#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2git n ILE 1 N 0.00 0.04 -3.94 2.02 5.41 -1.26 -5.01 119.36 116.61 2git n ILE 1 Ca 0.00 -0.01 -0.19 0.00 1.00 0.00 0.00 62.75 63.56 2git n ILE 1 Cb 0.00 -1.50 -0.17 0.00 -0.71 0.00 0.00 39.64 37.26 2git n ILE 1 CO 0.00 0.00 0.00 -1.10 0.00 0.00 0.00 176.55 175.45 2git s GLN 2 N 1.08 0.45 -0.05 0.38 -0.21 -1.26 -4.38 119.66 115.67 2git s GLN 2 Ca 0.80 0.06 0.05 0.00 0.02 0.00 0.00 55.36 56.29 2git s GLN 2 Cb -0.70 -0.64 -0.01 0.00 1.00 0.00 0.00 33.01 32.66 2git s GLN 2 CO 0.39 -0.16 -0.19 1.03 -2.12 0.00 0.00 175.29 174.24 2git s ARG 3 N 1.21 2.00 0.21 2.91 0.52 0.39 -4.91 118.95 121.28 2git s ARG 3 Ca -0.07 -0.70 -0.30 0.00 -0.52 0.00 0.00 55.73 54.15 2git s ARG 3 Cb -0.13 -1.72 -0.08 0.00 0.52 0.00 0.00 34.95 33.53 2git s ARG 3 CO -0.02 0.29 1.04 0.99 0.02 0.00 0.00 175.30 177.62 2git s THR 4 N -0.03 3.90 0.26 0.02 2.01 -1.26 -1.63 115.64 118.90 2git s THR 4 Ca -0.04 1.75 -0.30 0.00 0.31 0.00 0.00 61.69 63.42 2git s THR 4 Cb -0.12 -4.12 -0.09 0.00 0.01 0.00 0.00 72.50 68.18 2git s THR 4 CO 0.03 0.36 1.27 -2.16 -0.69 0.00 0.00 174.62 173.42 2git s PRO 5 N -0.79 4.43 0.26 4.92 0.04 -1.26 -4.31 135.00 138.28 2git s PRO 5 Ca 0.46 2.06 -0.21 0.00 0.04 0.00 0.00 61.00 63.35 2git s PRO 5 Cb -0.28 -3.15 -0.09 0.00 0.04 0.00 0.00 34.50 31.02 2git s PRO 5 CO 0.35 -0.14 0.78 0.15 0.04 0.00 0.00 177.00 178.19 2git s LYS 6 N -0.94 4.31 -0.04 4.56 1.02 0.14 -4.89 119.74 123.91 2git s LYS 6 Ca 0.52 0.97 0.02 0.00 0.02 0.00 0.00 55.97 57.50 2git s LYS 6 Cb -0.37 -2.80 0.01 0.00 -0.52 0.00 0.00 37.83 34.15 2git s LYS 6 CO 0.44 0.33 -0.10 0.42 -0.92 0.00 0.00 175.35 175.52 2git s ILE 7 N -1.60 0.91 -0.04 2.17 1.01 -1.26 -1.78 121.20 120.61 2git s ILE 7 Ca 0.46 -0.39 0.03 0.00 0.00 0.00 0.00 60.65 60.75 2git s ILE 7 Cb -0.16 -0.83 0.00 0.00 0.01 0.00 0.00 42.46 41.48 2git s ILE 7 CO 0.21 0.29 -0.13 -1.10 0.00 0.00 0.00 174.94 174.22 2git s GLN 8 N 0.43 1.46 -0.13 2.79 -0.21 -0.61 -5.00 119.66 118.39 2git s GLN 8 Ca -0.08 -0.44 0.02 0.00 0.02 0.00 0.00 55.36 54.89 2git s GLN 8 Cb -0.12 -1.27 0.00 0.00 1.00 0.00 0.00 33.01 32.62 2git s GLN 8 CO 0.02 0.13 -0.21 0.54 -2.12 0.00 0.00 175.29 173.65 2git s VAL 9 N 0.29 2.25 0.19 1.09 0.11 -1.26 -1.22 120.40 121.86 2git s VAL 9 Ca -0.07 -0.93 -0.23 0.00 -2.93 0.00 0.00 61.98 57.82 2git s VAL 9 Cb -0.12 -1.90 0.05 0.00 -1.53 0.00 0.00 36.38 32.88 2git s VAL 9 CO 0.02 0.55 0.77 -0.72 -3.33 0.00 0.00 175.10 172.38 2git s TYR 10 N 0.59 -0.27 0.14 1.54 1.13 -0.52 -4.62 117.35 115.33 2git s TYR 10 Ca -0.12 -0.06 -0.05 0.00 -1.41 0.00 0.00 57.07 55.44 2git s TYR 10 Cb -0.16 0.64 -0.05 0.00 -1.10 0.00 0.00 41.96 41.28 2git s TYR 10 CO 0.03 -0.98 0.37 -1.54 -2.51 0.00 0.00 175.55 170.92 2git s SER 11 N -2.84 6.49 0.19 -0.18 1.04 -1.26 0.39 113.70 117.53 2git s SER 11 Ca 0.08 0.58 -0.12 0.00 0.48 0.00 0.00 55.95 56.97 2git s SER 11 Cb -0.03 -2.09 0.19 0.00 0.10 0.00 0.00 66.02 64.19 2git s SER 11 CO -0.00 0.06 1.74 -0.09 0.98 0.00 0.00 173.24 175.93 2git h ARG 12 N 2.85 0.32 -6.41 4.02 2.43 -1.55 -3.44 114.38 112.61 2git h ARG 12 Ca -0.46 -0.02 -0.62 0.00 -0.81 0.00 0.00 59.98 58.07 2git h ARG 12 Cb 1.17 -0.07 -0.14 0.00 -0.42 0.00 0.00 29.97 30.50 2git h ARG 12 CO 0.73 0.21 -0.73 -1.01 -1.51 