#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1v27 s SER 2 N 0.00 5.34 -0.28 1.61 0.15 -1.26 -5.07 113.70 114.18 1v27 s SER 2 Ca 0.00 -0.02 -0.20 0.00 0.70 0.00 0.00 55.95 56.43 1v27 s SER 2 Cb 0.00 -1.91 0.11 0.00 -1.71 0.00 0.00 66.02 62.50 1v27 s SER 2 CO 0.00 0.13 0.86 -0.55 1.20 0.00 0.00 173.24 174.88 1v27 s SER 3 N 0.60 -0.67 0.00 5.45 0.15 -1.26 -4.87 113.70 113.11 1v27 s SER 3 Ca 0.02 1.15 0.00 0.00 0.70 0.00 0.00 55.95 57.82 1v27 s SER 3 Cb -0.13 1.23 0.00 0.00 -1.71 0.00 0.00 66.02 65.40 1v27 s SER 3 CO 0.02 -0.19 0.00 0.61 1.20 0.00 0.00 173.24 174.88 1v27 n GLY 4 N 3.32 1.72 3.38 9.45 0.00 -1.26 -5.19 105.19 116.61 1v27 n GLY 4 Ca -0.17 0.32 -0.19 0.00 0.00 0.00 0.00 46.02 45.98 1v27 n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1v27 s SER 5 N 0.00 2.30 0.05 1.61 1.04 -1.26 -4.95 113.70 112.49 1v27 s SER 5 Ca 0.00 -1.20 0.00 0.00 0.48 0.00 0.00 55.95 55.23 1v27 s SER 5 Cb 0.00 -0.08 0.00 0.00 0.10 0.00 0.00 66.02 66.04 1v27 s SER 5 CO 0.00 -0.42 0.00 -1.20 0.98 0.00 0.00 173.24 172.60 1v27 n SER 6 N -0.49 -0.44 0.00 7.02 7.64 -1.26 -5.07 113.62 121.01 1v27 n SER 6 Ca -0.05 0.10 0.00 0.00 1.01 0.00 0.00 58.87 59.92 1v27 n SER 6 Cb 0.63 0.82 0.00 0.00 -1.01 0.00 0.00 64.21 64.66 1v27 n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1v27 n GLY 7 N -1.46 -1.32 0.00 0.23 0.00 -1.26 -4.95 105.19 96.43 1v27 n GLY 7 Ca 0.00 -1.39 0.00 0.00 0.00 0.00 0.00 46.02 44.63 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 -0.32 4.16 2.83 -0.02 0.00 -1.25 -4.87 105.19 105.72 1v27 n GLY 8 Ca 0.00 -0.45 -0.17 0.00 0.00 0.00 0.00 46.02 45.40 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 3.44 0.33 -0.07 1.61 -0.21 -1.12 -2.31 119.66 121.33 1v27 s GLN 9 Ca 0.00 0.05 0.03 0.00 0.02 0.00 0.00 55.36 55.45 1v27 s GLN 9 Cb 0.00 -0.49 -0.02 0.00 1.00 0.00 0.00 33.01 33.50 1v27 s GLN 9 CO 0.00 -0.12 -0.14 -1.17 -2.12 0.00 0.00 175.29 171.74 1v27 s LEU 10 N 0.93 2.71 -0.33 2.90 0.20 -0.70 -1.47 118.68 122.93 1v27 s LEU 10 Ca -0.10 -0.24 -0.13 0.00 0.69 0.00 0.00 54.13 54.35 1v27 s LEU 10 Cb -0.13 -1.57 -0.02 0.00 -0.43 0.00 0.00 46.19 44.04 1v27 s LEU 10 CO -0.01 0.29 0.24 -0.44 -0.29 0.00 0.00 176.35 176.13 1v27 s SER 11 N -0.38 6.06 -0.05 3.68 0.01 0.11 -0.57 113.70 122.55 1v27 s SER 11 Ca 0.04 -0.36 0.01 0.00 1.31 0.00 0.00 55.95 56.96 1v27 s SER 11 Cb -0.12 -2.14 0.02 0.00 0.21 0.00 0.00 66.02 63.99 1v27 s SER 11 CO 0.02 -0.21 -0.08 -0.63 0.41 0.00 0.00 173.24 172.75 1v27 s ILE 12 N 1.74 0.78 -0.33 1.44 1.01 -1.15 -1.74 121.20 122.95 1v27 s ILE 12 Ca 0.06 -0.27 -0.10 0.00 0.00 0.00 0.00 60.65 60.35 1v27 s ILE 12 Cb -0.17 -0.76 0.01 0.00 0.01 0.00 0.00 42.46 41.55 1v27 s ILE 12 CO 0.11 0.28 0.16 -0.75 0.00 0.00 0.00 174.94 174.73 1v27 s LYS 13 N 0.83 3.15 0.10 2.79 2.20 0.94 -3.82 119.74 125.92 1v27 s LYS 13 Ca -0.12 -0.85 0.03 0.00 -0.36 0.00 0.00 55.97 54.67 1v27 s LYS 13 Cb -0.15 -3.58 -0.04 0.00 -1.51 0.00 0.00 37.83 32.55 1v27 s LYS 13 CO 0.01 -0.50 0.10 -0.51 -0.36 0.00 0.00 175.35 174.09 1v27 s LEU 14 N 1.58 3.85 -0.08 5.43 1.43 -1.26 0.12 118.68 129.75 1v27 s LEU 14 Ca 0.03 -0.01 -0.29 0.00 -1.03 0.00 0.00 54.13 52.84 1v27 s LEU 14 Cb -0.18 -2.51 0.07 0.00 0.03 0.00 0.00 46.19 43.60 1v27 s LEU 14 CO 0.06 0.15 0.65 0.86 0.23 0.00 0.00 176.35 178.30 1v27 s TRP 15 N -1.48 -0.64 -0.08 0.29 -0.11 -0.37 -2.84 118.94 113.72 1v27 s TRP 15 Ca 0.30 1.17 0.01 0.00 1.22 0.00 0.00 56.10 58.79 1v27 s TRP 15 Cb -0.12 0.36 -0.03 0.00 -1.50 0.00 0.00 33.47 32.19 1v27 s TRP 15 CO 0.23 -0.56 -0.08 0.12 -4.62 0.00 0.00 176.95 172.04 1v27 s PHE 16 N -0.97 2.90 -0.32 5.86 5.36 -1.26 0.21 117.98 129.76 1v27 s PHE 16 Ca -0.10 -0.08 -0.03 0.00 -0.96 0.00 0.00 56.93 55.76 1v27 s PHE 16 Cb -0.01 -1.73 0.06 0.00 -0.34 0.00 0.00 43.02 40.99 1v27 s PHE 16 CO 0.08 0.24 0.05 0.34 -1.46 0.00 0.00 175.22 174.46 1v27 s ASP 17 N -0.60 5.02 0.02 6.13 2.15 0.55 -4.88 116.67 125.07 1v27 s ASP 17 Ca 0.09 -1.34 0.16 0.00 0.43 0.00 0.00 52.55 51.89 1v27 s ASP 17 Cb -0.12 -1.76 -0.17 0.00 -0.30 0.00 0.00 42.92 40.58 1v27 s ASP 17 CO 0.02 -0.31 0.74 2.29 -0.17 0.00 0.00 175.17 177.74 1v27 n LYS 18 N 4.65 0.63 0.32 4.34 2.85 -1.26 0.17 118.16 129.86 1v27 n LYS 18 Ca -0.12 0.22 -0.18 0.00 -1.05 0.00 0.00 58.31 57.19 1v27 n LYS 18 Cb 0.43 -1.78 -0.09 0.00 -0.65 0.00 0.00 35.03 32.93 1v27 n LYS 18 CO 0.00 0.00 0.00 -0.39 -0.05 0.00 0.00 177.40 176.96 1v27 h VAL 19 N 0.00 0.00 -0.21 0.58 -1.51 -1.94 -2.93 116.25 110.24 1v27 h VAL 19 Ca -0.21 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.26 1v27 h VAL 19 Cb 1.70 0.00 0.00 0.00 -2.13 0.00 0.00 31.29 30.86 1v27 h VAL 19 CO 