#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 -8.12 -3.64 1.61 7.64 -1.26 -5.08 113.62 104.77 1v27 n SER 2 Ca 0.00 1.18 -0.14 0.00 1.01 0.00 0.00 58.87 60.93 1v27 n SER 2 Cb 0.00 -4.43 -0.06 0.00 -1.01 0.00 0.00 64.21 58.70 1v27 n SER 2 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1v27 s SER 3 N -0.82 -0.34 0.00 6.43 0.15 -1.26 -5.11 113.70 112.75 1v27 s SER 3 Ca 0.00 0.11 0.00 0.00 0.70 0.00 0.00 55.95 56.76 1v27 s SER 3 Cb 0.00 0.44 0.00 0.00 -1.71 0.00 0.00 66.02 64.75 1v27 s SER 3 CO 0.00 -0.65 0.00 0.61 1.20 0.00 0.00 173.24 174.40 1v27 n GLY 4 N 0.60 3.06 3.62 9.45 0.00 -1.26 -5.17 105.19 115.49 1v27 n GLY 4 Ca -0.19 -1.08 -0.09 0.00 0.00 0.00 0.00 46.02 44.66 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 0.00 -0.37 -0.14 1.61 0.15 -1.26 -5.07 113.70 108.62 1v27 s SER 5 Ca 0.00 0.61 -0.12 0.00 0.70 0.00 0.00 55.95 57.14 1v27 s SER 5 Cb 0.00 0.59 -0.04 0.00 -1.71 0.00 0.00 66.02 64.86 1v27 s SER 5 CO 0.00 -0.19 -0.23 -0.24 1.20 0.00 0.00 173.24 173.78 1v27 n SER 6 N 1.63 1.65 0.00 5.45 2.88 -1.26 -4.79 113.62 119.18 1v27 n SER 6 Ca -0.11 0.44 0.00 0.00 -1.33 0.00 0.00 58.87 57.87 1v27 n SER 6 Cb 0.57 -0.77 0.00 0.00 -0.75 0.00 0.00 64.21 63.26 1v27 n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1v27 n GLY 7 N 1.55 1.30 0.00 0.46 0.00 -1.26 -4.69 105.19 102.55 1v27 n GLY 7 Ca -0.09 -1.70 0.00 0.00 0.00 0.00 0.00 46.02 44.23 1v27 n GLY 7 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1v27 n GLY 8 N 1.34 1.66 2.89 -0.02 0.00 -1.25 -4.84 105.19 104.97 1v27 n GLY 8 Ca 0.00 -0.07 -0.12 0.00 0.00 0.00 0.00 46.02 45.82 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 4.05 0.03 0.18 1.61 -0.21 -1.12 -2.77 119.66 121.43 1v27 s GLN 9 Ca 0.00 0.06 0.11 0.00 0.02 0.00 0.00 55.36 55.55 1v27 s GLN 9 Cb 0.00 -0.01 -0.04 0.00 1.00 0.00 0.00 33.01 33.96 1v27 s GLN 9 CO 0.00 -0.02 -0.20 -1.17 -2.12 0.00 0.00 175.29 171.78 1v27 s LEU 10 N 0.13 2.58 -0.33 2.90 2.96 -1.06 -1.18 118.68 124.68 1v27 s LEU 10 Ca -0.01 -0.77 -0.05 0.00 -0.22 0.00 0.00 54.13 53.09 1v27 s LEU 10 Cb -0.02 -1.32 0.05 0.00 0.50 0.00 0.00 46.19 45.40 1v27 s LEU 10 CO -0.00 0.12 0.08 -0.44 -1.32 0.00 0.00 176.35 174.79 1v27 s SER 11 N -2.63 5.17 -0.16 3.68 0.01 0.79 -1.12 113.70 119.43 1v27 s SER 11 Ca 0.21 -1.24 0.01 0.00 1.31 0.00 0.00 55.95 56.24 1v27 s SER 11 Cb -0.08 -1.81 0.02 0.00 0.21 0.00 0.00 66.02 64.35 1v27 s SER 11 CO 0.11 -0.32 -0.20 -0.63 0.41 0.00 0.00 173.24 172.61 1v27 s ILE 12 N 1.34 2.03 -0.34 1.44 1.01 -1.17 -1.31 121.20 124.19 1v27 s ILE 12 Ca -0.02 -0.93 -0.13 0.00 0.00 0.00 0.00 60.65 59.56 1v27 s ILE 12 Cb -0.20 -1.82 -0.01 0.00 0.01 0.00 0.00 42.46 40.44 1v27 s ILE 12 CO 0.01 0.54 0.24 -0.75 0.00 0.00 0.00 174.94 174.98 1v27 s LYS 13 N 1.13 3.45 0.11 2.79 2.20 0.71 -3.95 119.74 126.19 1v27 s LYS 13 Ca 0.01 -0.67 0.05 0.00 -0.36 0.00 0.00 55.97 54.99 1v27 s LYS 13 Cb -0.14 -3.82 -0.04 0.00 -1.51 0.00 0.00 37.83 32.33 1v27 s LYS 13 CO -0.09 -0.47 0.06 -0.51 -0.36 0.00 0.00 175.35 173.98 1v27 s LEU 14 N 1.72 3.63 -0.00 5.43 1.43 -1.26 0.15 118.68 129.78 1v27 s LEU 14 Ca 0.06 -0.13 -0.27 0.00 -1.03 0.00 0.00 54.13 52.75 1v27 s LEU 14 Cb -0.18 -2.31 0.06 0.00 0.03 0.00 0.00 46.19 43.79 1v27 s LEU 14 CO 0.10 0.14 0.61 0.86 0.23 0.00 0.00 176.35 178.30 1v27 s TRP 15 N -1.48 -0.56 -0.11 0.29 -0.11 0.32 -2.15 118.94 115.13 1v27 s TRP 15 Ca 0.28 0.84 0.01 0.00 1.22 0.00 0.00 56.10 58.45 1v27 s TRP 15 Cb -0.11 0.39 -0.02 0.00 -1.50 0.00 0.00 33.47 32.23 1v27 s TRP 15 CO 0.21 -0.63 -0.14 0.12 -4.62 0.00 0.00 176.95 171.89 1v27 s PHE 16 N -1.77 2.78 -0.60 5.86 5.36 -1.26 0.19 117.98 128.54 1v27 s PHE 16 Ca -0.09 -0.57 -0.07 0.00 -0.96 0.00 0.00 56.93 55.24 1v27 s PHE 16 Cb -0.01 -1.80 0.16 0.00 -0.34 0.00 0.00 43.02 41.03 1v27 s PHE 16 CO 0.04 -0.15 0.45 0.34 -1.46 0.00 0.00 175.22 174.45 1v27 s ASP 17 N 0.15 5.65 0.52 6.13 -1.08 0.29 -4.89 116.67 123.45 1v27 s ASP 17 Ca -0.07 -2.48 0.30 0.00 -0.52 0.00 0.00 52.55 49.78 1v27 s ASP 17 Cb -0.15 -1.96 1.30 0.00 -1.46 0.00 0.00 42.92 40.65 1v27 s ASP 17 CO 0.05 -0.51 1.97 0.07 0.52 0.00 0.00 175.17 177.27 1v27 h LYS 18 N 7.66 0.00 0.02 4.34 -0.00 -1.93 1.01 116.57 127.68 1v27 h LYS 18 Ca -0.06 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.59 1v27 h LYS 18 Cb 1.01 0.00 -0.00 0.00 -0.00 0.00 0.00 32.23 33.24 1v27 h LYS 18 CO 0.76 0.09 -0.06 0.28 -0.00 0.00 0.00 179.45 180.52 1v27 h VAL 19 N 0.00 0.00 -0.37 0.07 2.07 -1.95 -3.15 116.25 112.93 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 0.53 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.30 1v27 h VAL 19 CO 0.01 0.00 0.00 0.61 0.02 0.00 0.00 177.57 