#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ub0 s ARG 2 N 0.00 3.78 0.01 2.12 1.81 -1.26 -4.95 118.95 120.46 1ub0 s ARG 2 Ca 0.00 0.37 0.07 0.00 -1.72 0.00 0.00 55.73 54.45 1ub0 s ARG 2 Cb 0.00 -2.49 -0.02 0.00 -0.45 0.00 0.00 34.95 31.99 1ub0 s ARG 2 CO 0.00 0.09 -0.23 0.08 -0.68 0.00 0.00 175.30 174.56 1ub0 s VAL 3 N -2.18 1.81 0.05 3.52 1.01 -1.26 -0.76 120.40 122.59 1ub0 s VAL 3 Ca 0.50 -1.10 0.03 0.00 0.00 0.00 0.00 61.98 61.40 1ub0 s VAL 3 Cb -0.10 -1.53 -0.03 0.00 0.00 0.00 0.00 36.38 34.72 1ub0 s VAL 3 CO 0.28 0.40 -0.10 0.00 0.00 0.00 0.00 175.10 175.67 1ub0 s ALA 4 N -0.65 0.78 -0.05 5.51 0.00 -0.55 -1.10 121.76 125.70 1ub0 s ALA 4 Ca 0.09 -0.85 0.06 0.00 0.00 0.00 0.00 51.96 51.26 1ub0 s ALA 4 Cb -0.09 -0.00 -0.02 0.00 0.00 0.00 0.00 23.12 23.01 1ub0 s ALA 4 CO 0.00 0.04 -0.24 -1.17 0.00 0.00 0.00 175.76 174.40 1ub0 s LEU 5 N -1.65 2.16 -0.11 0.00 2.96 -0.70 -1.25 118.68 120.09 1ub0 s LEU 5 Ca -0.07 -0.46 0.02 0.00 -0.22 0.00 0.00 54.13 53.40 1ub0 s LEU 5 Cb -0.10 -1.39 -0.01 0.00 0.50 0.00 0.00 46.19 45.19 1ub0 s LEU 5 CO 0.01 0.28 -0.19 0.28 -1.32 0.00 0.00 176.35 175.41 1ub0 s THR 6 N -0.34 2.55 -0.45 3.68 -1.32 -0.67 -1.24 115.64 117.85 1ub0 s THR 6 Ca 0.02 -0.85 -0.03 0.00 -1.21 0.00 0.00 61.69 59.63 1ub0 s THR 6 Cb -0.12 -2.02 0.12 0.00 -1.51 0.00 0.00 72.50 68.96 1ub0 s THR 6 CO 0.02 0.54 0.24 -0.63 -2.21 0.00 0.00 174.62 172.59 1ub0 s ILE 7 N 0.28 3.32 0.15 5.08 1.01 -0.09 -0.70 121.20 130.25 1ub0 s ILE 7 Ca -0.14 -2.25 -0.06 0.00 0.00 0.00 0.00 60.65 58.20 1ub0 s ILE 7 Cb -0.17 -3.26 0.02 0.00 0.01 0.00 0.00 42.46 39.07 1ub0 s ILE 7 CO 0.07 -0.73 0.32 0.00 0.00 0.00 0.00 174.94 174.60 1ub0 n ALA 8 N 4.35 -0.73 -2.30 9.38 0.00 -0.96 -0.43 120.51 129.82 1ub0 n ALA 8 Ca -0.00 -0.49 -0.26 0.00 0.00 0.00 0.00 53.44 52.69 1ub0 n ALA 8 Cb 0.41 0.38 0.00 0.00 0.00 0.00 0.00 19.45 20.24 1ub0 n ALA 8 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1ub0 s GLY 9 N -1.87 1.50 -0.18 0.00 0.00 -1.22 -1.48 107.32 104.07 1ub0 s GLY 9 Ca 0.06 -0.66 -0.15 0.00 0.00 0.00 0.00 44.72 43.98 1ub0 s GLY 9 CO 0.04 -0.49 0.34 -0.45 0.00 0.00 0.00 173.10 172.54 1ub0 s SER 10 N -4.14 6.42 -0.35 1.64 0.15 -0.31 -0.55 113.70 116.55 1ub0 s SER 10 Ca 0.48 0.49 -0.03 0.00 0.70 0.00 0.00 55.95 57.58 1ub0 s SER 10 Cb -0.10 -2.20 0.07 0.00 -1.71 0.00 0.00 66.02 62.08 1ub0 s SER 10 CO 0.43 0.01 0.10 -0.62 1.20 0.00 0.00 173.24 174.36 1ub0 s ASP 11 N 0.79 5.12 0.44 5.45 2.15 -1.26 -1.27 116.67 128.09 1ub0 s ASP 11 Ca 0.17 -1.54 0.15 0.00 0.43 0.00 0.00 52.55 51.76 1ub0 s ASP 11 Cb -0.14 -1.79 1.06 0.00 -0.30 0.00 0.00 42.92 41.75 1ub0 s ASP 11 CO 0.06 -0.39 1.97 0.77 -0.17 0.00 0.00 175.17 177.41 1ub0 h SER 12 N 8.07 0.34 0.47 -0.34 4.64 -1.74 -0.28 113.55 124.72 1ub0 h SER 12 Ca -0.18 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.15 1ub0 h SER 12 Cb 1.06 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 63.09 1ub0 h SER 12 CO 0.61 0.20 0.00 0.61 -0.87 0.00 0.00 176.83 177.38 1ub0 n GLY 13 N -1.53 -1.03 3.18 -0.77 0.00 -0.77 -4.89 105.19 99.39 1ub0 n GLY 13 Ca 0.11 0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.16 1ub0 n GLY 13 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ub0 n GLY 14 N -0.31 0.79 0.13 -0.02 0.00 -0.12 -4.89 105.19 100.77 1ub0 n GLY 14 Ca 0.02 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.09 1ub0 n GLY 14 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1ub0 h GLY 15 N 0.00 0.00 0.00 -0.02 0.00 -1.90 -3.34 103.07 97.80 1ub0 h GLY 15 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1ub0 h GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.54 1ub0 n ALA 16 N -2.25 0.00 -0.85 3.60 0.00 -1.26 -4.24 120.51 115.50 1ub0 n ALA 16 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 1ub0 n ALA 16 Cb 0.70 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.15 1ub0 n ALA 16 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ub0 n GLY 17 N 0.00 0.62 0.24 0.00 0.00 -1.26 -2.37 105.19 102.42 1ub0 n GLY 17 Ca 0.00 -0.87 0.10 0.00 0.00 0.00 0.00 46.02 45.25 1ub0 n GLY 17 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 1ub0 h VAL 18 N 0.00 0.75 -0.24 1.61 -1.51 -1.12 -2.26 116.25 113.49 1ub0 h VAL 18 Ca 0.00 -0.68 0.01 0.00 -1.23 0.00 0.00 66.70 64.80 1ub0 h VAL 18 Cb 0.00 1.41 -0.02 0.00 -2.13 0.00 0.00 31.29 30.56 1ub0 h VAL 18 CO 0.00 0.17 0.12 1.56 -1.23 0.00 0.00 177.57 178.19 1ub0 h GLN 19 N 0.00 0.26 -0.32 5.19 7.50 -1.81 0.48 115.11 126.41 1ub0 h GLN 19 Ca -0.00 -0.02 -0.12 0.00 0.50 0.00 0.00 58.65 59.01 1ub0 h GLN 19 Cb 0.40 -0.06 -0.01 0.00 0.05 0.00 0.00 27.48 27.87 1ub0 h GLN 19 CO 0.02 0.17 -0.28 0.00 -1.50 0.00 0.00 178.83 177.24 1ub0 h ALA 20 N 1.11 0.47 -0.41 3.87 0.00 -1.17 -2.70 119.26 120.42 1ub0 h ALA 20 Ca 0.09 -0.40 0.04 0.00 0.00 0.00 0.00 54.91 54.64 1ub0 h ALA 20 Cb 0.01 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.66 1ub0 h ALA 20 CO -0.06 0.48 0.20 -0.44 0.00 0.00 0.00 179.25 179.43 1ub0 h ASP 21 N 0.52 0.27 0.14 0.00 3.32 -1.10 -1.31 116.42 118.27 1ub0 h ASP 21 Ca 0.06 0.03 -0.09 0.00 0.02 0.00 0.00 57.03 57.04 1ub0 h ASP 21 Cb 0.85 -0.02 -0.01 0.00 0.22 0.00 0.00 39.33 40.36 1ub0 h ASP 21 CO 0.07 0.20 -0.31 -0.07 -1.72 0.00 0.00 179.24 177.41 1ub0 h LEU 22 N 0.40 0.27 -0.45 1.55 3.38 -0.91 -0.18 115.31 119.37 1ub0 h LEU 22 Ca 0.18 -0.09 -0.09 0.00 0.09 0.00 0.00 57.88 57.97 1ub0 h LEU 22 Cb 0.10 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 1ub0 h LEU 22 CO -0.14 0.58 -0.07 0.11 0.09 0.00 0.00 178.44 179.01 1ub0 h LYS 23 N 0.24 0.84 -0.34 1.13 1.57 -1.11 -0.86 116.57 118.04 1ub0 h LYS 23 Ca 0.03 -0.30 -0.05 0.00 -1.87 0.00 0.00 60.65 58.46 1ub0 h LYS 23 Cb 0.67 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.92 1ub0 h LYS 23 CO 0.05 0.93 0.01 0.28 -0.57 0.00 0.00 179.45 180.15 1ub0 h VAL 24 N 0.67 1.25 -0.28 0.50 2.07 -0.92 0.61 116.25 120.16 1ub0 h VAL 24 Ca 0.12 -0.94 0.03 0.00 0.82 0.00 0.00 66.70 66.72 1ub0 h VAL 24 Cb 0.60 1.21 -0.03 0.00 -1.52 0.00 0.00 31.29 31.55 1ub0 h VAL 24 CO 0.04 0.31 0.10 -0.26 0.02 0.00 0.00 177.57 177.78 1ub0 h PHE 25 N 0.40 0.19 -0.70 1.57 0.05 -0.92 -1.26 116.94 116.28 1ub0 h PHE 25 Ca 0.10 0.01 0.01 0.00 3.82 0.00 0.00 57.97 61.91 1ub0 h PHE 25 Cb 0.43 -0.04 -0.03 0.00 2.00 0.00 0.00 35.95 38.31 1ub0 h PHE 25 CO 0.03 0.09 0.46 0.35 -0.18 0.00 0.00 178.31 179.06 1ub0 h PHE 26 N 0.24 0.89 -0.73 -0.55 3.04 -0.97 0.11 116.94 118.96 1ub0 h PHE 26 Ca 0.12 0.02 -0.00 0.00 3.98 0.00 0.00 57.97 62.09 1ub0 h PHE 26 Cb 0.08 -0.30 -0.04 0.00 2.56 0.00 0.00 35.95 38.26 1ub0 h PHE 26 CO -0.13 0.57 0.44 -0.09 -2.02 0.00 0.00 178.31 177.08 1ub0 h ARG 27 N 0.95 0.98 -0.23 1.11 9.65 -0.39 -2.01 114.38 124.44 1ub0 h ARG 27 Ca 0.26 -0.08 0.00 0.00 -1.10 0.00 0.00 59.98 59.05 1ub0 h ARG 27 Cb -0.10 -0.21 0.00 0.00 -1.39 0.00 