0.05 0.00 0.00 0.61 -1.23 0.00 0.00 177.57 177.00 1v27 n GLY 20 N -1.56 1.17 3.22 5.19 0.00 -1.26 -4.98 105.19 106.97 1v27 n GLY 20 Ca -0.12 -0.66 -0.11 0.00 0.00 0.00 0.00 46.02 45.13 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 1.20 -2.61 -4.11 1.61 -0.00 -0.55 -4.80 115.22 105.95 1v27 n HIS 21 Ca 0.17 0.93 -0.08 0.00 -0.00 0.00 0.00 57.72 58.74 1v27 n HIS 21 Cb 0.55 -4.05 -0.10 0.00 -0.00 0.00 0.00 29.99 26.39 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 -4.01 0.67 -0.21 -0.41 -0.21 0.45 0.61 119.66 116.55 1v27 s GLN 22 Ca 0.29 -1.25 -0.05 0.00 0.02 0.00 0.00 55.36 54.37 1v27 s GLN 22 Cb -0.04 0.09 -0.02 0.00 1.00 0.00 0.00 33.01 34.04 1v27 s GLN 22 CO 0.75 -0.08 -0.02 -1.17 -2.12 0.00 0.00 175.29 172.65 1v27 s LEU 23 N -2.95 3.08 0.14 2.90 2.96 0.30 0.21 118.68 125.31 1v27 s LEU 23 Ca 0.08 -0.30 -0.08 0.00 -0.22 0.00 0.00 54.13 53.62 1v27 s LEU 23 Cb 0.07 -1.79 -0.06 0.00 0.50 0.00 0.00 46.19 44.92 1v27 s LEU 23 CO -0.08 0.02 0.43 -0.63 -1.32 0.00 0.00 176.35 174.76 1v27 s ILE 24 N 1.27 5.08 -0.29 6.68 1.09 0.58 0.32 121.20 135.93 1v27 s ILE 24 Ca 0.04 0.30 0.01 0.00 -1.10 0.00 0.00 60.65 59.90 1v27 s ILE 24 Cb -0.14 -3.63 0.19 0.00 -1.06 0.00 0.00 42.46 37.82 1v27 s ILE 24 CO -0.00 0.11 0.67 0.54 -0.10 0.00 0.00 174.94 176.16 1v27 s VAL 25 N -1.59 -0.88 -0.20 2.92 0.11 0.61 -1.23 120.40 120.14 1v27 s VAL 25 Ca 0.39 0.00 -0.09 0.00 -2.93 0.00 0.00 61.98 59.35 1v27 s VAL 25 Cb -0.13 -0.92 -0.05 0.00 -1.53 0.00 0.00 36.38 33.76 1v27 s VAL 25 CO 0.21 0.00 0.11 -0.89 -3.33 0.00 0.00 175.10 171.21 1v27 s THR 26 N 2.86 5.18 -0.79 5.04 2.01 0.32 -1.77 115.64 128.49 1v27 s THR 26 Ca 0.14 0.11 -0.18 0.00 0.31 0.00 0.00 61.69 62.07 1v27 s THR 26 Cb -0.11 -3.37 0.13 0.00 0.01 0.00 0.00 72.50 69.17 1v27 s THR 26 CO -0.23 0.43 0.93 -0.63 -0.69 0.00 0.00 174.62 174.43 1v27 s ILE 27 N 0.52 4.87 0.00 1.82 -1.09 -1.19 -0.04 121.20 126.10 1v27 s ILE 27 Ca 0.06 -1.46 0.00 0.00 -2.23 0.00 0.00 60.65 57.02 1v27 s ILE 27 Cb -0.12 -4.64 0.00 0.00 -1.58 0.00 0.00 42.46 36.12 1v27 s ILE 27 CO 0.00 -1.31 0.00 0.18 -1.23 0.00 0.00 174.94 172.58 1v27 n LEU 28 N 6.13 0.00 -3.84 2.97 4.77 -0.71 0.15 117.00 126.48 1v27 n LEU 28 Ca 0.10 0.00 -0.08 0.00 -0.03 0.00 0.00 56.01 56.00 1v27 n LEU 28 Cb 0.47 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.53 1v27 n LEU 28 CO 0.51 0.00 0.41 -0.83 -1.33 0.00 0.00 177.39 176.15 1v27 s GLY 29 N 0.00 -0.05 0.29 -0.72 0.00 -1.16 0.67 107.32 106.35 1v27 s GLY 29 Ca 0.00 -0.32 0.07 0.00 0.00 0.00 0.00 44.72 44.48 1v27 s GLY 29 CO 0.00 -0.15 0.22 0.00 0.00 0.00 0.00 173.10 173.17 1v27 s ALA 30 N -3.92 3.66 0.16 3.20 0.00 -0.49 -0.71 121.76 123.66 1v27 s ALA 30 Ca 0.12 -1.54 -0.11 0.00 0.00 0.00 0.00 51.96 50.42 1v27 s ALA 30 Cb -0.05 -1.20 0.00 0.00 0.00 0.00 0.00 23.12 21.88 1v27 s ALA 30 CO 0.05 0.15 0.33 -1.59 0.00 0.00 0.00 175.76 174.70 1v27 s LYS 31 N -3.89 1.17 -1.23 0.00 0.00 -0.54 -3.68 119.74 111.56 1v27 s LYS 31 Ca 0.36 -1.06 -0.11 0.00 0.00 0.00 0.00 55.97 55.16 1v27 s LYS 31 Cb -0.07 0.41 -0.01 0.00 0.00 0.00 0.00 37.83 38.17 1v27 s LYS 31 CO 0.25 -0.44 0.68 -0.25 0.00 0.00 0.00 175.35 175.59 1v27 n ASP 32 N -0.23 -3.32 -4.93 0.03 8.00 -1.26 -2.80 116.55 112.04 1v27 n ASP 32 Ca -0.09 -0.97 -0.26 0.00 0.71 0.00 0.00 54.79 54.18 1v27 n ASP 32 Cb 0.63 -3.48 -0.02 0.00 -0.02 0.00 0.00 41.12 38.23 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 -6.60 4.01 -0.14 0.64 1.02 -1.26 -3.96 118.68 112.40 1v27 s LEU 33 Ca 0.27 0.57 -0.29 0.00 0.02 0.00 0.00 54.13 54.69 1v27 s LEU 33 Cb -0.09 -3.42 -0.02 0.00 0.02 0.00 0.00 46.19 42.68 1v27 s LEU 33 CO 0.86 -0.27 1.26 -2.16 0.02 0.00 0.00 176.35 176.06 1v27 s PRO 34 N -4.04 4.25 0.41 1.29 0.04 -1.26 -5.02 135.00 130.67 1v27 s PRO 34 Ca 0.42 1.68 0.07 0.00 0.04 0.00 0.00 61.00 63.22 1v27 s PRO 34 Cb -0.10 -3.73 -0.05 0.00 0.04 0.00 0.00 34.50 30.66 1v27 s PRO 34 CO 0.34 -0.66 0.19 0.45 0.04 0.00 0.00 177.00 177.37 1v27 s SER 35 N 1.92 4.50 -0.12 6.66 0.15 -1.26 -4.96 113.70 120.58 1v27 s SER 35 Ca 0.56 -1.02 0.03 0.00 0.70 0.00 0.00 55.95 56.22 1v27 s SER 35 Cb -0.23 -0.51 0.00 0.00 -1.71 0.00 0.00 66.02 63.58 1v27 s SER 35 CO 0.17 -0.53 -0.23 -0.13 1.20 0.00 0.00 173.24 173.72 1v27 s ARG 36 N -3.92 3.04 0.00 5.44 3.00 -1.20 -5.04 118.95 120.26 1v27 s ARG 36 Ca 0.41 -0.87 0.00 0.00 0.00 0.00 0.00 55.73 55.28 1v27 s ARG 36 Cb 0.03 -2.36 0.00 0.00 0.00 0.00 0.00 34.95 32.61 1v27 s ARG 36 CO 0.23 0.10 0.78 -1.91 0.00 0.00 0.00 175.30 174.50 1v27 n GLU 37 N 3.75 0.00 -0.97 3.54 2.13 -1.26 -3.06 120.64 124.76 1v27 n GLU 37 Ca -0.19 0.62 -0.10 0.00 0.66 0.00 0.00 57.16 58.14 1v27 n GLU 