#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1v27 n SER 2 N 0.00 -7.42 -4.17 1.61 2.88 -1.26 -5.04 113.62 100.22 1v27 n SER 2 Ca 0.00 0.86 -0.12 0.00 -1.33 0.00 0.00 58.87 58.28 1v27 n SER 2 Cb 0.00 -4.06 -0.09 0.00 -0.75 0.00 0.00 64.21 59.31 1v27 n SER 2 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1v27 s SER 3 N -1.64 0.13 1.37 -3.46 0.01 -1.26 -5.16 113.70 103.69 1v27 s SER 3 Ca 0.09 -1.32 -0.20 0.00 1.31 0.00 0.00 55.95 55.82 1v27 s SER 3 Cb -0.02 0.40 0.34 0.00 0.21 0.00 0.00 66.02 66.96 1v27 s SER 3 CO 0.60 -0.87 0.86 0.61 0.41 0.00 0.00 173.24 174.85 1v27 n GLY 4 N -0.27 -3.31 3.11 3.44 0.00 -1.26 -5.05 105.19 101.84 1v27 n GLY 4 Ca 0.01 -1.49 0.05 0.00 0.00 0.00 0.00 46.02 44.59 1v27 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1v27 s SER 5 N -2.78 -0.31 -0.14 1.61 0.15 -1.26 -5.17 113.70 105.80 1v27 s SER 5 Ca 0.66 0.02 -0.30 0.00 0.70 0.00 0.00 55.95 57.02 1v27 s SER 5 Cb -0.16 1.11 0.13 0.00 -1.71 0.00 0.00 66.02 65.39 1v27 s SER 5 CO 0.58 -0.05 1.01 -0.94 1.20 0.00 0.00 173.24 175.03 1v27 s SER 6 N 2.86 -0.34 -0.00 5.45 1.04 -1.26 -5.02 113.70 116.42 1v27 s SER 6 Ca 0.28 0.31 0.02 0.00 0.48 0.00 0.00 55.95 57.04 1v27 s SER 6 Cb -0.01 0.30 -0.04 0.00 0.10 0.00 0.00 66.02 66.37 1v27 s SER 6 CO -0.22 -0.37 -0.02 -0.83 0.98 0.00 0.00 173.24 172.78 1v27 s GLY 7 N -1.36 1.84 0.00 7.32 0.00 -1.26 -4.77 107.32 109.09 1v27 s GLY 7 Ca 0.00 -0.97 0.00 0.00 0.00 0.00 0.00 44.72 43.75 1v27 s GLY 7 CO -0.01 -0.83 0.00 0.61 0.00 0.00 0.00 173.10 172.87 1v27 n GLY 8 N 1.47 0.68 3.06 0.20 0.00 -1.26 -4.45 105.19 104.88 1v27 n GLY 8 Ca -0.15 -0.18 -0.13 0.00 0.00 0.00 0.00 46.02 45.57 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 3.86 0.20 -0.07 1.61 -0.21 -1.05 -0.89 119.66 123.12 1v27 s GLN 9 Ca 0.00 0.64 0.02 0.00 0.02 0.00 0.00 55.36 56.04 1v27 s GLN 9 Cb 0.00 -0.07 -0.02 0.00 1.00 0.00 0.00 33.01 33.91 1v27 s GLN 9 CO 0.00 -0.21 -0.13 -1.17 -2.12 0.00 0.00 175.29 171.66 1v27 s LEU 10 N 1.70 2.77 -0.40 2.90 0.20 -0.66 -1.38 118.68 123.81 1v27 s LEU 10 Ca -0.06 -0.22 -0.15 0.00 0.69 0.00 0.00 54.13 54.40 1v27 s LEU 10 Cb -0.11 -1.58 0.01 0.00 -0.43 0.00 0.00 46.19 44.08 1v27 s LEU 10 CO -0.09 0.30 0.31 -0.44 -0.29 0.00 0.00 176.35 176.14 1v27 s SER 11 N -0.44 6.11 -0.15 3.68 0.01 -0.69 -0.89 113.70 121.34 1v27 s SER 11 Ca 0.05 -0.80 0.01 0.00 1.31 0.00 0.00 55.95 56.53 1v27 s SER 11 Cb -0.12 -2.16 0.02 0.00 0.21 0.00 0.00 66.02 63.96 1v27 s SER 11 CO 0.02 -0.43 -0.18 -0.63 0.41 0.00 0.00 173.24 172.43 1v27 s ILE 12 N 1.74 1.80 -0.34 1.44 1.01 -1.16 -1.39 121.20 124.30 1v27 s ILE 12 Ca 0.06 -0.80 -0.12 0.00 0.00 0.00 0.00 60.65 59.79 1v27 s ILE 12 Cb -0.19 -1.64 -0.01 0.00 0.01 0.00 0.00 42.46 40.63 1v27 s ILE 12 CO 0.11 0.50 0.23 -0.75 0.00 0.00 0.00 174.94 175.02 1v27 s LYS 13 N 1.21 3.41 0.14 2.79 2.20 0.71 -3.88 119.74 126.33 1v27 s LYS 13 Ca 0.01 -0.70 0.05 0.00 -0.36 0.00 0.00 55.97 54.98 1v27 s LYS 13 Cb -0.14 -3.78 -0.04 0.00 -1.51 0.00 0.00 37.83 32.36 1v27 s LYS 13 CO -0.08 -0.47 0.07 -0.51 -0.36 0.00 0.00 175.35 174.00 1v27 s LEU 14 N 1.70 3.61 -0.25 5.43 1.43 -1.26 0.12 118.68 129.45 1v27 s LEU 14 Ca 0.06 -0.19 -0.17 0.00 -1.03 0.00 0.00 54.13 52.80 1v27 s LEU 14 Cb -0.17 -2.26 0.07 0.00 0.03 0.00 0.00 46.19 43.85 1v27 s LEU 14 CO 0.10 0.11 0.64 0.86 0.23 0.00 0.00 176.35 178.28 1v27 s TRP 15 N -1.62 -0.91 -0.30 0.29 -0.11 0.22 -2.53 118.94 113.98 1v27 s TRP 15 Ca 0.29 1.91 -0.14 0.00 1.22 0.00 0.00 56.10 59.38 1v27 s TRP 15 Cb -0.10 0.48 -0.03 0.00 -1.50 0.00 0.00 33.47 32.31 1v27 s TRP 15 CO 0.21 -0.45 0.30 0.12 -4.62 0.00 0.00 176.95 172.50 1v27 s PHE 16 N 1.28 3.23 -1.14 5.86 5.36 -1.26 0.20 117.98 131.49 1v27 s PHE 16 Ca -0.07 0.14 -0.09 0.00 -0.96 0.00 0.00 56.93 55.95 1v27 s PHE 16 Cb -0.05 -2.53 0.25 0.00 -0.34 0.00 0.00 43.02 40.35 1v27 s PHE 16 CO -0.14 -0.27 1.29 -0.25 -1.46 0.00 0.00 175.22 174.39 1v27 n ASP 17 N 5.24 5.57 0.27 6.13 8.00 0.14 -4.80 116.55 137.10 1v27 n ASP 17 Ca -0.11 -3.09 0.16 0.00 0.71 0.00 0.00 54.79 52.47 1v27 n ASP 17 Cb 0.51 -1.41 0.87 0.00 -0.02 0.00 0.00 41.12 41.06 1v27 n ASP 17 CO 0.00 0.00 0.00 0.07 -0.39 0.00 0.00 177.20 176.88 1v27 h LYS 18 N 6.51 0.00 0.13 -1.24 -0.00 -1.92 0.98 116.57 121.05 1v27 h LYS 18 Ca 0.23 0.00 -0.01 0.00 -0.00 0.00 0.00 60.65 60.87 1v27 h LYS 18 Cb 0.82 0.00 -0.00 0.00 -0.00 0.00 0.00 32.23 33.05 1v27 h LYS 18 CO 1.16 0.00 -0.08 0.28 -0.00 0.00 0.00 179.45 180.80 1v27 h VAL 19 N 0.00 0.00 -0.22 0.07 2.07 -1.93 -3.20 116.25 113.04 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 0.20 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 29.97 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 -1.11 0.97 2.98 2.17 0.00 -0.99 -4.94 105.19 104.27 1v27 n GLY 20 Ca -0.03 -0.60 -0.14 0.00 0.00 0.00 0.00 46.02 45.25 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 0.98 -1.81 -4.93 1.61 -0.00 0.33 -4.79 115.22 106.61 1v27 n HIS 21 Ca 0.17 0.77 -0.28 0.00 -0.00 0.00 0.00 57.72 58.38 1v27 n HIS 21 Cb 0.50 -4.48 -0.15 0.00 -0.00 0.00 0.00 29.99 25.85 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 -5.17 1.71 -0.30 -0.41 -0.21 -0.36 0.20 119.66 115.11 1v27 s GLN 22 Ca 0.03 -0.94 -0.15 0.00 0.02 0.00 0.00 55.36 54.32 1v27 s GLN 22 Cb -0.01 -1.77 -0.03 0.00 1.00 0.00 0.00 33.01 32.20 1v27 s GLN 22 CO 0.59 0.47 0.39 -1.17 -2.12 0.00 0.00 175.29 173.44 1v27 s LEU 23 N -0.94 4.19 -0.12 2.90 2.96 0.33 0.26 118.68 128.27 1v27 s LEU 23 Ca 0.09 0.10 -0.17 0.00 -0.22 0.00 0.00 54.13 53.93 1v27 s LEU 23 Cb -0.09 -2.42 -0.04 0.00 0.50 0.00 0.00 46.19 44.14 1v27 s LEU 23 CO 0.01 -0.26 0.43 -0.63 -1.32 0.00 0.00 176.35 174.58 1v27 s ILE 24 N 2.09 5.20 -0.22 6.68 1.09 0.52 0.07 121.20 136.62 1v27 s ILE 24 Ca 0.14 0.86 -0.04 0.00 -1.10 0.00 0.00 60.65 60.52 1v27 s ILE 24 Cb -0.16 -3.77 0.09 0.00 -1.06 0.00 0.00 42.46 37.57 1v27 s ILE 24 CO 0.11 0.36 0.19 0.54 -0.10 0.00 0.00 174.94 176.04 1v27 s VAL 25 N 0.42 -0.25 -0.21 2.92 0.11 0.49 0.72 120.40 124.60 1v27 s VAL 25 Ca 0.24 -0.29 -0.08 0.00 -2.93 0.00 0.00 61.98 58.92 1v27 s VAL 25 Cb -0.15 -0.75 -0.04 0.00 -1.53 0.00 0.00 36.38 33.91 1v27 s VAL 25 CO 0.09 -0.35 0.07 -0.89 -3.33 0.00 0.00 175.10 170.70 1v27 s THR 26 N 2.26 4.64 -1.00 5.04 2.01 0.32 -1.72 115.64 127.18 1v27 s THR 26 Ca 0.07 -0.08 -0.19 0.00 0.31 0.00 0.00 61.69 61.80 1v27 s THR 26 Cb -0.16 -3.13 0.12 0.00 0.01 0.00 0.00 72.50 69.35 1v27 s THR 26 CO -0.19 0.40 1.25 -0.63 -0.69 0.00 0.00 174.62 174.76 1v27 s ILE 27 N 0.96 4.61 0.00 1.82 -1.09 -1.20 -0.21 121.20 126.09 1v27 s ILE 27 Ca 0.04 -1.60 0.00 0.00 -2.23 0.00 0.00 60.65 56.86 1v27 s ILE 27 Cb -0.14 -4.87 0.00 0.00 -1.58 0.00 0.00 42.46 35.88 1v27 s ILE 27 CO 0.03 -1.62 0.00 0.18 -1.23 0.00 0.00 174.94 172.30 1v27 n LEU 28 N 6.90 0.00 -3.59 2.97 4.77 -0.49 0.40 117.00 127.96 1v27 n LEU 28 Ca 0.28 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 56.16 1v27 n LEU 28 Cb 0.48 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.54 1v27 n LEU 28 CO 0.56 0.00 0.32 -0.83 -1.33 0.00 0.00 177.39 176.11 1v27 s GLY 29 N 0.00 -0.36 0.26 -0.72 0.00 -1.22 0.77 107.32 106.05 1v27 s GLY 29 Ca 0.00 0.11 0.04 0.00 0.00 0.00 0.00 44.72 44.88 1v27 s GLY 29 CO 0.00 -0.08 0.40 0.00 0.00 0.00 0.00 173.10 173.42 1v27 s ALA 30 N -3.81 3.92 0.20 3.20 0.00 0.31 -1.70 121.76 123.88 1v27 s ALA 30 Ca 0.05 -1.20 -0.15 0.00 0.00 0.00 0.00 51.96 50.65 1v27 s ALA 30 Cb -0.01 -1.79 0.02 0.00 0.00 0.00 0.00 23.12 21.34 1v27 s ALA 30 CO -0.08 0.18 0.49 -1.59 0.00 0.00 0.00 175.76 174.75 1v27 s LYS 31 N -4.05 1.39 -1.58 0.00 0.00 -0.48 -3.40 119.74 111.63 1v27 s LYS 31 Ca 0.36 -0.99 -0.10 0.00 0.00 0.00 0.00 55.97 55.24 1v27 s LYS 31 Cb -0.09 0.49 0.09 0.00 0.00 0.00 0.00 37.83 38.32 1v27 s LYS 31 CO 0.30 -0.58 0.59 -0.25 0.00 0.00 0.00 175.35 175.41 1v27 n ASP 32 N -0.33 -1.85 -4.81 0.03 8.00 -1.26 -2.52 116.55 113.80 1v27 n ASP 32 Ca -0.08 -1.03 -0.31 0.00 0.71 0.00 0.00 54.79 54.09 1v27 n ASP 32 Cb 0.62 -2.79 0.07 0.00 -0.02 0.00 0.00 41.12 39.00 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 -7.16 2.99 0.43 0.64 1.02 -1.26 -4.21 118.68 111.12 1v27 s LEU 33 Ca 0.40 1.58 0.28 0.00 0.02 0.00 0.00 54.13 56.41 1v27 s LEU 33 Cb -0.22 -4.37 0.88 0.00 0.02 0.00 0.00 46.19 42.50 1v27 s LEU 33 CO 0.92 -1.67 1.79 1.55 0.02 0.00 0.00 176.35 178.96 1v27 h PRO 34 N -0.87 0.00 -2.27 1.29 0.13 -1.91 -3.49 132.00 124.88 1v27 h PRO 34 Ca -0.45 0.00 0.26 0.00 -0.87 0.00 0.00 66.00 64.95 1v27 h PRO 34 Cb 1.23 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.28 1v27 h PRO 34 CO 0.56 0.00 -0.41 0.45 -0.23 0.00 0.00 178.00 178.37 1v27 n SER 35 N -2.86 -5.83 -2.58 1.44 2.88 -1.26 -4.65 113.62 100.76 1v27 n SER 35 Ca 0.03 0.45 -0.15 0.00 -1.33 0.00 0.00 58.87 57.87 1v27 n SER 35 Cb 0.39 -3.24 0.02 0.00 -0.75 0.00 0.00 64.21 60.63 1v27 n SER 35 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1v27 n ARG 36 N -3.14 2.12 -0.71 -1.46 1.74 -1.26 -5.10 116.66 108.84 1v27 n ARG 36 Ca -0.00 -3.75 -0.23 0.00 -0.77 0.00 0.00 57.85 53.10 1v27 n ARG 36 Cb 0.62 -1.68 0.10 0.00 -1.02 0.00 0.00 32.46 30.48 1v27 n ARG 36 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1v27 n GLU 37 N -0.29 -1.23 -0.64 5.56 -0.58 -1.26 -3.95 120.64 118.25 1v27 n GLU 37 Ca 0.21 -0.36 0.00 0.00 -0.42 0.00 0.00 57.16 56.59 1v27 n GLU 37 Cb 0.77 -1.34 0.00 0.00 -0.57 0.00 