#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 -2.67 -4.15 1.61 2.88 -1.26 -4.63 113.62 105.39 1v27 n SER 2 Ca 0.00 0.68 -0.13 0.00 -1.33 0.00 0.00 58.87 58.09 1v27 n SER 2 Cb 0.00 2.59 -0.11 0.00 -0.75 0.00 0.00 64.21 65.94 1v27 n SER 2 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1v27 s SER 3 N -2.64 1.23 0.00 -3.46 1.04 -1.26 -4.36 113.70 104.25 1v27 s SER 3 Ca 0.00 -0.84 0.00 0.00 0.48 0.00 0.00 55.95 55.59 1v27 s SER 3 Cb 0.00 0.05 0.00 0.00 0.10 0.00 0.00 66.02 66.17 1v27 s SER 3 CO 0.00 -0.33 0.00 0.61 0.98 0.00 0.00 173.24 174.50 1v27 n GLY 4 N 0.47 0.73 1.38 7.32 0.00 -1.26 -5.09 105.19 108.75 1v27 n GLY 4 Ca -0.16 -2.09 0.17 0.00 0.00 0.00 0.00 46.02 43.94 1v27 n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1v27 n SER 5 N 0.00 -7.60 -4.58 1.61 7.64 -1.26 -4.94 113.62 104.48 1v27 n SER 5 Ca 0.00 1.36 -0.24 0.00 1.01 0.00 0.00 58.87 61.00 1v27 n SER 5 Cb 0.00 -4.74 -0.09 0.00 -1.01 0.00 0.00 64.21 58.38 1v27 n SER 5 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1v27 s SER 6 N -7.13 4.03 0.29 6.43 1.04 -1.26 -4.98 113.70 112.12 1v27 s SER 6 Ca 0.00 -0.96 -0.28 0.00 0.48 0.00 0.00 55.95 55.19 1v27 s SER 6 Cb 0.00 -0.51 -0.09 0.00 0.10 0.00 0.00 66.02 65.52 1v27 s SER 6 CO 0.00 -0.11 0.97 -0.83 0.98 0.00 0.00 173.24 174.26 1v27 s GLY 7 N -3.64 2.96 0.00 7.32 0.00 -1.26 -4.73 107.32 107.98 1v27 s GLY 7 Ca 0.32 0.62 0.00 0.00 0.00 0.00 0.00 44.72 45.67 1v27 s GLY 7 CO 0.18 1.14 0.00 0.61 0.00 0.00 0.00 173.10 175.03 1v27 n GLY 8 N 1.01 1.63 2.95 0.20 0.00 -1.26 -4.70 105.19 105.02 1v27 n GLY 8 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.88 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 3.97 0.11 -0.16 1.61 -0.21 -1.23 -1.24 119.66 122.50 1v27 s GLN 9 Ca 0.00 0.68 -0.06 0.00 0.02 0.00 0.00 55.36 56.00 1v27 s GLN 9 Cb 0.00 -0.13 -0.04 0.00 1.00 0.00 0.00 33.01 33.84 1v27 s GLN 9 CO 0.00 -0.30 0.05 -1.17 -2.12 0.00 0.00 175.29 171.75 1v27 s LEU 10 N 2.38 3.79 -0.19 2.90 0.20 0.14 -2.37 118.68 125.53 1v27 s LEU 10 Ca 0.02 0.11 -0.15 0.00 0.69 0.00 0.00 54.13 54.80 1v27 s LEU 10 Cb -0.12 -1.94 -0.04 0.00 -0.43 0.00 0.00 46.19 43.66 1v27 s LEU 10 CO -0.08 0.22 0.33 -0.55 -0.29 0.00 0.00 176.35 175.99 1v27 s SER 11 N 0.07 6.41 0.16 3.68 0.15 -0.11 -0.49 113.70 123.57 1v27 s SER 11 Ca 0.05 0.48 -0.03 0.00 0.70 0.00 0.00 55.95 57.15 1v27 s SER 11 Cb -0.12 -2.20 -0.03 0.00 -1.71 0.00 0.00 66.02 61.95 1v27 s SER 11 CO 0.01 0.01 0.13 -0.63 1.20 0.00 0.00 173.24 173.96 1v27 s ILE 12 N 0.94 0.06 -0.03 6.45 1.01 -1.23 -2.09 121.20 126.31 1v27 s ILE 12 Ca 0.17 -1.84 0.02 0.00 0.00 0.00 0.00 60.65 58.99 1v27 s ILE 12 Cb -0.14 -2.17 0.01 0.00 0.01 0.00 0.00 42.46 40.18 1v27 s ILE 12 CO 0.06 -0.27 -0.06 -0.75 0.00 0.00 0.00 174.94 173.92 1v27 s LYS 13 N -4.07 0.84 0.09 2.79 2.20 0.74 -2.58 119.74 119.74 1v27 s LYS 13 Ca 0.28 -0.18 0.07 0.00 -0.36 0.00 0.00 55.97 55.78 1v27 s LYS 13 Cb 0.06 -0.81 -0.03 0.00 -1.51 0.00 0.00 37.83 35.54 1v27 s LYS 13 CO 0.05 -0.00 -0.17 -0.51 -0.36 0.00 0.00 175.35 174.36 1v27 s LEU 14 N 0.58 2.29 0.06 5.43 1.43 -1.26 0.97 118.68 128.18 1v27 s LEU 14 Ca -0.08 -0.65 -0.23 0.00 -1.03 0.00 0.00 54.13 52.13 1v27 s LEU 14 Cb -0.12 -0.69 0.06 0.00 0.03 0.00 0.00 46.19 45.47 1v27 s LEU 14 CO 0.00 -0.01 0.55 0.86 0.23 0.00 0.00 176.35 177.98 1v27 s TRP 15 N -1.22 -0.47 -0.16 0.29 -0.11 0.18 -3.09 118.94 114.37 1v27 s TRP 15 Ca 0.02 0.52 0.02 0.00 1.22 0.00 0.00 56.10 57.87 1v27 s TRP 15 Cb -0.10 0.39 0.01 0.00 -1.50 0.00 0.00 33.47 32.27 1v27 s TRP 15 CO 0.03 -0.68 -0.21 0.12 -4.62 0.00 0.00 176.95 171.59 1v27 s PHE 16 N -2.55 2.71 -0.72 5.86 5.36 -1.26 0.96 117.98 128.33 1v27 s PHE 16 Ca -0.05 -1.48 -0.13 0.00 -0.96 0.00 0.00 56.93 54.31 1v27 s PHE 16 Cb -0.01 -1.86 0.19 0.00 -0.34 0.00 0.00 43.02 41.00 1v27 s PHE 16 CO -0.02 -0.70 0.64 0.34 -1.46 0.00 0.00 175.22 174.02 1v27 s ASP 17 N 1.04 6.40 0.56 6.13 -1.08 0.22 -4.86 116.67 125.07 1v27 s ASP 17 Ca -0.02 -2.46 0.34 0.00 -0.52 0.00 0.00 52.55 49.90 1v27 s ASP 17 Cb -0.14 -2.16 1.53 0.00 -1.46 0.00 0.00 42.92 40.68 1v27 s ASP 17 CO -0.07 -0.62 2.05 0.07 0.52 0.00 0.00 175.17 177.12 1v27 h LYS 18 N 7.99 0.00 0.00 4.34 -0.00 -1.93 0.63 116.57 127.60 1v27 h LYS 18 Ca -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.63 1v27 h LYS 18 Cb 1.05 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 33.28 1v27 h LYS 18 CO 0.82 0.03 0.00 0.28 -0.00 0.00 0.00 179.45 180.58 1v27 n VAL 19 N -3.17 0.00 0.82 0.07 0.31 -1.26 -3.09 118.33 112.00 1v27 n VAL 19 Ca -0.00 1.42 0.12 0.00 -0.01 0.00 0.00 64.34 65.87 1v27 n VAL 19 Cb 0.27 -2.21 0.25 0.00 -0.91 0.00 0.00 33.84 31.23 1v27 n VAL 19 