37 Cb 0.52 -1.28 0.18 0.00 0.27 0.00 0.00 31.44 31.13 1v27 n GLU 37 CO 0.00 0.00 0.00 -3.47 -0.41 0.00 0.00 177.13 173.25 1v27 n ASP 38 N -1.87 3.01 -0.89 4.31 2.03 -1.26 -4.48 116.55 117.40 1v27 n ASP 38 Ca 0.00 -3.76 0.02 0.00 0.52 0.00 0.00 54.79 51.56 1v27 n ASP 38 Cb 0.00 -0.68 0.17 0.00 -0.72 0.00 0.00 41.12 39.89 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 -1.11 5.00 0.96 0.27 0.00 -1.17 -5.11 105.19 104.04 1v27 n GLY 39 Ca 0.40 -1.47 0.11 0.00 0.00 0.00 0.00 46.02 45.07 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 -0.95 -1.75 0.00 1.61 3.00 -1.25 -4.64 116.66 112.68 1v27 n ARG 40 Ca 0.21 1.25 0.00 0.00 -0.01 0.00 0.00 57.85 59.30 1v27 n ARG 40 Cb 0.76 -2.24 0.00 0.00 0.00 0.00 0.00 32.46 30.98 1v27 n ARG 40 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.63 177.28 1v27 n PRO 41 N -3.04 0.00 0.00 5.56 -0.04 -1.26 -3.28 135.00 132.94 1v27 n PRO 41 Ca -0.01 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.45 1v27 n PRO 41 Cb 0.60 -0.07 0.00 0.00 -0.04 0.00 0.00 33.50 34.00 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 -3.23 -3.91 0.54 1.85 -1.26 -4.56 116.66 106.09 1v27 n ARG 42 Ca 0.00 0.00 -0.29 0.00 -1.00 0.00 0.00 57.85 56.56 1v27 n ARG 42 Cb 0.00 0.00 -0.13 0.00 -1.05 0.00 0.00 32.46 31.28 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 0.00 4.54 0.60 2.89 0.01 -1.26 -1.60 114.94 120.13 1v27 s ASN 43 Ca 0.00 -3.46 -0.15 0.00 -0.71 0.00 0.00 52.86 48.54 1v27 s ASN 43 Cb 0.00 -1.61 -0.03 0.00 0.41 0.00 0.00 41.25 40.01 1v27 s ASN 43 CO 0.00 -0.15 1.05 -2.16 -1.51 0.00 0.00 177.10 174.33 1v27 s PRO 44 N -0.90 3.33 -0.30 -0.60 0.04 -1.24 -1.25 135.00 134.07 1v27 s PRO 44 Ca 0.21 1.14 -0.16 0.00 0.04 0.00 0.00 61.00 62.23 1v27 s PRO 44 Cb -0.14 -2.04 0.17 0.00 0.04 0.00 0.00 34.50 32.54 1v27 s PRO 44 CO -0.09 -0.80 1.09 1.52 0.04 0.00 0.00 177.00 178.76 1v27 s TYR 45 N -2.57 -0.44 0.74 0.56 -0.85 -0.48 -2.95 117.35 111.35 1v27 s TYR 45 Ca 0.62 0.79 -0.11 0.00 -0.52 0.00 0.00 57.07 57.86 1v27 s TYR 45 Cb -0.15 0.27 0.03 0.00 0.38 0.00 0.00 41.96 42.49 1v27 s TYR 45 CO 0.39 -0.22 1.07 0.08 -1.52 0.00 0.00 175.55 175.36 1v27 s VAL 46 N 2.03 3.68 -0.23 -3.49 1.01 -1.26 -2.69 120.40 119.44 1v27 s VAL 46 Ca -0.03 0.54 -0.03 0.00 0.00 0.00 0.00 61.98 62.46 1v27 s VAL 46 Cb -0.04 -3.23 0.12 0.00 0.00 0.00 0.00 36.38 33.23 1v27 s VAL 46 CO -0.16 -0.71 0.34 -0.75 0.00 0.00 0.00 175.10 173.82 1v27 s LYS 47 N -5.03 0.31 0.35 2.72 2.20 -0.29 -3.15 119.74 116.85 1v27 s LYS 47 Ca 0.59 0.50 -0.04 0.00 -0.36 0.00 0.00 55.97 56.67 1v27 s LYS 47 Cb -0.15 -0.57 -0.04 0.00 -1.51 0.00 0.00 37.83 35.56 1v27 s LYS 47 CO 0.55 -0.61 0.61 0.42 -0.36 0.00 0.00 175.35 175.97 1v27 s ILE 48 N 2.50 5.00 -0.31 5.43 1.01 -0.95 -2.20 121.20 131.69 1v27 s ILE 48 Ca 0.10 -0.01 0.04 0.00 0.00 0.00 0.00 60.65 60.79 1v27 s ILE 48 Cb -0.15 -3.79 0.18 0.00 0.01 0.00 0.00 42.46 38.70 1v27 s ILE 48 CO -0.15 -0.50 0.49 -0.31 0.00 0.00 0.00 174.94 174.47 1v27 s TYR 49 N -2.30 -1.31 -0.95 3.97 2.02 -1.13 -3.64 117.35 114.02 1v27 s TYR 49 Ca 0.44 0.47 -0.24 0.00 -0.37 0.00 0.00 57.07 57.37 1v27 s TYR 49 Cb -0.10 0.03 -0.06 0.00 -0.40 0.00 0.00 41.96 41.42 1v27 s TYR 49 CO 0.34 -1.04 1.98 0.12 -1.57 0.00 0.00 175.55 175.38 1v27 s PHE 50 N 2.48 1.78 0.84 2.71 5.36 -1.23 -3.17 117.98 126.75 1v27 s PHE 50 Ca 0.11 0.72 -0.14 0.00 -0.96 0.00 0.00 56.93 56.65 1v27 s PHE 50 Cb -0.11 -3.98 -0.00 0.00 -0.34 0.00 0.00 43.02 38.59 1v27 s PHE 50 CO -0.24 -1.62 0.46 1.28 -1.46 0.00 0.00 175.22 173.64 1v27 n LEU 51 N 14.46 0.31 0.24 6.12 4.32 -1.07 -2.43 117.00 138.95 1v27 n LEU 51 Ca 0.41 0.45 0.15 0.00 -0.02 0.00 0.00 56.01 57.00 1v27 n LEU 51 Cb 0.47 -1.21 0.43 0.00 -1.62 0.00 0.00 43.42 41.49 1v27 n LEU 51 CO 0.61 -3.38 0.90 1.55 -1.22 0.00 0.00 177.39 175.85 1v27 h PRO 52 N -0.99 0.00 -6.02 3.23 0.13 -1.91 -3.39 132.00 123.05 1v27 h PRO 52 Ca -0.44 0.00 -0.72 0.00 -0.87 0.00 0.00 66.00 63.96 1v27 h PRO 52 Cb 1.31 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.42 1v27 h PRO 52 CO 0.38 0.00 1.27 -0.25 -0.23 0.00 0.00 178.00 179.17 1v27 n ASP 53 N -3.06 1.68 -3.00 1.44 8.00 -1.02 -4.83 116.55 115.76 1v27 n ASP 53 Ca 0.02 0.64 -0.16 0.00 0.71 0.00 0.00 54.79 56.00 1v27 n ASP 53 Cb 0.41 -1.11 -0.02 0.00 -0.02 0.00 0.00 41.12 40.39 1v27 n ASP 53 CO 0.00 0.00 0.00 -1.14 -0.39 0.00 0.00 177.20 175.67 1v27 n ARG 54 N 7.34 0.67 0.00 -1.24 0.63 -1.26 -3.84 116.66 118.95 1v27 n ARG 54 Ca 0.43 -2.52 0.00 0.00 -0.92 0.00 0.00 57.85 54.84 1v27 n ARG 54 Cb 0.11 -1.38 0.00 0.00 0.45 0.00 0.00 32.46 31.64 1v27 n ARG 54 CO 0.00 0.00 0.00 0.43 -2.51 0.00 0.00 177.63 175.55 1v27 n