178.21 1v27 n GLY 20 N -1.06 1.69 2.99 2.17 0.00 -1.22 -4.98 105.19 104.78 1v27 n GLY 20 Ca -0.01 -0.68 -0.07 0.00 0.00 0.00 0.00 46.02 45.26 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 1.36 -2.43 -4.19 1.61 -0.00 0.31 -4.70 115.22 107.17 1v27 n HIS 21 Ca 0.18 0.89 -0.17 0.00 -0.00 0.00 0.00 57.72 58.61 1v27 n HIS 21 Cb 0.57 -3.91 -0.12 0.00 -0.00 0.00 0.00 29.99 26.53 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 -3.66 0.75 -0.28 -0.41 -0.21 0.94 0.20 119.66 116.99 1v27 s GLN 22 Ca 0.22 -0.80 -0.12 0.00 0.02 0.00 0.00 55.36 54.68 1v27 s GLN 22 Cb -0.03 -0.70 -0.05 0.00 1.00 0.00 0.00 33.01 33.24 1v27 s GLN 22 CO 0.67 0.16 0.24 -1.17 -2.12 0.00 0.00 175.29 173.06 1v27 s LEU 23 N -1.42 4.04 -0.14 2.90 2.96 0.35 0.10 118.68 127.47 1v27 s LEU 23 Ca -0.03 0.05 -0.15 0.00 -0.22 0.00 0.00 54.13 53.78 1v27 s LEU 23 Cb -0.09 -2.20 -0.05 0.00 0.50 0.00 0.00 46.19 44.36 1v27 s LEU 23 CO 0.01 -0.09 0.35 -0.63 -1.32 0.00 0.00 176.35 174.68 1v27 s ILE 24 N 1.84 5.26 -0.28 6.68 1.09 0.51 0.30 121.20 136.60 1v27 s ILE 24 Ca 0.09 0.69 -0.03 0.00 -1.10 0.00 0.00 60.65 60.29 1v27 s ILE 24 Cb -0.16 -3.69 0.10 0.00 -1.06 0.00 0.00 42.46 37.65 1v27 s ILE 24 CO 0.11 0.38 0.16 0.54 -0.10 0.00 0.00 174.94 176.03 1v27 s VAL 25 N 0.45 -0.15 -0.26 2.92 0.11 0.06 0.12 120.40 123.65 1v27 s VAL 25 Ca 0.20 -0.63 -0.14 0.00 -2.93 0.00 0.00 61.98 58.47 1v27 s VAL 25 Cb -0.14 -0.94 -0.04 0.00 -1.53 0.00 0.00 36.38 33.74 1v27 s VAL 25 CO 0.06 -0.62 0.33 -0.89 -3.33 0.00 0.00 175.10 170.66 1v27 s THR 26 N 2.16 5.21 -0.99 5.04 2.01 0.39 -2.33 115.64 127.14 1v27 s THR 26 Ca 0.08 0.50 -0.20 0.00 0.31 0.00 0.00 61.69 62.39 1v27 s THR 26 Cb -0.16 -3.66 0.10 0.00 0.01 0.00 0.00 72.50 68.79 1v27 s THR 26 CO -0.33 0.20 1.29 -0.63 -0.69 0.00 0.00 174.62 174.46 1v27 s ILE 27 N 1.83 4.38 0.00 1.82 -1.09 -1.13 -0.21 121.20 126.81 1v27 s ILE 27 Ca 0.14 -1.28 0.00 0.00 -2.23 0.00 0.00 60.65 57.28 1v27 s ILE 27 Cb -0.15 -4.91 0.00 0.00 -1.58 0.00 0.00 42.46 35.81 1v27 s ILE 27 CO 0.09 -1.71 0.00 0.18 -1.23 0.00 0.00 174.94 172.28 1v27 n LEU 28 N 7.55 0.00 -3.85 2.97 4.77 -0.43 0.87 117.00 128.88 1v27 n LEU 28 Ca 0.29 0.00 -0.08 0.00 -0.03 0.00 0.00 56.01 56.19 1v27 n LEU 28 Cb 0.50 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.58 1v27 n LEU 28 CO 0.58 0.00 0.48 -0.83 -1.33 0.00 0.00 177.39 176.29 1v27 s GLY 29 N 0.00 0.05 0.43 -0.72 0.00 -1.20 0.51 107.32 106.38 1v27 s GLY 29 Ca 0.00 -0.44 0.07 0.00 0.00 0.00 0.00 44.72 44.35 1v27 s GLY 29 CO 0.00 -0.16 0.29 0.00 0.00 0.00 0.00 173.10 173.22 1v27 s ALA 30 N -3.48 3.87 0.28 3.20 0.00 -0.70 -0.15 121.76 124.77 1v27 s ALA 30 Ca 0.12 -1.94 -0.17 0.00 0.00 0.00 0.00 51.96 49.98 1v27 s ALA 30 Cb -0.06 -0.69 0.01 0.00 0.00 0.00 0.00 23.12 22.39 1v27 s ALA 30 CO 0.08 -0.21 0.64 -1.59 0.00 0.00 0.00 175.76 174.68 1v27 s LYS 31 N -4.04 1.76 -1.76 0.00 0.00 -0.33 -3.79 119.74 111.59 1v27 s LYS 31 Ca 0.44 -1.15 -0.15 0.00 0.00 0.00 0.00 55.97 55.11 1v27 s LYS 31 Cb 0.00 0.56 0.15 0.00 0.00 0.00 0.00 37.83 38.55 1v27 s LYS 31 CO 0.25 -0.78 0.38 -0.25 0.00 0.00 0.00 175.35 174.95 1v27 n ASP 32 N -0.55 -0.84 -4.78 0.03 8.00 -1.26 -2.79 116.55 114.36 1v27 n ASP 32 Ca -0.03 -1.25 -0.37 0.00 0.71 0.00 0.00 54.79 53.84 1v27 n ASP 32 Cb 0.60 -1.58 -0.05 0.00 -0.02 0.00 0.00 41.12 40.07 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 -7.26 4.26 -0.82 0.64 1.02 -1.26 -3.88 118.68 111.38 1v27 s LEU 33 Ca 0.54 2.00 -0.25 0.00 0.02 0.00 0.00 54.13 56.43 1v27 s LEU 33 Cb -0.31 -4.06 0.00 0.00 0.02 0.00 0.00 46.19 41.84 1v27 s LEU 33 CO 1.01 -0.31 1.63 -2.16 0.02 0.00 0.00 176.35 176.54 1v27 s PRO 34 N -2.22 3.00 0.00 1.29 0.04 -1.26 -4.97 135.00 130.87 1v27 s PRO 34 Ca 0.54 -0.26 0.00 0.00 0.04 0.00 0.00 61.00 61.31 1v27 s PRO 34 Cb -0.22 -4.74 0.00 0.00 0.04 0.00 0.00 34.50 29.58 1v27 s PRO 34 CO 0.28 -2.60 0.00 0.45 0.04 0.00 0.00 177.00 175.17 1v27 n SER 35 N 11.19 -1.33 -4.63 6.66 2.88 -1.26 -5.04 113.62 122.08 1v27 n SER 35 Ca 0.24 0.00 -0.29 0.00 -1.33 0.00 0.00 58.87 57.48 1v27 n SER 35 Cb 0.50 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.86 1v27 n SER 35 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 1v27 s ARG 36 N -2.00 2.03 0.92 -1.46 0.52 -1.26 -5.11 118.95 112.59 1v27 s ARG 36 Ca 0.00 -2.22 -0.14 0.00 -0.52 0.00 0.00 55.73 52.86 1v27 s ARG 36 Cb 0.00 -1.47 0.21 0.00 0.52 0.00 0.00 34.95 34.21 1v27 s ARG 36 CO 0.00 -0.21 0.48 0.39 0.02 0.00 0.00 175.30 175.98 1v27 n GLU 37 N -1.06 -2.55 0.00 3.54 1.02 -1.26 -3.39 120.64 116.94 1v27 n GLU 37 Ca -0.11 -0.81 0.00 0.00 -0.02 0.00 0.00 57.16 56.23 1v27 n GLU 37 Cb 0.67 -1.26 0.00 0.00 -0.02 0.00 0.00 