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1v27 n GLY 20 N -0.96 1.05 2.74 2.92 0.00 -1.22 -4.95 105.19 104.77 1v27 n GLY 20 Ca 0.00 -0.63 -0.12 0.00 0.00 0.00 0.00 46.02 45.27 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 1.08 -1.63 -4.88 1.61 -0.00 0.18 -4.74 115.22 106.85 1v27 n HIS 21 Ca 0.17 0.65 -0.29 0.00 -0.00 0.00 0.00 57.72 58.25 1v27 n HIS 21 Cb 0.52 -4.03 -0.15 0.00 -0.00 0.00 0.00 29.99 26.34 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 -4.66 1.72 -0.34 -0.41 -0.21 0.91 0.20 119.66 116.87 1v27 s GLN 22 Ca 0.11 -1.03 -0.15 0.00 0.02 0.00 0.00 55.36 54.30 1v27 s GLN 22 Cb -0.01 -1.85 -0.01 0.00 1.00 0.00 0.00 33.01 32.14 1v27 s GLN 22 CO 0.52 0.48 0.36 -1.17 -2.12 0.00 0.00 175.29 173.36 1v27 s LEU 23 N -1.12 4.46 0.00 2.90 2.96 0.12 0.71 118.68 128.71 1v27 s LEU 23 Ca 0.10 -0.26 -0.20 0.00 -0.22 0.00 0.00 54.13 53.55 1v27 s LEU 23 Cb -0.10 -2.33 -0.05 0.00 0.50 0.00 0.00 46.19 44.21 1v27 s LEU 23 CO 0.02 -0.34 0.59 -0.63 -1.32 0.00 0.00 176.35 174.67 1v27 s ILE 24 N 2.00 4.89 -0.17 6.68 1.09 0.27 -0.89 121.20 135.07 1v27 s ILE 24 Ca 0.11 1.25 -0.08 0.00 -1.10 0.00 0.00 60.65 60.83 1v27 s ILE 24 Cb -0.17 -3.93 0.07 0.00 -1.06 0.00 0.00 42.46 37.37 1v27 s ILE 24 CO 0.12 0.43 0.39 0.54 -0.10 0.00 0.00 174.94 176.32 1v27 s VAL 25 N -0.28 -0.21 -0.12 2.92 0.11 0.04 0.51 120.40 123.35 1v27 s VAL 25 Ca 0.31 0.13 0.02 0.00 -2.93 0.00 0.00 61.98 59.51 1v27 s VAL 25 Cb -0.18 -0.59 0.01 0.00 -1.53 0.00 0.00 36.38 34.09 1v27 s VAL 25 CO 0.17 0.05 -0.18 -0.89 -3.33 0.00 0.00 175.10 170.93 1v27 s THR 26 N 1.77 1.71 -1.07 5.04 2.01 0.27 -0.50 115.64 124.88 1v27 s THR 26 Ca -0.07 -0.77 -0.19 0.00 0.31 0.00 0.00 61.69 60.98 1v27 s THR 26 Cb -0.10 -1.54 0.11 0.00 0.01 0.00 0.00 72.50 70.98 1v27 s THR 26 CO -0.12 0.48 1.37 -0.63 -0.69 0.00 0.00 174.62 175.03 1v27 s ILE 27 N 0.94 4.51 0.00 1.82 -1.09 -1.17 -0.19 121.20 126.01 1v27 s ILE 27 Ca -0.06 -1.67 0.00 0.00 -2.23 0.00 0.00 60.65 56.69 1v27 s ILE 27 Cb -0.15 -4.94 0.00 0.00 -1.58 0.00 0.00 42.46 35.79 1v27 s ILE 27 CO -0.02 -1.72 0.00 0.18 -1.23 0.00 0.00 174.94 172.15 1v27 n LEU 28 N 7.20 0.00 -3.47 2.97 4.32 -1.05 0.30 117.00 127.26 1v27 n LEU 28 Ca 0.33 0.00 -0.10 0.00 -0.02 0.00 0.00 56.01 56.22 1v27 n LEU 28 Cb 0.48 0.00 -0.02 0.00 -1.62 0.00 0.00 43.42 42.26 1v27 n LEU 28 CO 0.61 0.00 0.57 -0.83 -1.22 0.00 0.00 177.39 176.52 1v27 s GLY 29 N 0.00 -0.52 0.54 -0.72 0.00 -0.89 0.13 107.32 105.86 1v27 s GLY 29 Ca 0.00 0.84 0.02 0.00 0.00 0.00 0.00 44.72 45.58 1v27 s GLY 29 CO 0.00 0.30 0.76 0.00 0.00 0.00 0.00 173.10 174.16 1v27 s ALA 30 N -3.28 3.92 0.24 3.20 0.00 -0.96 -0.93 121.76 123.95 1v27 s ALA 30 Ca 0.03 -1.33 -0.19 0.00 0.00 0.00 0.00 51.96 50.47 1v27 s ALA 30 Cb -0.01 -2.06 0.02 0.00 0.00 0.00 0.00 23.12 21.08 1v27 s ALA 30 CO -0.10 -0.72 0.61 -1.59 0.00 0.00 0.00 175.76 173.96 1v27 s LYS 31 N -4.74 1.57 -1.39 0.00 0.00 -1.00 -3.74 119.74 110.44 1v27 s LYS 31 Ca 0.57 -0.94 -0.02 0.00 0.00 0.00 0.00 55.97 55.59 1v27 s LYS 31 Cb -0.10 0.56 0.01 0.00 0.00 0.00 0.00 37.83 38.30 1v27 s LYS 31 CO 0.38 -0.69 0.57 -0.25 0.00 0.00 0.00 175.35 175.35 1v27 n ASP 32 N -0.40 -0.97 -4.85 0.03 8.00 -1.26 -3.58 116.55 113.52 1v27 n ASP 32 Ca -0.07 -0.93 -0.32 0.00 0.71 0.00 0.00 54.79 54.19 1v27 n ASP 32 Cb 0.61 -3.46 -0.05 0.00 -0.02 0.00 0.00 41.12 38.20 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 -6.89 4.00 -0.32 0.64 1.43 -1.26 -4.51 118.68 111.77 1v27 s LEU 33 Ca 0.07 1.25 -0.29 0.00 -1.03 0.00 0.00 54.13 54.13 1v27 s LEU 33 Cb -0.03 -4.07 0.00 0.00 0.03 0.00 0.00 46.19 42.11 1v27 s LEU 33 CO 0.86 -0.26 1.36 -2.16 0.23 0.00 0.00 176.35 176.39 1v27 s PRO 34 N -3.20 3.81 0.24 1.29 0.04 -1.26 -5.01 135.00 130.91 1v27 s PRO 34 Ca 0.54 1.21 -0.03 0.00 0.04 0.00 0.00 61.00 62.75 1v27 s PRO 34 Cb -0.10 -3.93 0.05 0.00 0.04 0.00 0.00 34.50 30.56 1v27 s PRO 34 CO 0.21 -1.26 0.33 -1.13 0.04 0.00 0.00 177.00 175.19 1v27 n SER 35 N 8.03 0.13 -0.02 6.66 3.41 -1.26 -5.04 113.62 125.54 1v27 n SER 35 Ca 0.16 -1.18 -0.03 0.00 -0.26 0.00 0.00 58.87 57.56 1v27 n SER 35 Cb 0.47 -0.24 -0.01 0.00 -0.26 0.00 0.00 64.21 64.17 1v27 n SER 35 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 1v27 n ARG 36 N -1.68 0.15 0.00 4.33 0.63 -1.18 -5.07 116.66 113.85 1v27 n ARG 36 Ca 0.04 0.06 0.00 0.00 -0.92 0.00 0.00 57.85 57.03 1v27 n ARG 36 Cb 0.16 -0.66 0.00 0.00 0.45 0.00 0.00 32.46 32.40 1v27 n ARG 36 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 1v27 n GLU 37 N -3.22 -1.31 -2.69 -0.14 -0.58 -1.26 -4.95 120.64 106.49 1v27 n GLU 37 Ca -0.04 0.00 -0.05 0.00 -0.42 0.00 0.00 57.16 56.65 1v27 n GLU 37 Cb 0.15 0.00 -0.01 