SER 55 N 1.79 0.00 0.00 6.15 7.64 -1.26 -5.03 113.62 122.91 1v27 n SER 55 Ca 0.17 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.05 1v27 n SER 55 Cb 0.57 0.20 0.00 0.00 -1.01 0.00 0.00 64.21 63.97 1v27 n SER 55 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1v27 n ASP 56 N -1.91 0.00 -0.27 6.43 -0.08 -1.26 -4.90 116.55 114.55 1v27 n ASP 56 Ca 0.00 0.00 -0.07 0.00 -1.51 0.00 0.00 54.79 53.21 1v27 n ASP 56 Cb 0.00 0.00 -0.07 0.00 2.34 0.00 0.00 41.12 43.39 1v27 n ASP 56 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 1v27 n LYS 57 N -0.80 -0.29 -2.22 -0.67 5.02 -1.26 -0.61 118.16 117.33 1v27 n LYS 57 Ca 0.00 1.23 -0.33 0.00 -2.02 0.00 0.00 58.31 57.20 1v27 n LYS 57 Cb 0.00 -1.82 0.02 0.00 -0.02 0.00 0.00 35.03 33.21 1v27 n LYS 57 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1v27 n ASN 58 N -4.51 5.94 -4.33 4.39 3.02 -1.26 -4.92 115.26 113.59 1v27 n ASN 58 Ca 0.01 -3.77 -0.47 0.00 -0.03 0.00 0.00 54.58 50.33 1v27 n ASN 58 Cb 0.17 -0.72 -0.02 0.00 -0.61 0.00 0.00 39.78 38.60 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 -3.77 3.71 -0.20 3.52 2.20 0.22 -3.51 119.74 121.91 1v27 s LYS 59 Ca 0.50 -2.61 0.01 0.00 -0.36 0.00 0.00 55.97 53.51 1v27 s LYS 59 Cb 0.42 -4.45 0.04 0.00 -1.51 0.00 0.00 37.83 32.33 1v27 s LYS 59 CO -0.28 -1.28 -0.13 1.03 -0.36 0.00 0.00 175.35 174.34 1v27 s ARG 60 N -0.12 2.26 0.26 4.03 1.81 -1.24 -4.96 118.95 120.98 1v27 s ARG 60 Ca 0.20 -0.88 0.08 0.00 -1.72 0.00 0.00 55.73 53.41 1v27 s ARG 60 Cb -0.10 -2.48 -0.05 0.00 -0.45 0.00 0.00 34.95 31.87 1v27 s ARG 60 CO -0.09 -0.39 -0.11 -0.98 -0.68 0.00 0.00 175.30 173.06 1v27 s ARG 61 N 1.34 1.50 0.70 3.54 3.03 -1.26 -2.23 118.95 125.58 1v27 s ARG 61 Ca -0.01 -1.72 -0.10 0.00 2.03 0.00 0.00 55.73 55.93 1v27 s ARG 61 Cb -0.16 -1.25 0.03 0.00 -1.03 0.00 0.00 34.95 32.54 1v27 s ARG 61 CO -0.09 0.13 1.07 0.95 -1.13 0.00 0.00 175.30 176.23 1v27 s THR 62 N -2.91 3.13 0.60 4.99 -4.23 -1.19 -5.01 115.64 111.02 1v27 s THR 62 Ca 0.27 0.22 -0.20 0.00 -1.18 0.00 0.00 61.69 60.81 1v27 s THR 62 Cb 0.01 -3.34 -0.03 0.00 1.34 0.00 0.00 72.50 70.48 1v27 s THR 62 CO 0.11 -0.42 1.33 2.29 -0.54 0.00 0.00 174.62 177.39 1v27 n LYS 63 N -2.97 1.39 -2.64 3.99 2.85 -1.26 -4.75 118.16 114.77 1v27 n LYS 63 Ca 0.07 0.53 -0.43 0.00 -1.05 0.00 0.00 58.31 57.42 1v27 n LYS 63 Cb 0.58 -2.56 -0.02 0.00 -0.65 0.00 0.00 35.03 32.38 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 -1.34 4.33 0.24 0.58 2.01 -1.26 -4.83 115.64 115.38 1v27 s THR 64 Ca 0.78 1.32 -0.26 0.00 0.31 0.00 0.00 61.69 63.84 1v27 s THR 64 Cb -0.40 -4.52 -0.09 0.00 0.01 0.00 0.00 72.50 67.50 1v27 s THR 64 CO 0.44 -0.82 0.87 -0.69 -0.69 0.00 0.00 174.62 173.72 1v27 s VAL 65 N 4.12 4.27 -0.17 3.82 1.01 -1.15 -5.04 120.40 127.26 1v27 s VAL 65 Ca 0.46 1.79 -0.06 0.00 0.00 0.00 0.00 61.98 64.17 1v27 s VAL 65 Cb -0.09 -4.11 -0.03 0.00 0.00 0.00 0.00 36.38 32.15 1v27 s VAL 65 CO 0.26 0.35 0.02 -0.54 0.00 0.00 0.00 175.10 175.19 1v27 s LYS 66 N -1.57 3.82 -0.05 2.72 -0.14 -1.26 -3.71 119.74 119.56 1v27 s LYS 66 Ca 0.43 -0.42 -0.01 0.00 -1.36 0.00 0.00 55.97 54.61 1v27 s LYS 66 Cb -0.21 -3.08 0.00 0.00 -1.68 0.00 0.00 37.83 32.86 1v27 s LYS 66 CO 0.26 0.28 0.01 1.63 -0.76 0.00 0.00 175.35 176.77 1v27 n LYS 67 N 3.48 -1.16 -3.25 1.68 5.02 -0.62 -5.01 118.16 118.30 1v27 n LYS 67 Ca -0.17 1.28 0.03 0.00 -2.02 0.00 0.00 58.31 57.43 1v27 n LYS 67 Cb 0.52 -1.67 -0.04 0.00 -0.02 0.00 0.00 35.03 33.82 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 -0.79 -0.21 -0.42 -0.18 -1.32 -1.20 -4.96 115.64 106.56 1v27 s THR 68 Ca -0.02 0.00 0.23 0.00 -1.21 0.00 0.00 61.69 60.69 1v27 s THR 68 Cb 0.00 -1.00 0.29 0.00 -1.51 0.00 0.00 72.50 70.28 1v27 s THR 68 CO 0.14 0.00 1.54 -0.07 -2.21 0.00 0.00 174.62 174.01 1v27 h LEU 69 N 7.24 0.00 -6.87 9.08 3.38 -1.95 -3.39 115.31 122.80 1v27 h LEU 69 Ca -0.14 -0.00 -0.61 0.00 0.09 0.00 0.00 57.88 57.22 1v27 h LEU 69 Cb 1.13 0.00 -0.40 0.00 0.09 0.00 0.00 40.66 41.48 1v27 h LEU 69 CO 0.06 0.00 -0.75 -1.61 0.09 0.00 0.00 178.44 176.22 1v27 s GLU 70 N -3.23 1.46 0.30 1.13 2.02 -1.26 -4.00 118.70 115.12 1v27 s GLU 70 Ca 0.06 -2.32 -0.28 0.00 0.02 0.00 0.00 54.97 52.44 1v27 s GLU 70 Cb 0.06 -2.37 -0.09 0.00 0.10 0.00 0.00 34.13 31.83 1v27 s GLU 70 CO 0.68 -1.24 1.08 -1.25 0.02 0.00 0.00 175.26 174.55 1v27 s PRO 71 N -0.11 4.56 -0.35 0.39 0.04 -1.24 -4.81 135.00 133.48 1v27 s PRO 71 Ca 0.23 1.72 0.02 0.00 0.04 0.00 0.00 61.00 63.01 1v27 s PRO 71 Cb -0.14 -3.06 0.10 0.00 0.04 0.00 0.00 34.50 31.44 1v27 s PRO 71 CO -0.08 0.16 0.09 0.15 0.04 0.00 0.00 177.00 177.37 1v27 s LYS 72 N -1.64 1.23 -0.18 4.56 1.02 -1.26 -1.40 119.74 122.08 1v27 s LYS 72 Ca 0.47 -1.66 -0.11 0.00 0.02 0.00 0.00 55.97 54.69 1v27 s LYS 72 Cb -0.29 -2.73 -0.22 0.00 -0.52 0.00 0.00 37.83 34.06 1v27 s LYS 72 CO 0.38 -0.98 0.19 0.91 -0.92 0.00 0.00 175.35 174.92 1v27 n TRP 73 N 4.33 0.94 -4.17 3.18 8.01 0.21 -4.94 117.44 125.01 1v27 n TRP 73 Ca 0.02 0.27 -0.37 0.00 -1.31 0.00 0.00 57.50 56.12 1v27 n TRP 73 Cb 0.41 -1.11 -0.07 0.00 -2.01 0.00 0.00 31.31 28.53 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 -3.82 -1.64 -3.17 -0.99 3.02 0.41 -4.87 115.26 104.19 1v27 n ASN 74 Ca -0.36 -1.02 -0.14 0.00 -0.03 0.00 0.00 54.58 53.03 1v27 n ASN 74 Cb 0.92 -1.45 0.09 0.00 -0.61 0.00 0.00 39.78 38.73 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 -3.70 -0.26 -4.26 3.52 1.13 -1.13 -4.86 117.38 107.83 1v27 n GLN 75 Ca 0.10 -1.26 -0.19 0.00 -1.94 0.00 0.00 57.00 53.71 1v27 n GLN 75 Cb 0.43 -0.55 -0.15 0.00 0.11 0.00 0.00 30.24 30.07 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 -2.07 0.60 -0.06 5.09 2.01 -1.26 -3.14 115.64 116.81 1v27 s THR 76 Ca 0.38 -0.26 -0.02 0.00 0.31 0.00 0.00 61.69 62.10 1v27 s THR 76 Cb -0.01 -0.55 0.03 0.00 0.01 0.00 0.00 72.50 71.97 1v27 s THR 76 CO 0.26 0.20 0.04 -0.36 -0.69 0.00 0.00 174.62 174.07 1v27 s PHE 77 N 0.26 0.34 -0.07 4.92 0.08 -0.73 -4.97 117.98 117.81 1v27 s PHE 77 Ca -0.03 0.02 0.01 0.00 0.12 0.00 0.00 56.93 57.05 1v27 s PHE 77 Cb -0.08 -0.64 -0.03 0.00 -0.57 0.00 0.00 43.02 41.70 1v27 s PHE 77 CO 0.00 -0.27 -0.07 0.42 -0.10 0.00 0.00 175.22 175.19 1v27 s ILE 78 N 2.08 3.65 -0.12 0.64 1.01 -1.26 -0.28 121.20 126.92 1v27 s ILE 78 Ca 0.05 -0.50 -0.00 0.00 0.00 0.00 0.00 60.65 60.20 1v27 s ILE 78 Cb -0.12 -2.49 0.02 0.00 0.01 0.00 0.00 42.46 39.88 1v27 s ILE 78 CO -0.04 0.59 -0.08 -0.31 0.00 0.00 0.00 174.94 175.10 1v27 s TYR 79 N -0.73 1.55 0.10 3.97 2.02 0.15 -4.89 117.35 119.53 1v27 s TYR 79 Ca 0.11 -0.79 -0.07 0.00 -0.37 0.00 0.00 57.07 55.95 1v27 s TYR 79 Cb -0.11 -1.27 -0.01 0.00 -0.40 0.00 0.00 41.96 40.17 1v27 s TYR 79 CO 0.01 -0.53 0.17 -1.54 -1.57 0.00 0.00 175.55 172.10 1v27 s SER 80 N 1.69 0.17 0.34 2.29 1.04 -1.26 0.11 113.70 118.08 1v27 s SER 80 Ca 0.05 -0.79 -0.26 0.00 0.48 0.00 0.00 55.95 55.43 1v27 s SER 80 Cb -0.13 0.34 -0.09 0.00 0.10 0.00 0.00 66.02 66.24 1v27 s SER 80 CO -0.08 -0.75 1.06 -2.16 0.98 0.00 0.00 173.24 172.29 1v27 s PRO 81 N -3.91 4.39 -0.09 4.02 0.04 -1.26 -5.06 135.00 133.13 1v27 s PRO 81 Ca 0.09 1.63 -0.02 0.00 0.04 0.00 0.00 61.00 62.75 1v27 s PRO 81 Cb 0.05 -2.84 0.03 0.00 0.04 0.00 0.00 34.50 31.78 1v27 s PRO 81 CO -0.07 0.03 0.01 0.08 0.04 0.00 0.00 177.00 177.08 1v27 s VAL 82 N -1.43 0.37 0.25 -0.36 1.01 0.20 -4.95 120.40 115.49 1v27 s VAL 82 Ca 0.52 0.05 0.07 0.00 0.00 0.00 0.00 61.98 62.61 1v27 s VAL 82 Cb -0.26 -0.58 -0.04 0.00 0.00 0.00 0.00 36.38 35.50 1v27 s VAL 82 CO 0.33 0.20 0.20 -1.00 0.00 0.00 0.00 175.10 174.83 1v27 s HIS 83 N 1.97 3.12 -0.11 5.22 3.76 -1.26 -3.29 115.29 124.70 1v27 s HIS 83 Ca 0.04 -0.11 0.30 0.00 -0.15 0.00 0.00 55.06 55.14 1v27 s HIS 83 Cb -0.13 -1.41 1.01 0.00 1.11 0.00 0.00 32.58 33.17 1v27 s HIS 83 CO -0.06 0.52 1.85 -0.09 -0.85 0.00 0.00 174.74 176.11 1v27 h ARG 84 N 1.48 0.00 -0.00 1.40 9.65 -1.99 -2.39 114.38 122.53 1v27 h ARG 84 Ca -0.49 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.39 1v27 h ARG 84 Cb 1.24 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.82 1v27 h ARG 84 CO 0.61 0.00 -0.46 2.89 2.80 0.00 0.00 179.97 185.81 1v27 n ARG 85 N -3.04 0.11 0.01 0.20 -4.01 -1.26 -3.54 116.66 105.12 1v27 n ARG 85 Ca 0.02 -0.07 0.11 0.00 -1.04 0.00 0.00 57.85 56.88 1v27 n ARG 85 Cb 0.38 -1.50 0.10 0.00 -3.04 0.00 0.00 32.46 28.40 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 -1.39 0.08 -0.33 2.89 -0.58 -0.91 -4.14 120.64 116.25 1v27 n GLU 86 Ca 0.06 0.00 0.07 0.00 -0.42 0.00 0.00 57.16 56.88 1v27 n GLU 86 Cb 0.34 -1.53 0.26 0.00 -0.57 0.00 0.00 31.44 29.94 1v27 n GLU 86 CO 0.00 0.00 0.00 0.74 -0.48 0.00 0.00 177.13 177.39 1v27 h PHE 87 N 0.00 1.07 -0.02 -0.32 -1.00 -1.59 0.64 116.94 115.72 1v27 h PHE 87 Ca 0.00 0.03 0.00 0.00 2.81 0.00 0.00 57.97 60.81 1v27 h PHE 87 Cb 0.56 -0.34 0.00 0.00 3.61 0.00 0.00 35.95 39.78 1v27 h PHE 87 CO 0.00 0.45 0.00 2.89 -1.61 0.00 0.00 178.31 180.04 1v27 n ARG 88 N -4.58 1.24 -0.01 1.51 1.85 -1.26 -3.09 116.66 112.32 1v27 n ARG 88 Ca 0.17 -0.35 0.08 0.00 -1.00 0.00 0.00 57.85 56.75 1v27 n ARG 88 Cb 0.34 -1.46 -0.13 0.00 -1.05 0.00 0.00 32.46 30.17 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 -0.54 0.54 -3.85 2.89 1.02 0.20 -4.99 120.64 115.90 1v27 n GLU 89 Ca 0.21 -0.14 -0.12 0.00 -0.02 0.00 0.00 57.16 57.09 1v27 n GLU 89 Cb 