0.00 0.00 36.38 33.96 2gf6 s VAL 96 CO 0.01 0.52 -0.17 -0.76 0.00 0.00 0.00 175.10 174.71 2gf6 s LEU 97 N 0.39 2.61 -0.10 3.92 1.43 0.61 0.78 118.68 128.32 2gf6 s LEU 97 Ca -0.10 -0.29 0.01 0.00 -1.03 0.00 0.00 54.13 52.72 2gf6 s LEU 97 Cb -0.16 -1.52 0.02 0.00 0.03 0.00 0.00 46.19 44.56 2gf6 s LEU 97 CO 0.05 0.32 -0.12 -0.75 0.23 0.00 0.00 176.35 176.08 2gf6 s LYS 98 N -0.89 1.87 -1.40 1.70 2.20 -0.23 -0.91 119.74 122.08 2gf6 s LYS 98 Ca 0.12 -0.42 -0.09 0.00 -0.36 0.00 0.00 55.97 55.22 2gf6 s LYS 98 Cb -0.10 -1.69 0.02 0.00 -1.51 0.00 0.00 37.83 34.54 2gf6 s LYS 98 CO 0.02 -0.13 1.12 -0.25 -0.36 0.00 0.00 175.35 175.75 2gf6 n ASP 99 N 4.43 -6.18 0.00 1.43 8.00 -1.26 -2.21 116.55 120.75 2gf6 n ASP 99 Ca -0.18 -0.55 0.00 0.00 0.71 0.00 0.00 54.79 54.77 2gf6 n ASP 99 Cb 0.51 -4.88 0.00 0.00 -0.02 0.00 0.00 41.12 36.73 2gf6 n ASP 99 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2gf6 n GLY 100 N -1.94 0.28 3.30 0.44 0.00 -1.26 -4.99 105.19 101.01 2gf6 n GLY 100 Ca 0.01 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.71 2gf6 n GLY 100 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2gf6 s GLU 101 N -0.92 2.72 0.17 1.61 2.02 -0.94 -5.05 118.70 118.32 2gf6 s GLU 101 Ca 0.00 -0.85 -0.32 0.00 0.02 0.00 0.00 54.97 53.82 2gf6 s GLU 101 Cb 0.00 -2.27 -0.11 0.00 0.10 0.00 0.00 34.13 31.86 2gf6 s GLU 101 CO 0.00 0.36 1.67 -1.17 0.02 0.00 0.00 175.26 176.13 2gf6 s LEU 102 N -0.09 4.37 -0.13 1.80 2.96 -1.26 -1.07 118.68 125.26 2gf6 s LEU 102 Ca -0.05 2.71 0.06 0.00 -0.22 0.00 0.00 54.13 56.63 2gf6 s LEU 102 Cb -0.14 -3.59 -0.12 0.00 0.50 0.00 0.00 46.19 42.84 2gf6 s LEU 102 CO 0.04 -0.91 -0.05 0.35 -1.32 0.00 0.00 176.35 174.47 2gf6 n THR 103 N 4.14 0.84 -3.77 3.68 -2.24 0.23 -4.72 114.28 112.44 2gf6 n THR 103 Ca 0.15 -0.42 -0.10 0.00 -2.27 0.00 0.00 64.05 61.41 2gf6 n THR 103 Cb 0.37 -0.86 -0.07 0.00 -2.10 0.00 0.00 70.33 67.68 2gf6 n THR 103 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 2gf6 s THR 104 N -2.29 0.10 -0.28 4.28 2.01 -1.01 -0.91 115.64 117.53 2gf6 s THR 104 Ca -0.13 -0.84 -0.16 0.00 0.31 0.00 0.00 61.69 60.87 2gf6 s THR 104 Cb 0.04 -1.12 0.09 0.00 0.01 0.00 0.00 72.50 71.53 2gf6 s THR 104 CO 0.42 -0.46 0.73 -0.70 -0.69 0.00 0.00 174.62 173.91 2gf6 s GLU 105 N -3.24 0.66 0.00 4.92 2.12 -0.87 -0.93 118.70 121.35 2gf6 s GLU 105 Ca -0.00 1.17 0.00 0.00 0.36 0.00 0.00 54.97 56.50 2gf6 s GLU 105 Cb 0.02 0.18 0.00 0.00 0.26 0.00 0.00 34.13 34.59 2gf6 s GLU 105 CO -0.08 -0.14 0.00 0.41 -0.54 0.00 0.00 175.26 174.91 2gf6 n GLY 106 N 4.32 -1.04 3.47 -1.50 0.00 -0.84 -0.19 105.19 109.41 2gf6 n GLY 106 Ca -0.19 -0.75 -0.11 0.00 0.00 0.00 0.00 46.02 44.96 2gf6 n GLY 106 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2gf6 s TYR 107 N -3.00 -0.48 0.04 1.61 -0.85 -0.35 -1.43 117.35 112.89 2gf6 s TYR 107 Ca 0.00 0.40 0.07 0.00 -0.52 0.00 0.00 57.07 57.02 2gf6 s TYR 107 