0.00 -0.57 0.00 0.00 31.44 31.01 1v27 n GLU 37 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 1v27 n ASP 38 N 0.00 -1.37 -3.01 1.62 9.92 -1.26 0.78 116.55 123.23 1v27 n ASP 38 Ca 0.00 0.30 -0.13 0.00 -0.53 0.00 0.00 54.79 54.43 1v27 n ASP 38 Cb 0.00 -1.29 0.07 0.00 -0.64 0.00 0.00 41.12 39.25 1v27 n ASP 38 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1v27 n GLY 39 N -0.59 -0.65 3.24 0.44 0.00 -1.26 -4.99 105.19 101.39 1v27 n GLY 39 Ca -0.00 0.31 -0.39 0.00 0.00 0.00 0.00 46.02 45.93 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 -4.51 2.52 0.00 1.61 0.52 0.23 -5.07 118.95 114.25 1v27 s ARG 40 Ca 0.26 -1.51 0.00 0.00 -0.52 0.00 0.00 55.73 53.96 1v27 s ARG 40 Cb -0.03 -3.73 0.00 0.00 0.52 0.00 0.00 34.95 31.71 1v27 s ARG 40 CO 0.63 -0.96 0.00 -0.35 0.02 0.00 0.00 175.30 174.63 1v27 n PRO 41 N 4.86 0.75 -1.74 3.54 -0.04 -1.26 -3.09 135.00 138.02 1v27 n PRO 41 Ca -0.09 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.34 1v27 n PRO 41 Cb 0.43 0.00 0.01 0.00 -0.04 0.00 0.00 33.50 33.89 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 -0.21 0.26 -3.81 0.54 1.85 -1.26 -4.86 116.66 109.16 1v27 n ARG 42 Ca 0.00 -0.56 -0.31 0.00 -1.00 0.00 0.00 57.85 55.98 1v27 n ARG 42 Cb 0.00 0.67 -0.10 0.00 -1.05 0.00 0.00 32.46 31.98 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 -1.50 5.16 0.81 2.89 0.01 -1.26 0.58 114.94 121.63 1v27 s ASN 43 Ca 0.04 -3.64 -0.12 0.00 -0.71 0.00 0.00 52.86 48.43 1v27 s ASN 43 Cb -0.01 -1.74 0.08 0.00 0.41 0.00 0.00 41.25 39.99 1v27 s ASN 43 CO 0.03 -0.15 1.10 -2.16 -1.51 0.00 0.00 177.10 174.41 1v27 s PRO 44 N -1.18 2.00 -0.29 -0.60 0.04 -1.23 0.26 135.00 134.00 1v27 s PRO 44 Ca 0.24 0.61 -0.22 0.00 0.04 0.00 0.00 61.00 61.68 1v27 s PRO 44 Cb -0.09 -1.91 0.15 0.00 0.04 0.00 0.00 34.50 32.69 1v27 s PRO 44 CO -0.12 -1.67 1.13 1.52 0.04 0.00 0.00 177.00 177.90 1v27 s TYR 45 N -3.16 -0.37 0.45 0.56 -0.85 -0.95 -2.27 117.35 110.76 1v27 s TYR 45 Ca 0.61 0.82 -0.04 0.00 -0.52 0.00 0.00 57.07 57.95 1v27 s TYR 45 Cb -0.14 0.35 -0.03 0.00 0.38 0.00 0.00 41.96 42.52 1v27 s TYR 45 CO 0.54 -0.18 0.73 0.08 -1.52 0.00 0.00 175.55 175.20 1v27 s VAL 46 N 0.56 4.90 -0.22 -3.49 1.01 -1.26 -2.49 120.40 119.41 1v27 s VAL 46 Ca -0.00 0.01 -0.04 0.00 0.00 0.00 0.00 61.98 61.95 1v27 s VAL 46 Cb -0.04 -3.84 0.10 0.00 0.00 0.00 0.00 36.38 32.59 1v27 s VAL 46 CO -0.11 -0.75 0.20 -0.75 0.00 0.00 0.00 175.10 173.68 1v27 s LYS 47 N -4.64 0.19 0.22 2.72 2.20 -0.41 -3.46 119.74 116.57 1v27 s LYS 47 Ca 0.46 -0.01 -0.08 0.00 -0.36 0.00 0.00 55.97 55.98 1v27 s LYS 47 Cb -0.10 -1.23 -0.07 0.00 -1.51 0.00 0.00 37.83 34.92 1v27 s LYS 47 CO 0.42 -0.77 0.53 0.42 -0.36 0.00 0.00 175.35 175.59 1v27 s ILE 48 N 2.27 4.98 -0.28 5.43 1.01 0.60 -2.24 121.20 132.96 1v27 s ILE 48 Ca 0.07 0.36 0.02 0.00 0.00 0.00 0.00 60.65 61.09 1v27 s ILE 48 Cb -0.16 -3.63 0.17 0.00 0.01 0.00 0.00 42.46 38.85 1v27 s ILE 48 CO -0.18 -0.09 0.46 -0.31 0.00 0.00 0.00 174.94 174.82 1v27 s TYR 49 N -1.83 -1.24 -0.89 3.97 2.02 -1.17 -2.85 117.35 115.36 1v27 s TYR 49 Ca 0.46 0.72 -0.24 0.00 -0.37 0.00 0.00 57.07 57.63 1v27 s TYR 49 Cb -0.11 0.05 -0.00 0.00 -0.40 0.00 0.00 41.96 41.50 1v27 s TYR 49 CO 0.23 -0.96 1.70 0.12 -1.57 0.00 0.00 175.55 175.07 1v27 s PHE 50 N 2.64 2.08 0.54 2.71 5.36 -1.11 -2.80 117.98 127.40 1v27 s PHE 50 Ca 0.11 0.08 -0.15 0.00 -0.96 0.00 0.00 56.93 56.01 1v27 s PHE 50 Cb -0.13 -4.33 -0.07 0.00 -0.34 0.00 0.00 43.02 38.15 1v27 s PHE 50 CO -0.26 -1.91 0.99 -0.51 -1.46 0.00 0.00 175.22 172.06 1v27 s LEU 51 N 7.78 3.52 0.11 6.12 1.43 -0.74 -3.73 118.68 133.18 1v27 s LEU 51 Ca 0.58 1.51 -0.30 0.00 -1.03 0.00 0.00 54.13 54.88 1v27 s LEU 51 Cb -0.05 -4.47 -0.06 0.00 0.03 0.00 0.00 46.19 41.63 1v27 s LEU 51 CO 0.00 -0.66 1.15 -2.16 0.23 0.00 0.00 176.35 174.91 1v27 s PRO 52 N -4.38 4.50 0.00 1.29 0.04 -1.26 -2.32 135.00 132.87 1v27 s PRO 52 Ca 0.57 1.73 0.00 0.00 0.04 0.00 0.00 61.00 63.35 1v27 s PRO 52 Cb -0.10 -3.32 0.00 0.00 0.04 0.00 0.00 34.50 31.11 1v27 s PRO 52 CO 0.38 -0.11 0.00 -0.25 0.04 0.00 0.00 177.00 177.05 1v27 n ASP 53 N 3.28 0.00 -3.62 6.66 8.00 -1.24 -5.05 116.55 124.58 1v27 n ASP 53 Ca 0.06 0.00 0.01 0.00 0.71 0.00 0.00 54.79 55.57 1v27 n ASP 53 Cb 0.47 0.00 -0.01 0.00 -0.02 0.00 0.00 41.12 41.56 1v27 n ASP 53 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 1v27 s ARG 54 N -2.01 0.39 0.00 -1.24 0.52 -1.26 -4.70 118.95 110.64 1v27 s ARG 54 Ca 0.00 -0.21 0.00 0.00 -0.52 0.00 0.00 55.73 55.00 1v27 s ARG 54 Cb 0.00 0.14 0.00 0.00 0.52 0.00 0.00 34.95 35.61 1v27 s ARG 54 CO 0.00 -0.18 0.00 0.45 0.02 0.00 0.00 175.30 175.59 1v27 n SER 55 N -0.44 0.00 -0.56 0.23 2.88 -1.26 -4.79 113.62 109.68 1v27 n SER 55 Ca -0.07 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.47 1v27 n SER 55 Cb 0.62 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.08 1v27 n SER 55 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 1v27 n ASP 56 N 3.66 0.00 0.00 -3.46 5.75 -1.26 -4.88 116.55 116.36 1v27 n ASP 56 Ca 0.00 -0.56 0.00 0.00 -0.01 0.00 0.00 54.79 54.22 1v27 n ASP 56 Cb 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.09 1v27 n ASP 56 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1v27 n LYS 57 N 0.00 0.00 -1.34 0.11 4.01 -1.26 -3.62 118.16 116.06 1v27 n LYS 57 Ca 0.00 0.00 -0.24 0.00 -0.51 0.00 0.00 58.31 57.56 1v27 n LYS 57 Cb 0.00 0.00 0.11 0.00 -0.51 0.00 0.00 35.03 34.63 1v27 n LYS 57 CO 0.00 0.00 0.00 0.09 -1.11 0.00 0.00 177.40 176.38 1v27 n ASN 58 N 3.20 5.29 -4.63 4.39 3.02 -1.26 -4.95 115.26 120.32 1v27 n ASN 58 Ca 0.00 -3.75 -0.35 0.00 -0.03 0.00 0.00 54.58 50.45 1v27 n ASN 58 Cb 0.00 -0.76 -0.10 0.00 -0.61 0.00 0.00 39.78 38.32 1v27 n ASN 58 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 1v27 s LYS 59 N -3.56 3.98 -0.05 3.52 2.20 -1.24 -2.76 119.74 121.82 1v27 s LYS 59 Ca 0.56 -0.33 -0.02 0.00 -0.36 0.00 0.00 55.97 55.82 1v27 s LYS 59 Cb 0.46 -3.30 0.03 0.00 -1.51 0.00 0.00 37.83 33.52 1v27 s LYS 59 CO 0.02 0.19 0.11 0.50 -0.36 0.00 0.00 175.35 175.82 1v27 s ARG 60 N 0.61 0.06 0.02 4.03 6.06 -1.13 -4.99 118.95 123.61 1v27 s ARG 60 Ca 0.04 0.29 0.00 0.00 -2.50 0.00 0.00 55.73 53.57 1v27 s ARG 60 Cb -0.13 -0.16 -0.01 0.00 0.06 0.00 0.00 34.95 34.71 1v27 s ARG 60 CO 0.01 -0.14 -0.03 0.50 -2.50 0.00 0.00 175.30 173.14 1v27 s ARG 61 N 0.98 0.27 0.79 5.12 3.52 -1.26 -0.29 118.95 128.08 1v27 s ARG 61 Ca -0.08 -0.44 -0.10 0.00 -0.13 0.00 0.00 55.73 54.99 1v27 s ARG 61 Cb -0.10 -0.02 0.10 0.00 -1.56 0.00 0.00 34.95 33.38 1v27 s ARG 61 CO -0.04 -0.01 1.13 0.95 -0.81 0.00 0.00 175.30 176.51 1v27 s THR 62 N -0.97 2.13 0.42 4.11 -4.23 -1.22 -5.01 115.64 110.86 1v27 s THR 62 Ca -0.10 -0.17 -0.25 0.00 -1.18 0.00 0.00 61.69 60.00 1v27 s THR 62 Cb -0.07 -2.96 -0.08 0.00 1.34 0.00 0.00 72.50 70.73 1v27 s THR 62 CO -0.00 0.00 1.24 -1.59 -0.54 0.00 0.00 174.62 173.72 1v27 s LYS 63 N -5.47 3.90 -0.32 3.99 -2.85 -1.26 -4.77 119.74 112.95 1v27 s LYS 63 Ca 0.64 1.99 -0.29 0.00 -1.00 0.00 0.00 55.97 57.32 1v27 s LYS 63 Cb -0.09 -2.63 0.02 0.00 -2.06 0.00 0.00 37.83 33.07 1v27 s LYS 63 CO 0.48 -0.50 1.07 0.99 0.10 0.00 0.00 175.35 177.49 1v27 s THR 64 N -1.36 4.51 0.40 3.79 2.01 -1.26 -4.80 115.64 118.93 1v27 s THR 64 Ca 0.59 1.71 -0.23 0.00 0.31 0.00 0.00 61.69 64.07 1v27 s THR 64 Cb -0.34 -4.42 -0.10 0.00 0.01 0.00 0.00 72.50 67.65 1v27 s THR 64 CO 0.43 -0.49 0.96 -0.69 -0.69 0.00 0.00 174.62 174.14 1v27 s VAL 65 N 3.66 4.26 -0.19 3.82 1.01 -0.96 -5.01 120.40 126.99 1v27 s VAL 65 Ca 0.45 1.56 -0.02 0.00 0.00 0.00 0.00 61.98 63.96 1v27 s VAL 65 Cb -0.12 -3.72 -0.01 0.00 0.00 0.00 0.00 36.38 32.53 1v27 s VAL 65 CO 0.16 -0.16 -0.08 -0.54 0.00 0.00 0.00 175.10 174.48 1v27 s LYS 66 N -2.81 3.36 -0.10 2.72 -0.14 -1.26 -3.50 119.74 118.01 1v27 s LYS 66 Ca 0.59 -0.65 -0.03 0.00 -1.36 0.00 0.00 55.97 54.51 1v27 s LYS 66 Cb -0.13 -2.86 0.01 0.00 -1.68 0.00 0.00 37.83 33.17 1v27 s LYS 66 CO 0.17 -0.06 0.06 1.63 -0.76 0.00 0.00 175.35 176.39 1v27 n LYS 67 N 4.36 -2.16 -3.17 1.68 5.02 0.20 -4.93 118.16 119.15 1v27 n LYS 67 Ca -0.18 1.90 0.05 0.00 -2.02 0.00 0.00 58.31 58.05 1v27 n LYS 67 Cb 0.51 -2.67 -0.03 0.00 -0.02 0.00 0.00 35.03 32.82 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 -0.74 -0.10 -0.07 -0.18 -1.32 -0.29 -4.81 115.64 108.13 1v27 s THR 68 Ca -0.06 0.00 0.28 0.00 -1.21 0.00 0.00 61.69 60.70 1v27 s THR 68 Cb 0.00 -1.00 0.34 0.00 -1.51 0.00 0.00 72.50 70.33 1v27 s THR 68 CO 0.33 0.00 1.82 -0.07 -2.21 0.00 0.00 174.62 174.49 1v27 h LEU 69 N 7.58 0.00 -7.03 9.08 3.38 -1.96 -3.38 115.31 122.98 1v27 h LEU 69 Ca -0.12 0.00 -0.61 0.00 0.09 0.00 0.00 57.88 57.24 1v27 h LEU 69 Cb 1.15 0.00 -0.40 0.00 0.09 0.00 0.00 40.66 41.50 1v27 h LEU 69 CO -0.08 0.06 -0.73 -1.61 0.09 0.00 0.00 178.44 176.16 1v27 s GLU 70 N -3.49 1.27 0.55 1.13 2.02 -1.26 -4.05 118.70 114.87 1v27 s GLU 70 Ca 0.03 -1.96 -0.17 0.00 0.02 0.00 0.00 54.97 52.89 1v27 s GLU 70 Cb 0.08 -2.37 -0.06 0.00 0.10 0.00 0.00 34.13 31.88 1v27 s GLU 70 CO 0.60 -1.14 1.04 -1.25 0.02 0.00 0.00 175.26 174.54 1v27 s PRO 71 N 0.44 3.55 -0.25 0.39 0.04 -1.25 -4.88 135.00 133.04 1v27 s PRO 71 Ca 0.17 1.24 -0.04 0.00 0.04 0.00 0.00 61.00 62.41 1v27 s PRO 71 Cb -0.24 -2.06 0.09 0.00 0.04 0.00 0.00 34.50 32.32 1v27 s PRO 71 CO -0.01 -0.62 0.13 0.15 0.04 0.00 0.00 177.00 176.68 1v27 s LYS 72 N -3.76 0.16 -0.25 4.56 1.02 -1.26 -2.26 119.74 117.94 1v27 s LYS 72 Ca 0.65 -0.37 -0.10 0.00 0.02 0.00 0.00 55.97 56.17 1v27 s LYS 72 Cb -0.16 -1.34 -0.12 0.00 -0.52 0.00 0.00 37.83 35.69 1v27 s LYS 72 CO 0.30 -0.91 -0.30 0.91 -0.92 0.00 0.00 175.35 174.42 1v27 n TRP 73 N 5.26 0.00 -4.03 3.18 8.01 0.36 -4.96 117.44 125.26 1v27 n TRP 73 Ca -0.06 0.00 -0.33 0.00 -1.31 0.00 0.00 57.50 55.79 1v27 n TRP 73 Cb 0.44 -0.92 -0.06 0.00 -2.01 0.00 0.00 31.31 28.76 1v27 n TRP 73 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.69 174.97 1v27 n ASN 74 N -3.93 -1.59 -4.22 -0.99 5.15 0.87 -4.86 115.26 105.67 1v27 n ASN 74 Ca -0.49 -0.89 -0.30 0.00 -0.60 0.00 0.00 54.58 52.31 1v27 n ASN 74 Cb 0.88 -1.41 0.17 0.00 -0.53 0.00 0.00 39.78 38.89 1v27 n ASN 74 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 1v27 s GLN 75 N -6.53 0.80 -0.02 1.20 -1.52 -1.20 -4.78 119.66 107.60 1v27 s GLN 75 Ca 0.65 -0.35 0.06 0.00 -1.95 0.00 0.00 55.36 53.77 1v27 s GLN 75 Cb -0.38 -1.86 -0.02 0.00 -0.22 0.00 0.00 33.01 30.53 1v27 s GLN 75 CO 0.80 -2.32 -0.20 0.99 -0.25 0.00 0.00 175.29 174.31 1v27 s THR 76 N -3.85 2.54 -0.19 -0.19 2.01 -1.26 -3.05 115.64 111.64 1v27 s THR 76 Ca 0.73 -0.98 -0.04 0.00 0.31 0.00 0.00 61.69 61.71 1v27 s THR 76 Cb -0.05 -1.96 0.10 0.00 0.01 0.00 0.00 72.50 70.60 1v27 s THR 76 CO 0.53 0.55 0.31 -0.36 -0.69 0.00 0.00 174.62 174.95 1v27 s PHE 77 N -0.70 -0.55 -0.01 4.92 0.08 0.34 -4.98 117.98 117.07 1v27 s PHE 77 Ca 0.11 0.81 -0.01 0.00 0.12 0.00 0.00 56.93 57.96 1v27 s PHE 77 Cb -0.10 -0.06 -0.04 0.00 -0.57 0.00 0.00 43.02 42.25 1v27 s PHE 77 CO 0.00 -0.54 0.09 0.42 -0.10 0.00 0.00 175.22 175.09 1v27 s ILE 78 N 2.46 4.78 -0.18 0.64 1.01 -1.26 -0.78 121.20 127.87 1v27 s ILE 78 Ca 0.06 -0.37 -0.03 0.00 0.00 0.00 0.00 60.65 60.31 1v27 s ILE 78 Cb -0.14 -3.18 0.06 0.00 0.01 0.00 0.00 42.46 39.21 1v27 s ILE 78 CO -0.12 0.37 0.04 -0.31 0.00 0.00 0.00 174.94 174.91 1v27 s TYR 79 N -1.19 0.93 0.09 3.97 2.02 -0.07 -4.90 117.35 118.21 1v27 s TYR 79 Ca 0.23 -0.75 -0.08 0.00 -0.37 0.00 0.00 57.07 56.09 1v27 s TYR 79 Cb -0.12 -0.98 -0.00 0.00 -0.40 0.00 0.00 41.96 40.46 1v27 s TYR 79 CO 0.14 -0.58 0.19 -1.54 -1.57 0.00 0.00 175.55 172.18 1v27 s SER 80 N 1.89 0.13 0.33 2.29 1.04 -1.26 0.10 113.70 118.22 1v27 s SER 80 Ca -0.00 -0.69 -0.27 0.00 0.48 0.00 0.00 55.95 55.47 1v27 s SER 80 Cb -0.17 0.34 -0.09 0.00 0.10 0.00 0.00 66.02 66.20 1v27 s SER 80 CO -0.08 -0.74 1.07 -2.16 0.98 0.00 0.00 173.24 172.32 1v27 s PRO 81 N -3.87 4.45 -0.12 4.02 0.04 -1.26 -5.07 135.00 133.19 1v27 s PRO 81 Ca 0.06 1.67 -0.01 0.00 0.04 0.00 0.00 61.00 62.75 1v27 s PRO 81 Cb 0.05 -2.93 0.03 0.00 0.04 0.00 0.00 34.50 31.70 1v27 s PRO 81 CO -0.10 0.08 -0.02 0.08 0.04 0.00 0.00 177.00 177.08 1v27 s VAL 82 N -1.37 0.70 0.20 -0.36 1.01 0.52 -4.99 120.40 116.12 1v27 s VAL 82 Ca 0.50 -0.23 0.06 0.00 0.00 0.00 0.00 61.98 62.31 1v27 s VAL 82 Cb -0.28 -0.88 -0.04 0.00 0.00 0.00 0.00 36.38 35.19 1v27 s VAL 82 CO 0.35 0.19 0.17 -1.00 0.00 0.00 0.00 175.10 174.81 1v27 s HIS 83 N 1.83 3.15 0.35 5.22 3.76 -1.26 -4.17 115.29 124.17 1v27 s HIS 83 Ca 0.03 -0.05 0.14 0.00 -0.15 0.00 0.00 55.06 55.03 1v27 s HIS 83 Cb -0.14 -1.47 0.77 0.00 1.11 0.00 0.00 32.58 32.85 1v27 s HIS 83 CO -0.07 0.52 1.83 -0.09 -0.85 0.00 0.00 174.74 176.08 1v27 h ARG 84 N 1.96 0.00 0.00 1.40 9.65 -2.00 -1.34 114.38 124.04 1v27 h ARG 84 Ca -0.48 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.40 1v27 h ARG 84 Cb 1.22 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.80 1v27 h ARG 84 CO 0.62 0.36 0.00 2.89 2.80 0.00 0.00 179.97 186.64 1v27 n ARG 85 N -3.99 0.36 -0.00 0.20 -4.01 -1.26 -2.58 116.66 105.38 1v27 n ARG 85 Ca -0.02 0.02 0.10 0.00 -1.04 0.00 0.00 57.85 56.91 1v27 n ARG 85 Cb 0.41 -1.50 -0.13 0.00 -3.04 0.00 0.00 32.46 28.20 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 -1.31 0.16 0.10 2.89 -0.58 -0.52 -4.43 120.64 116.95 1v27 n GLU 86 Ca 0.13 -0.05 -0.12 0.00 -0.42 0.00 0.00 57.16 56.70 1v27 n GLU 86 Cb 0.24 -1.51 -0.05 0.00 -0.57 0.00 0.00 31.44 29.55 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 -0.62 0.00 -0.32 -1.00 -1.28 1.29 116.94 115.01 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 0.62 0.26 0.00 0.00 3.61 0.00 0.00 35.95 40.44 1v27 h PHE 87 CO 0.00 -0.33 0.00 2.89 -1.61 0.00 0.00 178.31 179.26 1v27 n ARG 88 N -5.36 0.05 0.00 1.51 1.85 -1.26 -0.36 116.66 113.09 1v27 n ARG 88 Ca -0.06 0.45 0.06 0.00 -1.00 0.00 0.00 57.85 57.29 1v27 n ARG 88 Cb 0.27 -1.63 0.03 0.00 -1.05 0.00 0.00 32.46 30.08 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 -1.73 1.09 -3.68 2.89 1.02 0.37 -4.93 120.64 115.67 1v27 n GLU 89 Ca 0.01 -0.99 -0.15 0.00 -0.02 0.00 0.00 57.16 56.01 1v27 n GLU 89 Cb 0.08 -1.18 -0.14 0.00 -0.02 0.00 0.00 31.44 30.18 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 -1.12 0.09 0.08 3.49 3.00 0.42 -4.36 118.95 120.55 1v27 s ARG 90 Ca 0.12 0.60 0.07 0.00 0.00 0.00 0.00 55.73 56.52 1v27 s ARG 90 Cb 0.09 -0.17 -0.03 0.00 0.00 0.00 0.00 34.95 34.84 1v27 s ARG 90 CO 0.19 -0.27 -0.19 1.41 0.00 0.00 0.00 175.30 176.44 1v27 s MET 91 N 2.11 1.09 0.06 3.54 -2.45 -0.98 -4.00 119.30 118.67 1v27 s MET 91 Ca -0.00 -1.06 -0.11 0.00 -1.25 0.00 0.00 55.69 53.26 1v27 s MET 91 Cb -0.12 -1.27 -0.06 0.00 1.25 0.00 0.00 34.83 34.64 1v27 s MET 91 CO -0.07 0.30 0.41 -0.51 1.05 0.00 0.00 175.02 176.20 1v27 s LEU 92 N -1.72 4.38 -0.34 4.11 2.01 -0.66 -1.78 118.68 124.68 1v27 s LEU 92 Ca 0.05 0.85 0.00 0.00 0.01 0.00 0.00 54.13 55.04 1v27 s LEU 92 Cb -0.10 -2.88 0.11 0.00 0.01 0.00 0.00 46.19 43.33 1v27 s LEU 92 CO 0.03 0.21 0.13 -0.70 1.01 0.00 0.00 176.35 177.03 1v27 s GLU 93 N -1.68 0.87 -0.16 1.70 2.12 -1.12 -1.92 118.70 118.50 1v27 s GLU 93 Ca 0.31 -1.32 -0.13 0.00 0.36 0.00 0.00 54.97 54.20 1v27 s GLU 93 Cb -0.15 -2.11 -0.05 0.00 0.26 0.00 0.00 34.13 32.09 1v27 s GLU 93 CO 0.17 -1.03 0.25 0.42 -0.54 0.00 0.00 175.26 174.53 1v27 s ILE 94 N 1.31 5.33 0.07 -3.70 1.09 0.39 -3.05 121.20 122.64 1v27 s ILE 94 Ca 0.12 0.45 0.06 0.00 -1.10 0.00 0.00 60.65 60.18 1v27 s ILE 94 Cb -0.19 -3.58 -0.03 0.00 -1.06 0.00 0.00 42.46 37.60 1v27 s ILE 94 CO -0.18 0.42 -0.15 0.42 -0.10 0.00 0.00 174.94 175.35 1v27 s THR 95 N 0.30 1.20 -0.05 2.92 -4.23 -0.95 0.18 115.64 115.01 1v27 s THR 95 Ca 0.15 -1.27 0.04 0.00 -1.18 0.00 0.00 61.69 59.43 1v27 s THR 95 Cb -0.13 -1.13 -0.02 0.00 1.34 0.00 0.00 72.50 72.56 1v27 s THR 95 CO 0.03 -0.14 -0.17 -0.22 -0.54 0.00 0.00 174.62 173.58 1v27 s LEU 96 N -1.62 2.58 0.29 4.79 2.96 -0.05 -1.29 118.68 126.35 1v27 s LEU 96 Ca 0.00 -0.27 0.04 0.00 -0.22 0.00 0.00 54.13 53.68 1v27 s LEU 96 Cb -0.09 -1.51 -0.03 0.00 0.50 0.00 0.00 46.19 45.05 1v27 s LEU 96 CO 0.02 0.32 0.25 0.26 -1.32 0.00 0.00 176.35 175.88 1v27 s TRP 97 N -0.59 1.51 -0.32 5.38 0.52 -1.04 -1.64 118.94 122.76 1v27 s TRP 97 Ca 0.08 -1.54 -0.00 0.00 0.02 0.00 0.00 56.10 54.66 1v27 s TRP 97 Cb -0.11 -0.61 0.10 0.00 -1.15 0.00 0.00 33.47 31.70 1v27 s TRP 97 CO 0.01 -0.82 0.11 0.34 0.02 0.00 0.00 176.95 176.60 1v27 s ASP 98 N -3.29 4.06 -0.82 2.95 2.15 -1.07 -2.24 116.67 118.41 1v27 s ASP 98 Ca 0.39 -1.78 -0.22 0.00 0.43 0.00 0.00 52.55 51.37 1v27 s ASP 98 Cb 0.03 -0.95 -0.19 0.00 -0.30 0.00 0.00 42.92 41.51 1v27 s ASP 98 CO 0.22 -0.40 2.40 1.67 -0.17 0.00 0.00 175.17 178.90 1v27 n GLN 99 N 4.68 0.40 -0.01 4.34 7.27 0.14 -3.82 117.38 130.38 1v27 n GLN 99 Ca -0.00 -0.27 -0.00 0.00 0.07 0.00 0.00 57.00 56.80 1v27 n GLN 99 Cb 0.41 -2.48 -0.00 0.00 2.41 0.00 0.00 30.24 30.58 1v27 n GLN 99 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1v27 h ALA 100 N 13.66 0.00 0.00 1.69 0.00 -1.86 -3.38 119.26 129.37 1v27 h ALA 100 Ca -0.05 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1v27 h ALA 100 Cb 1.16 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.96 1v27 h ALA 100 CO 1.28 0.01 -0.05 0.54 0.00 0.00 0.00 179.25 181.03 1v27 n ARG 101 N -2.39 0.04 0.00 0.00 5.12 -1.22 -5.07 116.66 113.14 1v27 n ARG 101 Ca -0.00 0.18 0.00 0.00 -1.93 0.00 0.00 57.85 56.10 1v27 n ARG 101 Cb 0.01 -0.73 0.00 0.00 -1.16 0.00 0.00 32.46 30.57 1v27 n ARG 101 CO 0.00 0.00 0.00 1.55 -1.93 0.00 0.00 177.63 177.25 1v27 n VAL 102 N -2.52 0.00 -1.76 1.55 3.14 -1.26 -5.09 118.33 112.39 1v27 n VAL 102 Ca -0.01 0.00 0.18 0.00 -2.96 0.00 0.00 64.34 61.55 1v27 n VAL 102 Cb 0.03 0.00 -0.05 0.00 -1.06 0.00 0.00 33.84 32.76 1v27 n VAL 102 CO 0.00 0.00 0.00 0.54 -6.46 0.00 0.00 176.83 170.91 1v27 n ARG 103 N -0.19 -2.70 -1.94 1.45 1.74 -1.26 -3.92 116.66 109.85 1v27 n ARG 103 Ca 0.00 1.78 -0.39 0.00 -0.77 0.00 0.00 57.85 58.47 1v27 n ARG 103 Cb 0.00 -3.29 -0.01 0.00 -1.02 0.00 0.00 32.46 28.14 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 -4.09 4.38 0.02 5.56 0.00 -1.26 -4.33 120.64 120.92 1v27 n GLU 104 Ca 0.01 -3.34 0.00 0.00 0.00 0.00 0.00 57.16 53.83 1v27 n GLU 104 Cb 0.61 -2.58 0.00 0.00 0.00 0.00 0.00 31.44 29.47 1v27 n GLU 104 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 1v27 n GLU 105 N 1.65 0.00 -1.77 5.31 1.02 -1.25 -4.85 120.64 120.75 1v27 n GLU 105 Ca 0.61 0.00 -0.38 0.00 -0.02 0.00 0.00 57.16 57.38 1v27 n GLU 105 Cb 0.28 -0.10 0.04 0.00 -0.02 0.00 0.00 31.44 31.64 1v27 n GLU 105 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1v27 n GLU 106 N -2.74 2.69 -4.20 3.49 1.02 -1.26 -4.95 120.64 114.69 1v27 n GLU 106 Ca 0.00 -3.34 -0.27 0.00 -0.02 0.00 0.00 