0.00 29.97 28.27 1ub0 h ARG 27 CO -0.05 0.69 0.00 1.19 2.80 0.00 0.00 179.97 184.59 1ub0 n PHE 28 N -4.39 0.29 -1.64 2.20 3.01 -0.52 -4.90 117.46 111.52 1ub0 n PHE 28 Ca 0.08 -0.14 -0.10 0.00 1.01 0.00 0.00 57.45 58.29 1ub0 n PHE 28 Cb 0.07 -0.01 -0.03 0.00 -0.01 0.00 0.00 39.48 39.50 1ub0 n PHE 28 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1ub0 n GLY 29 N 0.82 0.71 3.61 1.37 0.00 -0.76 -5.02 105.19 105.91 1ub0 n GLY 29 Ca 0.07 -0.52 -0.34 0.00 0.00 0.00 0.00 46.02 45.23 1ub0 n GLY 29 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ub0 s VAL 30 N -2.43 4.12 -0.04 1.61 1.01 0.32 -4.59 120.40 120.39 1ub0 s VAL 30 Ca 0.00 -0.30 -0.30 0.00 0.00 0.00 0.00 61.98 61.38 1ub0 s VAL 30 Cb 0.00 -2.76 -0.04 0.00 0.00 0.00 0.00 36.38 33.59 1ub0 s VAL 30 CO 0.00 0.56 1.21 -0.47 0.00 0.00 0.00 175.10 176.40 1ub0 s TYR 31 N -0.39 3.19 -0.13 5.22 5.04 0.06 -3.46 117.35 126.88 1ub0 s TYR 31 Ca 0.07 1.20 -0.09 0.00 -2.44 0.00 0.00 57.07 55.81 1ub0 s TYR 31 Cb -0.12 -3.44 -0.04 0.00 0.35 0.00 0.00 41.96 38.71 1ub0 s TYR 31 CO 0.02 -1.38 0.17 0.20 -1.34 0.00 0.00 175.55 173.22 1ub0 s GLY 32 N 1.47 2.16 0.18 8.97 0.00 -1.26 -1.48 107.32 117.36 1ub0 s GLY 32 Ca 0.57 -0.61 0.08 0.00 0.00 0.00 0.00 44.72 44.76 1ub0 s GLY 32 CO 0.23 -0.18 -0.17 -0.51 0.00 0.00 0.00 173.10 172.47 1ub0 s THR 33 N -0.66 1.79 -0.11 0.90 -4.23 -0.38 -4.98 115.64 107.98 1ub0 s THR 33 Ca 0.14 -2.01 -0.11 0.00 -1.18 0.00 0.00 61.69 58.54 1ub0 s THR 33 Cb -0.12 -1.90 0.03 0.00 1.34 0.00 0.00 72.50 71.85 1ub0 s THR 33 CO 0.03 -0.41 0.30 -0.94 -0.54 0.00 0.00 174.62 173.07 1ub0 s SER 34 N -2.87 -0.30 -0.29 3.99 1.04 -1.26 -1.67 113.70 112.34 1ub0 s SER 34 Ca 0.18 0.57 0.02 0.00 0.48 0.00 0.00 55.95 57.20 1ub0 s SER 34 Cb -0.04 0.60 0.07 0.00 0.10 0.00 0.00 66.02 66.74 1ub0 s SER 34 CO 0.07 -0.13 -0.05 0.00 0.98 0.00 0.00 173.24 174.10 1ub0 s ALA 35 N 0.05 2.69 0.22 5.32 0.00 0.12 -4.92 121.76 125.24 1ub0 s ALA 35 Ca -0.01 -1.95 -0.30 0.00 0.00 0.00 0.00 51.96 49.70 1ub0 s ALA 35 Cb -0.02 -1.74 -0.08 0.00 0.00 0.00 0.00 23.12 21.27 1ub0 s ALA 35 CO 0.01 -1.33 1.02 -0.51 0.00 0.00 0.00 175.76 174.95 1ub0 s LEU 36 N 1.08 4.57 -0.13 0.00 1.02 -1.26 -2.27 118.68 121.69 1ub0 s LEU 36 Ca -0.04 2.05 0.17 0.00 0.02 0.00 0.00 54.13 56.33 1ub0 s LEU 36 Cb -0.20 -3.61 -0.24 0.00 0.02 0.00 0.00 46.19 42.16 1ub0 s LEU 36 CO -0.05 -0.03 0.16 0.35 0.02 0.00 0.00 176.35 176.80 1ub0 n THR 37 N 1.75 0.89 -3.61 5.49 -2.24 -0.55 -4.54 114.28 111.46 1ub0 n THR 37 Ca -0.00 -0.67 -0.07 0.00 -2.27 0.00 0.00 64.05 61.03 1ub0 n THR 37 Cb 0.46 -0.36 -0.02 0.00 -2.10 0.00 0.00 70.33 68.32 1ub0 n THR 37 CO 0.00 0.00 0.00 -1.48 -0.57 0.00 0.00 175.07 173.02 1ub0 s LEU 38 N -5.05 -0.33 -0.08 3.22 0.05 -1.26 -2.05 118.68 113.19 1ub0 s LEU 38 Ca -0.08 -0.21 0.03 0.00 0.05 0.00 0.00 54.13 53.92 1ub0 s LEU 38 Cb 0.07 2.25 0.01 0.00 -2.05 0.00 0.00 46.19 46.48 1ub0 s LEU 38 CO 0.75 -0.86 -0.16 -0.69 -0.55 0.00 0.00 176.35 174.84 1ub0 s VAL 39 N -3.38 1.43 0.09 1.48 1.01 0.21 -1.16 120.40 120.08 1ub0 s VAL 39 Ca 0.07 -0.65 0.10 0.00 0.00 0.00 0.00 61.98 61.51 1ub0 s VAL 39 Cb -0.02 -1.28 -0.03 0.00 0.00 0.00 0.00 36.38 35.04 1ub0 s VAL 39 CO -0.04 0.42 -0.26 0.42 0.00 0.00 0.00 175.10 175.64 1ub0 s THR 40 N 0.63 2.13 -0.32 3.92 -4.23 -0.40 -0.85 115.64 116.53 1ub0 s THR 40 Ca -0.15 -1.55 -0.15 0.00 -1.18 0.00 0.00 61.69 58.66 1ub0 s THR 40 Cb -0.16 -1.86 -0.02 0.00 1.34 0.00 0.00 72.50 71.80 1ub0 s THR 40 CO 0.04 0.20 0.37 0.00 -0.54 0.00 0.00 174.62 174.70 1ub0 s ALA 41 N -0.94 3.51 -0.01 3.99 0.00 -0.27 -3.20 121.76 124.84 1ub0 s ALA 41 Ca 0.12 -1.07 -0.17 0.00 0.00 0.00 0.00 51.96 50.84 1ub0 s ALA 41 Cb -0.10 -2.80 0.03 0.00 0.00 0.00 0.00 23.12 20.26 1ub0 s ALA 41 CO 0.04 -0.95 0.37 -1.14 0.00 0.00 0.00 175.76 174.08 1ub0 s GLN 42 N 2.06 0.76 0.00 0.00 0.74 -1.26 -0.78 119.66 121.18 1ub0 s GLN 42 Ca 0.13 -0.18 0.00 0.00 0.05 0.00 0.00 55.36 55.36 1ub0 s GLN 42 Cb -0.16 0.34 0.00 0.00 1.10 0.00 0.00 33.01 34.29 1ub0 s GLN 42 CO 0.11 -0.22 0.00 0.27 -0.55 0.00 0.00 175.29 174.90 1ub0 n ASN 43 N 1.08 0.00 0.00 6.67 0.23 -0.79 -1.84 115.26 120.61 1ub0 n ASN 43 Ca -0.21 -0.08 0.13 0.00 -0.53 0.00 0.00 54.58 53.90 1ub0 n ASN 43 Cb 0.57 0.00 0.75 0.00 -2.08 0.00 0.00 39.78 39.02 1ub0 n ASN 43 CO 0.00 0.00 0.00 0.35 -0.93 0.00 0.00 177.26 176.68 1ub0 n THR 44 N 0.00 0.06 0.48 5.53 -2.24 -1.26 -2.68 114.28 114.17 1ub0 n THR 44 Ca 0.00 0.02 0.11 0.00 -2.27 0.00 0.00 64.05 61.91 1ub0 n THR 44 Cb 0.00 -0.59 -0.05 0.00 -2.10 0.00 0.00 70.33 67.59 1ub0 n THR 44 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1ub0 n LEU 45 N -1.11 0.54 0.00 3.22 4.77 -1.26 -1.82 117.00 121.34 1ub0 n LEU 45 Ca 0.17 -0.09 0.00 0.00 -0.03 0.00 0.00 56.01 56.07 1ub0 n LEU 45 Cb 0.14 -0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.18 1ub0 n LEU 45 CO 0.17 0.06 0.00 0.61 -1.33 0.00 0.00 177.39 176.90 1ub0 n GLY 46 N 1.36 0.92 3.68 -0.72 0.00 -1.09 -5.04 105.19 104.30 1ub0 n GLY 46 Ca 0.01 -1.94 -0.38 0.00 0.00 0.00 0.00 46.02 43.71 1ub0 n GLY 46 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ub0 s VAL 47 N -2.30 5.22 -0.12 1.61 1.01 -1.26 -1.88 120.40 122.68 1ub0 s VAL 47 Ca 0.00 0.66 0.16 0.00 0.00 0.00 0.00 61.98 62.79 1ub0 s VAL 47 Cb 0.00 -3.70 -0.24 0.00 0.00 0.00 0.00 36.38 32.44 1ub0 s VAL 47 CO 0.00 0.28 0.37 0.00 0.00 0.00 0.00 175.10 175.75 1ub0 n GLN 48 N 4.31 0.66 -3.62 2.72 3.00 0.04 -4.99 117.38 119.50 1ub0 n GLN 48 Ca -0.09 0.13 -0.15 0.00 -0.01 0.00 0.00 57.00 56.88 1ub0 n GLN 48 Cb 0.51 -1.65 -0.07 0.00 0.00 0.00 0.00 30.24 29.03 1ub0 n GLN 48 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.06 177.56 1ub0 s ARG 49 N -2.58 0.85 -0.05 -1.09 3.52 -1.09 -4.97 118.95 113.54 1ub0 s ARG 49 Ca -0.07 0.65 0.05 0.00 -0.13 0.00 0.00 55.73 56.22 1ub0 s ARG 49 Cb 0.07 0.41 -0.00 0.00 -1.56 0.00 0.00 34.95 33.86 1ub0 s ARG 49 CO 0.83 -0.17 -0.18 0.08 -0.81 0.00 0.00 175.30 175.05 1ub0 s VAL 50 N -0.22 1.52 -0.23 7.11 1.01 -1.26 -1.11 120.40 127.22 1ub0 s VAL 50 Ca -0.04 -0.77 -0.01 0.00 0.00 0.00 0.00 61.98 61.16 1ub0 s VAL 50 Cb -0.03 -1.31 0.07 0.00 0.00 0.00 0.00 36.38 35.11 1ub0 s VAL 50 CO 0.04 0.44 0.01 -2.28 0.00 0.00 0.00 175.10 173.30 1ub0 s HIS 51 N 0.01 1.74 0.32 5.22 2.46 -0.03 -5.00 115.29 120.02 1ub0 s HIS 51 Ca -0.04 -1.39 -0.27 0.00 0.47 0.00 0.00 55.06 53.83 1ub0 s HIS 51 Cb -0.12 -1.39 -0.09 0.00 -0.13 0.00 0.00 32.58 30.85 1ub0 s HIS 51 CO 0.02 -0.72 0.99 -0.51 -2.47 0.00 0.00 174.74 172.06 1ub0 s LEU 52 N 1.61 4.38 0.22 8.88 1.43 -1.26 -0.62 118.68 133.32 1ub0 s LEU 52 Ca -0.01 1.97 -0.04 0.00 -1.03 0.00 0.00 54.13 55.02 1ub0 s LEU 52 Cb -0.18 -3.93 -0.05 0.00 0.03 0.00 0.00 46.19 42.06 1ub0 s LEU 52 CO -0.10 -0.14 0.47 -0.76 0.23 0.00 0.00 176.35 176.05 1ub0 s LEU 53 N -1.96 4.17 0.35 1.79 1.43 -0.87 -4.94 