#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1v27 s SER 2 N 0.00 4.17 -0.50 1.61 0.01 -1.26 -4.60 113.70 113.12 1v27 s SER 2 Ca 0.00 -0.73 0.07 0.00 1.31 0.00 0.00 55.95 56.60 1v27 s SER 2 Cb 0.00 -0.64 0.19 0.00 0.21 0.00 0.00 66.02 65.77 1v27 s SER 2 CO 0.00 0.05 0.69 -0.44 0.41 0.00 0.00 173.24 173.95 1v27 s SER 3 N -3.34 -1.22 0.04 2.44 0.01 -1.26 -5.08 113.70 105.29 1v27 s SER 3 Ca 0.29 -1.79 0.00 0.00 1.31 0.00 0.00 55.95 55.76 1v27 s SER 3 Cb -0.07 1.72 0.00 0.00 0.21 0.00 0.00 66.02 67.88 1v27 s SER 3 CO 0.17 -0.07 0.00 0.61 0.41 0.00 0.00 173.24 174.36 1v27 n GLY 4 N 3.03 -4.57 3.38 3.44 0.00 -1.26 -5.07 105.19 104.14 1v27 n GLY 4 Ca 0.18 -0.26 -0.25 0.00 0.00 0.00 0.00 46.02 45.70 1v27 n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1v27 s SER 5 N -0.33 3.12 -0.28 1.61 1.04 -1.26 -5.10 113.70 112.50 1v27 s SER 5 Ca 0.00 -0.86 -0.25 0.00 0.48 0.00 0.00 55.95 55.32 1v27 s SER 5 Cb 0.00 -0.21 0.12 0.00 0.10 0.00 0.00 66.02 66.02 1v27 s SER 5 CO 0.00 0.06 1.00 -0.44 0.98 0.00 0.00 173.24 174.84 1v27 s SER 6 N -2.65 -0.48 0.07 7.02 0.01 -1.26 -5.08 113.70 111.32 1v27 s SER 6 Ca 0.18 0.93 0.05 0.00 1.31 0.00 0.00 55.95 58.43 1v27 s SER 6 Cb -0.07 0.95 -0.04 0.00 0.21 0.00 0.00 66.02 67.07 1v27 s SER 6 CO 0.08 -0.16 -0.05 -0.83 0.41 0.00 0.00 173.24 172.69 1v27 s GLY 7 N 0.24 1.83 0.00 3.44 0.00 -1.16 -4.54 107.32 107.13 1v27 s GLY 7 Ca 0.03 -1.13 0.00 0.00 0.00 0.00 0.00 44.72 43.62 1v27 s GLY 7 CO -0.05 -1.07 0.00 0.61 0.00 0.00 0.00 173.10 172.58 1v27 n GLY 8 N 0.90 1.60 2.84 0.20 0.00 -1.24 -4.77 105.19 104.72 1v27 n GLY 8 Ca -0.13 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.73 1v27 n GLY 8 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1v27 s GLN 9 N 2.61 0.29 -0.05 1.61 -0.21 -0.95 -1.22 119.66 121.73 1v27 s GLN 9 Ca 0.00 0.03 0.05 0.00 0.02 0.00 0.00 55.36 55.46 1v27 s GLN 9 Cb 0.00 -0.42 -0.02 0.00 1.00 0.00 0.00 33.01 33.57 1v27 s GLN 9 CO 0.00 -0.08 -0.21 -1.17 -2.12 0.00 0.00 175.29 171.71 1v27 s LEU 10 N 0.74 2.34 -0.32 2.90 0.20 0.28 -1.22 118.68 123.61 1v27 s LEU 10 Ca -0.07 -0.38 -0.10 0.00 0.69 0.00 0.00 54.13 54.27 1v27 s LEU 10 Cb -0.11 -1.44 -0.01 0.00 -0.43 0.00 0.00 46.19 44.21 1v27 s LEU 10 CO -0.01 0.30 0.17 -0.44 -0.29 0.00 0.00 176.35 176.07 1v27 s SER 11 N -0.46 5.63 -0.09 3.68 0.01 -0.27 0.19 113.70 122.39 1v27 s SER 11 Ca 0.05 -0.55 0.03 0.00 1.31 0.00 0.00 55.95 56.79 1v27 s SER 11 Cb -0.12 -2.02 0.01 0.00 0.21 0.00 0.00 66.02 64.10 1v27 s SER 11 CO 0.01 -0.21 -0.16 -0.63 0.41 0.00 0.00 173.24 172.66 1v27 s ILE 12 N 1.62 1.48 -0.21 1.44 1.01 -1.17 -1.85 121.20 123.52 1v27 s ILE 12 Ca 0.05 -0.67 -0.05 0.00 0.00 0.00 0.00 60.65 59.97 1v27 s ILE 12 Cb -0.17 -1.33 -0.02 0.00 0.01 0.00 0.00 42.46 40.95 1v27 s ILE 12 CO 0.07 0.43 0.01 -0.75 0.00 0.00 0.00 174.94 174.70 1v27 s LYS 13 N 0.66 3.62 0.17 2.79 2.20 0.59 -3.95 119.74 125.81 1v27 s LYS 13 Ca -0.14 -0.51 0.09 0.00 -0.36 0.00 0.00 55.97 55.05 1v27 s LYS 13 Cb -0.16 -3.13 -0.04 0.00 -1.51 0.00 0.00 37.83 32.99 1v27 s LYS 13 CO 0.04 -0.04 -0.12 -0.51 -0.36 0.00 0.00 175.35 174.36 1v27 s LEU 14 N 1.14 2.88 -0.14 5.43 1.43 -1.26 0.79 118.68 128.96 1v27 s LEU 14 Ca 0.03 -0.60 -0.26 0.00 -1.03 0.00 0.00 54.13 52.27 1v27 s LEU 14 Cb -0.14 -1.60 0.06 0.00 0.03 0.00 0.00 46.19 44.54 1v27 s LEU 14 CO 0.02 0.12 0.63 0.86 0.23 0.00 0.00 176.35 178.21 1v27 s TRP 15 N -1.61 -0.64 -0.14 0.29 -0.11 0.58 -2.03 118.94 115.28 1v27 s TRP 15 Ca 0.23 1.34 -0.04 0.00 1.22 0.00 0.00 56.10 58.85 1v27 s TRP 15 Cb -0.09 0.30 -0.03 0.00 -1.50 0.00 0.00 33.47 32.15 1v27 s TRP 15 CO 0.14 -0.47 0.01 0.12 -4.62 0.00 0.00 176.95 172.14 1v27 s PHE 16 N -0.49 3.15 -0.76 5.86 5.36 -1.26 0.95 117.98 130.80 1v27 s PHE 16 Ca -0.06 -0.01 -0.01 0.00 -0.96 0.00 0.00 56.93 55.89 1v27 s PHE 16 Cb -0.03 -1.95 0.19 0.00 -0.34 0.00 0.00 43.02 40.89 1v27 s PHE 16 CO 0.05 0.20 0.59 -0.51 -1.46 0.00 0.00 175.22 174.09 1v27 s ASP 17 N -0.04 5.45 0.59 6.13 1.01 0.28 -4.88 116.67 125.22 1v27 s ASP 17 Ca 0.04 -3.44 0.39 0.00 0.71 0.00 0.00 52.55 50.25 1v27 s ASP 17 Cb -0.13 -1.83 2.11 0.00 1.01 0.00 0.00 42.92 44.08 1v27 s ASP 17 CO 0.02 -0.23 2.19 0.07 0.21 0.00 0.00 175.17 177.43 1v27 h LYS 18 N 6.25 0.00 0.15 8.23 -0.00 -1.93 1.28 116.57 130.55 1v27 h LYS 18 Ca 0.09 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.74 1v27 h LYS 18 Cb 0.85 0.00 -0.02 0.00 -0.00 0.00 0.00 32.23 33.06 1v27 h LYS 18 CO 0.77 0.00 -0.27 0.28 -0.00 0.00 0.00 179.45 180.23 1v27 h VAL 19 N 0.00 0.00 -0.25 0.07 2.07 -1.95 -3.20 116.25 112.99 1v27 h VAL 19 Ca 0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 1v27 h VAL 19 Cb 0.05 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 29.82 1v27 h VAL 19 CO 0.00 0.00 0.00 