0.00 0.00 179.97 177.66 2git s HIS 13 N -6.13 2.55 0.19 2.20 3.76 -1.26 -5.04 115.29 111.56 2git s HIS 13 Ca -0.13 -0.26 -0.32 0.00 -0.15 0.00 0.00 55.06 54.20 2git s HIS 13 Cb 0.15 -1.22 -0.15 0.00 1.11 0.00 0.00 32.58 32.47 2git s HIS 13 CO 0.73 0.55 1.23 -2.30 -0.85 0.00 0.00 174.74 174.10 2git n PRO 14 N -0.14 1.42 -2.49 8.40 -0.02 -1.26 -4.86 135.00 136.05 2git n PRO 14 Ca -0.10 0.51 -0.41 0.00 -2.02 0.00 0.00 63.50 61.48 2git n PRO 14 Cb 0.57 -2.05 -0.04 0.00 -0.02 0.00 0.00 33.50 31.96 2git n PRO 14 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2git s ALA 15 N -0.15 3.37 -0.05 3.55 0.00 -1.26 -5.02 121.76 122.19 2git s ALA 15 Ca 0.72 0.82 -0.01 0.00 0.00 0.00 0.00 51.96 53.48 2git s ALA 15 Cb -0.79 -3.37 0.03 0.00 0.00 0.00 0.00 23.12 18.98 2git s ALA 15 CO 0.51 -0.27 0.02 -1.21 0.00 0.00 0.00 175.76 174.82 2git s GLU 16 N -0.01 0.31 0.19 0.00 2.02 -1.26 -5.12 118.70 114.83 2git s GLU 16 Ca 0.52 0.18 -0.33 0.00 0.02 0.00 0.00 54.97 55.36 2git s GLU 16 Cb -0.29 -0.68 -0.13 0.00 0.10 0.00 0.00 34.13 33.12 2git s GLU 16 CO 0.34 -0.26 1.58 0.09 0.02 0.00 0.00 175.26 177.03 2git n ASN 17 N 4.89 3.27 0.00 -0.19 3.02 -1.26 -1.94 115.26 123.06 2git n ASN 17 Ca -0.12 1.09 0.00 0.00 -0.03 0.00 0.00 54.58 55.53 2git n ASN 17 Cb 0.50 -1.47 0.00 0.00 -0.61 0.00 0.00 39.78 38.20 2git n ASN 17 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2git n GLY 18 N 3.23 1.00 3.45 7.41 0.00 -0.43 -5.00 105.19 114.84 2git n GLY 18 Ca 0.15 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.84 2git n GLY 18 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2git s LYS 19 N -0.48 3.35 0.57 1.61 1.02 -0.82 -5.00 119.74 119.99 2git s LYS 19 Ca 0.00 -0.61 -0.19 0.00 0.02 0.00 0.00 55.97 55.19 2git s LYS 19 Cb 0.00 -2.71 -0.05 0.00 -0.52 0.00 0.00 37.83 34.55 2git s LYS 19 CO 0.00 0.31 1.18 0.45 -0.92 0.00 0.00 175.35 176.37 2git s SER 20 N 0.14 5.44 0.18 2.83 0.15 -1.26 -4.20 113.70 116.99 2git s SER 20 Ca -0.04 2.32 -0.07 0.00 0.70 0.00 0.00 55.95 58.85 2git s SER 20 Cb -0.14 -2.59 0.03 0.00 -1.71 0.00 0.00 66.02 61.60 2git s SER 20 CO 0.04 -1.42 0.37 -3.20 1.20 0.00 0.00 173.24 170.23 2git n ASN 21 N -1.41 -1.07 -4.17 5.45 2.85 0.53 -4.98 115.26 112.47 2git n ASN 21 Ca 0.12 -1.75 -0.25 0.00 -0.11 0.00 0.00 54.58 52.59 2git n ASN 21 Cb 0.50 1.78 -0.15 0.00 1.24 0.00 0.00 39.78 43.15 2git n ASN 21 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 2git s PHE 22 N -5.77 1.63 -0.20 1.20 0.40 -1.26 -1.06 117.98 112.92 2git s PHE 22 Ca 0.08 -0.34 -0.08 0.00 -0.60 0.00 0.00 56.93 55.99 2git s PHE 22 Cb -0.02 -1.06 -0.04 0.00 0.51 0.00 0.00 43.02 42.41 2git s PHE 22 CO 0.06 -0.05 0.09 -1.17 0.70 0.00 0.00 175.22 174.84 2git s LEU 23 N -0.34 3.89 0.02 -0.37 2.96 -0.05 -1.25 118.68 123.55 2git s LEU 23 Ca 0.05 0.09 0.08 0.00 -0.22 0.00 0.00 54.13 54.13 2git s LEU 23 Cb -0.08 -2.00 -0.03 0.00 0.50 0.00 0.00 46.19 44.58 2git s LEU 23 CO -0.00 0.15 -0.21 0.20 -1.32 0.00 0.00 176.35 175.16 2git s ASN 24 N 0.54 3.53 -0.20 3.68 0.01 0.16 -1.59 114.94 121.07 2git s ASN 24 Ca 0.05 -0.46 -0.00 0.00 -0.71 0.00 0.00 52.86 51.73 2git s ASN 24 Cb -0.12 -0.50 0.05 0.00 0.41 0.00 0.00 41.25 41.09 2git s ASN 24 CO 0.01 0.28 -0.04 0.00 -1.51 0.00 0.00 177.10 175.84 2git s TYR 26 N 1.57 3.28 -0.10 0.00 5.04 -0.35 -0.64 117.35 126.15 2git s TYR 26 Ca -0.02 0.16 0.02 0.00 -2.44 0.00 0.00 57.07 54.78 2git s TYR 26 Cb -0.17 -2.27 -0.01 0.00 0.35 0.00 0.00 41.96 39.85 2git s TYR 26 CO -0.07 0.01 -0.18 0.14 -1.34 0.00 0.00 175.55 174.10 2git s VAL 27 N 1.17 2.59 0.19 3.14 -7.23 -0.44 -1.58 120.40 118.24 2git s VAL 27 Ca 0.07 -0.84 -0.13 0.00 -1.81 0.00 0.00 61.98 59.27 2git s VAL 27 Cb -0.14 -2.03 0.00 0.00 0.56 0.00 0.00 36.38 34.77 2git s VAL 27 CO 0.05 0.55 0.41 -0.94 -0.31 0.00 0.00 175.10 174.86 2git s SER 28 N 0.18 -0.09 -0.06 4.85 1.04 -0.73 -1.00 113.70 117.89 2git s SER 28 Ca -0.11 -0.75 0.00 0.00 0.48 0.00 0.00 55.95 55.57 2git s SER 28 Cb -0.16 0.52 0.00 0.00 0.10 0.00 0.00 66.02 66.48 2git s SER 28 CO 0.06 -1.01 0.00 0.61 0.98 0.00 0.00 173.24 173.88 2git n GLY 29 N -0.30 0.48 3.79 7.32 0.00 -0.29 -0.68 105.19 115.51 2git n GLY 29 Ca -0.07 -0.30 -0.25 0.00 0.00 0.00 0.00 46.02 45.40 2git n GLY 29 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2git s PHE 30 N -1.96 3.10 -0.26 1.61 -0.71 -1.17 -4.30 117.98 114.29 2git s PHE 30 Ca 0.00 -0.05 -0.23 0.00 -1.04 0.00 0.00 56.93 55.61 2git s PHE 30 Cb 0.00 -1.47 0.07 0.00 -1.21 0.00 0.00 43.02 40.41 2git s PHE 30 CO 0.00 0.52 0.69 -1.58 -1.34 0.00 0.00 175.22 173.52 2git s HIS 31 N -1.84 -0.81 1.22 3.49 2.46 -0.65 -1.07 115.29 118.09 2git s HIS 31 Ca 0.31 1.90 -0.20 0.00 0.47 0.00 0.00 55.06 57.54 2git s HIS 31 Cb -0.09 0.31 0.30 0.00 -0.13 0.00 0.00 32.58 32.96 2git s HIS 31 CO 0.23 -0.39 1.11 -1.25 -2.47 0.00 0.00 174.74 171.98 2git s PRO 32 N 0.55 -1.38 0.18 2.88 0.04 -1.26 -0.46 135.00 135.54 2git s PRO 32 Ca -0.01 -0.14 0.26 0.00 0.04 0.00 0.00 61.00 61.15 2git s PRO 32 Cb -0.05 -1.58 0.90 0.00 0.04 0.00 0.00 34.50 33.80 2git s PRO 32 CO -0.02 -3.80 1.79 -1.13 0.04 0.00 0.00 177.00 173.88 2git n SER 33 N -4.81 0.65 -4.68 6.66 3.41 -1.26 -4.79 113.62 108.80 2git n SER 33 Ca 0.14 0.57 -0.42 0.00 -0.26 0.00 0.00 58.87 58.90 2git n SER 33 Cb 0.60 -0.74 -0.03 0.00 -0.26 0.00 0.00 64.21 63.78 2git n SER 33 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 2git s ASP 34 N -4.22 6.73 -0.01 4.04 1.11 -1.26 -4.97 116.67 118.09 2git s ASP 34 Ca 0.10 2.22 -0.15 0.00 0.18 0.00 0.00 52.55 54.90 2git s ASP 34 Cb 0.13 -2.55 0.02 0.00 1.07 0.00 0.00 42.92 41.60 2git s ASP 34 CO 0.56 -0.84 0.33 -0.51 1.18 0.00 0.00 175.17 175.88 2git s ILE 35 N 3.16 0.06 -0.19 0.77 2.07 -1.26 -4.64 121.20 121.17 2git s ILE 35 Ca 0.69 -0.48 -0.01 0.00 -1.41 0.00 0.00 60.65 59.44 2git s ILE 35 Cb -0.33 -0.68 0.00 0.00 0.13 0.00 0.00 42.46 41.57 2git s ILE 35 CO 0.28 -0.27 -0.13 -0.70 -1.91 0.00 0.00 174.94 172.22 2git s GLU 36 N -1.52 3.21 -0.10 3.50 2.12 -0.23 -5.00 118.70 120.68 2git s GLU 36 Ca -0.12 -0.73 0.00 0.00 0.36 0.00 0.00 54.97 54.49 2git s GLU 36 Cb -0.04 -2.75 0.02 0.00 0.26 0.00 0.00 34.13 31.62 2git s GLU 36 CO 0.03 -0.13 -0.09 0.08 -0.54 0.00 0.00 175.26 174.61 2git s VAL 37 N 1.20 1.06 0.08 3.70 1.01 -1.26 -1.24 120.40 124.95 2git s VAL 37 Ca 0.02 -0.34 0.10 0.00 0.00 0.00 0.00 61.98 61.75 2git s VAL 37 Cb -0.14 -1.05 -0.03 0.00 0.00 0.00 0.00 36.38 35.16 2git s VAL 37 CO -0.05 0.36 -0.25 -1.81 0.00 0.00 0.00 175.10 173.35 2git s ASP 38 N 1.43 3.33 -0.15 3.32 1.01 -0.24 -4.99 116.67 120.38 2git s ASP 38 