0.00 31.44 30.31 1v27 n GLU 37 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 1v27 n ASP 38 N 0.45 -1.90 0.00 1.62 -0.08 -1.26 -4.85 116.55 110.54 1v27 n ASP 38 Ca 0.02 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.30 1v27 n ASP 38 Cb 0.45 -0.32 0.00 0.00 2.34 0.00 0.00 41.12 43.59 1v27 n ASP 38 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1v27 n GLY 39 N -2.63 -0.80 1.24 0.27 0.00 -1.25 -5.15 105.19 96.86 1v27 n GLY 39 Ca 0.00 0.54 0.14 0.00 0.00 0.00 0.00 46.02 46.69 1v27 n GLY 39 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1v27 n ARG 40 N 0.00 -2.53 0.00 1.61 5.12 -1.26 -4.88 116.66 114.72 1v27 n ARG 40 Ca 0.00 2.03 0.00 0.00 -1.93 0.00 0.00 57.85 57.95 1v27 n ARG 40 Cb 0.00 -3.10 0.00 0.00 -1.16 0.00 0.00 32.46 28.20 1v27 n ARG 40 CO 0.00 0.00 0.00 -0.35 -1.93 0.00 0.00 177.63 175.35 1v27 n PRO 41 N -3.98 0.00 -3.49 5.56 -0.04 -1.26 -4.18 135.00 127.60 1v27 n PRO 41 Ca -0.06 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.40 1v27 n PRO 41 Cb 0.56 -0.10 0.00 0.00 -0.04 0.00 0.00 33.50 33.92 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 0.00 -2.59 -3.95 0.54 1.85 -1.26 -4.02 116.66 107.23 1v27 n ARG 42 Ca 0.00 0.00 -0.30 0.00 -1.00 0.00 0.00 57.85 56.55 1v27 n ARG 42 Cb 0.00 0.00 -0.14 0.00 -1.05 0.00 0.00 32.46 31.27 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 -2.07 4.40 0.85 2.89 0.01 -1.26 0.15 114.94 119.92 1v27 s ASN 43 Ca 0.00 -2.65 -0.12 0.00 -0.71 0.00 0.00 52.86 49.38 1v27 s ASN 43 Cb 0.00 -1.56 0.10 0.00 0.41 0.00 0.00 41.25 40.20 1v27 s ASN 43 CO 0.00 -0.29 1.12 -2.16 -1.51 0.00 0.00 177.10 174.26 1v27 s PRO 44 N 0.22 1.62 -0.30 -0.60 0.04 -1.08 -0.88 135.00 134.02 1v27 s PRO 44 Ca 0.15 0.46 -0.18 0.00 0.04 0.00 0.00 61.00 61.47 1v27 s PRO 44 Cb -0.23 -1.88 0.20 0.00 0.04 0.00 0.00 34.50 32.62 1v27 s PRO 44 CO -0.04 -1.90 1.27 1.52 0.04 0.00 0.00 177.00 177.89 1v27 s TYR 45 N -3.22 -0.11 0.75 0.56 -0.85 -0.73 -2.58 117.35 111.16 1v27 s TYR 45 Ca 0.62 0.20 -0.11 0.00 -0.52 0.00 0.00 57.07 57.26 1v27 s TYR 45 Cb -0.15 0.07 0.04 0.00 0.38 0.00 0.00 41.96 42.30 1v27 s TYR 45 CO 0.54 -0.06 1.08 0.08 -1.52 0.00 0.00 175.55 175.67 1v27 s VAL 46 N 1.87 3.60 -0.22 -3.49 1.01 -1.26 -2.87 120.40 119.03 1v27 s VAL 46 Ca -0.01 0.52 -0.04 0.00 0.00 0.00 0.00 61.98 62.45 1v27 s VAL 46 Cb -0.01 -3.19 0.12 0.00 0.00 0.00 0.00 36.38 33.29 1v27 s VAL 46 CO -0.15 -0.68 0.35 -0.75 0.00 0.00 0.00 175.10 173.87 1v27 s LYS 47 N -5.03 0.30 0.28 2.72 2.20 -0.03 -3.00 119.74 117.19 1v27 s LYS 47 Ca 0.60 0.57 -0.07 0.00 -0.36 0.00 0.00 55.97 56.71 1v27 s LYS 47 Cb -0.15 -0.44 -0.06 0.00 -1.51 0.00 0.00 37.83 35.67 1v27 s LYS 47 CO 0.55 -0.56 0.57 0.42 -0.36 0.00 0.00 175.35 175.97 1v27 s ILE 48 N 2.51 4.98 -0.31 5.43 1.01 -0.62 -1.70 121.20 132.50 1v27 s ILE 48 Ca 0.09 0.22 0.04 0.00 0.00 0.00 0.00 60.65 61.00 1v27 s ILE 48 Cb -0.15 -3.70 0.17 0.00 0.01 0.00 0.00 42.46 38.80 1v27 s ILE 48 CO -0.14 -0.26 0.48 -0.31 0.00 0.00 0.00 174.94 174.71 1v27 s TYR 49 N -2.03 -1.26 -0.42 3.97 2.02 -0.85 -3.24 117.35 115.53 1v27 s TYR 49 Ca 0.45 0.40 -0.27 0.00 -0.37 0.00 0.00 57.07 57.28 1v27 s TYR 49 Cb -0.11 0.01 -0.04 0.00 -0.40 0.00 0.00 41.96 41.42 1v27 s TYR 49 CO 0.28 -1.04 2.02 0.12 -1.57 0.00 0.00 175.55 175.36 1v27 s PHE 50 N 2.42 1.50 0.49 2.71 5.36 -1.23 -2.21 117.98 127.00 1v27 s PHE 50 Ca 0.11 0.87 -0.19 0.00 -0.96 0.00 0.00 56.93 56.76 1v27 s PHE 50 Cb -0.11 -3.96 -0.09 0.00 -0.34 0.00 0.00 43.02 38.52 1v27 s PHE 50 CO -0.23 -2.87 0.99 -0.51 -1.46 0.00 0.00 175.22 171.14 1v27 s LEU 51 N 8.92 3.77 0.00 6.12 1.43 0.38 -4.36 118.68 134.94 1v27 s LEU 51 Ca 0.84 1.72 -0.02 0.00 -1.03 0.00 0.00 54.13 55.64 1v27 s LEU 51 Cb -0.20 -4.53 0.03 0.00 0.03 0.00 0.00 46.19 41.51 1v27 s LEU 51 CO 0.29 -0.62 0.14 -0.81 0.23 0.00 0.00 176.35 175.58 1v27 n PRO 52 N -1.15 -0.70 -1.91 1.29 -0.04 -1.26 -3.05 135.00 128.17 1v27 n PRO 52 Ca 0.08 -0.22 -0.01 0.00 -0.04 0.00 0.00 63.50 63.30 1v27 n PRO 52 Cb 0.54 -0.18 -0.01 0.00 -0.04 0.00 0.00 33.50 33.81 1v27 n PRO 52 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1v27 n ASP 53 N -3.16 -2.43 -2.31 3.54 2.03 -1.26 -4.94 116.55 108.02 1v27 n ASP 53 Ca 0.02 0.50 -0.32 0.00 0.52 0.00 0.00 54.79 55.51 1v27 n ASP 53 Cb 0.07 -2.56 0.06 0.00 -0.72 0.00 0.00 41.12 37.97 1v27 n ASP 53 CO 0.00 0.00 0.00 -1.14 -1.92 0.00 0.00 177.20 174.14 1v27 n ARG 54 N 0.48 2.98 -3.35 -0.67 0.63 -1.26 -4.55 116.66 110.92 1v27 n ARG 54 Ca -0.10 -3.60 -0.00 0.00 -0.92 0.00 0.00 57.85 53.23 1v27 n ARG 54 Cb 0.15 -2.28 -0.04 0.00 0.45 0.00 0.00 32.46 30.74 1v27 n ARG 54 CO 0.00 0.00 0.00 -1.54 -2.51 0.00 0.00 177.63 173.58 1v27 s SER 55 N -2.30 -0.98 0.40 6.15 1.04 -1.26 -5.04 113.70 111.70 1v27 s SER 55 Ca 0.59 0.96 0.00 0.00 0.48 0.00 0.00 55.95 57.98 1v27 s SER 55 Cb 0.47 1.97 0.00 0.00 0.10 0.00 0.00 66.02 68.56 1v27 s SER 55 CO -0.05 -0.25 0.00 0.47 0.98 0.00 0.00 173.24 174.39 1v27 n ASP 56 N 5.42 -8.48 0.00 7.02 9.92 -1.26 -4.77 116.55 124.40 1v27 n ASP 56 Ca -0.05 0.77 0.00 0.00 -0.53 0.00 0.00 54.79 54.98 1v27 n ASP 56 Cb 0.50 -4.43 0.00 0.00 -0.64 0.00 0.00 41.12 36.55 1v27 n ASP 56 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 1v27 n LYS 57 N -4.23 0.00 -0.86 -1.24 5.02 -1.26 -3.28 118.16 112.30 1v27 n LYS 57 Ca -0.01 0.00 0.03 0.00 -2.02 0.00 0.00 58.31 56.30 1v27 n LYS 57 Cb 0.65 0.00 0.34 0.00 -0.02 0.00 0.00 35.03 36.01 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 4.26 5.04 -4.49 4.39 0.23 -1.26 -4.88 115.26 118.54 1v27 n ASN 58 Ca 0.00 -3.08 -0.42 0.00 -0.53 0.00 0.00 54.58 50.55 1v27 n ASN 58 Cb 0.00 -0.68 -0.04 0.00 -2.08 0.00 0.00 39.78 36.98 1v27 n ASN 58 CO 0.00 0.00 0.00 -0.75 -0.93 0.00 0.00 177.26 175.58 1v27 s LYS 59 N -2.88 3.19 -0.05 -3.83 2.20 -1.21 -3.57 119.74 113.59 1v27 s LYS 59 Ca 0.53 -0.54 -0.02 0.00 -0.36 0.00 0.00 55.97 55.58 1v27 s LYS 59 Cb 0.41 -4.17 0.04 0.00 -1.51 0.00 0.00 37.83 32.60 1v27 s LYS 59 CO 0.13 -1.82 0.10 1.03 -0.36 0.00 0.00 175.35 174.43 1v27 s ARG 60 N 4.46 0.00 0.23 4.03 1.81 -1.20 -4.87 118.95 123.41 1v27 s ARG 60 Ca 0.28 0.36 0.09 0.00 -1.72 0.00 0.00 55.73 54.73 1v27 s ARG 60 Cb -0.14 -0.29 -0.05 0.00 -0.45 0.00 0.00 34.95 34.03 1v27 s ARG 60 CO 0.14 -0.23 -0.17 -0.98 -0.68 0.00 0.00 175.30 173.38 1v27 s ARG 61 N 1.57 1.45 0.84 3.54 3.03 -1.26 -1.58 118.95 126.54 1v27 s ARG 61 Ca -0.04 -1.63 -0.12 0.00 2.03 0.00 0.00 55.73 55.97 1v27 s ARG 61 Cb -0.12 -1.38 0.12 0.00 -1.03 0.00 0.00 34.95 32.54 1v27 s ARG 61 CO -0.04 0.25 1.20 0.95 -1.13 0.00 0.00 175.30 176.52 1v27 s THR 62 N -2.71 2.04 0.78 4.99 -4.23 -1.16 -5.01 115.64 110.34 1v27 s THR 62 Ca 0.24 -0.06 -0.14 0.00 -1.18 0.00 0.00 61.69 60.55 1v27 s THR 62 Cb -0.03 -2.98 0.05 0.00 1.34 0.00 0.00 72.50 70.88 1v27 s THR 62 CO 0.10 0.00 1.09 2.29 -0.54 0.00 0.00 174.62 177.55 1v27 n LYS 63 N -3.40 0.31 -3.19 3.99 2.85 -1.26 -4.75 118.16 112.71 1v27 n LYS 63 Ca 0.11 0.17 -0.42 0.00 -1.05 0.00 0.00 58.31 57.12 1v27 n LYS 63 Cb 0.60 -2.34 -0.07 0.00 -0.65 0.00 0.00 35.03 32.57 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 -2.00 4.96 0.00 0.58 2.01 -1.26 -4.74 115.64 115.18 1v27 s THR 64 Ca 0.73 0.39 -0.18 0.00 0.31 0.00 0.00 61.69 62.94 1v27 s THR 64 Cb -0.31 -4.03 -0.06 0.00 0.01 0.00 0.00 72.50 68.12 1v27 s THR 64 CO 0.51 -0.29 0.50 -0.69 -0.69 0.00 0.00 174.62 173.97 1v27 s VAL 65 N 2.53 4.94 -0.16 3.82 1.01 -1.07 -5.02 120.40 126.46 1v27 s VAL 65 Ca 0.21 1.05 -0.08 0.00 0.00 0.00 0.00 61.98 63.16 1v27 s VAL 65 Cb -0.15 -3.83 -0.04 0.00 0.00 0.00 0.00 36.38 32.36 1v27 s VAL 65 CO 0.14 0.50 0.11 -0.54 0.00 0.00 0.00 175.10 175.31 1v27 s LYS 66 N -0.62 3.79 -0.03 2.72 -0.14 -1.26 -2.64 119.74 121.56 1v27 s LYS 66 Ca 0.27 -0.23 -0.00 0.00 -1.36 0.00 0.00 55.97 54.65 1v27 s LYS 66 Cb -0.18 -3.24 0.00 0.00 -1.68 0.00 0.00 37.83 32.73 1v27 s LYS 66 CO 0.15 0.49 0.00 1.63 -0.76 0.00 0.00 175.35 176.87 1v27 n LYS 67 N 2.88 -0.76 -3.17 1.68 5.02 0.40 -4.92 118.16 119.29 1v27 n LYS 67 Ca -0.18 1.04 0.05 0.00 -2.02 0.00 0.00 58.31 57.21 1v27 n LYS 67 Cb 0.53 -1.33 -0.03 0.00 -0.02 0.00 0.00 35.03 34.18 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 -0.85 -0.11 -0.52 -0.18 -1.32 -1.13 -4.93 115.64 106.59 1v27 s THR 68 Ca -0.01 0.00 0.25 0.00 -1.21 0.00 0.00 61.69 60.72 1v27 s THR 68 Cb 0.00 -1.00 0.32 0.00 -1.51 0.00 0.00 72.50 70.31 1v27 s THR 68 CO 0.07 0.00 1.70 -0.07 -2.21 0.00 0.00 174.62 174.11 1v27 h LEU 69 N 7.67 0.00 -6.87 9.08 4.07 -1.95 -3.37 115.31 123.94 1v27 h LEU 69 Ca -0.12 0.00 -0.61 0.00 0.08 0.00 0.00 57.88 57.23 1v27 h LEU 69 Cb 1.16 0.00 -0.41 0.00 1.08 0.00 0.00 40.66 42.49 1v27 h LEU 69 CO -0.11 0.00 -0.69 -1.61 -1.08 0.00 0.00 178.44 174.95 1v27 s GLU 70 N -3.20 2.00 0.34 1.13 2.02 -1.26 -4.12 118.70 115.61 1v27 s GLU 70 Ca 0.08 -2.98 -0.27 0.00 0.02 0.00 0.00 54.97 51.83 1v27 s GLU 70 Cb 0.08 -2.83 -0.09 0.00 0.10 0.00 0.00 34.13 31.39 1v27 s GLU 70 CO 0.62 -1.31 1.07 -1.25 0.02 0.00 0.00 175.26 174.41 1v27 s PRO 71 N -1.00 4.41 -0.37 0.39 0.04 -1.22 -4.78 135.00 132.47 1v27 s PRO 71 Ca 0.27 1.65 0.01 0.00 0.04 0.00 0.00 61.00 62.97 1v27 s PRO 71 Cb -0.02 -2.87 0.11 0.00 0.04 0.00 0.00 34.50 31.76 1v27 s PRO 71 CO -0.17 0.05 0.15 0.15 0.04 0.00 0.00 177.00 177.21 1v27 s LYS 72 N -1.95 1.12 -0.11 4.56 1.02 -1.26 -0.53 119.74 122.58 1v27 s LYS 72 Ca 0.51 -1.62 -0.10 0.00 0.02 0.00 