118.68 118.65 1ub0 s LEU 53 Ca 0.50 0.62 -0.29 0.00 -1.03 0.00 0.00 54.13 53.93 1ub0 s LEU 53 Cb -0.23 -3.40 -0.11 0.00 0.03 0.00 0.00 46.19 42.48 1ub0 s LEU 53 CO 0.29 -0.08 1.51 -2.84 0.23 0.00 0.00 176.35 175.46 1ub0 s PRO 54 N -3.18 4.12 0.35 1.29 0.02 -1.26 -4.87 135.00 131.47 1ub0 s PRO 54 Ca 0.42 2.56 0.10 0.00 0.02 0.00 0.00 61.00 64.10 1ub0 s PRO 54 Cb -0.11 -2.99 0.87 0.00 0.02 0.00 0.00 34.50 32.28 1ub0 s PRO 54 CO 0.27 -0.55 1.80 -1.35 -0.33 0.00 0.00 177.00 176.85 1ub0 h PRO 55 N 3.59 0.62 0.00 5.54 0.11 -1.95 -0.07 132.00 139.83 1ub0 h PRO 55 Ca -0.50 -0.04 -0.06 0.00 0.11 0.00 0.00 66.00 65.51 1ub0 h PRO 55 Cb 1.23 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 32.19 1ub0 h PRO 55 CO 0.69 0.41 -0.30 1.05 -0.21 0.00 0.00 178.00 179.64 1ub0 h GLU 56 N 0.64 0.00 -0.09 1.05 9.09 -1.95 -1.44 114.58 121.88 1ub0 h GLU 56 Ca 0.54 0.00 -0.19 0.00 0.05 0.00 0.00 59.36 59.76 1ub0 h GLU 56 Cb 1.01 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 28.10 1ub0 h GLU 56 CO -0.30 0.30 -0.74 0.28 0.05 0.00 0.00 179.01 178.60 1ub0 h VAL 57 N 0.00 1.37 -0.30 -1.06 2.07 -1.37 -0.40 116.25 116.55 1ub0 h VAL 57 Ca -0.00 -2.13 -0.09 0.00 0.82 0.00 0.00 66.70 65.31 1ub0 h VAL 57 Cb 0.59 2.10 -0.01 0.00 -1.52 0.00 0.00 31.29 32.46 1ub0 h VAL 57 CO 0.04 0.64 -0.14 0.58 0.02 0.00 0.00 177.57 178.71 1ub0 h VAL 58 N 0.30 1.29 -0.42 2.57 2.07 -1.14 -2.61 116.25 118.32 1ub0 h VAL 58 Ca -0.03 -1.24 -0.01 0.00 0.82 0.00 0.00 66.70 66.24 1ub0 h VAL 58 Cb 1.32 1.45 -0.02 0.00 -1.52 0.00 0.00 31.29 32.52 1ub0 h VAL 58 CO 0.13 0.40 0.24 0.22 0.02 0.00 0.00 177.57 178.58 1ub0 h TYR 59 N 0.39 0.57 -0.97 1.57 3.20 -1.21 -2.65 116.97 117.86 1ub0 h TYR 59 Ca 0.07 -0.01 0.05 0.00 3.14 0.00 0.00 58.73 61.98 1ub0 h TYR 59 Cb 0.67 -0.18 -0.06 0.00 1.54 0.00 0.00 36.73 38.69 1ub0 h TYR 59 CO 0.06 0.42 0.63 0.00 -1.64 0.00 0.00 178.16 177.64 1ub0 h ALA 60 N 1.10 1.40 -0.42 1.82 0.00 -0.99 -0.83 119.26 121.34 1ub0 h ALA 60 Ca 0.15 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.97 1ub0 h ALA 60 Cb 0.03 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.48 1ub0 h ALA 60 CO -0.03 0.48 0.07 1.96 0.00 0.00 0.00 179.25 181.73 1ub0 h GLN 61 N 1.18 0.70 -0.38 0.00 4.20 -1.19 0.40 115.11 120.03 1ub0 h GLN 61 Ca 0.40 -0.19 -0.01 0.00 0.06 0.00 0.00 58.65 58.91 1ub0 h GLN 61 Cb 0.09 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 27.77 1ub0 h GLN 61 CO -0.14 0.74 0.19 0.82 -0.67 0.00 0.00 178.83 179.77 1ub0 h ILE 62 N 0.56 1.16 -0.11 2.54 2.04 -1.10 -1.53 117.51 121.06 1ub0 h ILE 62 Ca 0.13 -0.44 0.01 0.00 1.00 0.00 0.00 64.86 65.56 1ub0 h ILE 62 Cb 0.38 0.75 -0.01 0.00 -0.74 0.00 0.00 36.82 37.20 1ub0 h ILE 62 CO 0.01 0.17 0.05 -0.08 0.00 0.00 0.00 178.15 178.29 1ub0 h GLU 63 N 0.48 0.10 -0.62 2.37 4.81 -0.97 0.28 114.58 121.03 1ub0 h GLU 63 Ca 0.13 -0.01 0.06 0.00 -0.13 0.00 0.00 59.36 59.42 1ub0 h GLU 63 Cb 0.09 -0.02 -0.06 0.00 0.63 0.00 0.00 28.75 29.39 1ub0 h GLU 63 CO -0.02 0.07 0.32 0.77 -0.73 0.00 0.00 179.01 179.42 1ub0 h SER 64 N 0.10 0.46 0.01 1.04 0.02 -0.74 -1.95 113.55 112.50 1ub0 h SER 64 Ca 0.05 0.04 -0.00 0.00 -0.84 0.00 0.00 61.79 61.03 1ub0 h SER 64 Cb 0.02 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 62.51 1ub0 h SER 64 CO -0.04 0.30 -0.01 0.58 -1.14 0.00 0.00 176.83 176.52 1ub0 h VAL 65 N 0.60 1.43 -0.72 2.27 2.07 -0.98 -3.20 116.25 117.71 1ub0 h VAL 65 Ca 0.28 -1.36 0.07 0.00 0.82 0.00 0.00 66.70 66.51 1ub0 h VAL 65 Cb 0.21 2.34 -0.04 0.00 -1.52 0.00 0.00 31.29 32.27 1ub0 h VAL 65 CO -0.19 0.35 0.47 0.00 0.02 0.00 0.00 177.57 178.22 1ub0 h ALA 66 N 0.37 1.71 0.00 1.67 0.00 -0.32 0.33 119.26 123.02 1ub0 h ALA 66 Ca -0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1ub0 h ALA 66 Cb 0.58 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1ub0 h ALA 66 CO 0.00 0.17 -0.26 1.96 0.00 0.00 0.00 179.25 181.12 1ub0 h GLN 67 N 0.74 0.00 0.00 0.00 4.20 -1.46 -3.37 115.11 115.22 1ub0 h GLN 67 Ca 0.31 0.00 -0.32 0.00 0.06 0.00 0.00 58.65 58.70 1ub0 h GLN 67 Cb 0.27 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 27.99 1ub0 h GLN 67 CO -0.10 0.00 -2.22 -3.47 -0.67 0.00 0.00 178.83 172.36 1ub0 n ASP 68 N -2.36 1.63 -4.57 1.46 2.03 -0.91 -5.01 116.55 108.83 1ub0 n ASP 68 Ca 0.04 -0.07 -0.30 0.00 0.52 0.00 0.00 54.79 54.98 1ub0 n ASP 68 Cb 0.46 0.20 -0.10 0.00 -0.72 0.00 0.00 41.12 40.95 1ub0 n ASP 68 CO 0.00 0.00 0.00 -0.36 -1.92 0.00 0.00 177.20 174.92 1ub0 s PHE 69 N -2.43 2.73 0.11 -0.67 0.40 0.06 -5.09 117.98 113.08 1ub0 s PHE 69 Ca -0.21 -0.16 -0.30 0.00 -0.60 0.00 0.00 56.93 55.67 1ub0 s PHE 69 Cb 0.07 -1.45 -0.06 0.00 0.51 0.00 0.00 43.02 42.09 1ub0 s PHE 69 CO 0.59 0.41 0.99 -1.25 0.70 0.00 0.00 175.22 176.66 1ub0 s PRO 70 N -2.07 4.67 -0.31 0.24 0.04 -1.26 -4.60 135.00 131.70 1ub0 s PRO 70 Ca 0.20 1.49 -0.07 0.00 0.04 0.00 0.00 61.00 62.67 1ub0 s PRO 70 Cb -0.11 -3.37 0.02 0.00 0.04 0.00 0.00 34.50 31.08 1ub0 s PRO 70 CO 0.12 0.16 0.09 -0.51 0.04 0.00 0.00 177.00 176.91 1ub0 s LEU 71 N 0.07 4.04 0.00 -3.56 1.43 -1.26 -4.42 118.68 114.98 1ub0 s LEU 71 Ca 0.48 -0.87 0.26 0.00 -1.03 0.00 0.00 54.13 52.98 1ub0 s LEU 71 Cb -0.24 -1.88 0.75 0.00 0.03 0.00 0.00 46.19 44.85 1ub0 s LEU 71 CO 0.30 -0.25 1.58 1.41 0.23 0.00 0.00 176.35 179.63 1ub0 n HIS 72 N 4.85 0.00 -3.62 0.29 8.25 -0.26 -4.69 115.22 120.04 1ub0 n HIS 72 Ca -0.14 0.00 -0.00 0.00 -0.26 0.00 0.00 57.72 57.32 1ub0 n HIS 72 Cb 0.47 -0.29 -0.01 0.00 1.12 0.00 0.00 29.99 31.27 1ub0 n HIS 72 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1ub0 s ALA 73 N -2.92 -2.31 0.18 -1.41 0.00 -1.22 -4.11 121.76 109.99 1ub0 s ALA 73 Ca 0.14 1.60 -0.23 0.00 0.00 0.00 0.00 51.96 53.47 1ub0 s ALA 73 Cb 0.18 -0.19 0.06 0.00 0.00 0.00 0.00 23.12 23.17 1ub0 s ALA 73 CO 0.63 -0.72 0.64 0.00 0.00 0.00 0.00 175.76 176.32 1ub0 s ALA 74 N -2.04 -1.51 0.06 0.00 0.00 -0.71 -1.72 121.76 115.83 1ub0 s ALA 74 Ca 0.13 0.30 -0.03 0.00 0.00 0.00 0.00 51.96 52.36 1ub0 s ALA 74 Cb 0.02 0.86 -0.03 0.00 0.00 0.00 0.00 23.12 23.97 1ub0 s ALA 74 CO -0.04 -0.84 0.04 -1.59 0.00 0.00 0.00 175.76 173.33 1ub0 s LYS 75 N -3.76 0.66 0.09 0.00 -2.85 -0.38 -0.44 119.74 113.06 1ub0 s LYS 75 Ca 0.04 -1.09 0.10 0.00 -1.00 0.00 0.00 55.97 54.01 1ub0 s LYS 75 Cb -0.02 0.24 -0.03 0.00 -2.06 0.00 0.00 37.83 35.96 1ub0 s LYS 75 CO -0.08 -0.15 -0.26 0.95 0.10 0.00 0.00 175.35 175.91 1ub0 s THR 76 N -3.71 2.14 0.00 3.79 -4.23 -0.13 -0.91 115.64 112.59 1ub0 s THR 76 Ca 0.05 -1.56 0.00 0.00 -1.18 0.00 0.00 61.69 59.00 1ub0 s THR 76 Cb 0.06 -1.86 0.00 0.00 1.34 0.00 0.00 72.50 72.03 1ub0 s THR 76 CO -0.09 0.20 0.00 0.61 -0.54 0.00 0.00 174.62 174.80 1ub0 n GLY 77 N 1.34 3.07 3.72 3.99 0.00 0.42 -2.06 105.19 115.68 1ub0 n GLY 77 Ca -0.18 -0.28 -0.42 0.00 0.00 0.00 0.00 46.02 45.15 1ub0 n GLY 77 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ub0 