0.19 -1.39 -0.10 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 -3.11 0.46 0.10 3.49 0.52 0.25 -4.92 118.95 115.75 1v27 s ARG 90 Ca -0.06 -0.27 0.05 0.00 -0.52 0.00 0.00 55.73 54.93 1v27 s ARG 90 Cb 0.10 0.20 -0.03 0.00 0.52 0.00 0.00 34.95 35.74 1v27 s ARG 90 CO 0.68 -0.11 -0.12 1.41 0.02 0.00 0.00 175.30 177.18 1v27 s MET 91 N -1.14 0.88 0.13 3.54 -2.45 -1.26 -4.26 119.30 114.75 1v27 s MET 91 Ca -0.12 -1.11 -0.09 0.00 -1.25 0.00 0.00 55.69 53.12 1v27 s MET 91 Cb -0.06 -0.71 -0.06 0.00 1.25 0.00 0.00 34.83 35.24 1v27 s MET 91 CO 0.02 0.13 0.43 -0.51 1.05 0.00 0.00 175.02 176.14 1v27 s LEU 92 N -2.23 4.29 -0.28 4.11 2.01 -0.76 -2.60 118.68 123.22 1v27 s LEU 92 Ca 0.04 0.77 -0.03 0.00 0.01 0.00 0.00 54.13 54.93 1v27 s LEU 92 Cb -0.06 -3.24 0.09 0.00 0.01 0.00 0.00 46.19 43.00 1v27 s LEU 92 CO 0.02 0.08 0.10 -0.70 1.01 0.00 0.00 176.35 176.86 1v27 s GLU 93 N -2.32 0.42 -0.09 1.70 2.12 -1.19 -2.25 118.70 117.09 1v27 s GLU 93 Ca 0.39 -0.67 -0.08 0.00 0.36 0.00 0.00 54.97 54.96 1v27 s GLU 93 Cb -0.13 -1.62 -0.04 0.00 0.26 0.00 0.00 34.13 32.60 1v27 s GLU 93 CO 0.21 -0.93 0.19 0.42 -0.54 0.00 0.00 175.26 174.60 1v27 s ILE 94 N 1.91 5.42 -0.02 -3.70 1.09 0.65 -2.82 121.20 123.73 1v27 s ILE 94 Ca 0.07 0.30 -0.04 0.00 -1.10 0.00 0.00 60.65 59.88 1v27 s ILE 94 Cb -0.17 -3.46 0.00 0.00 -1.06 0.00 0.00 42.46 37.78 1v27 s ILE 94 CO -0.27 0.60 0.10 0.42 -0.10 0.00 0.00 174.94 175.69 1v27 s THR 95 N -1.06 0.04 -0.12 2.92 -4.23 -0.93 0.17 115.64 112.42 1v27 s THR 95 Ca 0.17 -0.32 -0.03 0.00 -1.18 0.00 0.00 61.69 60.34 1v27 s THR 95 Cb -0.13 -0.26 -0.03 0.00 1.34 0.00 0.00 72.50 73.42 1v27 s THR 95 CO 0.06 -0.17 -0.01 -0.22 -0.54 0.00 0.00 174.62 173.74 1v27 s LEU 96 N -0.55 3.45 0.12 4.79 2.96 -0.39 -1.13 118.68 127.92 1v27 s LEU 96 Ca -0.06 0.02 0.00 0.00 -0.22 0.00 0.00 54.13 53.86 1v27 s LEU 96 Cb -0.04 -1.81 -0.04 0.00 0.50 0.00 0.00 46.19 44.80 1v27 s LEU 96 CO 0.00 0.27 0.00 0.26 -1.32 0.00 0.00 176.35 175.56 1v27 s TRP 97 N -0.23 0.87 -0.35 5.38 0.52 -1.10 0.31 118.94 124.34 1v27 s TRP 97 Ca 0.05 -1.09 0.02 0.00 0.02 0.00 0.00 56.10 55.11 1v27 s TRP 97 Cb -0.13 -0.52 0.10 0.00 -1.15 0.00 0.00 33.47 31.78 1v27 s TRP 97 CO 0.02 -0.35 0.10 0.34 0.02 0.00 0.00 176.95 177.08 1v27 s ASP 98 N -3.05 4.42 -0.55 2.95 2.15 -1.26 -1.38 116.67 119.96 1v27 s ASP 98 Ca 0.18 -2.10 -0.41 0.00 0.43 0.00 0.00 52.55 50.65 1v27 s ASP 98 Cb 0.07 -1.35 -0.18 0.00 -0.30 0.00 0.00 42.92 41.16 1v27 s ASP 98 CO -0.02 -0.37 2.22 1.67 -0.17 0.00 0.00 175.17 178.50 1v27 n GLN 99 N 4.30 0.13 -4.13 4.34 0.00 -0.38 -4.45 117.38 117.19 1v27 n GLN 99 Ca 0.03 0.03 -0.23 0.00 -0.00 0.00 0.00 57.00 56.82 1v27 n GLN 99 Cb 0.41 -1.63 -0.06 0.00 0.00 0.00 0.00 30.24 28.96 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 8.23 0.47 -1.50 1.69 0.00 -1.26 -4.46 120.51 123.68 1v27 n ALA 100 Ca 0.55 -1.84 0.10 0.00 0.00 0.00 0.00 53.44 52.25 1v27 n ALA 100 Cb 0.01 1.18 -0.05 0.00 0.00 0.00 0.00 19.45 20.58 1v27 n ALA 100 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1v27 n ARG 101 N -0.86 -3.60 -2.14 0.00 3.00 -1.26 -4.49 116.66 107.30 1v27 n ARG 101 Ca -0.08 2.88 -0.40 0.00 -0.00 0.00 0.00 57.85 60.25 1v27 n ARG 101 Cb 0.54 -3.89 -0.01 0.00 0.00 0.00 0.00 32.46 29.09 1v27 n ARG 101 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 1v27 s VAL 102 N -4.83 2.80 0.42 5.15 0.11 -1.26 -4.75 120.40 118.04 1v27 s VAL 102 Ca 0.00 0.74 0.00 0.00 -2.93 0.00 0.00 61.98 59.79 1v27 s VAL 102 Cb 0.00 -3.44 0.00 0.00 -1.53 0.00 0.00 36.38 31.41 1v27 s VAL 102 CO 0.00 0.12 0.00 0.54 -3.33 0.00 0.00 175.10 172.43 1v27 n ARG 103 N 0.35 -2.92 -2.00 1.54 1.74 -1.26 -4.37 116.66 109.74 1v27 n ARG 103 Ca 0.03 2.12 -0.37 0.00 -0.77 0.00 0.00 57.85 58.85 1v27 n ARG 103 Cb 0.44 -3.53 -0.03 0.00 -1.02 0.00 0.00 32.46 28.31 1v27 n ARG 103 CO 0.00 0.00 0.00 -2.00 -1.52 0.00 0.00 177.63 174.11 1v27 s GLU 104 N -2.96 2.57 0.00 5.56 2.12 -1.26 -4.83 118.70 119.90 1v27 s GLU 104 Ca 0.00 0.59 0.00 0.00 0.36 0.00 0.00 54.97 55.92 1v27 s GLU 104 Cb 0.00 -4.47 0.00 0.00 0.26 0.00 0.00 34.13 29.92 1v27 s GLU 104 CO 0.00 -2.85 0.00 0.39 -0.54 0.00 0.00 175.26 172.26 1v27 n GLU 105 N 9.14 0.00 -2.28 4.30 1.02 -1.26 -5.13 120.64 126.44 1v27 n GLU 105 Ca 0.24 0.00 -0.00 0.00 -0.02 0.00 0.00 57.16 57.37 1v27 n GLU 105 Cb 0.52 0.00 -0.00 0.00 -0.02 0.00 0.00 31.44 31.94 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 -0.18 -4.88 -4.76 3.49 -0.58 -1.26 -4.38 120.64 108.09 1v27 n GLU 106 Ca 0.00 3.57 -0.33 0.00 -0.42 0.00 0.00 57.16 59.99 1v27 n GLU 106 Cb 0.00 -4.49 -0.16 0.00 -0.57 0.00 0.00 31.44 26.21 1v27 n GLU 106 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 1v27 s SER 107 N -0.57 3.25 0.31 1.62 1.04 -1.26 -3.98 113.70 114.10 1v27 s SER 107 Ca -0.01 -0.56 0.17 0.00 0.48 0.00 0.00 55.95 56.03 1v27 s SER 107 Cb 0.00 -1.47 0.12 0.00 0.10 0.00 0.00 66.02 64.77 1v27 s SER 107 CO 0.02 0.10 1.45 1.05 0.98 0.00 0.00 173.24 176.84 1v27 h GLU 108 N 7.17 0.00 -4.54 4.02 4.11 -1.90 -3.50 114.58 119.94 1v27 h GLU 108 Ca -0.29 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.14 1v27 h GLU 108 Cb 1.