0.61 0.02 0.00 0.00 177.57 178.20 1v27 n GLY 20 N -1.27 1.46 3.06 2.17 0.00 -1.02 -4.99 105.19 104.59 1v27 n GLY 20 Ca -0.05 -0.45 -0.12 0.00 0.00 0.00 0.00 46.02 45.41 1v27 n GLY 20 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1v27 n HIS 21 N 0.79 -2.30 -4.20 1.61 -0.00 0.43 -4.70 115.22 106.85 1v27 n HIS 21 Ca 0.12 0.81 -0.19 0.00 -0.00 0.00 0.00 57.72 58.46 1v27 n HIS 21 Cb 0.42 -3.96 -0.12 0.00 -0.00 0.00 0.00 29.99 26.33 1v27 n HIS 21 CO 0.00 0.00 0.00 -0.65 -0.00 0.00 0.00 176.34 175.69 1v27 s GLN 22 N -4.08 0.89 -0.32 -0.41 -0.21 -0.62 0.21 119.66 115.12 1v27 s GLN 22 Ca 0.36 -1.01 -0.13 0.00 0.02 0.00 0.00 55.36 54.60 1v27 s GLN 22 Cb -0.05 -0.94 -0.03 0.00 1.00 0.00 0.00 33.01 32.99 1v27 s GLN 22 CO 0.67 0.21 0.26 -1.17 -2.12 0.00 0.00 175.29 173.14 1v27 s LEU 23 N -1.81 4.34 -0.61 2.90 2.96 0.13 -0.56 118.68 126.03 1v27 s LEU 23 Ca 0.00 -0.22 -0.22 0.00 -0.22 0.00 0.00 54.13 53.47 1v27 s LEU 23 Cb -0.10 -2.20 0.07 0.00 0.50 0.00 0.00 46.19 44.46 1v27 s LEU 23 CO 0.03 -0.21 0.88 -0.63 -1.32 0.00 0.00 176.35 175.10 1v27 s ILE 24 N 1.82 4.47 -0.33 6.68 1.09 0.27 -0.58 121.20 134.62 1v27 s ILE 24 Ca 0.08 -0.37 -0.08 0.00 -1.10 0.00 0.00 60.65 59.19 1v27 s ILE 24 Cb -0.17 -4.59 0.02 0.00 -1.06 0.00 0.00 42.46 36.67 1v27 s ILE 24 CO 0.11 -1.28 0.13 -0.69 -0.10 0.00 0.00 174.94 173.11 1v27 s VAL 25 N 3.67 4.12 -0.23 2.92 1.01 0.27 -0.31 120.40 131.85 1v27 s VAL 25 Ca 0.21 -0.84 -0.04 0.00 0.00 0.00 0.00 61.98 61.30 1v27 s VAL 25 Cb -0.18 -3.23 -0.01 0.00 0.00 0.00 0.00 36.38 32.97 1v27 s VAL 25 CO 0.11 -0.08 -0.02 -0.89 0.00 0.00 0.00 175.10 174.23 1v27 s THR 26 N 1.49 3.53 -0.89 3.92 2.01 0.24 0.17 115.64 126.10 1v27 s THR 26 Ca 0.01 -0.50 -0.20 0.00 0.31 0.00 0.00 61.69 61.32 1v27 s THR 26 Cb -0.18 -2.65 0.12 0.00 0.01 0.00 0.00 72.50 69.80 1v27 s THR 26 CO 0.04 0.36 1.12 -0.63 -0.69 0.00 0.00 174.62 174.83 1v27 s ILE 27 N 1.49 4.61 0.00 1.82 -1.09 -1.12 -0.30 121.20 126.60 1v27 s ILE 27 Ca 0.05 -1.33 0.00 0.00 -2.23 0.00 0.00 60.65 57.14 1v27 s ILE 27 Cb -0.15 -4.78 0.00 0.00 -1.58 0.00 0.00 42.46 35.95 1v27 s ILE 27 CO -0.02 -1.53 0.00 0.18 -1.23 0.00 0.00 174.94 172.34 1v27 n LEU 28 N 6.90 0.00 -3.89 2.97 4.77 -0.77 0.46 117.00 127.44 1v27 n LEU 28 Ca 0.20 0.00 -0.08 0.00 -0.03 0.00 0.00 56.01 56.10 1v27 n LEU 28 Cb 0.49 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.55 1v27 n LEU 28 CO 0.54 0.00 0.40 -0.83 -1.33 0.00 0.00 177.39 176.17 1v27 s GLY 29 N 0.00 0.14 0.19 -0.72 0.00 -1.21 0.47 107.32 106.19 1v27 s GLY 29 Ca 0.00 -0.52 0.09 0.00 0.00 0.00 0.00 44.72 44.29 1v27 s GLY 29 CO 0.00 -0.26 -0.06 0.00 0.00 0.00 0.00 173.10 172.78 1v27 s ALA 30 N -3.74 3.03 0.15 3.20 0.00 -0.54 -1.11 121.76 122.75 1v27 s ALA 30 Ca 0.15 -1.47 -0.05 0.00 0.00 0.00 0.00 51.96 50.58 1v27 s ALA 30 Cb -0.05 -0.80 -0.02 0.00 0.00 0.00 0.00 23.12 22.25 1v27 s ALA 30 CO 0.08 0.45 0.18 -1.59 0.00 0.00 0.00 175.76 174.88 1v27 s LYS 31 N -2.96 1.06 -1.19 0.00 0.00 -0.35 -3.26 119.74 113.04 1v27 s LYS 31 Ca 0.26 -1.30 -0.06 0.00 0.00 0.00 0.00 55.97 54.87 1v27 s LYS 31 Cb -0.09 0.32 -0.02 0.00 0.00 0.00 0.00 37.83 38.04 1v27 s LYS 31 CO 0.17 -0.35 0.81 -0.25 0.00 0.00 0.00 175.35 175.72 1v27 n ASP 32 N -0.16 -3.50 -4.95 0.03 8.00 -1.26 -2.24 116.55 112.47 1v27 n ASP 32 Ca -0.06 -0.81 -0.23 0.00 0.71 0.00 0.00 54.79 54.39 1v27 n ASP 32 Cb 0.63 -4.32 -0.02 0.00 -0.02 0.00 0.00 41.12 37.40 1v27 n ASP 32 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1v27 s LEU 33 N -6.28 4.12 -0.09 0.64 1.02 -1.26 -3.74 118.68 113.09 1v27 s LEU 33 Ca 0.22 0.34 -0.30 0.00 0.02 0.00 0.00 54.13 54.41 1v27 s LEU 33 Cb -0.05 -3.18 -0.03 0.00 0.02 0.00 0.00 46.19 42.96 1v27 s LEU 33 CO 0.80 -0.21 1.24 -2.16 0.02 0.00 0.00 176.35 176.03 1v27 s PRO 34 N -4.15 4.30 0.00 1.29 0.04 -1.26 -5.01 135.00 130.21 1v27 s PRO 34 Ca 0.38 1.69 0.00 0.00 0.04 0.00 0.00 61.00 63.11 1v27 s PRO 34 Cb -0.09 -3.64 0.00 0.00 0.04 0.00 0.00 34.50 30.81 1v27 s PRO 34 CO 0.34 -0.55 0.00 -1.13 0.04 0.00 0.00 177.00 175.69 1v27 n SER 35 N 5.73 1.95 -4.03 6.66 3.41 -1.26 -4.90 113.62 121.18 1v27 n SER 35 Ca 0.12 -0.36 -0.28 0.00 -0.26 0.00 0.00 58.87 58.09 1v27 n SER 35 Cb 0.45 0.00 -0.17 0.00 -0.26 0.00 0.00 64.21 64.24 1v27 n SER 35 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1v27 s ARG 36 N -0.09 2.10 0.00 4.33 0.52 -1.26 -5.05 118.95 119.51 1v27 s ARG 36 Ca 0.00 -0.51 0.00 0.00 -0.52 0.00 0.00 55.73 54.70 1v27 s ARG 36 Cb 0.00 -1.84 0.00 0.00 0.52 0.00 0.00 34.95 33.63 1v27 s ARG 36 CO 0.00 -0.11 0.22 0.39 0.02 0.00 0.00 175.30 175.83 1v27 n GLU 37 N 4.35 0.00 -2.05 3.54 1.02 -1.26 -3.08 120.64 123.16 1v27 n GLU 37 Ca -0.18 0.22 -0.32 0.00 -0.02 0.00 0.00 57.16 56.86 1v27 n GLU 37 Cb 0.51 -0.71 0.03 0.00 -0.02 