Cb 0.00 0.53 -0.02 0.00 0.38 0.00 0.00 41.96 42.85 2gf6 s TYR 107 CO 0.00 -0.70 -0.20 0.14 -1.52 0.00 0.00 175.55 173.27 2gf6 s VAL 108 N -3.11 1.62 -0.20 -3.49 -7.23 -0.71 -1.92 120.40 105.36 2gf6 s VAL 108 Ca 0.01 -1.14 -0.13 0.00 -1.81 0.00 0.00 61.98 58.90 2gf6 s VAL 108 Cb -0.01 -1.41 -0.05 0.00 0.56 0.00 0.00 36.38 35.48 2gf6 s VAL 108 CO -0.08 0.22 0.27 -0.63 -0.31 0.00 0.00 175.10 174.57 2gf6 s ILE 109 N -0.76 5.30 -0.04 -0.62 -1.09 -0.59 -0.62 121.20 122.78 2gf6 s ILE 109 Ca 0.07 0.44 0.05 0.00 -2.23 0.00 0.00 60.65 58.99 2gf6 s ILE 109 Cb -0.09 -3.60 -0.02 0.00 -1.58 0.00 0.00 42.46 37.17 2gf6 s ILE 109 CO 0.01 0.34 -0.20 -1.10 -1.23 0.00 0.00 174.94 172.76 2gf6 s GLN 110 N 0.92 2.37 -0.14 2.79 -0.21 0.06 -0.47 119.66 124.98 2gf6 s GLN 110 Ca 0.13 -0.81 -0.02 0.00 0.02 0.00 0.00 55.36 54.68 2gf6 s GLN 110 Cb -0.13 -2.23 -0.02 0.00 1.00 0.00 0.00 33.01 31.62 2gf6 s GLN 110 CO 0.05 0.57 -0.07 0.42 -2.12 0.00 0.00 175.29 174.14 2gf6 s ILE 111 N -0.60 3.64 -0.00 1.08 1.01 -0.19 -1.41 121.20 124.72 2gf6 s ILE 111 Ca 0.09 -0.45 -0.30 0.00 0.00 0.00 0.00 60.65 59.99 2gf6 s ILE 111 Cb -0.11 -2.57 -0.05 0.00 0.01 0.00 0.00 42.46 39.74 2gf6 s ILE 111 CO 0.00 0.51 1.37 0.00 0.00 0.00 0.00 174.94 176.82 2gf6 s ALA 112 N 0.30 3.57 0.12 9.38 0.00 0.12 -1.74 121.76 133.51 2gf6 s ALA 112 Ca -0.05 0.85 0.08 0.00 0.00 0.00 0.00 51.96 52.84 2gf6 s ALA 112 Cb -0.15 -3.58 -0.04 0.00 0.00 0.00 0.00 23.12 19.35 2gf6 s ALA 112 CO 0.04 -0.88 -0.19 0.96 0.00 0.00 0.00 175.76 175.68 2gf6 s ILE 113 N 2.34 1.70 -0.44 0.00 -4.36 0.72 -1.03 121.20 120.12 2gf6 s ILE 113 Ca 0.63 -1.68 -0.22 0.00 -0.26 0.00 0.00 60.65 59.12 2gf6 s ILE 113 Cb -0.31 -1.64 0.02 0.00 1.25 0.00 0.00 42.46 41.79 2gf6 s ILE 113 CO 0.26 -0.18 0.74 0.21 0.24 0.00 0.00 174.94 176.21 2gf6 s ASN 114 N -2.20 6.39 0.51 4.36 3.84 -0.15 -1.14 114.94 126.55 2gf6 s ASN 114 Ca 0.09 -0.16 0.30 0.00 0.21 0.00 0.00 52.86 53.30 2gf6 s ASN 114 Cb -0.08 -2.37 1.08 0.00 -0.55 0.00 0.00 41.25 39.33 2gf6 s ASN 114 CO 0.05 -0.87 1.88 1.55 -2.79 0.00 0.00 177.10 176.92 2gf6 h PRO 115 N 8.94 0.00 -0.56 0.43 0.13 -1.79 0.23 132.00 139.38 2gf6 h PRO 115 Ca -0.25 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 64.89 2gf6 h PRO 115 Cb 1.09 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.19 2gf6 h PRO 115 CO 0.94 0.02 0.37 0.87 -0.23 0.00 0.00 178.00 179.98 2gf6 h LYS 116 N 0.00 0.74 -0.00 0.86 1.57 -1.93 -3.20 116.57 114.61 2gf6 h LYS 116 Ca -0.00 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 2gf6 h LYS 116 Cb 0.65 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.80 2gf6 h LYS 116 CO 0.00 0.49 -0.41 0.44 -0.57 0.00 0.00 179.45 179.40 2gf6 n ILE 117 N -4.45 0.00 -3.58 1.86 -5.35 -1.08 -5.03 119.36 101.72 2gf6 n ILE 117 Ca 0.05 -0.29 -0.22 0.00 -0.27 0.00 0.00 62.75 62.02 2gf6 n ILE 117 Cb 0.05 1.01 0.05 0.00 -1.74 0.00 0.00 39.64 39.00 