s ALA 78 N -2.00 3.81 -1.27 4.61 0.00 -1.26 -4.76 121.76 120.88 1ub0 s ALA 78 Ca 0.00 1.41 0.10 0.00 0.00 0.00 0.00 51.96 53.48 1ub0 s ALA 78 Cb 0.00 -3.64 0.07 0.00 0.00 0.00 0.00 23.12 19.56 1ub0 s ALA 78 CO 0.00 -0.81 0.81 1.28 0.00 0.00 0.00 175.76 177.05 1ub0 n LEU 79 N 3.95 1.81 0.00 0.00 4.77 -1.26 -3.40 117.00 122.86 1ub0 n LEU 79 Ca 0.14 -0.98 0.00 0.00 -0.03 0.00 0.00 56.01 55.15 1ub0 n LEU 79 Cb 0.38 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.47 1ub0 n LEU 79 CO 0.62 0.35 0.00 0.61 -1.33 0.00 0.00 177.39 177.64 1ub0 n GLY 80 N 0.62 1.59 3.68 -0.72 0.00 -1.26 -4.26 105.19 104.84 1ub0 n GLY 80 Ca 0.06 -0.01 -0.10 0.00 0.00 0.00 0.00 46.02 45.97 1ub0 n GLY 80 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1ub0 s ASP 81 N 0.00 0.18 0.22 1.61 3.84 -1.26 -4.90 116.67 116.36 1ub0 s ASP 81 Ca 0.00 -1.10 -0.08 0.00 -0.00 0.00 0.00 52.55 51.37 1ub0 s ASP 81 Cb 0.00 0.72 0.29 0.00 -1.38 0.00 0.00 42.92 42.55 1ub0 s ASP 81 CO 0.00 -1.41 1.79 0.00 -0.00 0.00 0.00 175.17 175.56 1ub0 h ALA 82 N 2.09 0.94 -0.76 2.11 0.00 -1.86 -0.83 119.26 120.96 1ub0 h ALA 82 Ca -0.28 0.04 0.04 0.00 0.00 0.00 0.00 54.91 54.71 1ub0 h ALA 82 Cb 1.25 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.90 1ub0 h ALA 82 CO 0.36 0.00 0.47 0.00 0.00 0.00 0.00 179.25 180.08 1ub0 h ALA 83 N 1.39 1.01 -0.16 0.00 0.00 -1.96 -0.61 119.26 118.93 1ub0 h ALA 83 Ca 0.33 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 55.17 1ub0 h ALA 83 Cb 0.28 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 1ub0 h ALA 83 CO -0.23 0.25 -0.08 0.82 0.00 0.00 0.00 179.25 180.01 1ub0 h ILE 84 N 0.91 1.31 -0.65 0.00 2.04 -1.66 -1.97 117.51 117.50 1ub0 h ILE 84 Ca 0.31 -1.14 0.12 0.00 1.00 0.00 0.00 64.86 65.15 1ub0 h ILE 84 Cb 0.06 1.72 -0.09 0.00 -0.74 0.00 0.00 36.82 37.77 1ub0 h ILE 84 CO -0.13 0.34 0.20 0.58 0.00 0.00 0.00 178.15 179.14 1ub0 h VAL 85 N 0.02 0.67 -0.63 1.67 2.07 -0.79 0.10 116.25 119.36 1ub0 h VAL 85 Ca 0.04 -0.12 -0.03 0.00 0.82 0.00 0.00 66.70 67.41 1ub0 h VAL 85 Cb 0.56 0.30 -0.03 0.00 -1.52 0.00 0.00 31.29 30.60 1ub0 h VAL 85 CO 0.03 0.06 0.28 -0.33 0.02 0.00 0.00 177.57 177.63 1ub0 h GLU 86 N 0.34 0.93 -0.68 1.57 5.08 -1.01 0.33 114.58 121.15 1ub0 h GLU 86 Ca 0.34 -0.15 -0.06 0.00 -1.00 0.00 0.00 59.36 58.49 1ub0 h GLU 86 Cb 0.50 -0.16 -0.03 0.00 0.50 0.00 0.00 28.75 29.56 1ub0 h GLU 86 CO -0.39 0.77 0.19 0.00 -1.00 0.00 0.00 179.01 178.58 1ub0 h ALA 87 N 1.12 0.89 -0.44 3.43 0.00 -0.49 -1.10 119.26 122.67 1ub0 h ALA 87 Ca 0.21 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1ub0 h ALA 87 Cb 0.16 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 1ub0 h ALA 87 CO -0.02 0.58 0.19 0.28 0.00 0.00 0.00 179.25 180.28 1ub0 h VAL 88 N 1.00 1.20 -0.43 0.00 2.07 -0.38 -0.38 116.25 119.31 1ub0 h VAL 88 Ca 0.22 -0.59 -0.01 0.00 0.82 0.00 0.00 66.70 67.14 1ub0 h VAL 88 Cb 0.33 0.77 -0.02 0.00 -1.52 0.00 0.00 31.29 30.84 1ub0 h VAL 88 CO -0.00 0.22 0.23 0.00 0.02 0.00 0.00 177.57 178.04 1ub0 h ALA 89 N 1.03 0.55 -0.27 1.67 0.00 -0.69 0.15 119.26 121.71 1ub0 h ALA 89 Ca 0.15 -0.09 0.01 0.00 0.00 0.00 0.00 54.91 54.98 1ub0 h ALA 89 Cb 0.17 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 1ub0 h ALA 89 CO -0.01 0.08 0.16 1.49 0.00 0.00 0.00 179.25 180.97 1ub0 h GLU 90 N 0.56 0.32 -0.25 0.00 4.81 -0.98 -0.89 114.58 118.15 1ub0 h GLU 90 Ca 0.15 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.36 1ub0 h GLU 90 Cb 0.07 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.36 1ub0 h GLU 90 CO -0.02 0.21 0.14 0.00 -0.73 0.00 0.00 179.01 178.61 1ub0 h ALA 91 N 1.11 0.31 -0.97 2.92 0.00 -0.75 0.14 119.26 122.02 1ub0 h ALA 91 Ca 0.10 -0.06 0.05 0.00 0.00 0.00 0.00 54.91 55.00 1ub0 h ALA 91 Cb -0.01 -0.10 -0.06 0.00 0.00 0.00 0.00 17.79 17.62 1ub0 h ALA 91 CO -0.04 -0.16 0.63 0.28 0.00 0.00 0.00 179.25 179.96 1ub0 h VAL 92 N 0.29 1.12 0.10 0.00 2.07 -0.49 -0.10 116.25 119.24 1ub0 h VAL 92 Ca 0.09 -0.40 -0.01 0.00 0.82 0.00 0.00 66.70 67.20 1ub0 h VAL 92 Cb 0.06 -0.15 0.00 0.00 -1.52 0.00 0.00 31.29 29.68 1ub0 h VAL 92 CO -0.01 0.21 -0.05 -0.09 0.02 0.00 0.00 177.57 177.65 1ub0 h ARG 93 N 1.17 -0.13 -0.94 1.57 2.43 -0.83 -1.84 114.38 115.79 1ub0 h ARG 93 Ca 0.40 0.01 0.08 0.00 -0.81 0.00 0.00 59.98 59.67 1ub0 h ARG 93 Cb 0.11 0.03 -0.07 0.00 -0.42 0.00 0.00 29.97 29.62 1ub0 h ARG 93 CO -0.14 0.35 0.59 -0.09 -1.51 0.00 0.00 179.97 179.17 1ub0 h ARG 94 N -0.73 1.00 -0.66 0.20 9.65 -0.51 -2.66 114.38 120.68 1ub0 h ARG 94 Ca -0.01 -0.06 0.00 0.00 -1.10 0.00 0.00 59.98 58.81 1ub0 h ARG 94 Cb 0.55 -0.23 0.00 0.00 -1.39 0.00 0.00 29.97 28.90 1ub0 h ARG 94 CO 0.02 0.66 0.00 1.19 2.80 0.00 0.00 179.97 184.65 1ub0 n PHE 95 N -4.59 0.88 -3.75 2.20 3.72 -0.07 -4.98 117.46 110.86 1ub0 n PHE 95 Ca 0.15 -0.44 -0.22 0.00 -0.05 0.00 0.00 57.45 56.89 1ub0 n PHE 95 Cb 0.23 0.00 0.02 0.00 -0.94 0.00 0.00 39.48 38.79 1ub0 n PHE 95 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1ub0 n GLY 96 N 1.63 -0.29 3.59 1.37 0.00 -0.93 -4.90 105.19 105.67 1ub0 n GLY 96 Ca 0.23 0.14 -0.42 0.00 0.00 0.00 0.00 46.02 45.97 1ub0 n GLY 96 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ub0 s VAL 97 N -3.73 4.00 0.00 1.61 1.01 -0.74 -4.96 120.40 117.60 1ub0 s VAL 97 Ca 0.01 0.94 -0.25 0.00 0.00 0.00 0.00 61.98 62.68 1ub0 s VAL 97 Cb -0.00 -4.57 0.06 0.00 0.00 0.00 0.00 36.38 31.86 1ub0 s VAL 97 CO 0.83 -1.15 0.56 -0.13 0.00 0.00 0.00 175.10 175.21 1ub0 s ARG 98 N 4.94 1.01 0.43 2.72 0.52 -1.26 -4.36 118.95 122.95 1ub0 s ARG 98 Ca 0.48 -0.04 -0.23 0.00 -0.52 0.00 0.00 55.73 55.43 1ub0 s ARG 98 Cb -0.09 0.47 -0.09 0.00 0.52 0.00 0.00 34.95 35.76 1ub0 s ARG 98 CO 0.28 -0.34 1.06 -1.25 0.02 0.00 0.00 175.30 175.07 1ub0 s PRO 99 N -1.84 4.04 -0.14 3.54 0.04 -1.26 -4.21 135.00 135.16 1ub0 s PRO 99 Ca -0.08 1.50 -0.02 0.00 0.04 0.00 0.00 61.00 62.44 1ub0 s PRO 99 Cb -0.01 -2.42 -0.02 0.00 0.04 0.00 0.00 34.50 32.09 1ub0 s PRO 99 CO 0.03 -0.25 -0.09 -1.17 0.04 0.00 0.00 177.00 175.57 1ub0 s LEU 100 N -2.88 2.96 -0.37 -3.56 2.96 -1.26 -1.74 118.68 114.79 1ub0 s LEU 100 Ca 0.61 -0.24 -0.10 0.00 -0.22 0.00 0.00 54.13 54.18 1ub0 s LEU 100 Cb -0.21 -1.69 0.03 0.00 0.50 0.00 0.00 46.19 44.82 1ub0 s LEU 100 CO 0.26 0.17 0.18 -0.69 -1.32 0.00 0.00 176.35 174.95 1ub0 s VAL 101 N 0.35 4.34 -0.42 1.68 1.01 0.42 -0.64 120.40 127.13 1ub0 s VAL 101 Ca -0.08 -0.98 -0.17 0.00 0.00 0.00 0.00 61.98 60.75 1ub0 s VAL 101 Cb -0.15 -3.45 0.02 0.00 0.00 0.00 0.00 36.38 32.80 1ub0 s VAL 101 CO 0.04 -0.24 0.45 -0.69 0.00 0.00 0.00 175.10 174.66 1ub0 s VAL 102 N 1.50 5.08 -0.48 2.92 1.01 0.75 -0.95 120.40 130.23 1ub0 s VAL 102 Ca 0.01 -0.32 -0.17 0.00 0.00 0.00 0.00 61.98 61.50 1ub0 s VAL 102 Cb -0.20 -4.04 0.06 0.00 0.00 0.00 0.00 36.38 32.21 1ub0 s VAL 102 CO 0.05 -0.43 0.46 -0.62 0.00 0.00 0.00 175.10 