57.16 53.53 1v27 n GLU 106 Cb 0.00 -2.25 -0.08 0.00 -0.02 0.00 0.00 31.44 29.09 1v27 n GLU 106 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 1v27 s SER 107 N -1.03 4.77 -0.21 1.62 0.01 -1.26 -3.41 113.70 114.20 1v27 s SER 107 Ca 0.54 -0.37 -0.08 0.00 1.31 0.00 0.00 55.95 57.35 1v27 s SER 107 Cb 0.44 -1.02 -0.04 0.00 0.21 0.00 0.00 66.02 65.61 1v27 s SER 107 CO -0.33 0.11 0.08 -0.70 0.41 0.00 0.00 173.24 172.80 1v27 s GLU 108 N -2.81 3.92 -0.30 12.44 2.12 -1.25 -4.64 118.70 128.18 1v27 s GLU 108 Ca 0.27 -0.36 -0.29 0.00 0.36 0.00 0.00 54.97 54.95 1v27 s GLU 108 Cb -0.10 -3.29 -0.01 0.00 0.26 0.00 0.00 34.13 30.99 1v27 s GLU 108 CO 0.18 0.14 1.53 0.12 -0.54 0.00 0.00 175.26 176.69 1v27 s PHE 109 N 0.75 2.24 -0.03 5.30 5.36 -1.26 -2.60 117.98 127.75 1v27 s PHE 109 Ca 0.04 0.66 0.11 0.00 -0.96 0.00 0.00 56.93 56.78 1v27 s PHE 109 Cb -0.13 -4.07 -0.07 0.00 -0.34 0.00 0.00 43.02 38.40 1v27 s PHE 109 CO 0.02 -2.45 1.36 -0.07 -1.46 0.00 0.00 175.22 172.61 1v27 h LEU 110 N 11.99 0.00 0.00 6.12 3.38 -1.64 -3.46 115.31 131.71 1v27 h LEU 110 Ca -0.31 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.66 1v27 h LEU 110 Cb 1.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.88 1v27 h LEU 110 CO 1.03 0.74 0.00 0.61 0.09 0.00 0.00 178.44 180.91 1v27 n GLY 111 N 1.29 2.32 3.00 0.83 0.00 -1.14 -4.40 105.19 107.09 1v27 n GLY 111 Ca 0.01 -1.30 -0.20 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 -1.99 0.92 -0.18 1.61 -1.05 -0.96 -0.87 118.70 116.18 1v27 s GLU 112 Ca 0.00 -0.30 0.00 0.00 -0.15 0.00 0.00 54.97 54.52 1v27 s GLU 112 Cb 0.00 -0.86 0.01 0.00 -0.44 0.00 0.00 34.13 32.84 1v27 s GLU 112 CO 0.00 0.12 -0.16 0.42 0.95 0.00 0.00 175.26 176.59 1v27 s ILE 113 N 0.14 2.47 -0.12 1.83 1.01 0.47 -2.56 121.20 124.44 1v27 s ILE 113 Ca -0.02 -0.81 -0.03 0.00 0.00 0.00 0.00 60.65 59.78 1v27 s ILE 113 Cb -0.08 -2.05 -0.03 0.00 0.01 0.00 0.00 42.46 40.31 1v27 s ILE 113 CO 0.00 0.51 -0.00 -0.76 0.00 0.00 0.00 174.94 174.69 1v27 s LEU 114 N 1.15 3.50 -0.10 2.97 2.01 -1.26 -0.46 118.68 126.49 1v27 s LEU 114 Ca 0.01 0.05 -0.02 0.00 0.01 0.00 0.00 54.13 54.19 1v27 s LEU 114 Cb -0.14 -1.82 0.03 0.00 0.01 0.00 0.00 46.19 44.27 1v27 s LEU 114 CO -0.07 0.29 0.00 -0.63 1.01 0.00 0.00 176.35 176.96 1v27 s ILE 115 N -0.35 0.43 -0.38 -0.59 1.01 -0.81 -5.01 121.20 115.50 1v27 s ILE 115 Ca 0.07 -0.03 -0.22 0.00 0.00 0.00 0.00 60.65 60.47 1v27 s ILE 115 Cb -0.12 -0.65 0.01 0.00 0.01 0.00 0.00 42.46 41.70 1v27 s ILE 115 CO 0.02 0.18 0.75 -1.61 0.00 0.00 0.00 174.94 174.27 1v27 s GLU 116 N 1.94 3.66 0.55 2.79 2.02 -1.26 -1.65 118.70 126.75 1v27 s GLU 116 Ca 0.04 0.16 0.31 0.00 0.02 0.00 0.00 54.97 55.50 1v27 s GLU 116 Cb -0.13 -3.83 1.48 0.00 0.10 0.00 0.00 34.13 31.74 1v27 s GLU 116 CO -0.06 -0.87 1.87 -0.07 0.02 0.00 0.00 175.26 176.15 1v27 h LEU 117 N 9.72 0.00 -0.15 1.80 3.38 -1.77 1.34 115.31 129.63 1v27 h LEU 117 Ca -0.25 0.00 0.05 0.00 0.09 0.00 0.00 57.88 57.77 1v27 h LEU 117 Cb 1.10 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.79 1v27 h LEU 117 CO 0.90 0.00 -0.19 -0.08 0.09 0.00 0.00 178.44 179.17 1v27 h GLU 118 N 0.00 -0.22 -0.12 1.13 4.81 -1.82 -2.85 114.58 115.51 1v27 h GLU 118 Ca 0.40 0.01 -0.05 0.00 -0.13 0.00 0.00 59.36 59.60 1v27 h GLU 118 Cb 1.68 0.05 -0.03 0.00 0.63 0.00 0.00 28.75 31.08 1v27 h GLU 118 CO -0.00 -0.14 -0.21 0.25 -0.73 0.00 0.00 179.01 178.18 1v27 n THR 119 N -5.33 2.22 -2.09 0.32 -2.24 0.23 -4.97 114.28 102.42 1v27 n THR 119 Ca -0.02 -2.71 -0.36 0.00 -2.27 0.00 0.00 64.05 58.69 1v27 n THR 119 Cb 0.24 -0.26 0.02 0.00 -2.10 0.00 0.00 70.33 68.24 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 -3.10 2.61 -0.93 6.98 0.00 0.43 -4.88 121.76 122.86 1v27 s ALA 120 Ca 0.39 0.97 -0.20 0.00 0.00 0.00 0.00 51.96 53.11 1v27 s ALA 120 Cb 0.35 -3.43 0.11 0.00 0.00 0.00 0.00 23.12 20.15 1v27 s ALA 120 CO -0.01 -1.04 1.20 -0.51 0.00 0.00 0.00 175.76 175.40 1v27 s LEU 121 N -3.95 4.60 -0.40 0.00 1.43 -1.26 -4.96 118.68 114.14 1v27 s LEU 121 Ca 0.76 -1.81 -0.09 0.00 -1.03 0.00 0.00 54.13 51.95 1v27 s LEU 121 Cb -0.29 -2.45 0.06 0.00 0.03 0.00 0.00 46.19 43.55 1v27 s LEU 121 CO 0.32 -1.21 0.23 -0.76 0.23 0.00 0.00 176.35 175.15 1v27 s LEU 122 N 3.39 4.93 -0.07 1.79 1.43 -1.26 -4.38 118.68 124.50 1v27 s LEU 122 Ca 0.35 -1.32 0.03 0.00 -1.03 0.00 0.00 54.13 52.16 1v27 s LEU 122 Cb -0.04 -1.98 0.08 0.00 0.03 0.00 0.00 46.19 44.28 1v27 s LEU 122 CO -0.08 -0.47 0.66 -0.67 0.23 0.00 0.00 176.35 176.02 1v27 n ASP 123 N 4.93 -0.51 -1.87 2.29 -0.08 -1.21 -4.82 116.55 115.28 1v27 n ASP 123 Ca -0.11 -1.15 -0.09 0.00 -1.51 0.00 0.00 54.79 51.93 1v27 n ASP 123 Cb 0.44 0.20 -0.02 0.00 2.34 