0.00 0.00 31.44 31.25 1v27 n GLU 37 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1v27 n ASP 38 N -0.46 6.19 0.00 1.62 2.03 -1.26 -4.90 116.55 119.78 1v27 n ASP 38 Ca 0.00 -3.78 0.00 0.00 0.52 0.00 0.00 54.79 51.53 1v27 n ASP 38 Cb 0.00 -0.74 0.00 0.00 -0.72 0.00 0.00 41.12 39.66 1v27 n ASP 38 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1v27 n GLY 39 N -0.60 1.81 3.20 0.27 0.00 -1.18 -5.17 105.19 103.52 1v27 n GLY 39 Ca 0.49 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.42 1v27 n GLY 39 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1v27 s ARG 40 N 3.09 0.83 0.00 1.61 1.81 -1.26 -4.99 118.95 120.04 1v27 s ARG 40 Ca 0.00 -0.97 0.00 0.00 -1.72 0.00 0.00 55.73 53.04 1v27 s ARG 40 Cb 0.00 0.33 0.00 0.00 -0.45 0.00 0.00 34.95 34.83 1v27 s ARG 40 CO 0.00 -0.26 0.00 -0.35 -0.68 0.00 0.00 175.30 174.01 1v27 n PRO 41 N -0.04 0.88 -2.77 3.54 -0.04 -1.26 -4.09 135.00 131.22 1v27 n PRO 41 Ca -0.15 0.00 -0.07 0.00 -0.04 0.00 0.00 63.50 63.24 1v27 n PRO 41 Cb 0.62 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 34.06 1v27 n PRO 41 CO 0.00 0.00 0.00 2.89 -0.04 0.00 0.00 175.50 178.35 1v27 n ARG 42 N -0.10 0.28 -3.81 0.54 1.85 -1.26 -4.91 116.66 109.25 1v27 n ARG 42 Ca 0.00 -1.35 -0.34 0.00 -1.00 0.00 0.00 57.85 55.17 1v27 n ARG 42 Cb 0.00 1.23 -0.11 0.00 -1.05 0.00 0.00 32.46 32.53 1v27 n ARG 42 CO 0.00 0.00 0.00 -0.80 -0.01 0.00 0.00 177.63 176.82 1v27 s ASN 43 N -2.01 4.93 0.61 2.89 0.01 -1.26 -1.12 114.94 118.99 1v27 s ASN 43 Ca 0.15 -3.07 -0.15 0.00 -0.71 0.00 0.00 52.86 49.08 1v27 s ASN 43 Cb -0.00 -1.77 -0.03 0.00 0.41 0.00 0.00 41.25 39.86 1v27 s ASN 43 CO 0.11 -0.28 1.05 -2.16 -1.51 0.00 0.00 177.10 174.30 1v27 s PRO 44 N -0.37 3.30 -0.30 -0.60 0.04 -1.23 -0.95 135.00 134.90 1v27 s PRO 44 Ca 0.18 1.12 -0.16 0.00 0.04 0.00 0.00 61.00 62.19 1v27 s PRO 44 Cb -0.20 -2.03 0.16 0.00 0.04 0.00 0.00 34.50 32.47 1v27 s PRO 44 CO -0.04 -0.82 1.01 1.52 0.04 0.00 0.00 177.00 178.71 1v27 s TYR 45 N -2.60 -0.58 0.72 0.56 -0.85 -0.30 -2.80 117.35 111.50 1v27 s TYR 45 Ca 0.62 1.07 -0.11 0.00 -0.52 0.00 0.00 57.07 58.12 1v27 s TYR 45 Cb -0.15 0.35 0.02 0.00 0.38 0.00 0.00 41.96 42.56 1v27 s TYR 45 CO 0.40 -0.29 1.08 0.08 -1.52 0.00 0.00 175.55 175.31 1v27 s VAL 46 N 1.92 3.58 -0.18 -3.49 1.01 -1.26 -2.47 120.40 119.51 1v27 s VAL 46 Ca -0.05 0.51 -0.05 0.00 0.00 0.00 0.00 61.98 62.39 1v27 s VAL 46 Cb -0.05 -3.41 0.09 0.00 0.00 0.00 0.00 36.38 33.01 1v27 s VAL 46 CO -0.16 -0.67 0.33 -0.75 0.00 0.00 0.00 175.10 173.85 1v27 s LYS 47 N -5.25 0.25 0.18 2.72 2.20 0.10 -3.57 119.74 116.38 1v27 s LYS 47 Ca 0.58 0.73 -0.11 0.00 -0.36 0.00 0.00 55.97 56.81 1v27 s LYS 47 Cb -0.12 -0.15 -0.07 0.00 -1.51 0.00 0.00 37.83 35.97 1v27 s LYS 47 CO 0.53 -0.40 0.53 0.42 -0.36 0.00 0.00 175.35 176.07 1v27 s ILE 48 N 2.50 4.94 -0.25 5.43 1.01 -1.16 -0.92 121.20 132.74 1v27 s ILE 48 Ca 0.04 0.56 -0.02 0.00 0.00 0.00 0.00 60.65 61.23 1v27 s ILE 48 Cb -0.13 -3.66 0.13 0.00 0.01 0.00 0.00 42.46 38.82 1v27 s ILE 48 CO -0.12 0.07 0.36 -0.31 0.00 0.00 0.00 174.94 174.94 1v27 s TYR 49 N -1.66 -0.77 -0.08 3.97 2.02 -0.03 -3.64 117.35 117.16 1v27 s TYR 49 Ca 0.43 0.60 -0.27 0.00 -0.37 0.00 0.00 57.07 57.46 1v27 s TYR 49 Cb -0.13 -0.09 -0.02 0.00 -0.40 0.00 0.00 41.96 41.32 1v27 s TYR 49 CO 0.20 -0.77 0.86 0.12 -1.57 0.00 0.00 175.55 174.39 1v27 s PHE 50 N 2.51 3.55 0.16 2.71 2.19 -1.04 0.05 117.98 128.11 1v27 s PHE 50 Ca 0.11 1.43 0.05 0.00 0.33 0.00 0.00 56.93 58.85 1v27 s PHE 50 Cb -0.15 -3.01 -0.04 0.00 -1.31 0.00 0.00 43.02 38.52 1v27 s PHE 50 CO -0.19 -0.08 0.14 -0.51 1.83 0.00 0.00 175.22 176.41 1v27 s LEU 51 N 1.41 3.80 0.13 6.12 2.01 -0.36 -3.12 118.68 128.68 1v27 s LEU 51 Ca 0.43 -0.13 -0.30 0.00 0.01 0.00 0.00 54.13 54.14 1v27 s LEU 51 Cb -0.18 -2.41 -0.07 0.00 0.01 0.00 0.00 46.19 43.53 1v27 s LEU 51 CO 0.19 0.07 1.14 -2.16 1.01 0.00 0.00 176.35 176.60 1v27 s PRO 52 N -3.10 4.53 0.00 1.29 0.04 -1.26 -3.35 135.00 133.15 1v27 s PRO 52 Ca 0.31 1.74 0.00 0.00 0.04 0.00 0.00 61.00 63.09 1v27 s PRO 52 Cb -0.10 -3.31 0.00 0.00 0.04 0.00 0.00 34.50 31.13 1v27 s PRO 52 CO 0.23 -0.06 0.00 -0.25 0.04 0.00 0.00 177.00 176.96 1v27 n ASP 53 N 2.99 0.00 -1.47 6.66 8.00 -1.18 -5.06 116.55 126.49 1v27 n ASP 53 Ca 0.05 0.00 0.01 0.00 0.71 0.00 0.00 54.79 55.56 1v27 n ASP 53 Cb 0.46 0.00 0.08 0.00 -0.02 0.00 0.00 41.12 41.65 1v27 n ASP 53 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1v27 n ARG 54 N 0.00 1.14 0.00 -1.24 1.74 -1.26 -4.26 116.66 112.77 1v27 n ARG 54 Ca 0.00 -2.87 0.00 0.00 -0.77 0.00 0.00 57.85 54.21 1v27 n ARG 54 Cb 0.00 -0.99 0.00 0.00 -1.02 0.00 0.00 32.46 30.45 1v27 n ARG 54 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 1v27 n SER 55 N -0.30 0.00 -3.49 0.55 7.64 -1.26 -5.15 113.62 111.61 1v27 n SER 55 Ca 0.14 0.00 -0.11 0.00 1.01 0.00 0.00 58.87 59.91 1v27 n SER 55 Cb 0.93 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 64.10 1v27 n SER 55 CO 0.00 0.00 0.00 1.51 -3.01 0.00 0.00 175.04 173.54 1v27 s ASP 56 N 0.95 0.36 -0.44 6.43 -4.77 -1.26 -4.87 116.67 113.07 1v27 s ASP 56 Ca 0.00 -1.20 -0.00 0.00 -3.30 0.00 0.00 52.55 48.04 1v27 s ASP 56 Cb 0.00 0.67 0.00 0.00 -1.09 0.00 0.00 42.92 42.50 1v27 s ASP 56 CO 0.00 -1.31 0.02 0.29 0.70 0.00 0.00 175.17 174.87 1v27 n LYS 57 N -0.49 -0.52 0.00 2.11 5.02 -1.26 -4.76 118.16 118.27 1v27 n LYS 57 Ca -0.02 0.25 0.00 0.00 -2.02 0.00 0.00 58.31 56.52 1v27 n LYS 57 Cb 0.61 -4.00 0.00 0.00 -0.02 0.00 0.00 35.03 31.63 1v27 n LYS 57 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 1v27 n ASN 58 N 0.97 0.00 -2.73 4.39 0.23 -1.26 -5.01 115.26 111.84 1v27 n ASN 58 Ca -0.06 0.00 -0.19 0.00 -0.53 0.00 0.00 54.58 53.80 1v27 n ASN 58 Cb 0.54 0.00 -0.00 0.00 -2.08 0.00 0.00 39.78 38.24 1v27 n ASN 58 CO 0.00 0.00 0.00 2.29 -0.93 0.00 0.00 177.26 178.62 1v27 n LYS 59 N 0.00 2.22 -2.71 -3.83 -0.00 -1.26 -2.49 118.16 110.09 1v27 n LYS 59 Ca 0.00 -3.96 -0.43 0.00 -0.00 0.00 0.00 58.31 53.92 1v27 n LYS 59 Cb 0.00 -1.82 -0.03 0.00 -0.00 0.00 0.00 35.03 33.19 1v27 n LYS 59 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.40 178.43 1v27 s ARG 60 N -3.21 4.16 0.28 -1.58 1.81 -1.24 -4.81 118.95 114.36 1v27 s ARG 60 Ca 0.40 1.14 0.10 0.00 -1.72 0.00 0.00 55.73 55.65 1v27 s ARG 60 Cb 0.39 -3.68 -0.05 0.00 -0.45 0.00 0.00 34.95 31.16 1v27 s ARG 60 CO -0.09 -0.71 -0.07 -0.98 -0.68 0.00 0.00 175.30 172.77 1v27 s ARG 61 N 3.29 2.05 0.79 3.54 3.03 -1.26 -2.97 118.95 127.42 1v27 s ARG 61 Ca 0.42 -1.57 -0.11 0.00 2.03 0.00 0.00 55.73 56.50 1v27 s ARG 61 Cb -0.14 -2.00 0.07 0.00 -1.03 0.00 0.00 34.95 31.85 1v27 s ARG 61 CO 0.10 0.33 1.15 0.95 -1.13 0.00 0.00 175.30 176.71 1v27 s THR 62 N -2.41 2.15 0.60 4.99 -4.23 -1.23 -5.01 115.64 110.50 1v27 s THR 62 Ca 0.31 0.00 -0.20 0.00 -1.18 0.00 0.00 61.69 60.63 1v27 s THR 62 Cb -0.05 -3.04 -0.03 0.00 1.34 0.00 0.00 72.50 70.72 1v27 s THR 62 CO 0.18 -0.05 1.30 2.29 -0.54 0.00 0.00 174.62 177.80 1v27 n LYS 63 N -3.25 1.34 -2.64 3.99 2.85 -1.26 -4.79 118.16 114.41 1v27 n LYS 63 Ca 0.08 0.51 -0.43 0.00 -1.05 0.00 0.00 58.31 57.42 1v27 n LYS 63 Cb 0.61 -2.53 -0.02 0.00 -0.65 0.00 0.00 35.03 32.44 1v27 n LYS 63 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 1v27 s THR 64 N -1.35 4.29 0.34 0.58 2.01 -1.26 -4.84 115.64 115.42 1v27 s THR 64 Ca 0.78 1.25 -0.25 0.00 0.31 0.00 0.00 61.69 63.78 1v27 s THR 64 Cb -0.40 -4.55 -0.10 0.00 0.01 0.00 0.00 72.50 67.46 1v27 s THR 64 CO 0.44 -0.90 0.93 -0.69 -0.69 0.00 0.00 174.62 173.72 1v27 s VAL 65 N 4.22 4.27 -0.12 3.82 1.01 -1.12 -5.02 120.40 127.47 1v27 s VAL 65 Ca 0.46 1.72 -0.00 0.00 0.00 0.00 0.00 61.98 64.16 1v27 s VAL 65 Cb -0.08 -3.91 -0.02 0.00 0.00 0.00 0.00 36.38 32.37 1v27 s VAL 65 CO 0.28 0.04 -0.10 -0.54 0.00 0.00 0.00 175.10 174.78 1v27 s LYS 66 N -2.31 3.25 -0.05 2.72 -0.14 -1.26 -3.48 119.74 118.47 1v27 s LYS 66 Ca 0.53 -0.63 -0.00 0.00 -1.36 0.00 0.00 55.97 54.50 1v27 s LYS 66 Cb -0.16 -2.65 0.00 0.00 -1.68 0.00 0.00 37.83 33.34 1v27 s LYS 66 CO 0.21 0.33 0.00 1.63 -0.76 0.00 0.00 175.35 176.77 1v27 n LYS 67 N 3.20 -0.94 -3.16 1.68 5.02 -0.28 -4.97 118.16 118.72 1v27 n LYS 67 Ca -0.18 1.17 0.05 0.00 -2.02 0.00 0.00 58.31 57.34 1v27 n LYS 67 Cb 0.53 -1.72 -0.02 0.00 -0.02 0.00 0.00 35.03 33.79 1v27 n LYS 67 CO 0.00 0.00 0.00 -0.08 -0.52 0.00 0.00 177.40 176.80 1v27 s THR 68 N -1.00 -0.08 -0.25 -0.18 -1.32 -1.12 -4.94 115.64 106.74 1v27 s THR 68 Ca -0.01 0.00 0.27 0.00 -1.21 0.00 0.00 61.69 60.75 1v27 s THR 68 Cb 0.00 -1.00 0.35 0.00 -1.51 0.00 0.00 72.50 70.34 1v27 s THR 68 CO 0.14 0.00 1.78 -0.07 -2.21 0.00 0.00 174.62 174.25 1v27 h LEU 69 N 7.78 0.00 -6.99 9.08 -0.00 -1.95 -3.37 115.31 119.86 1v27 h LEU 69 Ca -0.11 0.00 -0.62 0.00 -0.00 0.00 0.00 57.88 57.16 1v27 h LEU 69 Cb 1.17 0.00 -0.40 0.00 -0.00 0.00 0.00 40.66 41.42 1v27 h LEU 69 CO -0.16 0.00 -0.71 -1.61 -0.00 0.00 0.00 178.44 175.96 1v27 s GLU 70 N -3.39 1.66 0.39 1.13 2.02 -1.26 -3.99 118.70 115.26 1v27 s GLU 70 Ca 0.05 -2.47 -0.24 0.00 0.02 0.00 0.00 54.97 52.32 1v27 s GLU 70 Cb 0.07 -2.66 -0.09 0.00 0.10 0.00 0.00 34.13 31.56 1v27 s GLU 70 CO 0.60 -1.22 1.06 -1.25 0.02 0.00 0.00 175.26 174.47 1v27 s PRO 71 N -0.27 4.20 -0.35 0.39 0.04 -1.20 -4.84 135.00 132.97 1v27 s PRO 71 Ca 0.21 1.55 0.00 0.00 0.04 0.00 0.00 61.00 62.80 1v27 s PRO 71 Cb -0.16 -2.60 0.11 0.00 0.04 0.00 0.00 34.50 31.90 1v27 s PRO 71 CO -0.07 -0.12 0.15 0.15 0.04 0.00 0.00 177.00 177.15 1v27 s LYS 72 N -2.40 0.89 -0.15 4.56 1.02 -1.26 -1.47 119.74 120.93 1v27 s LYS 72 Ca 0.57 -1.38 -0.13 0.00 0.02 0.00 0.00 55.97 55.04 1v27 s LYS 72 Cb -0.23 -2.07 -0.24 0.00 -0.52 0.00 0.00 37.83 34.77 1v27 s LYS 72 CO 0.29 -1.05 0.33 -1.49 -0.92 0.00 0.00 175.35 172.51 1v27 h TRP 73 N 7.61 0.32 -6.07 3.18 6.55 -0.26 -3.48 115.95 123.80 1v27 h TRP 73 Ca -0.08 -0.23 -0.34 0.00 0.95 0.00 0.00 58.89 59.19 1v27 h TRP 73 Cb 0.99 -0.01 -0.19 0.00 -0.86 0.00 0.00 29.16 29.08 1v27 h TRP 73 CO 0.40 1.66 -0.49 0.09 -1.05 0.00 0.00 178.44 179.05 1v27 n ASN 74 N -3.86 -1.75 -3.15 -3.49 4.13 0.18 -4.88 115.26 102.43 1v27 n ASN 74 Ca -0.31 -0.42 -0.13 0.00 1.68 0.00 0.00 54.58 55.39 1v27 n ASN 74 Cb 0.91 -1.56 0.08 0.00 -1.54 0.00 0.00 39.78 37.67 1v27 n ASN 74 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1v27 n GLN 75 N -3.38 -0.20 -4.10 3.52 1.13 -1.14 -4.87 117.38 108.35 1v27 n GLN 75 Ca 0.05 -1.24 -0.14 0.00 -1.94 0.00 0.00 57.00 53.73 1v27 n GLN 75 Cb 0.48 -0.52 -0.13 0.00 0.11 0.00 0.00 30.24 30.18 1v27 n GLN 75 CO 0.00 0.00 0.00 0.99 -1.44 0.00 0.00 177.06 176.61 1v27 s THR 76 N -1.97 0.41 -0.13 5.09 2.01 -1.26 -2.81 115.64 116.97 1v27 s THR 76 Ca 0.36 -0.51 -0.04 0.00 0.31 0.00 0.00 61.69 61.82 1v27 s THR 76 Cb -0.01 -0.40 0.05 0.00 0.01 0.00 0.00 72.50 72.14 1v27 s THR 76 CO 0.25 -0.07 0.07 -0.36 -0.69 0.00 0.00 174.62 173.81 1v27 s PHE 77 N -0.56 0.31 -0.15 4.92 0.08 0.44 -4.94 117.98 118.07 1v27 s PHE 77 Ca -0.03 -0.23 -0.15 0.00 0.12 0.00 0.00 56.93 56.64 1v27 s PHE 77 Cb -0.05 -0.69 -0.04 0.00 -0.57 0.00 0.00 43.02 41.67 1v27 s PHE 77 CO -0.00 -0.43 0.35 0.42 -0.10 0.00 0.00 175.22 175.46 1v27 s ILE 78 N 2.09 5.26 -0.22 0.64 1.01 -1.25 0.94 121.20 129.67 1v27 s ILE 78 Ca 0.03 0.67 0.01 0.00 0.00 0.00 0.00 60.65 61.36 1v27 s ILE 78 Cb -0.15 -3.69 0.05 0.00 0.01 0.00 0.00 42.46 38.68 1v27 s ILE 78 CO -0.07 0.36 -0.08 -0.31 0.00 0.00 0.00 174.94 174.84 1v27 s TYR 79 N 0.61 2.51 0.12 3.97 2.02 0.26 -4.88 117.35 121.95 1v27 s TYR 79 Ca 0.19 -1.76 -0.07 0.00 -0.37 0.00 0.00 57.07 55.06 1v27 s TYR 79 Cb -0.14 -1.64 -0.01 0.00 -0.40 0.00 0.00 41.96 39.77 1v27 s TYR 79 CO 0.06 -0.77 0.18 -1.54 -1.57 0.00 0.00 175.55 171.90 1v27 s SER 80 N 1.36 0.16 0.31 2.29 1.04 -1.26 0.20 113.70 117.80 1v27 s SER 80 Ca -0.04 -0.84 -0.28 0.00 0.48 0.00 0.00 55.95 55.26 1v27 s SER 80 Cb -0.18 0.35 -0.09 0.00 0.10 0.00 0.00 66.02 66.20 1v27 s SER 80 CO -0.07 -0.77 1.07 -2.16 0.98 0.00 0.00 173.24 172.29 1v27 s PRO 81 N -3.93 4.51 -0.22 4.02 0.04 -1.26 -5.07 135.00 133.10 1v27 s PRO 81 Ca 0.12 1.69 -0.03 0.00 0.04 0.00 0.00 61.00 62.83 1v27 s PRO 81 Cb 0.05 -3.00 0.07 0.00 0.04 0.00 0.00 34.50 31.66 1v27 s PRO 81 CO -0.05 0.13 0.05 0.08 0.04 0.00 0.00 177.00 177.25 1v27 s VAL 82 N -1.31 0.54 0.42 -0.36 1.01 0.55 -4.98 120.40 116.27 1v27 s VAL 82 Ca 0.48 -0.69 0.04 0.00 0.00 0.00 0.00 61.98 61.81 1v27 s VAL 82 Cb -0.29 -1.12 0.00 0.00 0.00 0.00 0.00 36.38 34.98 1v27 s VAL 82 CO 0.36 -0.31 0.60 -1.00 0.00 0.00 0.00 175.10 174.76 1v27 s HIS 83 N 1.84 3.04 -0.34 5.22 3.76 -1.26 -3.85 115.29 123.69 1v27 s HIS 83 Ca 0.01 -0.09 0.21 0.00 -0.15 0.00 0.00 55.06 55.05 1v27 s HIS 83 Cb -0.17 -2.30 0.30 0.00 1.11 0.00 0.00 32.58 31.52 1v27 s HIS 83 CO -0.12 -0.35 1.58 -0.09 -0.85 0.00 0.00 174.74 174.91 1v27 h ARG 84 N 0.55 0.00 -0.00 1.40 9.65 -1.99 -2.98 114.38 121.01 1v27 h ARG 84 Ca -0.44 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.44 1v27 h ARG 84 Cb 1.27 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.85 1v27 h ARG 84 CO 0.52 0.13 -0.15 2.89 2.80 0.00 0.00 179.97 186.17 1v27 n ARG 85 N -3.14 0.17 -0.03 0.20 -4.01 -1.26 -3.32 116.66 105.27 1v27 n ARG 85 Ca 0.03 -0.05 -0.05 0.00 -1.04 0.00 0.00 57.85 56.75 1v27 n ARG 85 Cb 0.58 -1.50 -0.13 0.00 -3.04 0.00 0.00 32.46 28.37 1v27 n ARG 85 CO 0.00 0.00 0.00 0.39 -3.04 0.00 0.00 177.63 174.98 1v27 n GLU 86 N -1.37 0.65 -0.37 2.89 -0.58 -1.13 -4.36 120.64 116.36 1v27 n GLU 86 Ca 0.09 0.16 -0.02 0.00 -0.42 0.00 0.00 57.16 56.96 1v27 n GLU 86 Cb 0.32 -1.70 0.02 0.00 -0.57 0.00 0.00 31.44 29.51 1v27 n GLU 86 CO 0.00 0.00 0.00 0.74 -0.48 0.00 0.00 177.13 177.39 1v27 h PHE 87 N 0.00 -1.16 -0.63 -0.32 -1.00 -1.54 0.33 116.94 112.62 1v27 h PHE 87 Ca -0.30 0.11 0.11 0.00 2.81 0.00 0.00 57.97 60.69 1v27 h PHE 87 Cb 1.88 0.65 -0.12 0.00 3.61 0.00 0.00 35.95 41.97 1v27 h PHE 87 CO 0.00 -0.40 -0.32 -0.09 -1.61 0.00 0.00 178.31 175.89 1v27 h ARG 88 N -0.01 -0.13 -1.66 1.51 2.43 -1.78 0.32 114.38 115.06 1v27 h ARG 88 Ca 0.32 0.01 -0.48 0.00 -0.81 0.00 0.00 59.98 59.02 1v27 h ARG 88 Cb 0.58 0.03 -0.19 0.00 -0.42 0.00 0.00 29.97 29.97 1v27 h ARG 88 CO -0.96 -0.09 0.53 0.39 -1.51 0.00 0.00 179.97 178.33 1v27 n GLU 89 N -5.44 2.24 -3.62 0.20 1.02 0.11 -4.80 120.64 110.34 1v27 n GLU 89 Ca 0.05 -2.28 -0.15 0.00 -0.02 0.00 0.00 57.16 54.76 1v27 