174.57 1ub0 s ASP 103 N 1.82 6.17 0.11 3.32 -1.08 -0.87 -1.66 116.67 124.47 1ub0 s ASP 103 Ca 0.13 -1.17 -0.22 0.00 -0.52 0.00 0.00 52.55 50.76 1ub0 s ASP 103 Cb -0.17 -2.21 -0.05 0.00 -1.46 0.00 0.00 42.92 39.03 1ub0 s ASP 103 CO 0.14 -0.71 1.10 -2.65 0.52 0.00 0.00 175.17 173.57 1ub0 n PRO 104 N 5.49 -0.31 -4.10 4.34 -0.02 -1.26 -4.35 135.00 134.79 1ub0 n PRO 104 Ca -0.11 1.08 -0.42 0.00 -2.02 0.00 0.00 63.50 62.04 1ub0 n PRO 104 Cb 0.44 -1.59 -0.01 0.00 -0.02 0.00 0.00 33.50 32.33 1ub0 n PRO 104 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1ub0 n VAL 105 N -4.89 -2.58 -1.72 -1.45 0.31 -1.26 -4.77 118.33 101.96 1ub0 n VAL 105 Ca 0.01 -0.60 -0.30 0.00 -0.01 0.00 0.00 64.34 63.44 1ub0 n VAL 105 Cb 0.19 -2.17 0.07 0.00 -0.91 0.00 0.00 33.84 31.02 1ub0 n VAL 105 CO 0.00 0.00 0.00 -0.04 -1.32 0.00 0.00 176.83 175.47 1ub0 s MET 106 N -7.30 2.38 0.00 5.55 -1.94 -1.26 -4.61 119.30 112.12 1ub0 s MET 106 Ca 0.36 0.51 0.00 0.00 -1.71 0.00 0.00 55.69 54.85 1ub0 s MET 106 Cb -0.19 -1.96 0.00 0.00 2.01 0.00 0.00 34.83 34.68 1ub0 s MET 106 CO 0.97 -1.38 0.00 0.00 -0.01 0.00 0.00 175.02 174.59 1ub0 n ALA 116 N -3.25 -0.45 -0.09 3.03 0.00 -1.26 -5.09 120.51 113.40 1ub0 n ALA 116 Ca 0.07 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.42 1ub0 n ALA 116 Cb 0.57 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 20.00 1ub0 n ALA 116 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1ub0 h LYS 117 N 0.00 0.42 -0.86 0.00 1.63 -2.02 -2.84 116.57 112.90 1ub0 h LYS 117 Ca 0.00 -0.04 -0.01 0.00 -0.85 0.00 0.00 60.65 59.75 1ub0 h LYS 117 Cb 0.00 -0.09 -0.04 0.00 -0.60 0.00 0.00 32.23 31.50 1ub0 h LYS 117 CO 0.00 0.32 0.50 0.93 -3.45 0.00 0.00 179.45 177.75 1ub0 h GLU 118 N 0.39 1.17 -0.69 1.90 5.08 -2.03 -2.59 114.58 117.82 1ub0 h GLU 118 Ca 0.11 -0.12 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 1ub0 h GLU 118 Cb 0.01 -0.24 -0.03 0.00 0.50 0.00 0.00 28.75 28.99 1ub0 h GLU 118 CO -0.02 0.84 0.37 0.00 -1.00 0.00 0.00 179.01 179.19 1ub0 h ALA 119 N 1.27 0.89 -0.64 3.43 0.00 -1.87 -1.34 119.26 121.00 1ub0 h ALA 119 Ca 0.31 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 1ub0 h ALA 119 Cb -0.02 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.46 1ub0 h ALA 119 CO -0.05 0.42 0.30 0.00 0.00 0.00 0.00 179.25 179.91 1ub0 h ALA 120 N 1.18 1.34 -0.16 0.00 0.00 -1.26 0.03 119.26 120.38 1ub0 h ALA 120 Ca 0.24 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 1ub0 h ALA 120 Cb 0.06 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 1ub0 h ALA 120 CO -0.04 0.52 0.00 0.00 0.00 0.00 0.00 179.25 179.73 1ub0 h ALA 121 N 1.44 0.21 -0.71 0.00 0.00 -1.02 -1.81 119.26 117.37 1ub0 h ALA 121 Ca 0.22 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1ub0 h ALA 121 Cb 0.10 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 1ub0 h ALA 121 CO -0.03 -0.08 0.41 0.00 0.00 0.00 0.00 179.25 179.54 1ub0 h ALA 122 N 0.77 0.91 0.20 0.00 0.00 -0.93 -0.58 119.26 119.62 1ub0 h ALA 122 Ca 0.05 -0.10 0.01 0.00 0.00 0.00 0.00 54.91 54.87 1ub0 h ALA 122 Cb 0.37 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 1ub0 h ALA 122 CO 0.01 0.40 -0.29 1.25 0.00 0.00 0.00 179.25 180.61 1ub0 h LEU 123 N 0.97 -0.82 -0.34 0.00 5.85 -0.85 0.32 115.31 120.44 1ub0 h LEU 123 Ca 0.25 0.09 -0.01 0.00 0.84 0.00 0.00 57.88 59.04 1ub0 h LEU 123 Cb 0.01 0.30 -0.02 0.00 0.37 0.00 0.00 40.66 41.32 1ub0 h LEU 123 CO -0.04 -0.40 0.16 0.11 -0.34 0.00 0.00 178.44 177.93 1ub0 h LYS 124 N -0.56 0.49 0.04 1.25 1.57 -1.14 -0.76 116.57 117.47 1ub0 h LYS 124 Ca 0.01 -0.07 -0.17 0.00 -1.87 0.00 0.00 60.65 58.55 1ub0 h LYS 124 Cb 0.55 -0.09 0.02 0.00 0.08 0.00 0.00 32.23 32.79 1ub0 h LYS 124 CO -0.12 0.45 -0.68 0.93 -0.57 0.00 0.00 179.45 179.46 1ub0 h GLU 125 N 0.41 0.39 0.09 3.15 5.08 -1.01 -3.32 114.58 119.37 1ub0 h GLU 125 Ca 0.12 -0.47 -0.34 0.00 -1.00 0.00 0.00 59.36 57.66 1ub0 h GLU 125 Cb 0.12 0.15 -0.03 0.00 0.50 0.00 0.00 28.75 29.49 1ub0 h GLU 125 CO -0.01 1.15 -1.89 0.54 -1.00 0.00 0.00 179.01 177.79 1ub0 n ARG 126 N -4.18 0.71 -0.02 2.33 5.12 0.11 -4.62 116.66 116.11 1ub0 n ARG 126 Ca -0.11 0.32 -0.21 0.00 -1.93 0.00 0.00 57.85 55.91 1ub0 n ARG 126 Cb 0.72 -1.70 -0.13 0.00 -1.16 0.00 0.00 32.46 30.19 1ub0 n ARG 126 CO 0.00 0.00 0.00 -0.11 -1.93 0.00 0.00 177.63 175.59 1ub0 n LEU 127 N -3.69 2.57 -0.32 0.55 7.94 -0.58 -4.38 117.00 119.09 1ub0 n LEU 127 Ca -0.34 0.21 0.13 0.00 -1.11 0.00 0.00 56.01 54.90 1ub0 n LEU 127 Cb 0.96 -1.08 0.36 0.00 0.53 0.00 0.00 43.42 44.19 1ub0 n LEU 127 CO 0.36 0.79 1.21 -0.26 -1.11 0.00 0.00 177.39 178.38 1ub0 h PHE 128 N -0.08 0.93 0.00 1.96 -1.00 -1.29 0.08 116.94 117.55 1ub0 h PHE 128 Ca -0.43 0.03 0.00 0.00 2.81 0.00 0.00 57.97 60.37 1ub0 h PHE 128 Cb 1.93 -0.29 0.00 0.00 3.61 0.00 0.00 35.95 41.20 1ub0 h PHE 128 CO 0.07 0.26 0.00 -1.35 -1.61 0.00 0.00 178.31 175.69 1ub0 h PRO 129 N 0.72 0.00 -0.02 1.51 0.11 -1.76 -1.87 132.00 130.68 1ub0 h PRO 129 Ca 0.52 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.63 1ub0 h PRO 129 Cb 0.87 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.98 1ub0 h PRO 129 CO -0.29 0.00 -0.22 1.28 -0.21 0.00 0.00 178.00 178.55 1ub0 n LEU 130 N -2.90 2.21 -4.79 2.35 4.77 0.00 -4.68 117.00 113.97 1ub0 n LEU 130 Ca -0.01 -0.76 -0.39 0.00 -0.03 0.00 0.00 56.01 54.82 1ub0 n LEU 130 Cb 0.14 -0.01 -0.06 0.00 -2.33 0.00 0.00 43.42 41.16 1ub0 n LEU 130 CO 0.20 0.39 0.46 0.00 -1.33 0.00 0.00 177.39 177.11 1ub0 s ALA 131 N -2.25 3.45 -0.20 -1.18 0.00 -0.74 -4.62 121.76 116.22 1ub0 s ALA 131 Ca 0.25 0.31 0.21 0.00 0.00 0.00 0.00 51.96 52.72 1ub0 s ALA 131 Cb 0.19 -2.91 -0.05 0.00 0.00 0.00 0.00 23.12 20.35 1ub0 s ALA 131 CO 0.44 0.31 0.97 -0.25 0.00 0.00 0.00 175.76 177.22 1ub0 n ASP 132 N 1.45 0.83 -3.63 0.00 8.00 0.18 -1.75 116.55 121.64 1ub0 n ASP 132 Ca -0.05 0.34 -0.13 0.00 0.71 0.00 0.00 54.79 55.65 1ub0 n ASP 132 Cb 0.49 0.40 -0.07 0.00 -0.02 0.00 0.00 41.12 41.92 1ub0 n ASP 132 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1ub0 s LEU 133 N -5.46 -0.76 -0.06 0.64 2.96 -1.00 -2.57 118.68 112.43 1ub0 s LEU 133 Ca -0.01 1.44 0.05 0.00 -0.22 0.00 0.00 54.13 55.39 1ub0 s LEU 133 Cb 0.09 2.45 -0.01 0.00 0.50 0.00 0.00 46.19 49.22 1ub0 s LEU 133 CO 0.80 -0.25 -0.23 0.68 -1.32 0.00 0.00 176.35 176.04 1ub0 s VAL 134 N 0.48 2.27 -0.63 1.68 -7.23 -0.95 -0.18 120.40 115.85 1ub0 s VAL 134 Ca -0.01 -0.99 0.05 0.00 -1.81 0.00 0.00 61.98 59.22 1ub0 s VAL 134 Cb -0.05 -1.84 0.32 0.00 0.56 0.00 0.00 36.38 35.36 1ub0 s VAL 134 CO -0.01 0.57 0.95 0.35 -0.31 0.00 0.00 175.10 176.65 1ub0 n THR 135 N 2.87 3.09 -2.70 5.32 -2.24 -0.66 -0.69 114.28 119.27 1ub0 n THR 135 Ca -0.17 -5.52 -0.33 0.00 -2.27 0.00 0.00 64.05 55.76 1ub0 n THR 135 Cb 0.52 -1.60 -0.06 0.00 -2.10 0.00 0.00 70.33 67.10 1ub0 n THR 135 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 