Ca -0.00 -0.62 -0.07 0.00 0.71 0.00 0.00 52.55 52.57 2git s ASP 38 Cb -0.13 -0.32 -0.04 0.00 1.01 0.00 0.00 42.92 43.44 2git s ASP 38 CO -0.05 0.23 0.10 -0.76 0.21 0.00 0.00 175.17 174.89 2git s LEU 39 N -1.58 4.08 -0.04 1.23 1.43 -1.26 -0.49 118.68 122.04 2git s LEU 39 Ca 0.13 0.27 0.05 0.00 -1.03 0.00 0.00 54.13 53.55 2git s LEU 39 Cb -0.10 -2.01 -0.02 0.00 0.03 0.00 0.00 46.19 44.09 2git s LEU 39 CO 0.04 0.30 -0.17 -0.76 0.23 0.00 0.00 176.35 175.98 2git s LEU 40 N -0.35 2.55 -0.18 1.79 1.43 0.15 -0.65 118.68 123.42 2git s LEU 40 Ca 0.10 -0.27 0.01 0.00 -1.03 0.00 0.00 54.13 52.94 2git s LEU 40 Cb -0.12 -1.50 0.02 0.00 0.03 0.00 0.00 46.19 44.63 2git s LEU 40 CO 0.01 0.33 -0.18 -0.75 0.23 0.00 0.00 176.35 176.00 2git s LYS 41 N -0.67 2.75 -1.61 1.70 2.20 -0.18 -1.74 119.74 122.19 2git s LYS 41 Ca 0.10 -0.80 -0.17 0.00 -0.36 0.00 0.00 55.97 54.75 2git s LYS 41 Cb -0.11 -2.47 0.14 0.00 -1.51 0.00 0.00 37.83 33.88 2git s LYS 41 CO 0.00 -0.25 0.79 0.09 -0.36 0.00 0.00 175.35 175.62 2git n ASN 42 N 4.65 -3.67 0.00 1.43 3.02 -0.04 -1.52 115.26 119.13 2git n ASN 42 Ca -0.19 -0.88 0.00 0.00 -0.03 0.00 0.00 54.58 53.48 2git n ASN 42 Cb 0.49 -2.99 0.00 0.00 -0.61 0.00 0.00 39.78 36.67 2git n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2git n GLY 43 N -1.41 2.21 3.70 7.41 0.00 -1.26 -5.06 105.19 110.77 2git n GLY 43 Ca 0.06 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.74 2git n GLY 43 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2git s GLU 44 N -0.76 2.95 0.06 1.61 0.41 -0.58 -4.99 118.70 117.41 2git s GLU 44 Ca 0.00 -0.46 -0.32 0.00 -0.41 0.00 0.00 54.97 53.78 2git s GLU 44 Cb 0.00 -2.77 -0.11 0.00 -1.78 0.00 0.00 34.13 29.47 2git s GLU 44 CO 0.00 0.68 1.83 -2.13 -0.49 0.00 0.00 175.26 175.15 2git n ARG 45 N 1.85 2.57 -2.52 1.61 0.63 -1.26 -1.01 116.66 118.53 2git n ARG 45 Ca -0.17 0.94 -0.42 0.00 -0.92 0.00 0.00 57.85 57.27 2git n ARG 45 Cb 0.53 -2.81 -0.03 0.00 0.45 0.00 0.00 32.46 30.60 2git n ARG 45 CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 2git s ILE 46 N 3.06 4.34 0.04 5.15 1.01 0.17 -4.89 121.20 130.08 2git s ILE 46 Ca 0.85 1.68 -0.16 0.00 0.00 0.00 0.00 60.65 63.02 2git s ILE 46 Cb -0.55 -4.07 -0.29 0.00 0.01 0.00 0.00 42.46 37.55 2git s ILE 46 CO 0.42 0.12 1.08 -0.33 0.00 0.00 0.00 174.94 176.23 2git h GLU 47 N 6.85 0.59 -4.31 2.79 4.39 -1.93 -3.40 114.58 119.55 2git h GLU 47 Ca -0.41 -0.79 -0.76 0.00 0.34 0.00 0.00 59.36 57.74 2git h GLU 47 Cb 1.21 0.26 -0.22 0.00 -0.10 0.00 0.00 28.75 29.91 2git h GLU 47 CO 0.80 1.36 0.95 0.15 -1.16 0.00 0.00 179.01 181.10 2git s LYS 48 N -2.96 4.08 -0.06 2.33 1.02 -1.26 -4.96 119.74 117.93 2git s LYS 48 Ca -0.10 -2.76 0.05 0.00 0.02 0.00 0.00 55.97 53.18 2git s LYS 48 Cb 0.05 -4.85 -0.00 0.00 -0.52 0.00 0.00 37.83 32.51 2git s LYS 48 CO 0.92 -1.56 -0.21 0.08 -0.92 0.00 0.00 175.35 173.66 2git s VAL 49 N 0.58 1.75 0.35 3.17 1.01 -1.26 -4.69 120.40 121.32 2git s VAL 49 Ca 0.37 -0.88 0.09 0.00 0.00 0.00 0.00 61.98 61.55 2git s VAL 49 Cb -0.06 -1.51 -0.06 0.00 0.00 0.00 0.00 36.38 34.76 2git s VAL 49 CO -0.04 0.49 0.00 -1.61 0.00 0.00 0.00 175.10 173.95 2git s GLU 50 N 0.08 2.02 0.08 2.72 2.02 -0.48 -4.92 118.70 120.22 2git s GLU 50 Ca -0.08 -1.83 -0.02 0.00 0.02 0.00 0.00 54.97 53.06 2git