0.00 55.97 54.78 1v27 s LYS 72 Cb -0.27 -2.40 -0.26 0.00 -0.52 0.00 0.00 37.83 34.37 1v27 s LYS 72 CO 0.34 -1.04 0.42 -1.49 -0.92 0.00 0.00 175.35 172.66 1v27 h TRP 73 N 7.45 0.47 -6.09 3.18 6.55 0.29 -3.47 115.95 124.33 1v27 h TRP 73 Ca -0.07 -0.35 -0.32 0.00 0.95 0.00 0.00 58.89 59.10 1v27 h TRP 73 Cb 0.98 -0.02 -0.19 0.00 -0.86 0.00 0.00 29.16 29.07 1v27 h TRP 73 CO 0.43 1.72 -0.47 0.09 -1.05 0.00 0.00 178.44 179.16 1v27 n ASN 74 N -3.64 -1.52 -3.05 -3.49 4.13 0.17 -4.87 115.26 103.00 1v27 n ASN 74 Ca -0.30 -0.39 -0.14 0.00 1.68 0.00 0.00 54.58 55.43 1v27 n ASN 74 Cb 1.00 -1.38 0.09 0.00 -1.54 0.00 0.00 39.78 37.96 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 -3.31 -0.42 -4.22 3.52 6.02 -1.19 -4.86 117.38 112.91 1v27 n GLN 75 Ca 0.06 -1.13 -0.17 0.00 -0.01 0.00 0.00 57.00 55.75 1v27 n GLN 75 Cb 0.48 -0.60 -0.13 0.00 1.02 0.00 0.00 30.24 31.01 1v27 n GLN 75 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 1v27 s THR 76 N -2.21 0.86 -0.21 5.09 2.01 -1.26 -3.22 115.64 116.70 1v27 s THR 76 Ca 0.37 -0.95 -0.04 0.00 0.31 0.00 0.00 61.69 61.38 1v27 s THR 76 Cb -0.01 -0.82 0.11 0.00 0.01 0.00 0.00 72.50 71.79 1v27 s THR 76 CO 0.26 -0.12 0.34 -0.36 -0.69 0.00 0.00 174.62 174.05 1v27 s PHE 77 N -0.95 -0.66 -0.01 4.92 0.08 -0.70 -4.96 117.98 115.70 1v27 s PHE 77 Ca -0.02 0.85 -0.06 0.00 0.12 0.00 0.00 56.93 57.82 1v27 s PHE 77 Cb -0.08 -0.01 -0.05 0.00 -0.57 0.00 0.00 43.02 42.31 1v27 s PHE 77 CO 0.01 -0.61 0.24 0.42 -0.10 0.00 0.00 175.22 175.18 1v27 s ILE 78 N 2.50 5.35 -0.16 0.64 1.01 -1.26 -0.38 121.20 128.90 1v27 s ILE 78 Ca 0.08 0.12 -0.03 0.00 0.00 0.00 0.00 60.65 60.82 1v27 s ILE 78 Cb -0.14 -3.54 0.05 0.00 0.01 0.00 0.00 42.46 38.83 1v27 s ILE 78 CO -0.14 0.39 0.03 -0.31 0.00 0.00 0.00 174.94 174.92 1v27 s TYR 79 N -1.27 0.82 0.09 3.97 2.02 0.11 -4.89 117.35 118.20 1v27 s TYR 79 Ca 0.26 -0.60 -0.08 0.00 -0.37 0.00 0.00 57.07 56.28 1v27 s TYR 79 Cb -0.13 -0.92 -0.01 0.00 -0.40 0.00 0.00 41.96 40.50 1v27 s TYR 79 CO 0.15 -0.52 0.17 -1.54 -1.57 0.00 0.00 175.55 172.24 1v27 s SER 80 N 1.93 0.15 0.35 2.29 1.04 -1.26 0.12 113.70 118.31 1v27 s SER 80 Ca 0.01 -0.69 -0.26 0.00 0.48 0.00 0.00 55.95 55.48 1v27 s SER 80 Cb -0.16 0.33 -0.09 0.00 0.10 0.00 0.00 66.02 66.20 1v27 s SER 80 CO -0.07 -0.72 1.07 -2.16 0.98 0.00 0.00 173.24 172.33 1v27 s PRO 81 N -3.87 4.38 -0.23 4.02 0.04 -1.26 -5.06 135.00 133.01 1v27 s PRO 81 Ca 0.06 1.63 -0.03 0.00 0.04 0.00 0.00 61.00 62.70 1v27 s PRO 81 Cb 0.05 -2.83 0.08 0.00 0.04 0.00 0.00 34.50 31.84 1v27 s PRO 81 CO -0.10 0.02 0.08 0.08 0.04 0.00 0.00 177.00 177.11 1v27 s VAL 82 N -1.44 0.33 0.46 -0.36 1.01 0.52 -4.99 120.40 115.94 1v27 s VAL 82 Ca 0.52 -0.67 0.01 0.00 0.00 0.00 0.00 61.98 61.85 1v27 s VAL 82 Cb -0.26 -1.04 0.00 0.00 0.00 0.00 0.00 36.38 35.09 1v27 s VAL 82 CO 0.33 -0.42 0.67 -1.00 0.00 0.00 0.00 175.10 174.69 1v27 s HIS 83 N 1.93 3.13 -0.40 5.22 3.76 -1.26 -4.06 115.29 123.61 1v27 s HIS 83 Ca 0.04 0.13 0.26 0.00 -0.15 0.00 0.00 55.06 55.34 1v27 s HIS 83 Cb -0.17 -2.37 0.95 0.00 1.11 0.00 0.00 32.58 32.10 1v27 s HIS 83 CO -0.17 -0.43 1.78 -0.09 -0.85 0.00 0.00 174.74 174.98 1v27 h ARG 84 N 0.38 0.00 0.00 1.40 9.65 -2.00 -2.46 114.38 121.36 1v27 h ARG 84 Ca -0.45 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.43 1v27 h ARG 84 Cb 1.26 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.84 1v27 h ARG 84 CO 0.56 0.00 -0.89 2.89 2.80 0.00 0.00 179.97 185.32 1v27 n ARG 85 N -2.55 0.15 0.05 0.20 -4.01 -1.26 -3.82 116.66 105.41 1v27 n ARG 85 Ca 0.03 -0.00 0.12 0.00 -1.04 0.00 0.00 57.85 56.96 1v27 n ARG 85 Cb 0.34 -1.55 0.27 0.00 -3.04 0.00 0.00 32.46 28.48 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 -1.74 0.20 -0.03 2.89 -0.58 -0.93 -3.97 120.64 116.48 1v27 n GLU 86 Ca 0.03 0.08 -0.09 0.00 -0.42 0.00 0.00 57.16 56.77 1v27 n GLU 86 Cb 0.39 -1.65 -0.03 0.00 -0.57 0.00 0.00 31.44 29.57 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 0.05 0.00 -0.32 -1.00 -1.65 1.21 116.94 115.22 1v27 h PHE 87 Ca 0.00 0.01 0.00 0.00 2.81 0.00 0.00 57.97 60.79 1v27 h PHE 87 Cb 0.67 0.01 0.00 0.00 3.61 0.00 0.00 35.95 40.24 1v27 h PHE 87 CO 0.00 0.01 0.00 2.89 -1.61 0.00 0.00 178.31 179.60 1v27 n ARG 88 N -5.09 0.41 -0.01 1.51 1.85 -1.25 -2.24 116.66 111.83 1v27 n ARG 88 Ca -0.03 0.06 0.07 0.00 -1.00 0.00 0.00 57.85 56.95 1v27 n ARG 88 Cb 0.09 -1.50 -0.11 0.00 -1.05 0.00 0.00 32.46 29.89 1v27 n ARG 88 CO 0.00 0.00 0.00 0.39 -0.01 0.00 0.00 177.63 178.01 1v27 n GLU 89 N -1.22 0.83 -3.77 2.89 1.02 0.09 -4.95 120.64 115.53 1v27 n GLU 89 Ca 0.12 -0.11 -0.14 0.00 -0.02 0.00 0.00 57.16 57.02 1v27 n GLU 89 Cb 0.16 -1.31 -0.15 0.00 -0.02 0.00 0.00 