0.00 0.00 41.12 44.08 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 -0.31 -2.81 -4.16 1.67 2.03 -1.18 -4.88 116.55 106.91 1v27 n ASP 124 Ca -0.10 0.25 -0.35 0.00 0.52 0.00 0.00 54.79 55.12 1v27 n ASP 124 Cb 0.54 -2.59 -0.14 0.00 -0.72 0.00 0.00 41.12 38.22 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 -3.92 2.34 0.07 -0.67 2.02 -1.26 -4.99 118.70 112.29 1v27 s GLU 125 Ca 0.00 -1.35 -0.30 0.00 0.02 0.00 0.00 54.97 53.34 1v27 s GLU 125 Cb 0.00 -3.21 -0.06 0.00 0.10 0.00 0.00 34.13 30.96 1v27 s GLU 125 CO 0.00 -0.68 1.16 -1.25 0.02 0.00 0.00 175.26 174.51 1v27 s PRO 126 N 1.22 4.47 0.03 0.39 0.04 -1.26 -4.64 135.00 135.25 1v27 s PRO 126 Ca -0.03 1.73 0.07 0.00 0.04 0.00 0.00 61.00 62.80 1v27 s PRO 126 Cb -0.20 -3.35 -0.02 0.00 0.04 0.00 0.00 34.50 30.97 1v27 s PRO 126 CO -0.02 -0.18 -0.19 -1.01 0.04 0.00 0.00 177.00 175.64 1v27 s HIS 127 N 0.83 1.69 -0.10 0.56 3.76 -1.06 -4.95 115.29 116.02 1v27 s HIS 127 Ca 0.56 -0.36 -0.30 0.00 -0.15 0.00 0.00 55.06 54.82 1v27 s HIS 127 Cb -0.29 -1.02 -0.02 0.00 1.11 0.00 0.00 32.58 32.37 1v27 s HIS 127 CO 0.30 0.06 1.07 -1.58 -0.85 0.00 0.00 174.74 173.74 1v27 s TRP 128 N -0.74 3.41 -0.14 1.40 0.52 -1.26 -3.48 118.94 118.64 1v27 s TRP 128 Ca 0.06 1.48 -0.02 0.00 0.02 0.00 0.00 56.10 57.64 1v27 s TRP 128 Cb -0.08 -3.26 -0.02 0.00 -1.15 0.00 0.00 33.47 28.96 1v27 s TRP 128 CO 0.01 -0.56 -0.09 0.71 0.02 0.00 0.00 176.95 177.04 1v27 s TYR 129 N 2.15 2.90 0.76 -1.98 2.02 0.36 -4.89 117.35 118.67 1v27 s TYR 129 Ca 0.50 -0.50 -0.13 0.00 -0.37 0.00 0.00 57.07 56.57 1v27 s TYR 129 Cb -0.20 -1.89 0.06 0.00 -0.40 0.00 0.00 41.96 39.53 1v27 s TYR 129 CO 0.18 -0.14 1.14 0.15 -1.57 0.00 0.00 175.55 175.31 1v27 s LYS 130 N 0.35 2.11 0.43 -0.62 1.02 -1.26 0.24 119.74 122.01 1v27 s LYS 130 Ca -0.08 1.45 0.03 0.00 0.02 0.00 0.00 55.97 57.39 1v27 s LYS 130 Cb -0.15 -1.86 0.00 0.00 -0.52 0.00 0.00 37.83 35.30 1v27 s LYS 130 CO 0.05 -1.79 0.61 -0.51 -0.92 0.00 0.00 175.35 172.79 1v27 s LEU 131 N -5.61 3.69 -0.20 3.17 2.01 -0.38 -4.76 118.68 116.62 1v27 s LEU 131 Ca 0.67 0.03 -0.00 0.00 0.01 0.00 0.00 54.13 54.84 1v27 s LEU 131 Cb -0.22 -2.95 0.05 0.00 0.01 0.00 0.00 46.19 43.09 1v27 s LEU 131 CO 0.50 -0.69 -0.04 -1.10 1.01 0.00 0.00 176.35 176.03 1v27 s GLN 132 N -4.45 1.39 0.00 1.70 -1.52 -1.06 -4.66 119.66 111.06 1v27 s GLN 132 Ca 0.49 -0.68 0.15 0.00 -1.95 0.00 0.00 55.36 53.36 1v27 s GLN 132 Cb -0.10 -2.25 0.18 0.00 -0.22 0.00 0.00 33.01 30.61 1v27 s GLN 132 CO 0.35 -0.53 1.04 0.25 -0.25 0.00 0.00 175.29 176.16 1v27 n THR 133 N 4.82 0.20 -3.50 -0.19 -2.24 -1.26 -2.26 114.28 109.86 1v27 n THR 133 Ca -0.12 -0.60 -0.09 0.00 -2.27 0.00 0.00 64.05 60.97 1v27 n THR 133 Cb 0.46 1.14 -0.02 0.00 -2.10 0.00 0.00 70.33 69.81 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 -1.18 -0.37 0.06 4.78 3.76 -1.26 -5.03 115.29 116.05 1v27 s HIS 134 Ca 0.20 0.26 0.03 0.00 -0.15 0.00 0.00 55.06 55.40 1v27 s HIS 134 Cb 0.13 0.53 -0.03 0.00 1.11 0.00 0.00 32.58 34.33 1v27 s HIS 134 CO 0.19 -0.57 -0.10 0.16 -0.85 0.00 0.00 174.74 173.57 1v27 s ASP 135 N -2.42 1.19 -0.11 1.40 -4.77 -1.26 -5.15 116.67 105.56 1v27 s ASP 135 Ca 0.04 -0.63 0.03 0.00 -3.30 0.00 0.00 52.55 48.69 1v27 s ASP 135 Cb -0.01 0.01 0.00 0.00 -1.09 0.00 0.00 42.92 41.84 1v27 s ASP 135 CO -0.09 -0.19 -0.22 -0.44 0.70 0.00 0.00 175.17 174.93 1v27 s SER 136 N -1.84 2.96 0.29 2.11 0.01 -1.26 -5.06 113.70 110.92 1v27 s SER 136 Ca -0.04 -0.54 0.00 0.00 1.31 0.00 0.00 55.95 56.67 1v27 s SER 136 Cb -0.08 -1.36 0.00 0.00 0.21 0.00 0.00 66.02 64.79 1v27 s SER 136 CO 0.01 0.12 0.00 0.61 0.41 0.00 0.00 173.24 174.39 1v27 n GLY 137 N 3.72 -1.60 3.80 3.44 0.00 -1.26 -4.83 105.19 108.47 1v27 n GLY 137 Ca -0.20 -0.79 -0.30 0.00 0.00 0.00 0.00 46.02 44.74 1v27 n GLY 137 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1v27 s PRO 138 N -2.52 1.85 -0.46 1.61 0.04 -1.26 -5.06 135.00 129.20 1v27 s PRO 138 Ca 0.00 0.55 0.03 0.00 0.04 0.00 0.00 61.00 61.62 1v27 s PRO 138 Cb 0.00 -1.90 0.20 0.00 0.04 0.00 0.00 34.50 32.84 1v27 s PRO 138 CO 0.00 -1.76 0.83 0.45 0.04 0.00 0.00 177.00 176.56 1v27 s SER 139 N -3.94 -1.11 -0.31 6.66 0.15 -1.26 -5.04 113.70 108.85 1v27 s SER 139 Ca 0.61 -1.26 -0.18 0.00 0.70 0.00 0.00 55.95 55.83 1v27 s SER 139 Cb -0.14 1.45 0.03 0.00 -1.71 0.00 0.00 66.02 65.64 1v27 s SER 139 CO 0.54 -0.05 0.37 -0.24 1.20 0.00 0.00 173.24 175.06 1v27 n SER 140 N 2.95 -6.76 0.00 5.45 2.88 -1.26 -5.24 113.62 111.64 1v27 n SER 140 Ca 0.16 0.41 0.00 0.00 -1.33 0.00 0.00 58.87 58.11 1v27 n SER 140 Cb 0.59 -3.10 0.00 0.00 -0.75 0.00 0.00 64.21 60.94 1v27 n SER 140 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42