s GLU 50 Cb -0.14 -1.86 -0.03 0.00 0.10 0.00 0.00 34.13 32.20 2git s GLU 50 CO 0.04 0.10 0.03 -3.38 0.02 0.00 0.00 175.26 172.07 2git s HIS 51 N -2.56 0.55 0.86 1.61 -3.43 -1.26 -0.66 115.29 110.40 2git s HIS 51 Ca 0.35 -1.04 -0.12 0.00 -0.80 0.00 0.00 55.06 53.45 2git s HIS 51 Cb 0.02 -0.36 0.11 0.00 -1.43 0.00 0.00 32.58 30.92 2git s HIS 51 CO 0.19 -0.45 1.11 -1.54 -2.00 0.00 0.00 174.74 172.05 2git s SER 52 N -2.95 3.90 0.17 7.38 1.04 -0.12 -4.98 113.70 118.15 2git s SER 52 Ca 0.11 1.20 -0.30 0.00 0.48 0.00 0.00 55.95 57.44 2git s SER 52 Cb 0.07 -1.86 -0.07 0.00 0.10 0.00 0.00 66.02 64.26 2git s SER 52 CO -0.07 -2.33 0.97 -1.81 0.98 0.00 0.00 173.24 170.99 2git s ASP 53 N -3.86 7.52 0.20 7.02 1.01 -1.26 -4.76 116.67 122.53 2git s ASP 53 Ca 0.62 1.90 -0.33 0.00 0.71 0.00 0.00 52.55 55.46 2git s ASP 53 Cb -0.15 -2.60 -0.13 0.00 1.01 0.00 0.00 42.92 41.05 2git s ASP 53 CO 0.54 -0.00 1.56 -0.11 0.21 0.00 0.00 175.17 177.37 2git n LEU 54 N 2.21 3.32 -4.16 1.23 7.94 -1.26 -4.95 117.00 121.32 2git n LEU 54 Ca 0.01 1.10 -0.16 0.00 -1.11 0.00 0.00 56.01 55.85 2git n LEU 54 Cb 0.48 -1.46 -0.06 0.00 0.53 0.00 0.00 43.42 42.91 2git n LEU 54 CO 0.51 -0.24 0.03 -0.55 -1.11 0.00 0.00 177.39 176.03 2git s SER 55 N 0.76 1.08 0.13 1.96 0.15 -1.24 -5.06 113.70 111.49 2git s SER 55 Ca 0.75 -1.55 -0.14 0.00 0.70 0.00 0.00 55.95 55.70 2git s SER 55 Cb -0.63 0.60 0.03 0.00 -1.71 0.00 0.00 66.02 64.30 2git s SER 55 CO 0.41 -1.18 0.36 0.72 1.20 0.00 0.00 173.24 174.75 2git s PHE 56 N -3.30 -0.10 0.72 3.44 -0.12 -1.26 -1.90 117.98 115.46 2git s PHE 56 Ca 0.34 -0.25 -0.02 0.00 -0.05 0.00 0.00 56.93 56.95 2git s PHE 56 Cb 0.01 0.19 0.11 0.00 -0.63 0.00 0.00 43.02 42.71 2git s PHE 56 CO 0.22 -0.69 0.99 -1.12 -0.05 0.00 0.00 175.22 174.57 2git s SER 57 N -2.83 4.41 0.47 1.98 0.01 -0.05 -4.94 113.70 112.76 2git s SER 57 Ca 0.05 -0.20 0.19 0.00 1.31 0.00 0.00 55.95 57.30 2git s SER 57 Cb 0.02 -0.25 1.17 0.00 0.21 0.00 0.00 66.02 67.18 2git s SER 57 CO -0.10 -1.81 1.97 0.11 0.41 0.00 0.00 173.24 173.81 2git h LYS 58 N -0.54 0.25 -0.11 12.44 1.57 -2.02 -0.90 116.57 127.25 2git h LYS 58 Ca -0.38 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.38 2git h LYS 58 Cb 1.27 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 33.53 2git h LYS 58 CO 0.43 0.17 0.00 -0.40 -0.57 0.00 0.00 179.45 179.08 2git n ASP 59 N -4.44 0.67 0.00 0.86 5.75 -1.26 -4.89 116.55 113.24 2git n ASP 59 Ca 0.11 -1.86 0.00 0.00 -0.01 0.00 0.00 54.79 53.03 2git n ASP 59 Cb 0.51 -0.07 0.00 0.00 -1.03 0.00 0.00 41.12 40.53 2git n ASP 59 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 2git n TRP 60 N -0.20 0.00 -2.25 2.11 7.02 -0.34 -5.02 117.44 118.76 2git n TRP 60 Ca 0.07 0.00 -0.39 0.00 -1.02 0.00 0.00 57.50 56.17 2git n TRP 60 Cb 0.13 -0.01 -0.02 0.00 -2.42 0.00 0.00 31.31 28.99 2git n TRP 60 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 2git s SER 61 N -3.64 6.55 0.57 -0.99 1.04 -1.26 -4.62 113.70 111.35 2git s SER 61 Ca 0.00 2.42 -0.08 0.00 0.48 0.00 0.00 55.95 58.77 2git s SER 61 Cb 0.00 -2.62 -0.03 0.00 0.10 0.00 0.00 66.02 63.47 2git s SER 61 CO 0.00 -0.66 0.93 -0.36 0.98 0.00 0.00 173.24 174.13 2git s PHE 62 N -1.35 3.51 -0.02 5.02 0.08 -0.23 -0.87 117.98 124.12 2git s PHE 62 Ca 0.56 0.99 -0.05 