31.44 30.12 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 -2.88 0.04 0.21 3.49 3.00 0.39 -4.75 118.95 118.46 1v27 s ARG 90 Ca -0.03 0.28 0.11 0.00 0.00 0.00 0.00 55.73 56.09 1v27 s ARG 90 Cb 0.10 -0.18 -0.05 0.00 0.00 0.00 0.00 34.95 34.82 1v27 s ARG 90 CO 0.61 -0.15 -0.21 1.41 0.00 0.00 0.00 175.30 176.95 1v27 s MET 91 N 1.03 1.63 0.16 3.54 -2.45 -1.17 -4.06 119.30 117.98 1v27 s MET 91 Ca -0.08 -1.54 -0.09 0.00 -1.25 0.00 0.00 55.69 52.73 1v27 s MET 91 Cb -0.11 -1.87 -0.06 0.00 1.25 0.00 0.00 34.83 34.03 1v27 s MET 91 CO -0.04 0.39 0.46 -0.51 1.05 0.00 0.00 175.02 176.37 1v27 s LEU 92 N -2.88 4.25 -0.38 4.11 1.43 -0.81 -0.47 118.68 123.94 1v27 s LEU 92 Ca 0.23 0.80 0.01 0.00 -1.03 0.00 0.00 54.13 54.14 1v27 s LEU 92 Cb -0.07 -3.39 0.13 0.00 0.03 0.00 0.00 46.19 42.89 1v27 s LEU 92 CO 0.12 0.03 0.20 -0.70 0.23 0.00 0.00 176.35 176.23 1v27 s GLU 93 N -2.50 0.88 -0.04 1.70 2.12 -0.94 -2.84 118.70 117.07 1v27 s GLU 93 Ca 0.42 -1.54 -0.12 0.00 0.36 0.00 0.00 54.97 54.09 1v27 s GLU 93 Cb -0.12 -1.86 -0.05 0.00 0.26 0.00 0.00 34.13 32.36 1v27 s GLU 93 CO 0.21 -1.14 0.31 0.42 -0.54 0.00 0.00 175.26 174.52 1v27 s ILE 94 N 0.90 5.21 0.01 -3.70 1.09 -0.54 -2.02 121.20 122.16 1v27 s ILE 94 Ca 0.16 0.58 -0.06 0.00 -1.10 0.00 0.00 60.65 60.23 1v27 s ILE 94 Cb -0.22 -3.59 -0.00 0.00 -1.06 0.00 0.00 42.46 37.58 1v27 s ILE 94 CO -0.05 0.58 0.10 0.42 -0.10 0.00 0.00 174.94 175.89 1v27 s THR 95 N -1.08 0.09 -0.11 2.92 -4.23 -0.69 0.11 115.64 112.65 1v27 s THR 95 Ca 0.21 -0.76 0.01 0.00 -1.18 0.00 0.00 61.69 59.96 1v27 s THR 95 Cb -0.15 -0.43 -0.01 0.00 1.34 0.00 0.00 72.50 73.25 1v27 s THR 95 CO 0.10 -0.42 -0.15 -0.22 -0.54 0.00 0.00 174.62 173.39 1v27 s LEU 96 N -1.46 2.63 0.25 4.79 2.96 0.24 -0.85 118.68 127.25 1v27 s LEU 96 Ca -0.14 -0.34 0.01 0.00 -0.22 0.00 0.00 54.13 53.44 1v27 s LEU 96 Cb -0.08 -1.57 -0.05 0.00 0.50 0.00 0.00 46.19 44.99 1v27 s LEU 96 CO 0.01 0.19 0.12 0.26 -1.32 0.00 0.00 176.35 175.61 1v27 s TRP 97 N 0.18 1.46 -0.17 5.38 0.52 -1.14 0.03 118.94 125.20 1v27 s TRP 97 Ca -0.08 -1.26 -0.00 0.00 0.02 0.00 0.00 56.10 54.77 1v27 s TRP 97 Cb -0.15 -0.81 0.04 0.00 -1.15 0.00 0.00 33.47 31.40 1v27 s TRP 97 CO 0.05 -0.44 -0.06 0.34 0.02 0.00 0.00 176.95 176.85 1v27 s ASP 98 N -3.29 2.98 -0.56 2.95 2.15 -1.26 -1.77 116.67 117.87 1v27 s ASP 98 Ca 0.38 -0.72 -0.29 0.00 0.43 0.00 0.00 52.55 52.35 1v27 s ASP 98 Cb 0.07 -0.99 -0.11 0.00 -0.30 0.00 0.00 42.92 41.59 1v27 s ASP 98 CO 0.14 -0.18 2.43 1.67 -0.17 0.00 0.00 175.17 179.07 1v27 n GLN 99 N 4.83 0.90 0.00 4.34 0.00 -0.06 -4.40 117.38 123.00 1v27 n GLN 99 Ca -0.13 0.08 0.00 0.00 -0.00 0.00 0.00 57.00 56.96 1v27 n GLN 99 Cb 0.47 -2.89 0.00 0.00 0.00 0.00 0.00 30.24 27.83 1v27 n GLN 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1v27 n ALA 100 N 13.61 0.00 -1.18 1.69 0.00 -1.26 -4.47 120.51 128.90 1v27 n ALA 100 Ca 0.43 -0.20 -0.29 0.00 0.00 0.00 0.00 53.44 53.38 1v27 n ALA 100 Cb 0.39 0.00 0.17 0.00 0.00 0.00 0.00 19.45 20.00 1v27 n ALA 100 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1v27 s ARG 101 N -0.84 0.62 -0.21 0.00 1.81 -1.26 -5.00 118.95 114.07 1v27 s ARG 101 Ca 0.00 0.58 -0.09 0.00 -1.72 0.00 0.00 55.73 54.50 1v27 s ARG 101 Cb 0.00 -1.75 -0.19 0.00 -0.45 0.00 0.00 34.95 32.55 1v27 s ARG 101 CO 0.00 -2.62 0.04 1.33 -0.68 0.00 0.00 175.30 173.37 1v27 n VAL 102 N -4.11 1.60 0.03 3.52 0.24 -1.26 -4.86 118.33 113.50 1v27 n VAL 102 Ca 0.06 -0.44 0.00 0.00 -2.04 0.00 0.00 64.34 61.92 1v27 n VAL 102 Cb 0.57 -1.75 0.00 0.00 -1.47 0.00 0.00 33.84 31.18 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 -3.79 0.00 -0.95 7.34 1.74 -1.26 -5.08 116.66 114.66 1v27 n ARG 103 Ca -0.40 0.00 -0.36 0.00 -0.77 0.00 0.00 57.85 56.32 1v27 n ARG 103 Cb 0.92 -0.40 0.06 0.00 -1.02 0.00 0.00 32.46 32.02 1v27 n ARG 103 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1v27 n GLU 104 N -3.14 -0.12 -3.42 5.56 4.71 -1.26 -4.88 120.64 118.08 1v27 n GLU 104 Ca 0.00 -0.03 -0.44 0.00 -0.01 0.00 0.00 57.16 56.69 1v27 n GLU 104 Cb 0.24 -1.20 -0.06 0.00 -1.01 0.00 0.00 31.44 29.41 1v27 n GLU 104 CO 0.00 0.00 0.00 -2.00 0.09 0.00 0.00 177.13 175.22 1v27 s GLU 105 N -2.39 2.87 -0.42 3.49 2.12 -1.26 -4.74 118.70 118.38 1v27 s GLU 105 Ca 0.44 -1.89 0.04 0.00 0.36 0.00 0.00 54.97 53.92 1v27 s GLU 105 Cb -0.15 -4.15 0.17 0.00 0.26 0.00 0.00 34.13 30.25 1v27 s GLU 105 CO 0.77 -1.27 0.46 -1.21 -0.54 0.00 0.00 175.26 173.47 1v27 s GLU 106 N 1.21 0.81 -0.32 4.30 2.02 -1.26 -5.11 118.70 120.34 1v27 s GLU 106 Ca 0.07 -1.17 -0.15 0.00 0.02 0.00 0.00 54.97 53.73 1v27 s GLU 106 Cb -0.25 -0.70 -0.02 0.00 0.10 0.00 0.00 34.13 33.26 1v27 s GLU 106 CO -0.00 -1.27 