1ub0 s PRO 136 N -3.25 4.09 0.62 -0.78 0.04 -1.16 -4.44 135.00 130.12 1ub0 s PRO 136 Ca 0.46 1.00 -0.01 0.00 0.04 0.00 0.00 61.00 62.48 1ub0 s PRO 136 Cb 0.24 -2.19 0.06 0.00 0.04 0.00 0.00 34.50 32.64 1ub0 s PRO 136 CO -0.10 -0.10 0.88 0.54 0.04 0.00 0.00 177.00 178.26 1ub0 s ASN 137 N -2.55 4.99 0.20 6.66 2.20 -1.26 -0.93 114.94 124.26 1ub0 s ASN 137 Ca 0.60 0.07 -0.11 0.00 -0.94 0.00 0.00 52.86 52.48 1ub0 s ASN 137 Cb -0.09 -0.81 0.26 0.00 -2.00 0.00 0.00 41.25 38.60 1ub0 s ASN 137 CO 0.21 -1.39 1.68 -0.09 -2.94 0.00 0.00 177.10 174.57 1ub0 h ARG 138 N -0.22 0.16 0.63 3.55 2.43 -1.55 0.35 114.38 119.73 1ub0 h ARG 138 Ca -0.42 -0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 58.72 1ub0 h ARG 138 Cb 1.30 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.80 1ub0 h ARG 138 CO 0.53 0.11 -0.50 -0.07 -1.51 0.00 0.00 179.97 178.52 1ub0 h LEU 139 N 0.17 -1.33 -0.89 3.80 4.07 -1.94 0.53 115.31 119.72 1ub0 h LEU 139 Ca 0.30 0.09 0.16 0.00 0.08 0.00 0.00 57.88 58.51 1ub0 h LEU 139 Cb 0.46 0.42 -0.10 0.00 1.08 0.00 0.00 40.66 42.52 1ub0 h LEU 139 CO -0.44 -0.71 0.48 -0.33 -1.08 0.00 0.00 178.44 176.36 1ub0 h GLU 140 N -1.10 0.64 -0.31 1.13 5.08 -1.80 0.12 114.58 118.34 1ub0 h GLU 140 Ca -0.08 -0.04 0.02 0.00 -1.00 0.00 0.00 59.36 58.26 1ub0 h GLU 140 Cb 0.92 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 30.00 1ub0 h GLU 140 CO 0.01 0.42 0.15 0.00 -1.00 0.00 0.00 179.01 178.59 1ub0 h ALA 141 N 1.59 0.37 -0.69 3.43 0.00 0.23 0.14 119.26 124.33 1ub0 h ALA 141 Ca 0.50 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.40 1ub0 h ALA 141 Cb 0.73 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.45 1ub0 h ALA 141 CO -0.37 -0.24 0.36 0.93 0.00 0.00 0.00 179.25 179.93 1ub0 h GLU 142 N 0.31 0.97 0.14 0.00 5.08 0.11 -0.81 114.58 120.39 1ub0 h GLU 142 Ca 0.13 -0.12 -0.01 0.00 -1.00 0.00 0.00 59.36 58.36 1ub0 h GLU 142 Cb 0.05 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.12 1ub0 h GLU 142 CO -0.10 0.74 -0.07 0.00 -1.00 0.00 0.00 179.01 178.59 1ub0 h ALA 143 N 1.18 -0.19 -0.25 3.43 0.00 -0.22 2.01 119.26 125.21 1ub0 h ALA 143 Ca 0.24 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 55.10 1ub0 h ALA 143 Cb 0.07 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 1ub0 h ALA 143 CO -0.04 -0.59 0.13 -0.07 0.00 0.00 0.00 179.25 178.69 1ub0 h LEU 144 N -0.23 0.21 0.00 0.00 3.38 -0.58 -3.10 115.31 114.99 1ub0 h LEU 144 Ca -0.02 0.01 -0.23 0.00 0.09 0.00 0.00 57.88 57.73 1ub0 h LEU 144 Cb 0.18 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 40.86 1ub0 h LEU 144 CO 0.03 0.16 -1.17 -0.07 0.09 0.00 0.00 178.44 177.47 1ub0 h LEU 145 N 0.28 0.00 0.00 1.67 3.38 -1.08 -3.48 115.31 116.08 1ub0 h LEU 145 Ca 0.10 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.06 1ub0 h LEU 145 Cb 0.01 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.76 1ub0 h LEU 145 CO -0.06 1.00 0.00 0.61 0.09 0.00 0.00 178.44 180.09 1ub0 n GLY 146 N 1.40 2.40 3.72 0.83 0.00 0.68 -5.01 105.19 109.21 1ub0 n GLY 146 Ca -0.04 -0.58 -0.32 0.00 0.00 0.00 0.00 46.02 45.08 1ub0 n GLY 146 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1ub0 s ARG 147 N 0.00 1.81 0.19 1.61 1.70 -1.24 -4.84 118.95 118.18 1ub0 s ARG 147 Ca 0.00 1.54 -0.10 0.00 -0.47 0.00 0.00 55.73 56.70 1ub0 s ARG 147 Cb 0.00 -1.82 -0.07 0.00 -0.57 0.00 0.00 34.95 32.49 1ub0 s ARG 147 CO 0.00 -2.04 0.52 -1.25 -1.08 0.00 0.00 175.30 171.45 1ub0 s PRO 148 N -4.39 3.81 -0.10 3.89 0.04 -1.26 -4.45 135.00 132.53 1ub0 s PRO 148 Ca 0.68 0.26 0.01 0.00 0.04 0.00 0.00 61.00 62.00 1ub0 s PRO 148 Cb -0.24 -2.74 0.02 0.00 0.04 0.00 0.00 34.50 31.58 1ub0 s PRO 148 CO 0.52 0.38 -0.13 0.42 0.04 0.00 0.00 177.00 178.22 1ub0 s ILE 149 N -1.71 1.36 0.00 0.56 1.01 -1.26 -4.97 121.20 116.18 1ub0 s ILE 149 Ca 0.44 -0.55 0.00 0.00 0.00 0.00 0.00 60.65 60.54 1ub0 s ILE 149 Cb -0.12 -1.26 0.00 0.00 0.01 0.00 0.00 42.46 41.09 1ub0 s ILE 149 CO 0.21 0.41 0.03 -2.11 0.00 0.00 0.00 174.94 173.49 1ub0 n ARG 150 N 4.30 0.00 -4.01 2.79 1.85 -1.26 -5.04 116.66 115.28 1ub0 n ARG 150 Ca -0.18 -0.03 -0.08 0.00 -1.00 0.00 0.00 57.85 56.55 1ub0 n ARG 150 Cb 0.51 -0.29 -0.10 0.00 -1.05 0.00 0.00 32.46 31.53 1ub0 n ARG 150 CO 0.00 0.00 0.00 0.95 -0.01 0.00 0.00 177.63 178.57 1ub0 s THR 151 N 0.00 0.17 0.11 8.89 -4.23 -1.26 -4.99 115.64 114.33 1ub0 s THR 151 Ca 0.00 -1.42 -0.25 0.00 -1.18 0.00 0.00 61.69 58.84 1ub0 s THR 151 Cb 0.00 -1.11 -0.07 0.00 1.34 0.00 0.00 72.50 72.66 1ub0 s THR 151 CO 0.00 -0.78 1.65 0.25 -0.54 0.00 0.00 174.62 175.20 1ub0 h LEU 152 N 3.55 -0.60 -0.93 4.79 6.46 -1.97 0.34 115.31 126.94 1ub0 h LEU 152 Ca -0.33 0.08 0.09 0.00 -0.12 0.00 0.00 57.88 57.60 1ub0 h LEU 152 Cb 1.17 0.24 -0.07 0.00 -0.73 0.00 0.00 40.66 41.27 1ub0 h LEU 152 CO 0.57 -0.28 0.58 0.11 -0.62 0.00 0.00 178.44 178.79 1ub0 h LYS 153 N -0.36 0.95 0.00 1.25 1.79 -1.97 0.12 116.57 118.35 1ub0 h LYS 153 Ca 0.04 -0.06 -0.10 0.00 -2.18 0.00 0.00 60.65 58.36 1ub0 h LYS 153 Cb 0.41 -0.22 -0.01 0.00 -1.58 0.00 0.00 32.23 30.83 1ub0 h LYS 153 CO -0.16 0.63 -0.47 1.49 -1.08 0.00 0.00 179.45 179.87 1ub0 h GLU 154 N 0.98 0.00 -0.21 3.15 4.81 -1.78 -2.38 114.58 119.16 1ub0 h GLU 154 Ca 0.44 0.00 -0.13 0.00 -0.13 0.00 0.00 59.36 59.53 1ub0 h GLU 154 Cb 0.32 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.70 1ub0 h GLU 154 CO -0.22 0.47 -0.39 0.00 -0.73 0.00 0.00 179.01 178.13 1ub0 h ALA 155 N 1.53 0.32 -0.79 2.92 0.00 0.18 -2.20 119.26 121.23 1ub0 h ALA 155 Ca -0.00 -0.45 -0.02 0.00 0.00 0.00 0.00 54.91 54.44 1ub0 h ALA 155 Cb 0.82 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.52 1ub0 h ALA 155 CO 0.06 0.42 0.42 0.93 0.00 0.00 0.00 179.25 181.08 1ub0 h GLU 156 N 0.31 1.10 -0.62 0.00 5.08 -0.67 0.22 114.58 120.01 1ub0 h GLU 156 Ca 0.01 -0.13 -0.08 0.00 -1.00 0.00 0.00 59.36 58.16 1ub0 h GLU 156 Cb 0.99 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 30.00 1ub0 h GLU 156 CO 0.09 0.81 0.07 0.93 -1.00 0.00 0.00 179.01 179.91 1ub0 h GLU 157 N 1.10 1.03 0.25 2.33 5.08 -1.38 -1.73 114.58 121.26 1ub0 h GLU 157 Ca 0.28 -0.28 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 1ub0 h GLU 157 Cb 0.05 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.18 1ub0 h GLU 157 CO -0.04 0.96 -0.12 0.00 -1.00 0.00 0.00 179.01 178.81 1ub0 h ALA 158 N 1.11 -0.33 -0.30 3.43 0.00 -0.61 0.18 119.26 122.74 1ub0 h ALA 158 Ca 0.19 -0.08 0.07 0.00 0.00 0.00 0.00 54.91 55.09 1ub0 h ALA 158 Cb 0.45 0.13 -0.07 0.00 0.00 0.00 0.00 17.79 18.30 1ub0 h ALA 158 CO 0.02 -0.68 -0.19 0.00 0.00 0.00 0.00 179.25 178.40 1ub0 h ALA 159 N 0.40 0.02 -0.52 0.00 0.00 -0.81 0.28 119.26 118.63 1ub0 h ALA 159 Ca -0.03 0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 1ub0 h ALA 159 Cb 0.27 0.43 -0.03 0.00 0.00 0.00 0.00 17.79 18.47 1ub0 h ALA 159 CO 0.06 -0.59 0.29 