0.00 0.12 0.00 0.00 56.93 58.54 2git s PHE 62 Cb -0.33 -2.60 0.00 0.00 -0.57 0.00 0.00 43.02 39.52 2git s PHE 62 CO 0.41 -0.61 0.12 1.52 -0.10 0.00 0.00 175.22 176.56 2git s TYR 63 N -3.01 -0.00 0.01 0.36 -0.85 -0.80 -1.14 117.35 111.92 2git s TYR 63 Ca 0.52 0.01 -0.05 0.00 -0.52 0.00 0.00 57.07 57.03 2git s TYR 63 Cb -0.11 -0.03 -0.00 0.00 0.38 0.00 0.00 41.96 42.20 2git s TYR 63 CO 0.49 -0.19 0.09 -0.51 -1.52 0.00 0.00 175.55 173.90 2git s LEU 64 N -0.83 1.76 -0.19 -3.49 1.43 -0.17 -3.59 118.68 113.61 2git s LEU 64 Ca -0.09 -0.27 -0.02 0.00 -1.03 0.00 0.00 54.13 52.71 2git s LEU 64 Cb -0.05 0.49 -0.01 0.00 0.03 0.00 0.00 46.19 46.65 2git s LEU 64 CO 0.01 -0.33 -0.09 -0.22 0.23 0.00 0.00 176.35 175.95 2git s LEU 65 N -1.33 2.75 -0.09 1.79 2.96 -1.26 -1.32 118.68 122.17 2git s LEU 65 Ca -0.14 -0.40 -0.05 0.00 -0.22 0.00 0.00 54.13 53.32 2git s LEU 65 Cb -0.08 -1.67 -0.04 0.00 0.50 0.00 0.00 46.19 44.90 2git s LEU 65 CO 0.01 0.04 0.11 -0.31 -1.32 0.00 0.00 176.35 174.88 2git s TYR 66 N 1.11 3.47 0.03 5.38 1.51 0.19 -0.95 117.35 128.09 2git s TYR 66 Ca 0.01 0.41 -0.20 0.00 -1.01 0.00 0.00 57.07 56.27 2git s TYR 66 Cb -0.15 -1.87 0.04 0.00 -0.11 0.00 0.00 41.96 39.87 2git s TYR 66 CO -0.02 0.65 0.45 1.52 -1.11 0.00 0.00 175.55 177.04 2git s TYR 67 N -1.05 -0.33 -0.04 2.71 1.13 0.17 -0.37 117.35 119.56 2git s TYR 67 Ca 0.17 0.39 -0.16 0.00 -1.41 0.00 0.00 57.07 56.06 2git s TYR 67 Cb -0.12 0.25 0.03 0.00 -1.10 0.00 0.00 41.96 41.02 2git s TYR 67 CO 0.06 -0.57 0.36 -0.08 -2.51 0.00 0.00 175.55 172.82 2git s THR 68 N -2.16 0.04 0.26 -3.49 -1.32 -0.62 -1.38 115.64 106.98 2git s THR 68 Ca -0.07 -0.35 -0.30 0.00 -1.21 0.00 0.00 61.69 59.76 2git s THR 68 Cb -0.01 -0.64 -0.10 0.00 -1.51 0.00 0.00 72.50 70.24 2git s THR 68 CO 0.00 -0.19 1.35 -1.61 -2.21 0.00 0.00 174.62 171.96 2git s GLU 69 N -1.07 4.34 0.11 7.08 2.02 -1.26 -0.87 118.70 129.05 2git s GLU 69 Ca -0.11 2.19 -0.13 0.00 0.02 0.00 0.00 54.97 56.94 2git s GLU 69 Cb -0.04 -3.12 0.02 0.00 0.10 0.00 0.00 34.13 31.08 2git s GLU 69 CO 0.04 -0.28 0.32 -0.59 0.02 0.00 0.00 175.26 174.77 2git s PHE 70 N -0.34 -0.06 -0.27 1.61 -0.71 -0.23 -4.85 117.98 113.13 2git s PHE 70 Ca 0.55 -0.30 0.02 0.00 -1.04 0.00 0.00 56.93 56.16 2git s PHE 70 Cb -0.39 0.13 0.06 0.00 -1.21 0.00 0.00 43.02 41.61 2git s PHE 70 CO 0.45 -0.64 -0.08 0.99 -1.34 0.00 0.00 175.22 174.59 2git s THR 71 N -3.83 2.36 0.50 -4.49 2.01 -1.26 -0.34 115.64 110.59 2git s THR 71 Ca 0.04 -1.62 -0.23 0.00 0.31 0.00 0.00 61.69 60.19 2git s THR 71 Cb 0.03 -2.40 -0.06 0.00 0.01 0.00 0.00 72.50 70.08 2git s THR 71 CO -0.11 -0.07 1.34 -2.16 -0.69 0.00 0.00 174.62 172.92 2git s PRO 72 N 1.13 3.42 0.44 4.92 0.04 -1.26 -4.77 135.00 138.92 2git s PRO 72 Ca -0.07 2.20 0.03 0.00 0.04 0.00 0.00 61.00 63.20 2git s PRO 72 Cb -0.20 -2.41 -0.03 0.00 0.04 0.00 0.00 34.50 31.91 2git s PRO 72 CO -0.04 -0.95 0.07 0.95 0.04 0.00 0.00 177.00 177.06 2git s THR 73 N -1.31 0.93 0.21 1.26 -4.23 -1.26 -1.31 115.64 109.92 2git s THR 73 Ca 0.67 -2.00 -0.08 0.00 -1.18 0.00 0.00 61.69 59.10 2git s THR 73 Cb -0.39 -2.35 0.12 0.00 1.34 0.00 0.00 72.50 71.21 2git s THR 73 CO 0.48 0.00 1.72 -0.08 -0.54 0.00 0.00 174.62 176.20 2git h GLU 74 N 1.66 1.11 0.00 3.99 4.81 -1.97 -3.34 114.58 120.84 2git h GLU 