0.37 -1.12 0.02 0.00 0.00 175.26 173.25 1v27 s SER 107 N 1.00 6.20 0.65 -0.19 0.01 -1.26 -4.34 113.70 115.77 1v27 s SER 107 Ca 0.23 -0.08 0.40 0.00 1.31 0.00 0.00 55.95 57.82 1v27 s SER 107 Cb -0.07 -2.20 2.26 0.00 0.21 0.00 0.00 66.02 66.21 1v27 s SER 107 CO -0.07 -0.30 2.34 1.05 0.41 0.00 0.00 173.24 176.67 1v27 h GLU 108 N 8.39 0.00 -4.87 12.44 4.11 -1.96 -3.48 114.58 129.22 1v27 h GLU 108 Ca -0.30 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.13 1v27 h GLU 108 Cb 1.15 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.36 1v27 h GLU 108 CO 0.68 0.00 -0.81 0.34 0.07 0.00 0.00 179.01 179.29 1v27 n PHE 109 N -3.32 -3.06 0.01 2.06 7.35 -1.26 -4.91 117.46 114.33 1v27 n PHE 109 Ca -0.03 1.80 -0.18 0.00 -0.76 0.00 0.00 57.45 58.29 1v27 n PHE 109 Cb 0.07 -2.87 -0.11 0.00 0.35 0.00 0.00 39.48 36.93 1v27 n PHE 109 CO 0.00 0.00 0.00 -0.07 -0.76 0.00 0.00 176.76 175.93 1v27 h LEU 110 N 4.32 0.55 0.00 -2.13 3.38 -0.72 -3.48 115.31 117.23 1v27 h LEU 110 Ca -0.16 -0.76 0.00 0.00 0.09 0.00 0.00 57.88 57.05 1v27 h LEU 110 Cb 0.35 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.93 1v27 h LEU 110 CO 0.00 1.25 0.00 0.61 0.09 0.00 0.00 178.44 180.39 1v27 n GLY 111 N 1.08 -0.66 3.00 0.83 0.00 -1.09 -4.70 105.19 103.64 1v27 n GLY 111 Ca -0.10 -0.96 -0.20 0.00 0.00 0.00 0.00 46.02 44.76 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 0.93 -0.31 1.61 -1.05 -1.21 -0.60 118.70 116.08 1v27 s GLU 112 Ca 0.00 -0.30 0.03 0.00 -0.15 0.00 0.00 54.97 54.56 1v27 s GLU 112 Cb 0.00 -0.87 0.09 0.00 -0.44 0.00 0.00 34.13 32.91 1v27 s GLU 112 CO 0.00 0.11 0.00 0.42 0.95 0.00 0.00 175.26 176.74 1v27 s ILE 113 N 0.18 2.14 -0.10 1.83 1.01 0.30 -3.40 121.20 123.15 1v27 s ILE 113 Ca -0.03 -2.04 -0.12 0.00 0.00 0.00 0.00 60.65 58.47 1v27 s ILE 113 Cb -0.08 -2.47 -0.05 0.00 0.01 0.00 0.00 42.46 39.87 1v27 s ILE 113 CO 0.00 -0.41 0.26 -0.76 0.00 0.00 0.00 174.94 174.04 1v27 s LEU 114 N 1.02 4.36 -0.06 2.97 2.01 -1.26 -1.47 118.68 126.25 1v27 s LEU 114 Ca 0.04 0.61 -0.01 0.00 0.01 0.00 0.00 54.13 54.77 1v27 s LEU 114 Cb -0.19 -2.32 0.03 0.00 0.01 0.00 0.00 46.19 43.72 1v27 s LEU 114 CO -0.08 0.27 0.02 -0.63 1.01 0.00 0.00 176.35 176.94 1v27 s ILE 115 N -0.47 0.20 -0.43 -0.59 1.01 -1.13 -5.01 121.20 114.78 1v27 s ILE 115 Ca 0.17 0.23 -0.28 0.00 0.00 0.00 0.00 60.65 60.77 1v27 s ILE 115 Cb -0.14 -0.39 0.02 0.00 0.01 0.00 0.00 42.46 41.97 1v27 s ILE 115 CO 0.06 0.23 1.06 -1.61 0.00 0.00 0.00 174.94 174.68 1v27 s GLU 116 N 1.99 3.78 0.53 2.79 2.02 -1.26 -1.93 118.70 126.62 1v27 s GLU 116 Ca 0.04 0.61 0.39 0.00 0.02 0.00 0.00 54.97 56.04 1v27 s GLU 116 Cb -0.12 -3.86 1.57 0.00 0.10 0.00 0.00 34.13 31.82 1v27 s GLU 116 CO -0.04 -1.20 1.71 -0.07 0.02 0.00 0.00 175.26 175.68 1v27 h LEU 117 N 10.73 0.06 0.21 1.80 3.38 -1.71 0.68 115.31 130.45 1v27 h LEU 117 Ca -0.23 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.77 1v27 h LEU 117 Cb 1.06 0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.81 1v27 h LEU 117 CO 1.07 -0.01 -0.20 -0.08 0.09 0.00 0.00 178.44 179.31 1v27 h GLU 118 N 0.04 -0.42 -0.70 1.13 4.81 -1.82 -2.62 114.58 115.01 1v27 h GLU 118 Ca 0.72 0.03 -0.29 0.00 -0.13 0.00 0.00 59.36 59.69 1v27 h GLU 118 Cb 2.75 0.09 -0.17 0.00 0.63 0.00 0.00 28.75 32.05 1v27 h GLU 118 CO -0.07 -0.28 0.30 0.25 -0.73 0.00 0.00 179.01 178.48 1v27 n THR 119 N -5.32 2.89 -1.30 0.32 -2.24 0.18 -4.95 114.28 103.86 1v27 n THR 119 Ca -0.08 -2.01 -0.29 0.00 -2.27 0.00 0.00 64.05 59.40 1v27 n THR 119 Cb 0.24 -0.38 0.17 0.00 -2.10 0.00 0.00 70.33 68.25 1v27 n THR 119 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1v27 s ALA 120 N -3.14 1.21 -0.20 6.98 0.00 0.16 -4.83 121.76 121.93 1v27 s ALA 120 Ca 0.52 -0.47 0.01 0.00 0.00 0.00 0.00 51.96 52.02 1v27 s ALA 120 Cb 0.44 -3.07 0.05 0.00 0.00 0.00 0.00 23.12 20.53 1v27 s ALA 120 CO 0.09 -2.70 -0.09 -0.51 0.00 0.00 0.00 175.76 172.56 1v27 s LEU 121 N -6.34 2.21 -0.30 0.00 1.43 -1.26 -5.02 118.68 109.40 1v27 s LEU 121 Ca 0.65 -0.90 0.02 0.00 -1.03 0.00 0.00 54.13 52.88 1v27 s LEU 121 Cb -0.17 -1.17 0.09 0.00 0.03 0.00 0.00 46.19 44.97 1v27 s LEU 121 CO 0.56 -0.17 0.02 -0.76 0.23 0.00 0.00 176.35 176.23 1v27 s LEU 122 N 1.44 3.57 0.00 1.79 2.01 -1.26 -4.26 118.68 121.97 1v27 s LEU 122 Ca -0.02 -1.75 0.00 0.00 0.01 0.00 0.00 54.13 52.38 1v27 s LEU 122 Cb -0.16 -1.35 0.00 0.00 0.01 0.00 0.00 46.19 44.69 1v27 s LEU 122 CO -0.08 -0.34 0.86 -0.67 1.01 0.00 0.00 176.35 177.14 1v27 n ASP 123 N 4.50 -0.80 -4.07 2.29 -0.08 -1.13 -4.52 116.55 112.73 1v27 n ASP 123 Ca -0.03 -1.73 -0.32 0.00 -1.51 0.00 0.00 54.79 51.20 1v27 n ASP 123 Cb 0.42 0.24 -0.01 0.00 2.34 0.00 0.00 41.12 44.12 1v27 n ASP 123 