31.44 30.83 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 -3.17 0.00 0.00 1.62 2.03 -1.26 -3.83 116.55 111.95 1v27 n ASP 38 Ca 0.08 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.39 1v27 n ASP 38 Cb 0.33 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.73 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 0.00 1.27 3.72 0.27 0.00 -1.22 -5.13 105.19 104.10 1v27 n GLY 39 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 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 0.00 1.98 0.00 1.61 3.00 -1.25 -4.87 118.95 119.42 1v27 s ARG 40 Ca 0.00 1.74 0.00 0.00 0.00 0.00 0.00 55.73 57.47 1v27 s ARG 40 Cb 0.00 -1.82 0.00 0.00 0.00 0.00 0.00 34.95 33.13 1v27 s ARG 40 CO 0.00 -1.95 0.00 -0.35 0.00 0.00 0.00 175.30 173.00 1v27 n PRO 41 N -2.94 0.62 -2.07 3.54 -0.04 -1.26 -4.18 135.00 128.67 1v27 n PRO 41 Ca 0.13 0.00 -0.03 0.00 -0.04 0.00 0.00 63.50 63.56 1v27 n PRO 41 Cb 0.50 0.00 -0.01 0.00 -0.04 0.00 0.00 33.50 33.96 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 -0.31 0.15 -3.77 0.54 1.85 -1.26 -4.84 116.66 109.02 1v27 n ARG 42 Ca 0.00 -0.60 -0.34 0.00 -1.00 0.00 0.00 57.85 55.91 1v27 n ARG 42 Cb 0.00 0.58 -0.10 0.00 -1.05 0.00 0.00 32.46 31.89 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 -1.46 5.12 0.63 2.89 -0.87 -1.26 -1.13 114.94 118.85 1v27 s ASN 43 Ca 0.06 -3.17 -0.14 0.00 -1.57 0.00 0.00 52.86 48.04 1v27 s ASN 43 Cb -0.00 -1.79 -0.02 0.00 -0.02 0.00 0.00 41.25 39.41 1v27 s ASN 43 CO 0.04 -0.27 1.05 -2.16 -2.57 0.00 0.00 177.10 173.20 1v27 s PRO 44 N -0.52 3.22 -0.29 -0.60 0.04 -1.26 -0.01 135.00 135.59 1v27 s PRO 44 Ca 0.20 1.09 -0.20 0.00 0.04 0.00 0.00 61.00 62.13 1v27 s PRO 44 Cb -0.17 -2.02 0.13 0.00 0.04 0.00 0.00 34.50 32.47 1v27 s PRO 44 CO -0.06 -0.88 0.96 1.52 0.04 0.00 0.00 177.00 178.59 1v27 s TYR 45 N -2.69 -0.59 0.31 0.56 -0.85 -0.98 -2.88 117.35 110.24 1v27 s TYR 45 Ca 0.61 1.27 -0.05 0.00 -0.52 0.00 0.00 57.07 58.38 1v27 s TYR 45 Cb -0.15 0.38 -0.05 0.00 0.38 0.00 0.00 41.96 42.52 1v27 s TYR 45 CO 0.43 -0.29 0.58 0.08 -1.52 0.00 0.00 175.55 174.83 1v27 s VAL 46 N 0.91 5.01 -0.17 -3.49 1.01 -1.26 -2.24 120.40 120.17 1v27 s VAL 46 Ca -0.04 0.05 -0.05 0.00 0.00 0.00 0.00 61.98 61.94 1v27 s VAL 46 Cb -0.04 -3.75 0.06 0.00 0.00 0.00 0.00 36.38 32.65 1v27 s VAL 46 CO -0.12 -0.38 0.09 -0.54 0.00 0.00 0.00 175.10 174.16 1v27 s LYS 47 N -3.69 0.07 0.22 2.72 1.02 0.31 -3.34 119.74 117.04 1v27 s LYS 47 Ca 0.44 -0.07 -0.09 0.00 0.02 0.00 0.00 55.97 56.27 1v27 s LYS 47 Cb -0.11 -1.80 -0.07 0.00 -0.52 0.00 0.00 37.83 35.33 1v27 s LYS 47 CO 0.31 -0.67 0.53 0.42 -0.92 0.00 0.00 175.35 175.02 1v27 s ILE 48 N 2.15 4.96 -0.31 2.17 1.01 0.41 -0.21 121.20 131.37 1v27 s ILE 48 Ca 0.02 0.41 0.04 0.00 0.00 0.00 0.00 60.65 61.13 1v27 s ILE 48 Cb -0.16 -3.62 0.18 0.00 0.01 0.00 0.00 42.46 38.87 1v27 s ILE 48 CO -0.09 -0.06 0.49 -0.31 0.00 0.00 0.00 174.94 174.97 1v27 s TYR 49 N -1.80 -1.32 -0.00 3.97 2.02 -1.09 -1.90 117.35 117.22 1v27 s TYR 49 Ca 0.47 0.47 -0.30 0.00 -0.37 0.00 0.00 57.07 57.33 1v27 s TYR 49 Cb -0.11 0.04 -0.07 0.00 -0.40 0.00 0.00 41.96 41.41 1v27 s TYR 49 CO 0.22 -1.04 1.76 0.12 -1.57 0.00 0.00 175.55 175.03 1v27 s PHE 50 N 2.46 1.83 0.13 2.71 5.36 -1.05 -2.78 117.98 126.63 1v27 s PHE 50 Ca 0.11 -0.00 -0.02 0.00 -0.96 0.00 0.00 56.93 56.06 1v27 s PHE 50 Cb -0.11 -4.04 -0.05 0.00 -0.34 0.00 0.00 43.02 38.49 1v27 s PHE 50 CO -0.24 -4.43 0.32 -0.51 -1.46 0.00 0.00 175.22 168.90 1v27 s LEU 51 N 3.91 4.29 0.00 6.12 1.43 -0.54 -4.24 118.68 129.65 1v27 s LEU 51 Ca 0.78 0.44 0.00 0.00 -1.03 0.00 0.00 54.13 54.32 1v27 s LEU 51 Cb -0.38 -3.16 0.00 0.00 0.03 0.00 0.00 46.19 42.68 1v27 s LEU 51 CO 0.34 0.07 0.00 -0.81 0.23 0.00 0.00 176.35 176.18 1v27 n PRO 52 N -0.00 -0.03 -0.99 1.29 -0.04 -1.26 -3.37 135.00 130.60 1v27 n PRO 52 Ca -0.04 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.42 1v27 n PRO 52 Cb 0.52 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.98 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 -2.05 -5.69 -3.37 3.54 2.03 -1.26 -5.00 116.55 104.75 1v27 n ASP 53 Ca 0.00 0.83 -0.16 0.00 0.52 0.00 0.00 54.79 55.98 1v27 n ASP 53 Cb 0.00 -2.65 -0.08 0.00 -0.72 0.00 0.00 41.12 37.67 1v27 n ASP 53 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 1v27 s ARG 54 N -4.64 0.50 0.17 -0.67 0.52 -1.26 -4.53 118.95 109.03 1v27 s ARG 54 Ca 0.00 -0.47 -0.23 0.00 -0.52 0.00 0.00 55.73 54.51 1v27 s ARG 54 Cb 0.00 -0.64 0.08 0.00 0.52 0.00 0.00 34.95 34.90 1v27 s ARG 54 CO 0.00 -1.12 1.04 0.45 0.02 0.00 0.00 175.30 175.70 1v27 s SER 55 N 1.91 -0.02 0.60 0.23 0.15 -1.26 -4.98 113.70 110.32 1v27 s SER 55 Ca 0.13 -0.61 0.28 