74 Ca -0.39 -0.27 -0.07 0.00 -0.13 0.00 0.00 59.36 58.50 2git h GLU 74 Cb 1.28 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 30.51 2git h GLU 74 CO 0.65 0.98 -1.74 1.63 -0.73 0.00 0.00 179.01 179.81 2git n LYS 75 N -4.23 0.65 -2.53 1.92 4.01 -1.26 -4.95 118.16 111.77 2git n LYS 75 Ca 0.05 -0.05 -0.41 0.00 -0.51 0.00 0.00 58.31 57.39 2git n LYS 75 Cb 0.26 -1.63 -0.04 0.00 -0.51 0.00 0.00 35.03 33.12 2git n LYS 75 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 2git s ASP 76 N -4.99 7.26 -0.10 4.39 1.01 -1.25 -5.02 116.67 117.97 2git s ASP 76 Ca -0.06 2.01 -0.03 0.00 0.71 0.00 0.00 52.55 55.18 2git s ASP 76 Cb 0.11 -2.59 -0.03 0.00 1.01 0.00 0.00 42.92 41.41 2git s ASP 76 CO 0.86 -0.26 0.03 -1.61 0.21 0.00 0.00 175.17 174.40 2git s GLU 77 N 0.05 3.11 0.11 8.23 2.02 -1.26 -4.76 118.70 126.20 2git s GLU 77 Ca 0.51 -0.36 0.09 0.00 0.02 0.00 0.00 54.97 55.23 2git s GLU 77 Cb -0.28 -2.88 -0.04 0.00 0.10 0.00 0.00 34.13 31.03 2git s GLU 77 CO 0.33 0.70 -0.22 0.71 0.02 0.00 0.00 175.26 176.80 2git s TYR 78 N -0.85 1.86 0.20 1.61 1.51 -1.26 -0.86 117.35 119.56 2git s TYR 78 Ca 0.13 -0.41 -0.11 0.00 -1.01 0.00 0.00 57.07 55.66 2git s TYR 78 Cb -0.12 -1.02 -0.00 0.00 -0.11 0.00 0.00 41.96 40.72 2git s TYR 78 CO 0.03 0.23 0.37 0.00 -1.11 0.00 0.00 175.55 175.07 2git s ALA 79 N -1.18 -0.17 -0.06 3.71 0.00 -0.71 -0.26 121.76 123.09 2git s ALA 79 Ca 0.08 -0.81 0.05 0.00 0.00 0.00 0.00 51.96 51.27 2git s ALA 79 Cb -0.10 0.95 -0.02 0.00 0.00 0.00 0.00 23.12 23.95 2git s ALA 79 CO 0.05 -0.73 -0.20 0.00 0.00 0.00 0.00 175.76 174.87 2git s ARG 81 N -0.28 2.33 -0.06 0.00 3.52 0.35 -0.99 118.95 123.82 2git s ARG 81 Ca 0.01 -0.59 0.04 0.00 -0.13 0.00 0.00 55.73 55.05 2git s ARG 81 Cb -0.13 -2.00 0.00 0.00 -1.56 0.00 0.00 34.95 31.26 2git s ARG 81 CO 0.03 -0.10 -0.19 0.08 -0.81 0.00 0.00 175.30 174.31 2git s VAL 82 N 1.09 1.60 0.08 7.11 1.01 -0.05 -1.08 120.40 130.16 2git s VAL 82 Ca -0.04 -0.78 0.07 0.00 0.00 0.00 0.00 61.98 61.23 2git s VAL 82 Cb -0.14 -1.39 -0.03 0.00 0.00 0.00 0.00 36.38 34.81 2git s VAL 82 CO -0.04 0.46 -0.19 0.21 0.00 0.00 0.00 175.10 175.54 2git s ASN 83 N 0.24 2.30 0.16 3.32 3.84 -0.37 -0.90 114.94 123.52 2git s ASN 83 Ca -0.10 -0.61 -0.21 0.00 0.21 0.00 0.00 52.86 52.14 2git s ASN 83 Cb -0.14 -0.14 0.06 0.00 -0.55 0.00 0.00 41.25 40.48 2git s ASN 83 CO 0.04 0.06 0.56 -2.28 -2.79 0.00 0.00 177.10 172.69 2git s HIS 84 N -1.06 -0.46 0.59 0.43 5.65 -1.26 -1.07 115.29 118.11 2git s HIS 84 Ca 0.05 0.22 0.29 0.00 0.25 0.00 0.00 55.06 55.88 2git s HIS 84 Cb -0.09 0.50 1.76 0.00 -1.18 0.00 0.00 32.58 33.56 2git s HIS 84 CO 0.03 -0.83 2.18 -0.39 -0.65 0.00 0.00 174.74 175.09 2git h VAL 85 N 2.08 0.49 -0.00 0.89 -1.51 -1.94 -2.09 116.25 114.16 2git h VAL 85 Ca -0.34 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.13 2git h VAL 85 Cb 1.30 0.92 0.00 0.00 -2.13 0.00 0.00 31.29 31.38 2git h VAL 85 CO 0.40 0.00 -0.01 0.35 -1.23 0.00 0.00 177.57 177.08 2git n THR 86 N -3.80 0.00 -4.17 7.19 -2.24 -1.26 -4.73 114.28 105.27 2git n THR 86 Ca -0.01 -0.00 -0.34 0.00 -2.27 0.00 0.00 64.05 61.43 2git n THR 86 Cb 0.20 -0.49 -0.13 0.00 -2.10 0.00 0.00 70.33 67.81 2git n THR 86 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2git s LEU 87 N -2.76 3.08 0.40 3.22 