n GLU 89 Cb 0.36 -1.97 -0.07 0.00 -0.02 0.00 0.00 31.44 29.74 1v27 n GLU 89 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 1v27 s ARG 90 N -2.28 0.84 -0.18 3.49 0.52 0.11 -4.69 118.95 116.76 1v27 s ARG 90 Ca 0.48 0.72 -0.14 0.00 -0.52 0.00 0.00 55.73 56.27 1v27 s ARG 90 Cb 0.35 0.40 0.05 0.00 0.52 0.00 0.00 34.95 36.28 1v27 s ARG 90 CO -0.12 -0.15 0.46 1.41 0.02 0.00 0.00 175.30 176.92 1v27 s MET 91 N -0.08 0.51 -0.02 3.54 -2.45 -1.21 -3.01 119.30 116.57 1v27 s MET 91 Ca -0.03 0.71 -0.16 0.00 -1.25 0.00 0.00 55.69 54.96 1v27 s MET 91 Cb -0.04 0.18 -0.05 0.00 1.25 0.00 0.00 34.83 36.17 1v27 s MET 91 CO 0.03 -0.09 0.45 -0.51 1.05 0.00 0.00 175.02 175.95 1v27 s LEU 92 N 0.63 4.44 -0.34 4.11 1.43 0.03 -1.22 118.68 127.76 1v27 s LEU 92 Ca -0.03 0.97 0.03 0.00 -1.03 0.00 0.00 54.13 54.08 1v27 s LEU 92 Cb -0.05 -2.66 0.10 0.00 0.03 0.00 0.00 46.19 43.61 1v27 s LEU 92 CO -0.04 0.24 0.05 -0.70 0.23 0.00 0.00 176.35 176.13 1v27 s GLU 93 N -0.67 1.42 -0.13 1.70 2.12 0.11 -1.35 118.70 121.89 1v27 s GLU 93 Ca 0.25 -1.79 -0.08 0.00 0.36 0.00 0.00 54.97 53.71 1v27 s GLU 93 Cb -0.17 -3.08 -0.04 0.00 0.26 0.00 0.00 34.13 31.10 1v27 s GLU 93 CO 0.13 -0.94 0.15 0.42 -0.54 0.00 0.00 175.26 174.49 1v27 s ILE 94 N 0.98 5.47 0.02 -3.70 1.09 -0.17 -0.85 121.20 124.02 1v27 s ILE 94 Ca 0.10 0.24 0.01 0.00 -1.10 0.00 0.00 60.65 59.90 1v27 s ILE 94 Cb -0.19 -3.43 -0.01 0.00 -1.06 0.00 0.00 42.46 37.77 1v27 s ILE 94 CO -0.10 0.57 -0.04 0.42 -0.10 0.00 0.00 174.94 175.70 1v27 s THR 95 N -0.69 0.22 -0.11 2.92 -4.23 -0.10 0.21 115.64 113.85 1v27 s THR 95 Ca 0.14 -0.61 0.01 0.00 -1.18 0.00 0.00 61.69 60.05 1v27 s THR 95 Cb -0.12 -0.28 -0.01 0.00 1.34 0.00 0.00 72.50 73.43 1v27 s THR 95 CO 0.03 -0.26 -0.16 -0.22 -0.54 0.00 0.00 174.62 173.47 1v27 s LEU 96 N -0.91 2.54 0.27 4.79 2.96 -0.18 0.00 118.68 128.16 1v27 s LEU 96 Ca -0.08 -0.38 0.03 0.00 -0.22 0.00 0.00 54.13 53.48 1v27 s LEU 96 Cb -0.06 -1.55 -0.03 0.00 0.50 0.00 0.00 46.19 45.05 1v27 s LEU 96 CO -0.00 0.18 0.23 0.26 -1.32 0.00 0.00 176.35 175.70 1v27 s TRP 97 N 0.22 1.45 -0.38 5.38 0.52 -1.03 0.11 118.94 125.21 1v27 s TRP 97 Ca -0.10 -1.51 0.03 0.00 0.02 0.00 0.00 56.10 54.54 1v27 s TRP 97 Cb -0.16 -0.60 0.11 0.00 -1.15 0.00 0.00 33.47 31.67 1v27 s TRP 97 CO 0.06 -0.79 0.12 0.34 0.02 0.00 0.00 176.95 176.70 1v27 s ASP 98 N -3.27 4.46 -0.49 2.95 2.15 -1.26 -1.15 116.67 120.06 1v27 s ASP 98 Ca 0.39 -2.28 -0.43 0.00 0.43 0.00 0.00 52.55 50.66 1v27 s ASP 98 Cb 0.04 -1.45 -0.19 0.00 -0.30 0.00 0.00 42.92 41.02 1v27 s ASP 98 CO 0.20 -0.35 2.09 1.67 -0.17 0.00 0.00 175.17 178.61 1v27 n GLN 99 N 4.07 0.00 0.00 4.34 7.27 -0.12 -4.61 117.38 128.32 1v27 n GLN 99 Ca 0.04 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.11 1v27 n GLN 99 Cb 0.39 -1.47 0.00 0.00 2.41 0.00 0.00 30.24 31.57 1v27 n GLN 99 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1v27 n ALA 100 N 7.25 0.55 -1.75 1.69 0.00 -1.26 -4.55 120.51 122.43 1v27 n ALA 100 Ca 0.53 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.64 1v27 n ALA 100 Cb -0.04 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.39 1v27 n ALA 100 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 1v27 s ARG 101 N 0.00 3.62 0.32 0.00 6.06 -1.25 -5.06 118.95 122.64 1v27 s ARG 101 Ca 0.00 1.29 -0.02 0.00 -2.50 0.00 0.00 55.73 54.51 1v27 s ARG 101 Cb 0.00 -2.07 0.07 0.00 0.06 0.00 0.00 34.95 33.00 1v27 s ARG 101 CO 0.00 -0.57 0.44 1.33 -2.50 0.00 0.00 175.30 173.99 1v27 n VAL 102 N -1.39 0.00 -2.48 7.11 0.24 -1.26 -4.22 118.33 116.33 1v27 n VAL 102 Ca 0.09 -0.59 -0.19 0.00 -2.04 0.00 0.00 64.34 61.61 1v27 n VAL 102 Cb 0.53 -1.32 -0.00 0.00 -1.47 0.00 0.00 33.84 31.57 1v27 n VAL 102 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1v27 n ARG 103 N -1.84 -2.13 -3.13 7.34 1.74 -1.26 -3.51 116.66 113.88 1v27 n ARG 103 Ca 0.07 0.89 -0.09 0.00 -0.77 0.00 0.00 57.85 57.95 1v27 n ARG 103 Cb 0.24 -5.56 0.01 0.00 -1.02 0.00 0.00 32.46 26.13 1v27 n ARG 103 CO 0.00 0.00 0.00 -1.91 -1.52 0.00 0.00 177.63 174.20 1v27 n GLU 104 N -3.07 -1.52 -3.56 5.56 0.00 -1.26 -5.02 120.64 111.77 1v27 n GLU 104 Ca -0.21 1.48 -0.06 0.00 0.00 0.00 0.00 57.16 58.36 1v27 n GLU 104 Cb 0.66 -2.60 -0.02 0.00 0.00 0.00 0.00 31.44 29.48 1v27 n GLU 104 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.13 175.13 1v27 s GLU 105 N -1.61 0.54 -0.09 5.31 2.12 -1.23 -5.10 118.70 118.65 1v27 s GLU 105 Ca 0.11 -0.17 -0.06 0.00 0.36 0.00 0.00 54.97 55.20 1v27 s GLU 105 Cb -0.02 0.25 0.02 0.00 0.26 0.00 0.00 34.13 34.65 1v27 s GLU 105 CO 0.43 -0.23 0.13 0.39 -0.54 0.00 0.00 175.26 175.44 1v27 n GLU 106 N -0.08 -3.38 -5.05 4.30 1.02 -1.26 -3.90 120.64 112.28 1v27 n GLU 106 Ca -0.04 2.60 -0.32 0.00 -0.02 0.00 0.00 57.16 59.38 1v27 n GLU 