0.00 0.70 0.00 0.00 55.95 56.46 1v27 s SER 55 Cb -0.14 0.48 1.30 0.00 -1.71 0.00 0.00 66.02 65.94 1v27 s SER 55 CO -0.18 -0.94 1.69 0.44 1.20 0.00 0.00 173.24 175.45 1v27 h ASP 56 N 2.00 0.00 0.29 5.45 3.32 -2.01 0.32 116.42 125.79 1v27 h ASP 56 Ca -0.27 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.78 1v27 h ASP 56 Cb 1.22 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.74 1v27 h ASP 56 CO 0.34 0.00 -0.40 0.50 -1.72 0.00 0.00 179.24 177.96 1v27 h LYS 57 N 0.00 -0.72 -1.64 3.56 1.63 -2.00 -3.26 116.57 114.14 1v27 h LYS 57 Ca 0.31 0.05 -0.51 0.00 -0.85 0.00 0.00 60.65 59.65 1v27 h LYS 57 Cb 1.80 0.16 -0.41 0.00 -0.60 0.00 0.00 32.23 33.18 1v27 h LYS 57 CO -0.00 -0.48 -0.90 0.09 -3.45 0.00 0.00 179.45 174.70 1v27 n ASN 58 N -5.48 3.21 -4.21 4.20 3.02 0.58 -5.05 115.26 111.53 1v27 n ASN 58 Ca -0.09 -3.34 -0.30 0.00 -0.03 0.00 0.00 54.58 50.82 1v27 n ASN 58 Cb 0.38 -0.53 -0.17 0.00 -0.61 0.00 0.00 39.78 38.86 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 -3.24 2.49 -0.05 3.52 2.36 0.80 -2.52 119.74 123.10 1v27 s LYS 59 Ca 0.42 -0.81 0.01 0.00 -2.55 0.00 0.00 55.97 53.04 1v27 s LYS 59 Cb 0.38 -2.03 0.02 0.00 -1.05 0.00 0.00 37.83 35.15 1v27 s LYS 59 CO -0.10 0.27 -0.05 1.03 1.55 0.00 0.00 175.35 178.05 1v27 s ARG 60 N 0.08 0.89 -0.01 4.03 1.81 -0.80 -4.85 118.95 120.10 1v27 s ARG 60 Ca -0.09 -0.12 0.00 0.00 -1.72 0.00 0.00 55.73 53.81 1v27 s ARG 60 Cb -0.15 -0.90 0.01 0.00 -0.45 0.00 0.00 34.95 33.46 1v27 s ARG 60 CO 0.05 -0.09 0.00 0.50 -0.68 0.00 0.00 175.30 175.08 1v27 s ARG 61 N 0.98 0.06 0.68 3.54 3.52 -1.26 0.15 118.95 126.62 1v27 s ARG 61 Ca -0.10 0.03 -0.10 0.00 -0.13 0.00 0.00 55.73 55.43 1v27 s ARG 61 Cb -0.14 -0.14 0.02 0.00 -1.56 0.00 0.00 34.95 33.13 1v27 s ARG 61 CO -0.00 -0.04 1.04 0.95 -0.81 0.00 0.00 175.30 176.44 1v27 s THR 62 N 0.32 3.36 0.51 4.11 -4.23 -1.21 -5.01 115.64 113.49 1v27 s THR 62 Ca -0.03 0.26 -0.23 0.00 -1.18 0.00 0.00 61.69 60.51 1v27 s THR 62 Cb -0.04 -3.41 -0.06 0.00 1.34 0.00 0.00 72.50 70.33 1v27 s THR 62 CO -0.01 -0.50 1.33 2.29 -0.54 0.00 0.00 174.62 177.19 1v27 n LYS 63 N -2.90 1.77 -2.63 3.99 2.85 -1.26 -4.75 118.16 115.23 1v27 n LYS 63 Ca 0.06 0.64 -0.43 0.00 -1.05 0.00 0.00 58.31 57.54 1v27 n LYS 63 Cb 0.58 -2.52 -0.02 0.00 -0.65 0.00 0.00 35.03 32.42 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 -1.27 4.26 0.65 0.58 2.01 -1.26 -4.85 115.64 115.76 1v27 s THR 64 Ca 0.68 1.22 -0.14 0.00 0.31 0.00 0.00 61.69 63.76 1v27 s THR 64 Cb -0.44 -4.57 -0.01 0.00 0.01 0.00 0.00 72.50 67.49 1v27 s THR 64 CO 0.52 -0.94 1.08 -0.69 -0.69 0.00 0.00 174.62 173.90 1v27 s VAL 65 N 4.31 3.59 -0.13 3.82 1.01 -1.14 -5.02 120.40 126.84 1v27 s VAL 65 Ca 0.46 0.68 0.02 0.00 0.00 0.00 0.00 61.98 63.15 1v27 s VAL 65 Cb -0.08 -3.23 -0.00 0.00 0.00 0.00 0.00 36.38 33.07 1v27 s VAL 65 CO 0.30 -0.51 -0.19 -0.54 0.00 0.00 0.00 175.10 174.15 1v27 s LYS 66 N -4.32 3.14 -0.02 2.72 -0.14 -1.26 -4.01 119.74 115.85 1v27 s LYS 66 Ca 0.64 -0.81 -0.00 0.00 -1.36 0.00 0.00 55.97 54.44 1v27 s LYS 66 Cb -0.17 -2.48 0.00 0.00 -1.68 0.00 0.00 37.83 33.50 1v27 s LYS 66 CO 0.43 0.09 0.00 1.63 -0.76 0.00 0.00 175.35 176.75 1v27 n LYS 67 N 3.81 -0.71 -3.15 1.68 5.02 -0.28 -4.95 118.16 119.58 1v27 n LYS 67 Ca -0.19 1.01 0.06 0.00 -2.02 0.00 0.00 58.31 57.17 1v27 n LYS 67 Cb 0.52 -1.27 -0.02 0.00 -0.02 0.00 0.00 35.03 34.24 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 -0.03 0.19 -0.18 -1.32 -0.63 -4.88 115.64 107.93 1v27 s THR 68 Ca -0.00 0.00 0.29 0.00 -1.21 0.00 0.00 61.69 60.76 1v27 s THR 68 Cb 0.00 -0.89 0.31 0.00 -1.51 0.00 0.00 72.50 70.40 1v27 s THR 68 CO 0.06 0.00 1.94 -0.07 -2.21 0.00 0.00 174.62 174.34 1v27 h LEU 69 N 7.89 0.00 -7.21 9.08 4.07 -1.95 -3.35 115.31 123.85 1v27 h LEU 69 Ca -0.10 0.00 -0.63 0.00 0.08 0.00 0.00 57.88 57.24 1v27 h LEU 69 Cb 1.18 0.00 -0.41 0.00 1.08 0.00 0.00 40.66 42.51 1v27 h LEU 69 CO -0.25 0.12 -0.65 -1.61 -1.08 0.00 0.00 178.44 174.98 1v27 s GLU 70 N -3.77 1.91 0.53 1.13 2.02 -1.26 -4.11 118.70 115.15 1v27 s GLU 70 Ca -0.00 -2.64 -0.18 0.00 0.02 0.00 0.00 54.97 52.16 1v27 s GLU 70 Cb 0.10 -3.09 -0.07 0.00 0.10 0.00 0.00 34.13 31.18 1v27 s GLU 70 CO 0.59 -1.17 1.04 -1.25 0.02 0.00 0.00 175.26 174.49 1v27 s PRO 71 N -0.41 3.62 -0.35 0.39 0.04 -1.25 -4.80 135.00 132.25 1v27 s PRO 71 Ca 0.19 1.28 -0.01 0.00 0.04 0.00 0.00 61.00 62.50 1v27 s PRO 71 Cb -0.20 -2.07 0.12 0.00 0.04 0.00 0.00 34.50 32.39 1v27 s PRO 71 CO -0.04 -0.57 0.17 0.15 0.04 0.00 0.00 177.00 176.75 1v27 s LYS 72 N -3.61 0.64 -0.13 4.56 1.02 -1.26 -1.72 119.74 119.24 1v27 s LYS 72 Ca 0.65 -1.23 -0.09 0.00 0.02 0.00 0.00 55.97 55.33 1v27 s LYS 72 Cb -0.16 -1.61 -0.25 0.00 -0.52 0.00 0.00 37.83 35.29 1v27 s LYS 72 CO 0.27 -1.11 0.33 0.91 -0.92 0.00 0.00 175.35 174.83 1v27 n TRP 73 N 4.39 1.20 -3.37 3.18 8.01 0.18 -4.92 117.44 126.10 1v27 n TRP 73 Ca 0.04 0.28 -0.19 0.00 -1.31 0.00 0.00 57.50 56.32 1v27 n TRP 73 Cb 0.39 -1.15 -0.04 0.00 -2.01 0.00 0.00 31.31 28.50 1v27 n TRP 73 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.69 176.77 1v27 n ASN 74 N -3.61 -1.34 -3.95 -0.99 3.02 0.25 -4.86 115.26 103.78 1v27 n ASN 74 Ca -0.32 -0.30 -0.25 0.00 -0.03 0.00 0.00 54.58 53.67 1v27 n ASN 74 Cb 1.00 -1.24 0.17 0.00 -0.61 0.00 0.00 39.78 39.10 1v27 n ASN 74 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1v27 n GLN 75 N -3.13 -0.85 -4.43 3.52 1.13 -1.17 -4.85 117.38 107.60 1v27 n GLN 75 Ca 0.05 -2.10 -0.21 0.00 -1.94 0.00 0.00 57.00 52.80 1v27 n GLN 75 Cb 0.46 -1.07 -0.14 0.00 0.11 0.00 0.00 30.24 29.61 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 -3.44 1.15 -0.15 5.09 2.01 -1.26 -2.85 115.64 116.19 1v27 s THR 76 Ca 0.67 -0.94 -0.04 0.00 0.31 0.00 0.00 61.69 61.70 1v27 s THR 76 Cb -0.02 -1.02 0.07 0.00 0.01 0.00 0.00 72.50 71.53 1v27 s THR 76 CO 0.47 0.08 0.16 -0.36 -0.69 0.00 0.00 174.62 174.28 1v27 s PHE 77 N -0.75 -0.12 -0.19 4.92 0.08 -0.98 -4.96 117.98 115.98 1v27 s PHE 77 Ca 0.03 0.22 -0.12 0.00 0.12 0.00 0.00 56.93 57.18 1v27 s PHE 77 Cb -0.07 -0.41 -0.05 0.00 -0.57 0.00 0.00 43.02 41.91 1v27 s PHE 77 CO 0.01 -0.46 0.20 0.42 -0.10 0.00 0.00 175.22 175.29 1v27 s ILE 78 N 2.26 5.36 -0.25 0.64 1.01 -1.26 -0.76 121.20 128.21 1v27 s ILE 78 Ca 0.04 0.32 0.03 0.00 0.00 0.00 0.00 60.65 61.04 1v27 s ILE 78 Cb -0.14 -3.54 0.05 0.00 0.01 0.00 0.00 42.46 38.84 1v27 s ILE 78 CO -0.09 0.40 -0.12 -0.31 0.00 0.00 0.00 174.94 174.82 1v27 s TYR 79 N 0.56 3.15 0.11 3.97 2.02 0.15 -4.88 117.35 122.43 1v27 s TYR 79 Ca 0.11 -2.20 -0.08 0.00 -0.37 0.00 0.00 57.07 54.53 1v27 s TYR 79 Cb -0.12 -1.91 -0.01 0.00 -0.40 0.00 0.00 41.96 39.52 1v27 s TYR 79 CO 0.01 -0.86 0.20 -1.54 -1.57 0.00 0.00 175.55 171.79 1v27 s SER 80 N 1.14 0.13 0.30 2.29 1.04 -1.26 0.13 113.70 117.47 1v27 s SER 80 Ca -0.07 -0.79 -0.28 0.00 0.48 0.00 0.00 55.95 55.29 1v27 s SER 80 Cb -0.19 0.36 -0.09 0.00 0.10 0.00 0.00 66.02 66.19 1v27 s SER 80 CO -0.06 -0.77 1.08 -2.16 0.98 0.00 0.00 173.24 172.30 1v27 s PRO 81 N -3.91 4.57 -0.11 4.02 0.04 -1.26 -5.06 135.00 133.29 1v27 s PRO 81 Ca 0.10 1.72 -0.01 0.00 0.04 0.00 0.00 61.00 62.85 1v27 s PRO 81 Cb 0.05 -3.08 0.03 0.00 0.04 0.00 0.00 34.50 31.54 1v27 s PRO 81 CO -0.06 0.18 -0.01 0.08 0.04 0.00 0.00 177.00 177.22 1v27 s VAL 82 N -1.25 0.62 0.19 -0.36 1.01 0.53 -4.97 120.40 116.17 1v27 s VAL 82 Ca 0.47 -0.17 0.04 0.00 0.00 0.00 0.00 61.98 62.32 1v27 s VAL 82 Cb -0.30 -0.81 -0.03 0.00 0.00 0.00 0.00 36.38 35.24 1v27 s VAL 82 CO 0.38 0.18 0.27 -1.00 0.00 0.00 0.00 175.10 174.94 1v27 s HIS 83 N 1.86 3.38 0.19 5.22 3.76 -1.26 -3.70 115.29 124.74 1v27 s HIS 83 Ca 0.03 0.03 -0.08 0.00 -0.15 0.00 0.00 55.06 54.89 1v27 s HIS 83 Cb -0.13 -1.58 0.10 0.00 1.11 0.00 0.00 32.58 32.07 1v27 s HIS 83 CO -0.07 0.49 1.65 -0.09 -0.85 0.00 0.00 174.74 175.88 1v27 h ARG 84 N 1.81 1.05 0.00 1.40 9.65 -1.99 -2.44 114.38 123.86 1v27 h ARG 84 Ca -0.49 -0.33 -0.08 0.00 -1.10 0.00 0.00 59.98 57.97 1v27 h ARG 84 Cb 1.21 -0.10 -0.01 0.00 -1.39 0.00 0.00 29.97 29.68 1v27 h ARG 84 CO 0.64 1.03 -0.39 0.07 2.80 0.00 0.00 179.97 184.12 1v27 h ARG 85 N 0.95 0.00 -0.77 0.20 0.11 -2.01 -2.77 114.38 110.10 1v27 h ARG 85 Ca 0.17 0.00 -0.02 0.00 0.10 0.00 0.00 59.98 60.23 1v27 h ARG 85 Cb 0.56 0.00 -0.04 0.00 1.11 0.00 0.00 29.97 31.61 1v27 h ARG 85 CO 0.03 0.39 0.42 0.93 0.10 0.00 0.00 179.97 181.83 1v27 h GLU 86 N 0.00 1.06 -0.91 0.08 4.39 -1.82 -2.93 114.58 114.46 1v27 h GLU 86 Ca -0.00 -0.12 0.14 0.00 0.34 0.00 0.00 59.36 59.72 1v27 h GLU 86 Cb 0.77 -0.21 -0.15 0.00 -0.10 0.00 0.00 28.75 29.06 1v27 h GLU 86 CO 0.05 0.78 -0.35 1.19 -1.16 0.00 0.00 179.01 179.52 1v27 n PHE 87 N -4.35 0.04 -0.23 4.33 3.01 -1.04 0.10 117.46 119.31 1v27 n PHE 87 Ca 0.08 1.12 0.00 0.00 1.01 0.00 0.00 57.45 59.66 1v27 n PHE 87 Cb 0.10 -0.85 0.07 0.00 -0.01 0.00 0.00 39.48 38.80 1v27 n PHE 87 CO 0.00 0.00 0.00 -0.09 1.01 0.00 0.00 176.76 177.68 1v27 h ARG 88 N 0.00 0.00 -1.82 -1.08 2.43 -1.70 0.14 114.38 112.36 1v27 h ARG 88 Ca 0.32 -0.00 -0.73 0.00 -0.81 0.00 0.00 59.98 58.76 1v27 h ARG 88 Cb 0.55 -0.00 -0.26 0.00 -0.42 0.00 0.00 29.97 29.83 1v27 h ARG 88 CO -0.90 0.00 0.98 0.39 -1.51 0.00 0.00 179.97 178.93 1v27 n GLU 89 N -5.45 2.70 -3.63 0.20 1.02 0.28 -4.85 120.64 110.91 1v27 n GLU 89 Ca 0.09 -3.37 -0.08 0.00 -0.02 0.00 0.00 57.16 53.77 1v27 n GLU 89 Cb 0.35 -2.26 -0.07 