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.45 1v27 h GLU 108 CO 0.54 0.37 -0.80 0.34 0.07 0.00 0.00 179.01 179.53 1v27 n PHE 109 N -3.17 -3.95 -0.06 2.06 7.35 -1.26 -4.84 117.46 113.59 1v27 n PHE 109 Ca 0.02 2.35 -0.12 0.00 -0.76 0.00 0.00 57.45 58.95 1v27 n PHE 109 Cb 0.69 -3.27 -0.11 0.00 0.35 0.00 0.00 39.48 37.14 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 4.26 -0.01 0.00 -2.13 3.38 -0.46 -3.46 115.31 116.88 1v27 h LEU 110 Ca 0.00 -0.79 0.13 0.00 0.09 0.00 0.00 57.88 57.31 1v27 h LEU 110 Cb 0.00 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 1v27 h LEU 110 CO 0.00 0.87 0.40 0.61 0.09 0.00 0.00 178.44 180.41 1v27 n GLY 111 N 1.51 0.71 2.88 0.83 0.00 -0.98 -4.31 105.19 105.84 1v27 n GLY 111 Ca -0.08 -1.01 -0.13 0.00 0.00 0.00 0.00 46.02 44.80 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 -2.02 0.03 -0.18 1.61 -1.05 0.41 -1.26 118.70 116.24 1v27 s GLU 112 Ca 0.14 0.09 0.00 0.00 -0.15 0.00 0.00 54.97 55.05 1v27 s GLU 112 Cb -0.01 -0.04 0.04 0.00 -0.44 0.00 0.00 34.13 33.68 1v27 s GLU 112 CO 0.02 -0.04 -0.08 0.42 0.95 0.00 0.00 175.26 176.53 1v27 s ILE 113 N 0.26 1.40 -0.15 1.83 1.01 0.45 -1.76 121.20 124.23 1v27 s ILE 113 Ca -0.02 -0.83 -0.07 0.00 0.00 0.00 0.00 60.65 59.73 1v27 s ILE 113 Cb -0.03 -1.52 -0.04 0.00 0.01 0.00 0.00 42.46 40.88 1v27 s ILE 113 CO -0.01 0.16 0.10 -0.76 0.00 0.00 0.00 174.94 174.43 1v27 s LEU 114 N 1.51 4.08 -0.09 2.97 2.01 -1.26 -0.25 118.68 127.64 1v27 s LEU 114 Ca -0.00 0.27 -0.02 0.00 0.01 0.00 0.00 54.13 54.38 1v27 s LEU 114 Cb -0.16 -2.01 0.04 0.00 0.01 0.00 0.00 46.19 44.07 1v27 s LEU 114 CO -0.08 0.29 0.03 -0.63 1.01 0.00 0.00 176.35 176.97 1v27 s ILE 115 N -0.32 0.25 -0.42 -0.59 1.01 -0.95 -5.00 121.20 115.18 1v27 s ILE 115 Ca 0.10 0.05 -0.24 0.00 0.00 0.00 0.00 60.65 60.56 1v27 s ILE 115 Cb -0.12 -0.53 0.02 0.00 0.01 0.00 0.00 42.46 41.84 1v27 s ILE 115 CO 0.01 0.12 0.84 -1.61 0.00 0.00 0.00 174.94 174.30 1v27 s GLU 116 N 2.01 3.57 0.47 2.79 2.02 -1.26 -1.82 118.70 126.47 1v27 s GLU 116 Ca 0.04 0.14 0.32 0.00 0.02 0.00 0.00 54.97 55.48 1v27 s GLU 116 Cb -0.13 -3.89 1.43 0.00 0.10 0.00 0.00 34.13 31.64 1v27 s GLU 116 CO -0.06 -1.07 1.68 -0.07 0.02 0.00 0.00 175.26 175.76 1v27 h LEU 117 N 10.16 0.21 -0.11 1.80 3.38 -1.74 1.21 115.31 130.21 1v27 h LEU 117 Ca -0.24 0.08 0.04 0.00 0.09 0.00 0.00 57.88 57.85 1v27 h LEU 117 Cb 1.08 0.06 -0.05 0.00 0.09 0.00 0.00 40.66 41.85 1v27 h LEU 117 CO 0.97 -0.07 -0.20 -0.08 0.09 0.00 0.00 178.44 179.15 1v27 h GLU 118 N 0.12 -0.25 -0.41 1.13 4.81 -1.83 -2.52 114.58 115.64 1v27 h GLU 118 Ca 0.75 0.02 -0.19 0.00 -0.13 0.00 0.00 59.36 59.81 1v27 h GLU 118 Cb 2.48 0.06 -0.11 0.00 0.63 0.00 0.00 28.75 31.81 1v27 h GLU 118 CO -0.26 -0.17 0.01 0.25 -0.73 0.00 0.00 179.01 178.11 1v27 n THR 119 N -5.33 2.58 -2.54 0.32 -2.24 0.20 -4.97 114.28 102.30 1v27 n THR 119 Ca -0.03 -2.52 -0.43 0.00 -2.27 0.00 0.00 64.05 58.80 1v27 n THR 119 Cb 0.25 -0.33 -0.02 0.00 -2.10 0.00 0.00 70.33 68.13 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 -3.19 3.08 -0.66 6.98 0.00 0.36 -4.82 121.76 123.52 1v27 s ALA 120 Ca 0.46 -0.50 -0.26 0.00 0.00 0.00 0.00 51.96 51.65 1v27 s ALA 120 Cb 0.40 -3.95 -0.07 0.00 0.00 0.00 0.00 23.12 19.50 1v27 s ALA 120 CO 0.02 -2.41 2.22 -0.48 0.00 0.00 0.00 175.76 175.11 1v27 s LEU 121 N 4.83 3.20 -0.25 0.00 0.05 -1.26 -4.91 118.68 120.34 1v27 s LEU 121 Ca 0.50 0.37 -0.09 0.00 0.05 0.00 0.00 54.13 54.96 1v27 s LEU 121 Cb -0.08 -2.53 -0.04 0.00 -2.05 0.00 0.00 46.19 41.49 1v27 s LEU 121 CO 0.30 -3.03 0.11 -0.76 -0.55 0.00 0.00 176.35 172.43 1v27 s LEU 122 N 11.93 3.67 -0.08 1.48 1.43 -1.26 -4.72 118.68 131.12 1v27 s LEU 122 Ca 0.85 -0.12 0.03 0.00 -1.03 0.00 0.00 54.13 53.87 1v27 s LEU 122 Cb -0.13 -1.99 0.10 0.00 0.03 0.00 0.00 46.19 44.19 1v27 s LEU 122 CO 0.16 -0.02 0.74 -0.67 0.23 0.00 0.00 176.35 176.79 1v27 n ASP 123 N 4.85 -0.61 -3.99 2.29 -0.08 -1.21 -4.89 116.55 112.92 1v27 n ASP 123 Ca -0.15 -1.28 -0.32 0.00 -1.51 0.00 0.00 54.79 51.53 1v27 n ASP 123 Cb 0.52 0.24 -0.05 0.00 2.34 0.00 0.00 41.12 44.17 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 -0.37 -2.04 -4.34 1.67 2.03 -1.13 -4.89 116.55 107.49 1v27 n ASP 124 Ca -0.11 -0.79 -0.33 0.00 0.52 0.00 0.00 54.79 54.07 1v27 n ASP 124 Cb 0.58 -1.77 -0.15 0.00 -0.72 0.00 0.00 41.12 39.06 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 -6.64 3.34 -0.09 -0.67 2.02 -1.26 -5.01 118.70 110.38 1v27 s GLU 125 Ca 0.62 -0.70 -0.30 0.00 0.02 0.00 0.00 54.97 54.61 1v27 s GLU 125 Cb -0.36 -2.65 -0.03 0.00 0.10 0.00 0.00 34.13 31.20 1v27 s GLU 125 CO 0.76 0.14 1.24 -1.25 0.02 0.00 0.00 175.26 176.17 1v27 s PRO 126 N 0.54 4.30 0.10 0.39 0.04 -1.26 -4.53 135.00 134.58 1v27 s PRO 126 Ca -0.09 1.69 0.08 0.00 0.04 0.00 0.00 61.00 62.73 1v27 s PRO 126 Cb -0.16 -3.64 -0.03 0.00 0.04 0.00 0.00 34.50 30.71 1v27 s PRO 126 CO 0.04 -0.56 -0.20 -1.01 0.04 0.00 0.00 177.00 175.31 1v27 s HIS 127 N 2.72 1.75 -0.49 0.56 3.76 -1.25 -5.01 115.29 117.34 1v27 s HIS 127 Ca 0.56 -0.42 -0.17 0.00 -0.15 0.00 0.00 55.06 54.88 1v27 s HIS 127 Cb -0.24 -0.96 0.07 0.00 1.11 0.00 0.00 32.58 32.56 1v27 s HIS 127 CO 0.20 0.20 0.48 -1.58 -0.85 0.00 0.00 174.74 173.19 1v27 s TRP 128 N -1.19 3.17 -0.26 1.40 0.52 -1.26 -2.92 118.94 118.40 1v27 s TRP 128 Ca 0.06 -0.81 -0.15 0.00 0.02 0.00 0.00 56.10 55.22 1v27 s TRP 128 Cb -0.10 -3.33 -0.04 0.00 -1.15 0.00 0.00 33.47 28.86 1v27 s TRP 128 CO 0.04 -0.89 0.40 0.71 0.02 0.00 0.00 176.95 177.22 1v27 s TYR 129 N 2.00 3.27 0.47 -1.98 2.02 0.26 -4.84 117.35 118.55 1v27 s TYR 129 Ca 0.08 0.48 -0.24 0.00 -0.37 0.00 0.00 57.07 57.01 1v27 s TYR 129 Cb -0.23 -2.58 -0.07 0.00 -0.40 0.00 0.00 41.96 38.68 1v27 s TYR 129 CO 0.08 -0.20 1.42 0.15 -1.57 0.00 0.00 175.55 175.43 1v27 s LYS 130 N 1.96 3.55 0.14 -0.62 1.02 -1.26 -1.71 119.74 122.82 1v27 s LYS 130 Ca 0.16 2.39 -0.15 0.00 0.02 0.00 0.00 55.97 58.39 1v27 s LYS 130 Cb -0.16 -2.56 -0.07 0.00 -0.52 0.00 0.00 37.83 34.52 1v27 s LYS 130 CO 0.09 -0.91 0.56 -0.51 -0.92 0.00 0.00 175.35 173.66 1v27 s LEU 131 N -2.91 4.36 -0.19 3.17 1.43 -0.98 -4.81 118.68 118.76 1v27 s LEU 131 Ca 0.63 1.12 0.00 0.00 -1.03 0.00 0.00 54.13 54.86 1v27 s LEU 131 Cb -0.43 -3.24 0.02 0.00 0.03 0.00 0.00 46.19 42.57 1v27 s LEU 131 CO 0.55 0.12 -0.17 -1.10 0.23 0.00 0.00 176.35 175.98 1v27 s GLN 132 N -1.84 2.99 -0.63 1.70 -0.21 -0.72 -4.67 119.66 116.27 1v27 s GLN 132 Ca 0.37 -0.84 -0.07 0.00 0.02 0.00 0.00 55.36 54.84 1v27 s GLN 132 Cb -0.16 -2.65 0.16 0.00 1.00 0.00 0.00 33.01 31.37 1v27 s GLN 132 CO 0.19 -0.23 0.49 0.95 -2.12 0.00 0.00 175.29 174.57 1v27 s THR 133 N 1.30 4.32 -0.30 -0.19 -4.23 -1.26 -0.45 115.64 114.83 1v27 s THR 133 Ca 0.04 -2.49 -0.12 0.00 -1.18 0.00 0.00 61.69 57.94 1v27 s THR 133 Cb -0.14 -3.78 0.18 0.00 1.34 0.00 0.00 72.50 70.11 1v27 s THR 133 CO -0.11 -0.88 1.05 -2.28 -0.54 0.00 0.00 174.62 171.86 1v27 s HIS 134 N 0.42 -0.48 0.05 3.99 5.04 -1.26 -5.08 115.29 117.97 1v27 s HIS 134 Ca 0.14 0.36 -0.38 0.00 -1.54 0.00 0.00 55.06 53.64 1v27 s HIS 134 Cb -0.19 0.11 -0.19 0.00 0.04 0.00 0.00 32.58 32.35 1v27 s HIS 134 CO -0.04 -0.28 1.13 -0.25 -2.34 0.00 0.00 174.74 172.97 1v27 n ASP 135 N 5.25 0.53 -3.62 9.88 9.92 -1.26 -4.94 116.55 132.30 1v27 n ASP 135 Ca 0.03 1.14 -0.15 0.00 -0.53 0.00 0.00 54.79 55.29 1v27 n ASP 135 Cb 0.56 -1.02 -0.07 0.00 -0.64 0.00 0.00 41.12 39.95 1v27 n ASP 135 CO 0.00 0.00 0.00 -0.55 0.13 0.00 0.00 177.20 176.78 1v27 s SER 136 N 0.10 -0.43 0.38 -2.24 0.15 -1.26 -5.18 113.70 105.22 1v27 s SER 136 Ca 0.86 0.32 0.06 0.00 0.70 0.00 0.00 55.95 57.89 1v27 s SER 136 Cb -1.13 0.45 -0.07 0.00 -1.71 0.00 0.00 66.02 63.56 1v27 s SER 136 CO 0.53 -0.59 0.03 -0.83 1.20 0.00 0.00 173.24 173.58 1v27 s GLY 137 N -1.50 2.36 0.89 9.45 0.00 -1.26 -5.15 107.32 112.10 1v27 s GLY 137 Ca -0.10 -2.17 -0.15 0.00 0.00 0.00 0.00 44.72 42.30 1v27 s GLY 137 CO 0.04 -1.99 0.99 -1.55 0.00 0.00 0.00 173.10 170.58 1v27 n PRO 138 N -0.87 -1.88 -2.82 2.90 -0.04 -1.26 -5.08 135.00 125.96 1v27 n PRO 138 Ca -0.04 -1.55 -0.02 0.00 -0.04 0.00 0.00 63.50 61.86 1v27 n PRO 138 Cb 0.67 -1.22 0.01 0.00 -0.04 0.00 0.00 33.50 32.92 1v27 n PRO 138 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1v27 s SER 139 N -4.43 -0.87 0.00 3.54 0.01 -1.26 -5.11 113.70 105.58 1v27 s SER 139 Ca 0.59 -0.79 0.00 0.00 1.31 0.00 0.00 55.95 57.06 1v27 s SER 139 Cb -0.04 1.13 0.00 0.00 0.21 0.00 0.00 66.02 67.32 1v27 s SER 139 CO 0.43 -0.06 0.00 -0.24 0.41 0.00 0.00 173.24 173.79 1v27 n SER 140 N 3.28 0.00 0.00 2.44 2.88 -1.26 -5.37 113.62 115.59 1v27 n SER 140 Ca 0.12 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.66 1v27 n SER 140 Cb 0.60 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.06 1v27 n SER 140 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42