0.87 0.00 0.00 0.00 179.25 179.88 1ub0 h LYS 160 N -0.16 0.71 -0.47 0.00 1.57 -1.09 -1.74 116.57 115.38 1ub0 h LYS 160 Ca 0.16 -0.07 -0.03 0.00 -1.87 0.00 0.00 60.65 58.84 1ub0 h LYS 160 Cb 0.40 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.54 1ub0 h LYS 160 CO -0.40 0.52 0.17 0.00 -0.57 0.00 0.00 179.45 179.17 1ub0 h ALA 161 N 1.60 0.62 -0.09 3.86 0.00 0.13 -2.55 119.26 122.82 1ub0 h ALA 161 Ca 0.19 -0.16 -0.08 0.00 0.00 0.00 0.00 54.91 54.85 1ub0 h ALA 161 Cb 0.01 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 1ub0 h ALA 161 CO -0.03 0.25 -0.31 -0.07 0.00 0.00 0.00 179.25 179.09 1ub0 h LEU 162 N 0.62 0.17 -1.78 0.00 3.38 -0.56 -2.45 115.31 114.70 1ub0 h LEU 162 Ca 0.15 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 1ub0 h LEU 162 Cb 0.23 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 1ub0 h LEU 162 CO -0.01 0.48 0.07 0.25 0.09 0.00 0.00 178.44 179.32 1ub0 h LEU 163 N 0.15 0.19 0.00 1.67 5.85 -0.92 -0.81 115.31 121.45 1ub0 h LEU 163 Ca 0.02 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.73 1ub0 h LEU 163 Cb 0.62 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.61 1ub0 h LEU 163 CO 0.05 0.17 0.00 0.00 -0.34 0.00 0.00 178.44 178.31 1ub0 n ALA 164 N -2.51 1.84 1.34 1.25 0.00 -0.92 -2.53 120.51 118.98 1ub0 n ALA 164 Ca -0.01 -0.06 0.15 0.00 0.00 0.00 0.00 53.44 53.51 1ub0 n ALA 164 Cb 0.11 -1.29 0.71 0.00 0.00 0.00 0.00 19.45 18.98 1ub0 n ALA 164 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1ub0 n LEU 165 N -1.47 0.05 0.00 0.00 4.77 -0.31 -4.92 117.00 115.13 1ub0 n LEU 165 Ca 0.05 0.29 0.00 0.00 -0.03 0.00 0.00 56.01 56.32 1ub0 n LEU 165 Cb 0.20 -0.31 0.00 0.00 -2.33 0.00 0.00 43.42 40.97 1ub0 n LEU 165 CO 0.16 0.01 0.00 0.61 -1.33 0.00 0.00 177.39 176.84 1ub0 n GLY 166 N 1.33 1.06 3.75 -0.72 0.00 -1.05 -4.16 105.19 105.39 1ub0 n GLY 166 Ca 0.13 -0.13 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 1ub0 n GLY 166 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ub0 s PRO 167 N 0.00 3.08 0.00 1.61 0.04 -1.00 -4.60 135.00 134.13 1ub0 s PRO 167 Ca 0.00 2.13 0.26 0.00 0.04 0.00 0.00 61.00 63.43 1ub0 s PRO 167 Cb 0.00 -2.17 1.17 0.00 0.04 0.00 0.00 34.50 33.54 1ub0 s PRO 167 CO 0.00 -1.21 1.84 1.63 0.04 0.00 0.00 177.00 179.31 1ub0 n LYS 168 N -1.18 0.12 -3.55 4.56 5.02 -0.71 -4.80 118.16 117.61 1ub0 n LYS 168 Ca 0.11 0.05 -0.11 0.00 -2.02 0.00 0.00 58.31 56.35 1ub0 n LYS 168 Cb 0.46 -1.50 -0.05 0.00 -0.02 0.00 0.00 35.03 33.93 1ub0 n LYS 168 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1ub0 s ALA 169 N -2.87 -1.89 -0.04 7.82 0.00 -1.06 -4.48 121.76 119.25 1ub0 s ALA 169 Ca 0.16 1.42 0.00 0.00 0.00 0.00 0.00 51.96 53.55 1ub0 s ALA 169 Cb 0.17 -0.36 0.03 0.00 0.00 0.00 0.00 23.12 22.95 1ub0 s ALA 169 CO 0.45 -0.40 -0.01 0.08 0.00 0.00 0.00 175.76 175.87 1ub0 s VAL 170 N -1.57 0.31 -0.45 0.00 1.01 0.47 -2.24 120.40 117.93 1ub0 s VAL 170 Ca -0.01 0.02 -0.02 0.00 0.00 0.00 0.00 61.98 61.97 1ub0 s VAL 170 Cb -0.01 -0.39 0.12 0.00 0.00 0.00 0.00 36.38 36.10 1ub0 s VAL 170 CO 0.00 0.18 0.24 -0.22 0.00 0.00 0.00 175.10 175.30 1ub0 s LEU 171 N 1.10 5.19 -0.44 3.92 2.96 0.13 0.28 118.68 131.83 1ub0 s LEU 171 Ca -0.09 -2.22 -0.22 0.00 -0.22 0.00 0.00 54.13 51.39 1ub0 s LEU 171 Cb -0.14 -1.81 0.02 0.00 0.50 0.00 0.00 46.19 44.76 1ub0 s LEU 171 CO -0.01 -0.49 0.70 -0.22 -1.32 0.00 0.00 176.35 175.00 1ub0 s LEU 172 N 0.87 4.40 0.34 -0.68 0.20 0.10 -2.98 118.68 120.92 1ub0 s LEU 172 Ca 0.10 -0.22 -0.25 0.00 0.69 0.00 0.00 54.13 54.44 1ub0 s LEU 172 Cb -0.22 -2.82 -0.10 0.00 -0.43 0.00 0.00 46.19 42.62 1ub0 s LEU 172 CO -0.04 -0.82 0.96 -0.54 -0.29 0.00 0.00 176.35 175.62 1ub0 s LYS 173 N 2.99 4.50 -1.45 1.98 1.02 -0.11 -1.25 119.74 127.42 1ub0 s LYS 173 Ca 0.25 1.35 -0.05 0.00 0.02 0.00 0.00 55.97 57.54 1ub0 s LYS 173 Cb -0.13 -2.72 0.02 0.00 -0.52 0.00 0.00 37.83 34.48 1ub0 s LYS 173 CO 0.20 0.20 0.47 0.41 -0.92 0.00 0.00 175.35 175.71 1ub0 n GLY 174 N 0.45 -0.51 0.37 -3.33 0.00 -1.21 -1.61 105.19 99.34 1ub0 n GLY 174 Ca 0.03 0.10 0.12 0.00 0.00 0.00 0.00 46.02 46.26 1ub0 n GLY 174 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1ub0 h GLY 175 N -1.02 0.99 -5.91 -0.02 0.00 -1.23 -3.41 103.07 92.46 1ub0 h GLY 175 Ca -0.48 -0.26 -0.20 0.00 0.00 0.00 0.00 47.33 46.39 1ub0 h GLY 175 CO 0.54 0.11 -0.51 -1.58 0.00 0.00 0.00 176.54 175.11 1ub0 s HIS 176 N -5.59 -0.27 -0.34 5.60 5.65 -1.17 -4.55 115.29 114.62 1ub0 s HIS 176 Ca -0.09 0.66 -0.12 0.00 0.25 0.00 0.00 55.06 55.76 1ub0 s HIS 176 Cb 0.21 0.03 -0.01 0.00 -1.18 0.00 0.00 32.58 31.63 1ub0 s HIS 176 CO 0.78 -0.19 0.22 -0.48 -0.65 0.00 0.00 174.74 174.42 1ub0 s LEU 177 N 0.95 4.51 0.00 8.88 2.34 -1.26 -1.45 118.68 132.64 1ub0 s LEU 177 Ca -0.07 -0.54 0.00 0.00 0.06 0.00 0.00 54.13 53.58 1ub0 s LEU 177 Cb -0.08 -2.10 0.00 0.00 -0.56 0.00 0.00 46.19 43.45 1ub0 s LEU 177 CO -0.06 -0.26 0.76 -0.62 -1.06 0.00 0.00 176.35 175.11 1ub0 n GLU 181 N 5.08 0.00 -3.64 1.48 1.02 -1.26 -4.78 120.64 118.53 1ub0 n GLU 181 Ca -0.13 0.45 -0.38 0.00 -0.02 0.00 0.00 57.16 57.09 1ub0 n GLU 181 Cb 0.49 -1.26 -0.11 0.00 -0.02 0.00 0.00 31.44 30.53 1ub0 n GLU 181 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1ub0 s ALA 182 N -2.90 3.41 -0.09 0.62 0.00 -1.24 -5.03 121.76 116.53 1ub0 s ALA 182 Ca 0.00 -1.11 0.02 0.00 0.00 0.00 0.00 51.96 50.87 1ub0 s ALA 182 Cb 0.00 -2.35 -0.02 0.00 0.00 0.00 0.00 23.12 20.75 1ub0 s ALA 182 CO 0.00 -0.54 -0.13 0.14 0.00 0.00 0.00 175.76 175.23 1ub0 s VAL 183 N 1.71 3.12 0.01 0.00 -7.23 -0.53 -2.76 120.40 114.73 1ub0 s VAL 183 Ca 0.07 -0.67 0.02 0.00 -1.81 0.00 0.00 61.98 59.59 1ub0 s VAL 183 Cb -0.16 -2.27 -0.04 0.00 0.56 0.00 0.00 36.38 34.48 1ub0 s VAL 183 CO 0.09 0.56 -0.01 -1.81 -0.31 0.00 0.00 175.10 173.61 1ub0 s ASP 184 N -0.22 5.00 -0.15 4.85 1.01 -0.48 -1.17 116.67 125.51 1ub0 s ASP 184 Ca 0.01 -0.06 -0.03 0.00 0.71 0.00 0.00 52.55 53.18 1ub0 s ASP 184 Cb -0.13 -1.26 -0.02 0.00 1.01 0.00 0.00 42.92 42.52 1ub0 s ASP 184 CO 0.03 0.26 -0.07 -0.76 0.21 0.00 0.00 175.17 174.84 1ub0 s LEU 185 N -1.65 3.04 -0.36 1.23 1.43 -0.38 -1.06 118.68 120.93 1ub0 s LEU 185 Ca 0.20 -0.22 -0.07 0.00 -1.03 0.00 0.00 54.13 53.01 1ub0 s LEU 185 Cb -0.11 -1.72 0.04 0.00 0.03 0.00 0.00 46.19 44.43 1ub0 s LEU 185 CO 0.11 0.15 0.14 -0.22 0.23 0.00 0.00 176.35 176.76 1ub0 s LEU 186 N 0.47 4.52 -0.15 1.79 2.96 -0.35 -0.72 118.68 127.20 1ub0 s LEU 186 Ca -0.06 -1.19 -0.04 0.00 -0.22 0.00 0.00 54.13 52.63 1ub0 s LEU 186 Cb -0.15 -1.91 -0.03 0.00 0.50 0.00 0.00 46.19 44.60 1ub0 s LEU 186 CO 0.03 -0.37 -0.03 0.00 -1.32 0.00 0.00 176.35 174.66 1ub0 s ALA 187 N 1.42 3.05 0.30 5.97 0.00 0.14 -0.36 121.76 132.28 1ub0 s ALA 187 Ca -0.00 -0.81 0.02 0.00 0.00 0.00 0.00 51.96 51.17 1ub0 s ALA 187 Cb -0.20 -1.56 -0.05 0.00 0.00 0.00 0.00 23.12 21.31 1ub0 s ALA 187 CO 