0.00 -0.02 0.00 0.00 31.44 29.45 1v27 n GLU 89 CO 0.00 0.00 0.00 0.50 1.18 0.00 0.00 177.13 178.81 1v27 s ARG 90 N -3.84 0.44 -0.05 3.49 3.52 0.50 -4.85 118.95 118.16 1v27 s ARG 90 Ca 0.54 0.46 -0.12 0.00 -0.13 0.00 0.00 55.73 56.49 1v27 s ARG 90 Cb 0.45 0.21 0.02 0.00 -1.56 0.00 0.00 34.95 34.07 1v27 s ARG 90 CO -0.33 -0.07 0.27 1.41 -0.81 0.00 0.00 175.30 175.77 1v27 s MET 91 N 0.03 0.51 0.26 5.12 -2.45 -1.22 -3.34 119.30 118.21 1v27 s MET 91 Ca 0.03 -0.02 -0.05 0.00 -1.25 0.00 0.00 55.69 54.41 1v27 s MET 91 Cb -0.04 0.23 -0.05 0.00 1.25 0.00 0.00 34.83 36.21 1v27 s MET 91 CO -0.07 -0.12 0.52 -0.51 1.05 0.00 0.00 175.02 175.89 1v27 s LEU 92 N -0.80 4.11 -0.35 4.11 2.01 -0.36 -1.47 118.68 125.92 1v27 s LEU 92 Ca -0.09 0.67 -0.00 0.00 0.01 0.00 0.00 54.13 54.72 1v27 s LEU 92 Cb -0.05 -3.47 0.13 0.00 0.01 0.00 0.00 46.19 42.82 1v27 s LEU 92 CO 0.02 -0.15 0.20 -0.70 1.01 0.00 0.00 176.35 176.73 1v27 s GLU 93 N -3.41 0.58 0.10 1.70 2.12 -1.12 -2.43 118.70 116.24 1v27 s GLU 93 Ca 0.43 -1.27 -0.20 0.00 0.36 0.00 0.00 54.97 54.29 1v27 s GLU 93 Cb -0.11 -1.41 -0.07 0.00 0.26 0.00 0.00 34.13 32.80 1v27 s GLU 93 CO 0.29 -1.17 0.61 0.42 -0.54 0.00 0.00 175.26 174.87 1v27 s ILE 94 N 1.17 4.66 0.04 -3.70 1.09 -0.42 -2.67 121.20 121.37 1v27 s ILE 94 Ca 0.16 1.30 0.04 0.00 -1.10 0.00 0.00 60.65 61.06 1v27 s ILE 94 Cb -0.22 -3.94 -0.02 0.00 -1.06 0.00 0.00 42.46 37.22 1v27 s ILE 94 CO -0.06 0.53 -0.13 0.42 -0.10 0.00 0.00 174.94 175.60 1v27 s THR 95 N -1.14 1.00 -0.05 2.92 -4.23 0.71 0.15 115.64 114.99 1v27 s THR 95 Ca 0.31 -0.99 0.03 0.00 -1.18 0.00 0.00 61.69 59.86 1v27 s THR 95 Cb -0.20 -0.92 0.00 0.00 1.34 0.00 0.00 72.50 72.72 1v27 s THR 95 CO 0.21 -0.06 -0.14 -0.22 -0.54 0.00 0.00 174.62 173.86 1v27 s LEU 96 N -1.19 1.79 0.00 4.79 2.96 -0.44 0.11 118.68 126.71 1v27 s LEU 96 Ca -0.00 -0.31 0.00 0.00 -0.22 0.00 0.00 54.13 53.59 1v27 s LEU 96 Cb -0.08 -0.87 0.00 0.00 0.50 0.00 0.00 46.19 45.74 1v27 s LEU 96 CO 0.01 0.09 0.00 0.79 -1.32 0.00 0.00 176.35 175.92 1v27 n TRP 97 N 3.45 -0.10 -3.68 5.38 7.02 -0.95 -2.10 117.44 126.46 1v27 n TRP 97 Ca -0.20 0.00 -0.20 0.00 -1.02 0.00 0.00 57.50 56.08 1v27 n TRP 97 Cb 0.53 0.00 -0.18 0.00 -2.42 0.00 0.00 31.31 29.24 1v27 n TRP 97 CO 0.00 0.00 0.00 0.34 -2.02 0.00 0.00 177.69 176.01 1v27 s ASP 98 N -0.95 1.15 -0.64 -0.99 2.15 -1.22 -2.32 116.67 113.86 1v27 s ASP 98 Ca 0.00 0.07 -0.26 0.00 0.43 0.00 0.00 52.55 52.79 1v27 s ASP 98 Cb 0.00 -0.16 -0.08 0.00 -0.30 0.00 0.00 42.92 42.38 1v27 s ASP 98 CO 0.00 -0.25 2.29 -1.58 -0.17 0.00 0.00 175.17 175.46 1v27 s GLN 99 N 2.14 2.06 0.00 4.34 0.74 0.99 -4.11 119.66 125.81 1v27 s GLN 99 Ca 0.05 0.84 0.00 0.00 0.05 0.00 0.00 55.36 56.30 1v27 s GLN 99 Cb -0.12 -4.67 0.00 0.00 1.10 0.00 0.00 33.01 29.32 1v27 s GLN 99 CO -0.03 -3.58 0.00 0.00 -0.55 0.00 0.00 175.29 171.13 1v27 n ALA 100 N 16.16 0.00 -2.02 1.58 0.00 -1.26 -4.41 120.51 130.56 1v27 n ALA 100 Ca 0.38 -0.03 -0.20 0.00 0.00 0.00 0.00 53.44 53.59 1v27 n ALA 100 Cb 0.50 0.00 0.17 0.00 0.00 0.00 0.00 19.45 20.12 1v27 n ALA 100 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1v27 n ARG 101 N -1.34 -0.92 0.00 0.00 5.12 -1.22 -5.08 116.66 113.22 1v27 n ARG 101 Ca 0.00 -2.02 0.00 0.00 -1.93 0.00 0.00 57.85 53.90 1v27 n ARG 101 Cb 0.00 -1.10 0.00 0.00 -1.16 0.00 0.00 32.46 30.20 1v27 n ARG 101 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 1v27 n VAL 102 N -3.46 0.00 0.00 1.55 0.31 -1.26 -4.87 118.33 110.60 1v27 n VAL 102 Ca 0.15 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.48 1v27 n VAL 102 Cb 0.53 -0.83 0.00 0.00 -0.91 0.00 0.00 33.84 32.63 1v27 n VAL 102 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1v27 n ARG 103 N -1.25 0.00 -1.05 5.55 1.74 -1.26 -4.72 116.66 115.67 1v27 n ARG 103 Ca 0.00 0.65 -0.30 0.00 -0.77 0.00 0.00 57.85 57.44 1v27 n ARG 103 Cb 0.00 -1.48 0.25 0.00 -1.02 0.00 0.00 32.46 30.21 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 -2.28 -3.13 0.00 5.56 1.02 -1.26 -5.04 120.64 115.51 1v27 n GLU 104 Ca 0.00 -1.75 0.00 0.00 -0.02 0.00 0.00 57.16 55.39 1v27 n GLU 104 Cb 0.00 -1.63 0.00 0.00 -0.02 0.00 0.00 31.44 29.79 1v27 n GLU 104 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1v27 n GLU 105 N -4.82 0.00 -4.22 3.49 1.02 -1.26 -4.61 120.64 110.23 1v27 n GLU 105 Ca 0.15 0.13 -0.34 0.00 -0.02 0.00 0.00 57.16 57.08 1v27 n GLU 105 Cb 0.59 -0.53 -0.04 0.00 -0.02 0.00 0.00 31.44 31.43 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 -1.31 -2.52 -4.05 3.49 1.02 -1.26 -3.41 120.64 112.61 1v27 n GLU 106 Ca 0.00 0.30 -0.24 0.00 -0.02 0.00 0.00 57.16 57.20 1v27 n GLU 106 Cb 0.00 -4.68 -0.04 0.00 -0.02 0.00 0.00 