2gf6 n ILE 117 CO 0.00 0.00 0.00 1.87 -1.76 0.00 0.00 176.55 176.66 2gf6 n TRP 118 N -1.16 -2.04 -4.02 4.28 -0.00 0.79 -5.02 117.44 110.26 2gf6 n TRP 118 Ca 0.02 0.78 -0.08 0.00 -0.00 0.00 0.00 57.50 58.22 2gf6 n TRP 118 Cb 0.14 -4.24 -0.10 0.00 -0.00 0.00 0.00 31.31 27.11 2gf6 n TRP 118 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 177.69 177.84 2gf6 s LYS 119 N -5.62 0.48 0.53 5.87 -0.14 -1.11 -5.00 119.74 114.76 2gf6 s LYS 119 Ca 0.17 -0.90 -0.21 0.00 -1.36 0.00 0.00 55.97 53.68 2gf6 s LYS 119 Cb -0.04 0.17 -0.05 0.00 -1.68 0.00 0.00 37.83 36.22 2gf6 s LYS 119 CO 0.80 -0.09 1.23 -1.54 -0.76 0.00 0.00 175.35 174.99 2gf6 s SER 120 N -2.19 5.60 0.01 2.83 1.04 -1.26 -0.98 113.70 118.75 2gf6 s SER 120 Ca -0.04 2.45 -0.06 0.00 0.48 0.00 0.00 55.95 58.78 2gf6 s SER 120 Cb -0.01 -2.61 -0.00 0.00 0.10 0.00 0.00 66.02 63.50 2gf6 s SER 120 CO -0.05 -1.32 0.10 0.28 0.98 0.00 0.00 173.24 173.23 2gf6 s THR 121 N -1.50 0.10 0.00 2.02 -1.32 -0.19 -4.72 115.64 110.02 2gf6 s THR 121 Ca 0.71 -0.80 0.00 0.00 -1.21 0.00 0.00 61.69 60.39 2gf6 s THR 121 Cb -0.32 -0.49 0.00 0.00 -1.51 0.00 0.00 72.50 70.18 2gf6 s THR 121 CO 0.37 -0.44 0.00 -0.62 -2.21 0.00 0.00 174.62 171.72 2gf6 n GLU 122 N 1.35 3.38 -4.20 7.08 1.02 -1.26 -4.52 120.64 123.48 2gf6 n GLU 122 Ca -0.22 0.00 -0.33 0.00 -0.02 0.00 0.00 57.16 56.58 2gf6 n GLU 122 Cb 0.56 0.00 -0.08 0.00 -0.02 0.00 0.00 31.44 31.90 2gf6 n GLU 122 CO 0.00 0.00 0.00 -2.14 1.18 0.00 0.00 177.13 176.17 2gf6 s PRO 124 N 0.00 2.96 0.20 3.49 0.02 -1.26 -5.00 135.00 135.41 2gf6 s PRO 124 Ca 0.00 -0.51 -0.11 0.00 0.02 0.00 0.00 61.00 60.40 2gf6 s PRO 124 Cb 0.00 -2.79 0.13 0.00 0.02 0.00 0.00 34.50 31.86 2gf6 s PRO 124 CO 0.00 0.65 1.87 -0.22 -0.33 0.00 0.00 177.00 178.97 2gf6 h LYS 125 N 4.37 0.92 -0.80 5.54 1.63 -2.05 -1.85 116.57 124.32 2gf6 h LYS 125 Ca -0.49 -0.06 0.11 0.00 -0.85 0.00 0.00 60.65 59.35 2gf6 h LYS 125 Cb 1.18 -0.21 -0.13 0.00 -0.60 0.00 0.00 32.23 32.48 2gf6 h LYS 125 CO 0.59 0.61 -0.46 0.93 -3.45 0.00 0.00 179.45 177.68 2gf6 h GLU 126 N 0.94 -0.10 -0.01 1.90 3.07 -2.04 0.29 114.58 118.62 2gf6 h GLU 126 Ca 0.25 0.01 0.00 0.00 -0.50 0.00 0.00 59.36 59.12 2gf6 h GLU 126 Cb -0.10 0.02 0.00 0.00 -0.84 0.00 0.00 28.75 27.83 2gf6 h GLU 126 CO -0.05 -0.07 0.00 -0.89 -1.40 0.00 0.00 179.01 176.60 2gf6 n ILE 127 N -5.39 0.00 0.00 3.13 5.41 -0.70 -3.32 119.36 118.50 2gf6 n ILE 127 Ca 0.04 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.79 2gf6 n ILE 127 Cb 0.34 -0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.27 2gf6 n ILE 127 CO 0.00 0.00 0.00 0.47 0.00 0.00 0.00 176.55 177.02 2gf6 n ASP 129 N 0.48 0.00 -0.38 4.38 8.00 0.10 -4.99 116.55 124.14 2gf6 n ASP 129 Ca 0.00 0.00 0.14 0.00 0.71 0.00 0.00 54.79 55.64 2gf6 n ASP 129 Cb 0.00 0.00 0.61 0.00 -0.02 0.00 0.00 41.12 41.71 2gf6 n ASP 129 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10