106 Cb 0.60 -3.43 -0.15 0.00 -0.02 0.00 0.00 31.44 28.44 1v27 n GLU 106 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 1v27 s SER 107 N -0.41 3.60 -0.05 1.62 1.04 -1.26 -3.98 113.70 114.26 1v27 s SER 107 Ca -0.15 -0.34 0.05 0.00 0.48 0.00 0.00 55.95 55.99 1v27 s SER 107 Cb 0.01 -0.82 -0.25 0.00 0.10 0.00 0.00 66.02 65.07 1v27 s SER 107 CO 0.40 0.30 0.64 -0.08 0.98 0.00 0.00 173.24 175.49 1v27 h GLU 108 N 5.69 0.11 -4.42 4.02 4.81 -1.81 -3.42 114.58 119.55 1v27 h GLU 108 Ca -0.40 -0.19 0.00 0.00 -0.13 0.00 0.00 59.36 58.64 1v27 h GLU 108 Cb 1.16 0.07 0.00 0.00 0.63 0.00 0.00 28.75 30.61 1v27 h GLU 108 CO 0.49 0.81 -0.88 0.34 -0.73 0.00 0.00 179.01 179.05 1v27 n PHE 109 N -3.24 -4.51 -0.04 0.92 7.35 -1.26 -4.91 117.46 111.77 1v27 n PHE 109 Ca -0.20 2.71 -0.10 0.00 -0.76 0.00 0.00 57.45 59.10 1v27 n PHE 109 Cb 1.04 -3.43 -0.14 0.00 0.35 0.00 0.00 39.48 37.30 1v27 n PHE 109 CO 0.00 0.00 0.00 1.28 -0.76 0.00 0.00 176.76 177.28 1v27 n LEU 110 N 1.92 0.97 0.00 -2.13 4.77 0.30 -4.70 117.00 118.14 1v27 n LEU 110 Ca 0.00 0.30 0.00 0.00 -0.03 0.00 0.00 56.01 56.28 1v27 n LEU 110 Cb 0.00 0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.15 1v27 n LEU 110 CO 0.00 0.48 0.00 0.61 -1.33 0.00 0.00 177.39 177.15 1v27 n GLY 111 N 1.66 -0.92 2.93 -0.72 0.00 -0.79 -2.97 105.19 104.36 1v27 n GLY 111 Ca -0.22 -1.16 -0.11 0.00 0.00 0.00 0.00 46.02 44.53 1v27 n GLY 111 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1v27 s GLU 112 N -2.00 0.17 -0.26 1.61 -1.05 -1.19 -1.01 118.70 114.97 1v27 s GLU 112 Ca 0.00 -0.27 0.01 0.00 -0.15 0.00 0.00 54.97 54.55 1v27 s GLU 112 Cb 0.00 0.00 0.07 0.00 -0.44 0.00 0.00 34.13 33.76 1v27 s GLU 112 CO 0.00 -0.01 -0.00 0.42 0.95 0.00 0.00 175.26 176.62 1v27 s ILE 113 N -0.61 1.45 -0.11 1.83 1.01 0.55 -3.18 121.20 122.14 1v27 s ILE 113 Ca -0.06 -1.38 -0.15 0.00 0.00 0.00 0.00 60.65 59.05 1v27 s ILE 113 Cb -0.04 -1.85 -0.05 0.00 0.01 0.00 0.00 42.46 40.53 1v27 s ILE 113 CO -0.00 -0.30 0.38 -0.76 0.00 0.00 0.00 174.94 174.26 1v27 s LEU 114 N 1.40 4.31 0.03 2.97 2.01 -1.26 -1.00 118.68 127.13 1v27 s LEU 114 Ca 0.00 0.72 0.01 0.00 0.01 0.00 0.00 54.13 54.87 1v27 s LEU 114 Cb -0.18 -2.52 -0.02 0.00 0.01 0.00 0.00 46.19 43.47 1v27 s LEU 114 CO -0.10 0.13 -0.05 -0.63 1.01 0.00 0.00 176.35 176.71 1v27 s ILE 115 N 0.12 0.28 -0.02 -0.59 1.01 -0.46 -5.01 121.20 116.53 1v27 s ILE 115 Ca 0.21 -0.95 0.05 0.00 0.00 0.00 0.00 60.65 59.96 1v27 s ILE 115 Cb -0.15 -0.39 -0.03 0.00 0.01 0.00 0.00 42.46 41.90 1v27 s ILE 115 CO 0.08 -0.44 -0.16 -1.61 0.00 0.00 0.00 174.94 172.82 1v27 s GLU 116 N -1.46 2.38 0.11 2.79 2.02 -1.26 -0.79 118.70 122.49 1v27 s GLU 116 Ca -0.13 -0.78 0.27 0.00 0.02 0.00 0.00 54.97 54.36 1v27 s GLU 116 Cb -0.10 -2.32 1.00 0.00 0.10 0.00 0.00 34.13 32.81 1v27 s GLU 116 CO -0.00 0.60 1.83 1.28 0.02 0.00 0.00 175.26 178.99 1v27 n LEU 117 N 2.11 0.43 0.11 1.80 4.32 -1.16 0.35 117.00 124.96 1v27 n LEU 117 Ca -0.17 0.53 -0.01 0.00 -0.02 0.00 0.00 56.01 56.34 1v27 n LEU 117 Cb 0.52 -0.40 0.27 0.00 -1.62 0.00 0.00 43.42 42.19 1v27 n LEU 117 CO 0.26 -0.09 0.69 -0.08 -1.22 0.00 0.00 177.39 176.95 1v27 h GLU 118 N 0.00 0.20 0.00 3.23 4.81 -1.75 -3.24 114.58 117.82 1v27 h GLU 118 Ca 0.00 -0.08 0.00 0.00 -0.13 0.00 0.00 59.36 59.15 1v27 h GLU 118 Cb 0.63 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.00 1v27 h GLU 118 CO 0.00 0.54 0.00 0.25 -0.73 0.00 0.00 179.01 179.07 1v27 n THR 119 N -4.07 0.00 -1.49 0.32 -2.24 -1.19 -4.89 114.28 100.71 1v27 n THR 119 Ca -0.01 -0.35 -0.52 0.00 -2.27 0.00 0.00 64.05 60.90 1v27 n THR 119 Cb 0.44 1.25 -0.05 0.00 -2.10 0.00 0.00 70.33 69.87 1v27 n THR 119 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1v27 n ALA 120 N -0.10 -2.37 -3.18 6.98 0.00 0.16 -4.84 120.51 117.15 1v27 n ALA 120 Ca 0.00 0.50 -0.45 0.00 0.00 0.00 0.00 53.44 53.48 1v27 n ALA 120 Cb 0.06 -1.80 -0.02 0.00 0.00 0.00 0.00 19.45 17.69 1v27 n ALA 120 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.50 177.02 1v27 s LEU 121 N 1.22 6.04 -0.36 0.00 0.05 -1.26 -4.98 118.68 119.39 1v27 s LEU 121 Ca 0.75 -2.73 -0.22 0.00 0.05 0.00 0.00 54.13 51.98 1v27 s LEU 121 Cb -1.00 -2.28 0.01 0.00 -2.05 0.00 0.00 46.19 40.86 1v27 s LEU 121 CO 0.55 -0.67 0.73 -0.76 -0.55 0.00 0.00 176.35 175.65 1v27 s LEU 122 N 0.72 4.18 -0.09 1.48 1.43 -1.26 -4.70 118.68 120.44 1v27 s LEU 122 Ca 0.27 0.27 0.03 0.00 -1.03 0.00 0.00 54.13 53.67 1v27 s LEU 122 Cb -0.08 -2.94 0.11 0.00 0.03 0.00 0.00 46.19 43.31 1v27 s LEU 122 CO -0.08 -0.68 0.78 -0.67 0.23 0.00 0.00 176.35 175.92 1v27 n ASP 123 N 6.28 -0.63 -3.66 2.29 2.03 -1.13 -4.77 116.55 116.97 1v27 n ASP 123 Ca 0.01 -1.32 -0.25 0.00 0.52 0.00 0.00 54.79 53.76 1v27 n ASP 123 Cb 0.48 0.25 -0.04 0.00 -0.72 0.00 0.00 41.12 