31.44 26.69 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 -3.71 5.79 -0.20 1.62 0.01 -1.26 -4.20 113.70 111.76 1v27 s SER 107 Ca 0.47 -0.08 -0.07 0.00 1.31 0.00 0.00 55.95 57.59 1v27 s SER 107 Cb -0.26 -1.58 -0.03 0.00 0.21 0.00 0.00 66.02 64.35 1v27 s SER 107 CO 0.94 0.02 0.05 -0.70 0.41 0.00 0.00 173.24 173.96 1v27 s GLU 108 N -3.45 3.82 -0.91 12.44 2.12 -1.26 -4.97 118.70 126.50 1v27 s GLU 108 Ca 0.33 -0.42 -0.24 0.00 0.36 0.00 0.00 54.97 55.00 1v27 s GLU 108 Cb -0.10 -3.19 -0.00 0.00 0.26 0.00 0.00 34.13 31.10 1v27 s GLU 108 CO 0.26 0.13 1.71 0.12 -0.54 0.00 0.00 175.26 176.94 1v27 s PHE 109 N 0.74 2.09 0.53 5.30 5.36 -1.26 -3.39 117.98 127.35 1v27 s PHE 109 Ca 0.02 0.05 0.19 0.00 -0.96 0.00 0.00 56.93 56.23 1v27 s PHE 109 Cb -0.14 -4.33 1.32 0.00 -0.34 0.00 0.00 43.02 39.54 1v27 s PHE 109 CO 0.02 -1.88 2.11 -0.07 -1.46 0.00 0.00 175.22 173.94 1v27 h LEU 110 N 15.56 0.00 0.00 6.12 3.38 -1.75 -3.47 115.31 135.15 1v27 h LEU 110 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1v27 h LEU 110 Cb 1.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.77 1v27 h LEU 110 CO 1.30 0.00 0.00 0.61 0.09 0.00 0.00 178.44 180.44 1v27 n GLY 111 N -1.56 4.58 3.73 0.83 0.00 -1.11 -4.27 105.19 107.40 1v27 n GLY 111 Ca 0.00 -1.28 -0.23 0.00 0.00 0.00 0.00 46.02 44.51 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 -3.93 2.62 -0.30 1.61 -1.05 -1.13 -1.33 118.70 115.19 1v27 s GLU 112 Ca 0.00 -1.18 0.01 0.00 -0.15 0.00 0.00 54.97 53.65 1v27 s GLU 112 Cb 0.00 -2.39 0.09 0.00 -0.44 0.00 0.00 34.13 31.39 1v27 s GLU 112 CO 0.00 0.40 0.05 0.42 0.95 0.00 0.00 175.26 177.08 1v27 s ILE 113 N -2.12 1.39 0.12 1.83 1.01 0.40 -2.13 121.20 121.70 1v27 s ILE 113 Ca 0.31 -1.61 -0.10 0.00 0.00 0.00 0.00 60.65 59.25 1v27 s ILE 113 Cb -0.08 -1.96 -0.06 0.00 0.01 0.00 0.00 42.46 40.37 1v27 s ILE 113 CO 0.22 -0.53 0.45 -0.76 0.00 0.00 0.00 174.94 174.32 1v27 s LEU 114 N 1.38 4.31 -0.06 2.97 1.02 -1.26 -1.30 118.68 125.73 1v27 s LEU 114 Ca 0.07 0.85 -0.03 0.00 0.02 0.00 0.00 54.13 55.04 1v27 s LEU 114 Cb -0.18 -3.19 0.04 0.00 0.02 0.00 0.00 46.19 42.88 1v27 s LEU 114 CO -0.16 0.11 0.13 -0.63 0.02 0.00 0.00 176.35 175.82 1v27 s ILE 115 N -1.50 -0.07 -0.52 -0.59 1.09 -1.02 -4.97 121.20 113.62 1v27 s ILE 115 Ca 0.37 0.20 -0.25 0.00 -1.10 0.00 0.00 60.65 59.87 1v27 s ILE 115 Cb -0.14 -0.23 0.04 0.00 -1.06 0.00 0.00 42.46 41.07 1v27 s ILE 115 CO 0.20 0.08 0.96 -1.61 -0.10 0.00 0.00 174.94 174.47 1v27 s GLU 116 N 1.26 3.42 0.53 2.79 2.02 -1.26 -1.23 118.70 126.22 1v27 s GLU 116 Ca -0.08 -0.07 0.41 0.00 0.02 0.00 0.00 54.97 55.26 1v27 s GLU 116 Cb -0.12 -4.01 1.60 0.00 0.10 0.00 0.00 34.13 31.71 1v27 s GLU 116 CO -0.06 -1.41 1.67 -0.07 0.02 0.00 0.00 175.26 175.41 1v27 h LEU 117 N 10.92 0.06 -0.44 1.80 3.38 -1.76 1.65 115.31 130.92 1v27 h LEU 117 Ca -0.25 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.75 1v27 h LEU 117 Cb 1.07 0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.82 1v27 h LEU 117 CO 1.08 -0.03 0.29 -0.08 0.09 0.00 0.00 178.44 179.79 1v27 h GLU 118 N 0.03 0.58 -0.29 1.13 4.81 -1.73 -2.71 114.58 116.40 1v27 h GLU 118 Ca 0.78 -0.04 -0.04 0.00 -0.13 0.00 0.00 59.36 59.94 1v27 h GLU 118 Cb 2.99 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 32.22 1v27 h GLU 118 CO -0.08 0.39 0.00 0.25 -0.73 0.00 0.00 179.01 178.84 1v27 n THR 119 N -4.78 2.35 -2.36 0.32 -2.24 0.47 -4.93 114.28 103.12 1v27 n THR 119 Ca 0.01 -2.00 -0.41 0.00 -2.27 0.00 0.00 64.05 59.38 1v27 n THR 119 Cb 0.02 -0.27 -0.03 0.00 -2.10 0.00 0.00 70.33 67.95 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 -2.90 2.63 -0.65 6.98 0.00 0.36 -4.84 121.76 123.34 1v27 s ALA 120 Ca 0.43 -0.92 -0.26 0.00 0.00 0.00 0.00 51.96 51.21 1v27 s ALA 120 Cb 0.35 -4.21 -0.07 0.00 0.00 0.00 0.00 23.12 19.19 1v27 s ALA 120 CO 0.08 -3.31 2.23 -0.48 0.00 0.00 0.00 175.76 174.28 1v27 s LEU 121 N 6.71 3.20 -0.35 0.00 0.05 -1.26 -4.90 118.68 122.12 1v27 s LEU 121 Ca 0.50 0.40 -0.13 0.00 0.05 0.00 0.00 54.13 54.95 1v27 s LEU 121 Cb -0.10 -2.53 -0.01 0.00 -2.05 0.00 0.00 46.19 41.50 1v27 s LEU 121 CO 0.20 -3.03 0.25 -0.76 -0.55 0.00 0.00 176.35 172.46 1v27 s LEU 122 N 11.97 4.62 0.00 1.48 1.43 -1.26 -4.78 118.68 132.15 1v27 s LEU 122 Ca 0.86 -0.52 0.01 0.00 -1.03 0.00 0.00 54.13 53.44 1v27 s LEU 122 Cb -0.13 -2.14 0.01 0.00 0.03 0.00 0.00 46.19 43.96 1v27 s LEU 122 CO 0.16 -0.28 0.91 0.47 0.23 0.00 0.00 176.35 177.84 1v27 n ASP 123 N 5.11 -0.76 -4.12 2.29 8.00 -1.22 -4.79 116.55 121.05 1v27 n ASP 123 Ca -0.12 -1.81 -0.33 0.00 0.71 0.00 0.00 54.79 53.24 1v27 n ASP 123 Cb 0.49 0.23 -0.02 0.00 -0.02 0.00 0.00 41.12 41.80 1v27 n ASP 123 