1.43 -0.79 -4.99 118.68 118.28 2git s LEU 87 Ca 0.22 -0.26 0.20 0.00 -1.03 0.00 0.00 54.13 53.26 2git s LEU 87 Cb 0.20 -1.77 0.83 0.00 0.03 0.00 0.00 46.19 45.48 2git s LEU 87 CO 0.49 0.07 1.81 0.77 0.23 0.00 0.00 176.35 179.72 2git h SER 88 N 7.44 0.00 -5.10 2.29 4.64 -1.84 -3.42 113.55 117.55 2git h SER 88 Ca -0.35 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 60.84 2git h SER 88 Cb 1.18 0.00 -0.17 0.00 -0.31 0.00 0.00 62.40 63.10 2git h SER 88 CO 0.60 0.32 -0.55 -1.10 -0.87 0.00 0.00 176.83 175.23 2git s GLN 89 N -3.80 0.58 0.22 4.77 -0.21 -1.26 -5.13 119.66 114.83 2git s GLN 89 Ca -0.01 -0.81 -0.31 0.00 0.02 0.00 0.00 55.36 54.25 2git s GLN 89 Cb 0.12 0.22 -0.14 0.00 1.00 0.00 0.00 33.01 34.21 2git s GLN 89 CO 0.67 -0.14 1.26 -2.30 -2.12 0.00 0.00 175.29 172.66 2git n PRO 90 N 0.71 1.61 -3.62 2.91 -0.02 -1.26 -4.93 135.00 130.41 2git n PRO 90 Ca -0.19 0.57 -0.36 0.00 -2.02 0.00 0.00 63.50 61.51 2git n PRO 90 Cb 0.59 -2.13 -0.08 0.00 -0.02 0.00 0.00 33.50 31.85 2git n PRO 90 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 2git s LYS 91 N -0.59 4.16 -0.21 -0.52 2.47 -0.08 -4.89 119.74 120.07 2git s LYS 91 Ca 0.68 -0.12 -0.05 0.00 -1.56 0.00 0.00 55.97 54.93 2git s LYS 91 Cb -0.73 -3.48 -0.02 0.00 -1.46 0.00 0.00 37.83 32.13 2git s LYS 91 CO 0.52 0.15 -0.01 0.42 0.16 0.00 0.00 175.35 176.59 2git s ILE 92 N 0.79 3.78 -0.20 5.43 1.01 -1.26 -0.87 121.20 129.88 2git s ILE 92 Ca 0.11 -0.36 -0.02 0.00 0.00 0.00 0.00 60.65 60.37 2git s ILE 92 Cb -0.13 -2.72 -0.00 0.00 0.01 0.00 0.00 42.46 39.62 2git s ILE 92 CO 0.03 0.42 -0.09 -0.69 0.00 0.00 0.00 174.94 174.61 2git s VAL 93 N 1.19 3.01 0.34 2.92 1.01 -0.17 -4.97 120.40 123.74 2git s VAL 93 Ca 0.03 -0.62 -0.25 0.00 0.00 0.00 0.00 61.98 61.14 2git s VAL 93 Cb -0.15 -2.34 -0.10 0.00 0.00 0.00 0.00 36.38 33.80 2git s VAL 93 CO 0.01 0.47 0.94 -0.54 0.00 0.00 0.00 175.10 175.97 2git s LYS 94 N 1.25 4.50 -0.09 2.72 1.02 -1.26 -0.96 119.74 126.92 2git s LYS 94 Ca 0.03 1.27 -0.30 0.00 0.02 0.00 0.00 55.97 56.99 2git s LYS 94 Cb -0.14 -2.68 -0.02 0.00 -0.52 0.00 0.00 37.83 34.47 2git s LYS 94 CO -0.04 0.22 1.17 -0.46 -0.92 0.00 0.00 175.35 175.32 2git s TRP 95 N -1.73 3.20 -0.29 3.18 -0.00 0.65 -4.86 118.94 119.09 2git s TRP 95 Ca 0.52 1.26 0.00 0.00 -0.00 0.00 0.00 56.10 57.88 2git s TRP 95 Cb -0.17 -3.39 0.05 0.00 -0.00 0.00 0.00 33.47 29.97 2git s TRP 95 CO 0.21 -1.15 -0.04 0.34 -0.00 0.00 0.00 176.95 176.32 2git s ASP 96 N 1.47 4.73 -0.20 5.86 -1.08 -1.26 -4.71 116.67 121.48 2git s ASP 96 Ca 0.54 -1.33 -0.03 0.00 -0.52 0.00 0.00 52.55 51.21 2git s ASP 96 Cb -0.23 -1.65 -0.08 0.00 -1.46 0.00 0.00 42.92 39.50 2git s ASP 96 CO 0.19 -0.24 1.70 -2.11 0.52 0.00 0.00 175.17 175.23 2git n ARG 97 N 4.55 0.96 0.00 4.34 1.85 -1.26 -1.33 116.66 125.78 2git n ARG 97 Ca -0.13 -0.63 0.00 0.00 -1.00 0.00 0.00 57.85 56.09 2git n ARG 97 Cb 0.43 -1.89 0.00 0.00 -1.05 0.00 0.00 32.46 29.95 2git n ARG 97 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 2git n ASP 98 N 3.36 0.00 0.00 2.89 9.92 -1.26 -4.92 116.55 126.54 2git n ASP 98 Ca 0.21 -0.59 0.00 0.00 -0.53 0.00 0.00 54.79 53.88 2git n ASP 98 Cb 0.26 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.74 2git n ASP 98 CO 0.00 0.00 0.00 0.23 0.13 0.00 0.00 177.20 177.56