CO 0.00 0.00 0.00 -0.67 0.12 0.00 0.00 177.20 176.65 1v27 n ASP 124 N 0.00 -3.24 -4.18 1.67 2.03 -1.05 -4.94 116.55 106.84 1v27 n ASP 124 Ca -0.23 -0.93 -0.32 0.00 0.52 0.00 0.00 54.79 53.83 1v27 n ASP 124 Cb 0.64 -3.19 -0.17 0.00 -0.72 0.00 0.00 41.12 37.69 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 -6.75 3.00 -0.04 -0.67 2.02 -1.26 -5.02 118.70 109.98 1v27 s GLU 125 Ca 0.58 -0.85 -0.30 0.00 0.02 0.00 0.00 54.97 54.42 1v27 s GLU 125 Cb -0.31 -2.39 -0.04 0.00 0.10 0.00 0.00 34.13 31.50 1v27 s GLU 125 CO 0.89 0.03 1.21 -1.25 0.02 0.00 0.00 175.26 176.16 1v27 s PRO 126 N 0.71 4.36 -0.01 0.39 0.04 -1.26 -4.46 135.00 134.78 1v27 s PRO 126 Ca -0.10 1.71 0.06 0.00 0.04 0.00 0.00 61.00 62.71 1v27 s PRO 126 Cb -0.16 -3.53 -0.02 0.00 0.04 0.00 0.00 34.50 30.83 1v27 s PRO 126 CO 0.00 -0.43 -0.20 -1.01 0.04 0.00 0.00 177.00 175.40 1v27 s HIS 127 N 2.09 1.77 -0.42 0.56 3.76 -1.25 -5.02 115.29 116.78 1v27 s HIS 127 Ca 0.57 -0.34 -0.19 0.00 -0.15 0.00 0.00 55.06 54.94 1v27 s HIS 127 Cb -0.26 -1.13 0.02 0.00 1.11 0.00 0.00 32.58 32.33 1v27 s HIS 127 CO 0.23 -0.01 0.56 -1.58 -0.85 0.00 0.00 174.74 173.09 1v27 s TRP 128 N -0.51 3.11 -0.37 1.40 0.52 -1.26 -2.98 118.94 118.84 1v27 s TRP 128 Ca 0.08 -0.14 -0.12 0.00 0.02 0.00 0.00 56.10 55.94 1v27 s TRP 128 Cb -0.08 -3.15 0.02 0.00 -1.15 0.00 0.00 33.47 29.11 1v27 s TRP 128 CO -0.00 -0.78 0.23 0.71 0.02 0.00 0.00 176.95 177.13 1v27 s TYR 129 N 2.55 3.23 0.65 -1.98 2.02 -0.07 -4.88 117.35 118.87 1v27 s TYR 129 Ca 0.19 -0.73 -0.18 0.00 -0.37 0.00 0.00 57.07 55.98 1v27 s TYR 129 Cb -0.15 -2.48 -0.02 0.00 -0.40 0.00 0.00 41.96 38.91 1v27 s TYR 129 CO 0.17 -0.58 1.09 1.63 -1.57 0.00 0.00 175.55 176.29 1v27 n LYS 130 N 5.05 0.88 -3.41 -0.62 4.01 -1.26 -1.66 118.16 121.16 1v27 n LYS 130 Ca -0.12 0.35 -0.32 0.00 -0.51 0.00 0.00 58.31 57.72 1v27 n LYS 130 Cb 0.47 -2.32 -0.05 0.00 -0.51 0.00 0.00 35.03 32.62 1v27 n LYS 130 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 1v27 s LEU 131 N -3.20 4.16 -0.19 -0.35 2.01 -0.06 -4.86 118.68 116.18 1v27 s LEU 131 Ca 0.78 0.89 -0.00 0.00 0.01 0.00 0.00 54.13 55.81 1v27 s LEU 131 Cb -0.39 -3.65 0.05 0.00 0.01 0.00 0.00 46.19 42.21 1v27 s LEU 131 CO 0.45 -0.08 -0.04 0.00 1.01 0.00 0.00 176.35 177.68 1v27 s GLN 132 N -2.90 1.40 -0.21 1.70 -2.07 -1.22 -4.07 119.66 112.30 1v27 s GLN 132 Ca 0.47 -0.62 -0.16 0.00 -1.82 0.00 0.00 55.36 53.22 1v27 s GLN 132 Cb -0.11 -2.16 -0.11 0.00 -1.09 0.00 0.00 33.01 29.53 1v27 s GLN 132 CO 0.22 -0.49 -0.14 0.25 -1.32 0.00 0.00 175.29 173.81 1v27 n THR 133 N 4.84 1.50 -2.60 3.63 -2.24 -1.26 -3.28 114.28 114.87 1v27 n THR 133 Ca -0.12 -0.05 -0.41 0.00 -2.27 0.00 0.00 64.05 61.20 1v27 n THR 133 Cb 0.47 -2.13 -0.03 0.00 -2.10 0.00 0.00 70.33 66.54 1v27 n THR 133 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 1v27 s HIS 134 N -2.48 2.42 -0.21 4.78 0.09 -1.26 -4.78 115.29 113.85 1v27 s HIS 134 Ca -0.29 -0.37 -0.17 0.00 -0.00 0.00 0.00 55.06 54.23 1v27 s HIS 134 Cb 0.07 -4.60 -0.13 0.00 -0.00 0.00 0.00 32.58 27.92 1v27 s HIS 134 CO 0.45 -1.97 -0.05 -3.47 -0.00 0.00 0.00 174.74 169.70 1v27 n ASP 135 N 8.96 1.88 -3.15 1.40 2.03 -1.26 -5.05 116.55 121.35 1v27 n ASP 135 Ca 0.11 0.43 -0.03 0.00 0.52 0.00 0.00 54.79 55.82 1v27 n ASP 135 Cb 0.49 -0.89 0.00 0.00 -0.72 0.00 0.00 41.12 40.00 1v27 n ASP 135 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 1v27 n SER 136 N -4.43 -6.68 -4.66 1.67 2.88 -1.26 -5.00 113.62 96.14 1v27 n SER 136 Ca -0.31 0.49 -0.30 0.00 -1.33 0.00 0.00 58.87 57.41 1v27 n SER 136 Cb 0.64 -2.10 -0.09 0.00 -0.75 0.00 0.00 64.21 61.91 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 -1.14 2.78 -0.33 0.46 0.00 -1.26 -5.09 107.32 102.74 1v27 s GLY 137 Ca 0.04 -1.19 -0.29 0.00 0.00 0.00 0.00 44.72 43.28 1v27 s GLY 137 CO 0.18 -2.13 1.37 2.56 0.00 0.00 0.00 173.10 175.09 1v27 s PRO 138 N -3.81 3.78 1.03 2.90 0.04 -1.26 -5.00 135.00 132.68 1v27 s PRO 138 Ca 0.19 1.17 -0.11 0.00 0.04 0.00 0.00 61.00 62.28 1v27 s PRO 138 Cb 0.05 -3.95 0.21 0.00 0.04 0.00 0.00 34.50 30.85 1v27 s PRO 138 CO 0.10 -1.30 1.08 -1.12 0.04 0.00 0.00 177.00 175.80 1v27 s SER 139 N 3.35 2.08 -0.17 6.66 0.01 -1.26 -5.01 113.70 119.36 1v27 s SER 139 Ca 0.59 1.78 -0.02 0.00 1.31 0.00 0.00 55.95 59.62 1v27 s SER 139 Cb -0.16 -2.39 -0.01 0.00 0.21 0.00 0.00 66.02 63.66 1v27 s SER 139 CO 0.27 -3.56 -0.09 -0.55 0.41 0.00 0.00 173.24 169.72 1v27 s SER 140 N -2.70 4.14 0.00 2.44 0.15 -1.26 -5.33 113.70 111.14 1v27 s SER 140 Ca 0.67 -0.34 0.00 0.00 0.70 0.00 0.00 55.95 56.98 1v27 s SER 140 Cb -0.23 -1.66 0.00 0.00 -1.71 0.00 0.00 66.02 62.41 1v27 s SER 140 CO 0.61 0.10 0.00 0.61 1.20 0.00 0.00 173.24 175.75