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1v27 n ASP 124 N 0.01 -2.47 -4.22 -2.24 2.03 -0.91 -4.94 116.55 103.82 1v27 n ASP 124 Ca -0.22 -1.00 -0.31 0.00 0.52 0.00 0.00 54.79 53.79 1v27 n ASP 124 Cb 0.67 -2.91 -0.17 0.00 -0.72 0.00 0.00 41.12 37.99 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 -6.81 2.59 -0.08 -0.67 2.02 -1.26 -5.00 118.70 109.50 1v27 s GLU 125 Ca 0.50 -0.82 -0.30 0.00 0.02 0.00 0.00 54.97 54.37 1v27 s GLU 125 Cb -0.27 -2.09 -0.03 0.00 0.10 0.00 0.00 34.13 31.84 1v27 s GLU 125 CO 0.91 0.26 1.23 -1.25 0.02 0.00 0.00 175.26 176.44 1v27 s PRO 126 N 0.12 4.32 0.04 0.39 0.04 -1.26 -4.44 135.00 134.19 1v27 s PRO 126 Ca -0.10 1.70 0.06 0.00 0.04 0.00 0.00 61.00 62.70 1v27 s PRO 126 Cb -0.15 -3.61 -0.02 0.00 0.04 0.00 0.00 34.50 30.75 1v27 s PRO 126 CO 0.06 -0.52 -0.19 -1.58 0.04 0.00 0.00 177.00 174.81 1v27 s HIS 127 N 2.55 1.64 -0.50 0.56 2.46 -1.25 -5.02 115.29 115.74 1v27 s HIS 127 Ca 0.56 -0.36 -0.19 0.00 0.47 0.00 0.00 55.06 55.54 1v27 s HIS 127 Cb -0.24 -0.99 0.05 0.00 -0.13 0.00 0.00 32.58 31.27 1v27 s HIS 127 CO 0.21 0.07 0.61 -1.58 -2.47 0.00 0.00 174.74 171.57 1v27 s TRP 128 N -0.77 3.06 -0.29 3.88 0.52 -1.26 -3.04 118.94 121.04 1v27 s TRP 128 Ca 0.06 -0.51 -0.12 0.00 0.02 0.00 0.00 56.10 55.55 1v27 s TRP 128 Cb -0.08 -3.48 -0.04 0.00 -1.15 0.00 0.00 33.47 28.72 1v27 s TRP 128 CO 0.01 -1.00 0.22 0.71 0.02 0.00 0.00 176.95 176.92 1v27 s TYR 129 N 2.58 3.22 0.58 -1.98 2.02 -0.27 -4.89 117.35 118.61 1v27 s TYR 129 Ca 0.15 0.08 -0.20 0.00 -0.37 0.00 0.00 57.07 56.72 1v27 s TYR 129 Cb -0.19 -2.42 -0.04 0.00 -0.40 0.00 0.00 41.96 38.91 1v27 s TYR 129 CO 0.12 -0.21 1.33 0.15 -1.57 0.00 0.00 175.55 175.37 1v27 s LYS 130 N 1.79 2.96 0.31 -0.62 3.01 -1.26 -2.55 119.74 123.38 1v27 s LYS 130 Ca 0.08 2.16 -0.08 0.00 -1.01 0.00 0.00 55.97 57.12 1v27 s LYS 130 Cb -0.16 -2.12 -0.06 0.00 -1.01 0.00 0.00 37.83 34.48 1v27 s LYS 130 CO 0.11 -1.31 0.62 -0.51 0.51 0.00 0.00 175.35 174.78 1v27 s LEU 131 N -3.80 4.01 -0.04 3.17 1.43 -1.11 -4.82 118.68 117.52 1v27 s LEU 131 Ca 0.75 0.89 0.00 0.00 -1.03 0.00 0.00 54.13 54.74 1v27 s LEU 131 Cb -0.39 -3.72 -0.03 0.00 0.03 0.00 0.00 46.19 42.08 1v27 s LEU 131 CO 0.44 -0.23 -0.01 -1.10 0.23 0.00 0.00 176.35 175.68 1v27 s GLN 132 N -3.49 2.86 -0.38 1.70 -1.52 -0.91 -4.84 119.66 113.08 1v27 s GLN 132 Ca 0.47 -0.52 0.02 0.00 -1.95 0.00 0.00 55.36 53.38 1v27 s GLN 132 Cb -0.11 -2.71 0.16 0.00 -0.22 0.00 0.00 33.01 30.13 1v27 s GLN 132 CO 0.28 0.66 0.28 0.95 -0.25 0.00 0.00 175.29 177.21 1v27 s THR 133 N -0.98 0.26 0.01 -0.19 -4.23 -1.26 -2.84 115.64 106.41 1v27 s THR 133 Ca 0.16 -2.20 0.00 0.00 -1.18 0.00 0.00 61.69 58.47 1v27 s THR 133 Cb -0.11 -1.20 0.00 0.00 1.34 0.00 0.00 72.50 72.53 1v27 s THR 133 CO 0.06 -1.11 0.00 1.57 -0.54 0.00 0.00 174.62 174.60 1v27 n HIS 134 N 3.43 -0.32 -3.68 3.99 -0.00 -1.26 -4.85 115.22 112.53 1v27 n HIS 134 Ca 0.21 0.01 -0.10 0.00 -0.00 0.00 0.00 57.72 57.84 1v27 n HIS 134 Cb 0.42 0.51 -0.09 0.00 -0.00 0.00 0.00 29.99 30.83 1v27 n HIS 134 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 1v27 s ASP 135 N -3.70 -0.65 0.01 0.26 1.01 -1.26 -5.06 116.67 107.27 1v27 s ASP 135 Ca 0.00 1.11 -0.25 0.00 0.71 0.00 0.00 52.55 54.12 1v27 s ASP 135 Cb 0.00 1.02 -0.15 0.00 1.01 0.00 0.00 42.92 44.80 1v27 s ASP 135 CO 0.00 -0.20 1.13 -1.28 0.21 0.00 0.00 175.17 175.02 1v27 h SER 136 N 6.65 -0.60 -2.98 0.27 0.87 -2.00 -3.45 113.55 112.31 1v27 h SER 136 Ca -0.33 -0.06 -0.51 0.00 -1.23 0.00 0.00 61.79 59.67 1v27 h SER 136 Cb 1.19 0.15 0.22 0.00 -0.44 0.00 0.00 62.40 63.53 1v27 h SER 136 CO 0.23 -0.22 -0.80 0.61 -0.53 0.00 0.00 176.83 176.11 1v27 n GLY 137 N -0.44 -2.26 3.76 5.77 0.00 -1.26 -4.98 105.19 105.78 1v27 n GLY 137 Ca -0.11 -0.76 -0.30 0.00 0.00 0.00 0.00 46.02 44.85 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 -3.51 -0.37 -0.30 1.61 0.04 -1.26 -5.09 135.00 126.12 1v27 s PRO 138 Ca 0.56 -0.28 -0.10 0.00 0.04 0.00 0.00 61.00 61.22 1v27 s PRO 138 Cb -0.18 -1.72 0.19 0.00 0.04 0.00 0.00 34.50 32.83 1v27 s PRO 138 CO 0.67 -3.11 1.00 -1.12 0.04 0.00 0.00 177.00 174.49 1v27 s SER 139 N -4.43 -0.52 0.05 6.66 0.01 -1.26 -5.12 113.70 109.08 1v27 s SER 139 Ca 0.73 0.04 -0.11 0.00 1.31 0.00 0.00 55.95 57.93 1v27 s SER 139 Cb -0.06 1.30 0.01 0.00 0.21 0.00 0.00 66.02 67.47 1v27 s SER 139 CO 0.55 -0.09 0.23 -0.94 0.41 0.00 0.00 173.24 173.39 1v27 s SER 140 N 2.89 -0.00 0.00 2.44 1.04 -1.26 -5.26 113.70 113.55 1v27 s SER 140 Ca 0.26 -0.36 0.00 0.00 0.48 0.00 0.00 55.95 56.33 1v27 s SER 140 Cb -0.02 0.32 0.00 0.00 0.10 0.00 0.00 66.02 66.42 1v27 s SER 140 CO -0.23 -0.60 0.00 0.61 0.98 0.00 0.00 173.24 174.00