41.09 1v27 n ASP 123 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 1v27 n ASP 124 N -0.41 -1.69 -4.44 1.67 2.03 -0.86 -4.86 116.55 107.99 1v27 n ASP 124 Ca -0.12 -0.50 -0.36 0.00 0.52 0.00 0.00 54.79 54.33 1v27 n ASP 124 Cb 0.59 -1.51 -0.13 0.00 -0.72 0.00 0.00 41.12 39.35 1v27 n ASP 124 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 1v27 s GLU 125 N -6.28 3.64 -0.09 -0.67 2.02 -1.26 -4.98 118.70 111.08 1v27 s GLU 125 Ca 0.48 -0.49 -0.30 0.00 0.02 0.00 0.00 54.97 54.68 1v27 s GLU 125 Cb -0.28 -3.29 -0.03 0.00 0.10 0.00 0.00 34.13 30.64 1v27 s GLU 125 CO 0.59 -0.17 1.24 -1.25 0.02 0.00 0.00 175.26 175.69 1v27 s PRO 126 N 1.56 4.30 0.01 0.39 0.04 -1.26 -4.56 135.00 135.47 1v27 s PRO 126 Ca 0.06 1.70 0.06 0.00 0.04 0.00 0.00 61.00 62.86 1v27 s PRO 126 Cb -0.15 -3.64 -0.02 0.00 0.04 0.00 0.00 34.50 30.73 1v27 s PRO 126 CO 0.03 -0.56 -0.19 -1.01 0.04 0.00 0.00 177.00 175.31 1v27 s HIS 127 N 2.75 1.66 -0.56 0.56 3.76 -1.25 -5.02 115.29 117.19 1v27 s HIS 127 Ca 0.56 -0.33 -0.24 0.00 -0.15 0.00 0.00 55.06 54.90 1v27 s HIS 127 Cb -0.24 -1.04 0.04 0.00 1.11 0.00 0.00 32.58 32.45 1v27 s HIS 127 CO 0.19 0.01 0.92 -1.58 -0.85 0.00 0.00 174.74 173.44 1v27 s TRP 128 N -0.56 2.80 -0.18 1.40 0.52 -1.26 -3.02 118.94 118.64 1v27 s TRP 128 Ca 0.07 -0.09 -0.20 0.00 0.02 0.00 0.00 56.10 55.91 1v27 s TRP 128 Cb -0.08 -4.05 -0.03 0.00 -1.15 0.00 0.00 33.47 28.16 1v27 s TRP 128 CO 0.00 -1.35 0.57 0.71 0.02 0.00 0.00 176.95 176.89 1v27 s TYR 129 N 3.87 3.41 0.39 -1.98 2.02 0.49 -4.83 117.35 120.73 1v27 s TYR 129 Ca 0.29 0.88 -0.25 0.00 -0.37 0.00 0.00 57.07 57.62 1v27 s TYR 129 Cb -0.13 -2.71 -0.09 0.00 -0.40 0.00 0.00 41.96 38.63 1v27 s TYR 129 CO 0.18 -0.07 1.13 0.15 -1.57 0.00 0.00 175.55 175.37 1v27 s LYS 130 N 1.52 4.12 -0.07 -0.62 1.02 -1.26 1.00 119.74 125.45 1v27 s LYS 130 Ca 0.27 1.75 -0.06 0.00 0.02 0.00 0.00 55.97 57.95 1v27 s LYS 130 Cb -0.16 -2.68 -0.04 0.00 -0.52 0.00 0.00 37.83 34.44 1v27 s LYS 130 CO 0.11 -0.23 0.17 -0.51 -0.92 0.00 0.00 175.35 173.96 1v27 s LEU 131 N -2.46 4.38 -0.20 3.17 1.43 -0.36 -4.83 118.68 119.82 1v27 s LEU 131 Ca 0.56 0.45 -0.03 0.00 -1.03 0.00 0.00 54.13 54.09 1v27 s LEU 131 Cb -0.28 -2.30 -0.01 0.00 0.03 0.00 0.00 46.19 43.63 1v27 s LEU 131 CO 0.36 0.35 -0.08 0.00 0.23 0.00 0.00 176.35 177.21 1v27 s GLN 132 N -1.38 3.33 -0.66 1.70 -2.07 -1.19 -4.55 119.66 114.84 1v27 s GLN 132 Ca 0.20 -0.66 -0.05 0.00 -1.82 0.00 0.00 55.36 53.03 1v27 s GLN 132 Cb -0.12 -2.88 0.17 0.00 -1.09 0.00 0.00 33.01 29.09 1v27 s GLN 132 CO 0.10 -0.11 0.51 0.95 -1.32 0.00 0.00 175.29 175.41 1v27 s THR 133 N 1.22 4.13 0.36 3.63 -4.23 -1.26 -3.19 115.64 116.30 1v27 s THR 133 Ca 0.02 -2.82 0.03 0.00 -1.18 0.00 0.00 61.69 57.74 1v27 s THR 133 Cb -0.14 -3.65 -0.04 0.00 1.34 0.00 0.00 72.50 70.00 1v27 s THR 133 CO -0.03 -0.91 0.11 -2.28 -0.54 0.00 0.00 174.62 170.98 1v27 s HIS 134 N 0.02 1.78 0.04 3.99 5.04 -1.26 -4.99 115.29 119.91 1v27 s HIS 134 Ca 0.17 -1.21 -0.30 0.00 -1.54 0.00 0.00 55.06 52.19 1v27 s HIS 134 Cb -0.18 -1.12 -0.17 0.00 0.04 0.00 0.00 32.58 31.14 1v27 s HIS 134 CO -0.04 -0.26 1.40 -0.44 -2.34 0.00 0.00 174.74 173.05 1v27 h ASP 135 N 1.99 -0.69 -6.36 9.88 3.32 -2.07 -3.48 116.42 119.02 1v27 h ASP 135 Ca -0.37 -0.02 -0.10 0.00 0.02 0.00 0.00 57.03 56.56 1v27 h ASP 135 Cb 1.26 0.18 0.00 0.00 0.22 0.00 0.00 39.33 40.99 1v27 h ASP 135 CO 0.60 -0.39 -1.05 -0.24 -1.72 0.00 0.00 179.24 176.44 1v27 n SER 136 N -5.38 -6.37 -4.55 6.45 2.88 -1.26 -4.89 113.62 100.49 1v27 n SER 136 Ca -0.12 0.31 -0.29 0.00 -1.33 0.00 0.00 58.87 57.44 1v27 n SER 136 Cb 0.35 -1.77 0.22 0.00 -0.75 0.00 0.00 64.21 62.26 1v27 n SER 136 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1v27 s GLY 137 N -1.15 1.57 1.11 0.46 0.00 -1.26 -5.02 107.32 103.02 1v27 s GLY 137 Ca 0.10 -0.07 -0.19 0.00 0.00 0.00 0.00 44.72 44.56 1v27 s GLY 137 CO 0.25 0.59 1.23 2.56 0.00 0.00 0.00 173.10 177.73 1v27 s PRO 138 N -4.59 -0.53 -0.30 2.90 0.04 -1.26 -5.10 135.00 126.16 1v27 s PRO 138 Ca 0.67 -0.35 -0.16 0.00 0.04 0.00 0.00 61.00 61.21 1v27 s PRO 138 Cb -0.23 -1.70 0.17 0.00 0.04 0.00 0.00 34.50 32.77 1v27 s PRO 138 CO 0.62 -3.21 1.02 -1.12 0.04 0.00 0.00 177.00 174.36 1v27 s SER 139 N -4.48 -0.51 -0.14 6.66 0.01 -1.26 -5.17 113.70 108.81 1v27 s SER 139 Ca 0.74 0.71 -0.11 0.00 1.31 0.00 0.00 55.95 58.60 1v27 s SER 139 Cb -0.05 1.54 0.04 0.00 0.21 0.00 0.00 66.02 67.76 1v27 s SER 139 CO 0.55 -0.10 0.36 -0.55 0.41 0.00 0.00 173.24 173.91 1v27 s SER 140 N 2.26 -0.40 0.00 2.44 0.15 -1.26 -5.23 113.70 111.67 1v27 s SER 140 Ca -0.03 0.75 0.00 0.00 0.70 0.00 0.00 55.95 57.37 1v27 s SER 140 Cb -0.05 0.72 0.00 0.00 -1.71 0.00 0.00 66.02 64.98 1v27 s SER 140 CO -0.17 -0.14 0.22 0.61 1.20 0.00 0.00 173.24 174.96