0.03 0.26 0.09 0.95 0.00 0.00 0.00 175.76 177.09 1ub0 s THR 188 N 0.22 0.75 0.61 0.00 -4.23 -0.30 -0.40 115.64 112.29 1ub0 s THR 188 Ca -0.02 -2.00 0.33 0.00 -1.18 0.00 0.00 61.69 58.82 1ub0 s THR 188 Cb -0.14 -2.66 0.38 0.00 1.34 0.00 0.00 72.50 71.42 1ub0 s THR 188 CO 0.03 0.00 2.26 0.08 -0.54 0.00 0.00 174.62 176.44 1ub0 h ARG 189 N 2.23 0.00 0.05 3.99 -0.00 -1.95 -2.06 114.38 116.64 1ub0 h ARG 189 Ca -0.38 0.00 -0.24 0.00 -0.00 0.00 0.00 59.98 59.36 1ub0 h ARG 189 Cb 1.25 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 31.22 1ub0 h ARG 189 CO 0.63 0.00 -1.05 0.78 -0.00 0.00 0.00 179.97 180.33 1ub0 h GLY 190 N 0.00 0.38 0.00 0.08 0.00 -1.95 -3.50 103.07 98.08 1ub0 h GLY 190 Ca 0.01 -0.77 0.00 0.00 0.00 0.00 0.00 47.33 46.58 1ub0 h GLY 190 CO -0.00 0.67 0.00 0.61 0.00 0.00 0.00 176.54 177.82 1ub0 n GLY 191 N 1.15 -1.62 3.45 4.60 0.00 -0.78 -5.15 105.19 106.85 1ub0 n GLY 191 Ca -0.07 -1.10 -0.33 0.00 0.00 0.00 0.00 46.02 44.52 1ub0 n GLY 191 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ub0 s VAL 192 N -2.65 3.13 0.25 1.61 1.01 -1.26 -1.15 120.40 121.33 1ub0 s VAL 192 Ca 0.00 -0.68 0.11 0.00 0.00 0.00 0.00 61.98 61.41 1ub0 s VAL 192 Cb 0.00 -2.26 -0.05 0.00 0.00 0.00 0.00 36.38 34.07 1ub0 s VAL 192 CO 0.00 0.57 -0.15 -0.76 0.00 0.00 0.00 175.10 174.76 1ub0 s LEU 193 N -0.37 2.74 -0.09 3.92 1.43 0.52 -4.95 118.68 121.88 1ub0 s LEU 193 Ca 0.04 -0.86 0.02 0.00 -1.03 0.00 0.00 54.13 52.31 1ub0 s LEU 193 Cb -0.12 -1.32 0.01 0.00 0.03 0.00 0.00 46.19 44.79 1ub0 s LEU 193 CO 0.02 0.06 -0.16 -0.13 0.23 0.00 0.00 176.35 176.36 1ub0 s ARG 194 N -3.29 2.26 -0.10 1.70 0.52 -1.26 -1.21 118.95 117.56 1ub0 s ARG 194 Ca 0.28 -0.59 -0.00 0.00 -0.52 0.00 0.00 55.73 54.89 1ub0 s ARG 194 Cb -0.06 -1.83 -0.03 0.00 0.52 0.00 0.00 34.95 33.55 1ub0 s ARG 194 CO 0.15 0.03 -0.08 -0.06 0.02 0.00 0.00 175.30 175.36 1ub0 s PHE 195 N 0.71 2.90 -0.10 -0.53 0.40 -0.22 -4.97 117.98 116.17 1ub0 s PHE 195 Ca -0.12 -0.23 0.01 0.00 -0.60 0.00 0.00 56.93 55.98 1ub0 s PHE 195 Cb -0.16 -1.79 -0.02 0.00 0.51 0.00 0.00 43.02 41.55 1ub0 s PHE 195 CO 0.03 0.10 -0.12 0.45 0.70 0.00 0.00 175.22 176.38 1ub0 s SER 196 N -0.23 4.16 0.00 1.36 0.15 -1.26 -1.39 113.70 116.48 1ub0 s SER 196 Ca 0.03 -0.24 0.01 0.00 0.70 0.00 0.00 55.95 56.45 1ub0 s SER 196 Cb -0.13 -1.35 -0.01 0.00 -1.71 0.00 0.00 66.02 62.82 1ub0 s SER 196 CO 0.03 0.24 -0.04 0.00 1.20 0.00 0.00 173.24 174.67 1ub0 s ALA 197 N -0.09 0.31 -0.00 5.45 0.00 -1.11 -5.04 121.76 121.28 1ub0 s ALA 197 Ca -0.01 -0.22 -0.32 0.00 0.00 0.00 0.00 51.96 51.40 1ub0 s ALA 197 Cb -0.14 -0.05 -0.10 0.00 0.00 0.00 0.00 23.12 22.83 1ub0 s ALA 197 CO 0.03 0.05 1.92 -2.30 0.00 0.00 0.00 175.76 175.47 1ub0 n PRO 198 N 2.80 2.57 -1.03 0.00 -0.02 -1.26 -3.70 135.00 134.35 1ub0 n PRO 198 Ca -0.14 0.94 -0.34 0.00 -2.02 0.00 0.00 63.50 61.94 1ub0 n PRO 198 Cb 0.58 -2.85 -0.04 0.00 -0.02 0.00 0.00 33.50 31.18 1ub0 n PRO 198 CO 0.00 0.00 0.00 -2.13 1.98 0.00 0.00 175.50 175.35 1ub0 n ARG 199 N 6.94 1.92 -1.97 -0.52 3.00 -1.26 -4.91 116.66 119.86 1ub0 n ARG 199 Ca 0.21 -1.76 -0.42 0.00 -0.00 0.00 0.00 57.85 55.88 1ub0 n ARG 199 Cb 0.36 -2.75 -0.03 0.00 0.00 0.00 0.00 32.46 30.04 1ub0 n ARG 199 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 1ub0 s VAL 200 N 4.12 3.24 -0.11 5.15 0.11 -1.26 -4.99 120.40 126.65 1ub0 s VAL 200 Ca 0.50 0.58 -0.13 0.00 -2.93 0.00 0.00 61.98 60.00 1ub0 s VAL 200 Cb 0.13 -3.37 -0.05 0.00 -1.53 0.00 0.00 36.38 31.56 1ub0 s VAL 200 CO 0.03 -0.02 0.31 -1.38 -3.33 0.00 0.00 175.10 170.71 1ub0 s HIS 201 N 3.04 3.55 0.02 1.54 -3.43 -1.26 -5.06 115.29 113.68 1ub0 s HIS 201 Ca 0.73 0.70 -0.29 0.00 -0.80 0.00 0.00 55.06 55.41 1ub0 s HIS 201 Cb -0.37 -2.27 0.10 0.00 -1.43 0.00 0.00 32.58 28.60 1ub0 s HIS 201 CO 0.31 0.42 0.96 -0.08 -2.00 0.00 0.00 174.74 174.35 1ub0 s THR 202 N -0.16 0.00 0.11 -5.38 -1.32 -1.26 -5.04 115.64 102.59 1ub0 s THR 202 Ca 0.18 -0.17 0.06 0.00 -1.21 0.00 0.00 61.69 60.55 1ub0 s THR 202 Cb -0.14 -1.29 -0.22 0.00 -1.51 0.00 0.00 72.50 69.34 1ub0 s THR 202 CO 0.07 0.00 1.23 0.08 -2.21 0.00 0.00 174.62 173.79 1ub0 h ARG 203 N 2.00 0.03 -5.46 7.08 0.11 -1.96 -3.40 114.38 112.77 1ub0 h ARG 203 Ca -0.22 -0.04 -0.55 0.00 0.10 0.00 0.00 59.98 59.27 1ub0 h ARG 203 Cb 1.23 0.02 -0.05 0.00 1.11 0.00 0.00 29.97 32.27 1ub0 h ARG 203 CO 0.29 1.00 1.86 0.09 0.10 0.00 0.00 179.97 183.30 1ub0 n ASN 204 N -3.35 3.98 -0.16 0.08 4.13 -1.26 -3.76 115.26 114.92 1ub0 n ASN 204 Ca -0.02 -2.81 0.02 0.00 1.68 0.00 0.00 54.58 53.45 1ub0 n ASN 204 Cb 0.95 -1.70 0.01 0.00 -1.54 0.00 0.00 39.78 37.51 1ub0 n ASN 204 CO 0.00 0.00 0.00 0.35 0.28 0.00 0.00 177.26 177.89 1ub0 n THR 205 N 6.80 0.00 -1.97 3.41 -2.24 -1.19 -4.67 114.28 114.42 1ub0 n THR 205 Ca 0.48 -0.49 -0.42 0.00 -2.27 0.00 0.00 64.05 61.35 1ub0 n THR 205 Cb 0.45 1.08 -0.03 0.00 -2.10 0.00 0.00 70.33 69.74 1ub0 n THR 205 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 1ub0 s HIS 206 N -0.53 2.55 0.00 4.78 5.04 -1.13 -2.66 115.29 123.34 1ub0 s HIS 206 Ca 0.05 0.42 0.00 0.00 -1.54 0.00 0.00 55.06 53.99 1ub0 s HIS 206 Cb 0.04 -3.92 0.00 0.00 0.04 0.00 0.00 32.58 28.74 1ub0 s HIS 206 CO 0.07 -3.62 0.00 0.41 -2.34 0.00 0.00 174.74 169.26 1ub0 n GLY 207 N 3.92 0.61 0.34 1.59 0.00 -1.26 -4.06 105.19 106.33 1ub0 n GLY 207 Ca 0.15 -0.47 -0.16 0.00 0.00 0.00 0.00 46.02 45.54 1ub0 n GLY 207 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1ub0 h THR 208 N 0.00 0.37 -0.84 2.61 2.02 -1.83 -0.00 112.91 115.23 1ub0 h THR 208 Ca 0.00 -0.17 -0.03 0.00 0.77 0.00 0.00 66.41 66.98 1ub0 h THR 208 Cb 0.00 0.43 -0.04 0.00 -1.74 0.00 0.00 68.15 66.80 1ub0 h THR 208 CO 0.00 0.02 0.40 1.23 0.37 0.00 0.00 175.52 177.55 1ub0 h GLY 209 N -0.92 1.30 0.93 2.16 0.00 -1.94 -1.97 103.07 102.64 1ub0 h GLY 209 Ca -0.08 -0.65 -0.02 0.00 0.00 0.00 0.00 47.33 46.58 1ub0 h GLY 209 CO 0.13 0.61 0.14 0.00 0.00 0.00 0.00 176.54 177.43 1ub0 h THR 211 N 0.40 1.20 0.02 0.00 2.02 -0.79 -1.95 112.91 113.82 1ub0 h THR 211 Ca 0.11 -0.74 -0.00 0.00 0.77 0.00 0.00 66.41 66.55 1ub0 h THR 211 Cb 0.16 0.77 0.00 0.00 -1.74 0.00 0.00 68.15 67.35 1ub0 h THR 211 CO -0.01 0.27 -0.01 0.25 0.37 0.00 0.00 175.52 176.39 1ub0 h LEU 212 N 0.65 -0.03 -1.39 2.58 5.85 -1.10 -1.61 115.31 120.27 1ub0 h LEU 212 Ca 0.14 -0.33 -0.06 0.00 0.84 0.00 0.00 57.88 58.48 1ub0 h LEU 212 Cb 0.27 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.30 1ub0 h LEU 212 CO 0.00 0.31 -0.21 0.77 -0.34 0.00 0.00 178.44 178.97 1ub0 h SER 213 N -0.37 0.13 -0.31 1.25 4.64 -1.30 -1.57 113.55 116.02 1ub0 h SER 213 Ca -0.00 -0.03 -0.18 0.00 -0.47 0.00 0.00 61.79 61.10 1ub0 h SER 213 Cb 0.35 -0.03 -0.00 0.00 -0.31 0.00 0.00 62.40 62.40 1ub0 h SER 213 CO 0.01 0.36 -0.51 0.00 -0.87 0.00 0.00 176.83 175.81 1ub0 h ALA 214 N 1.66 0.49 -0.47 5.18 0.00 -1.29 -1.81 119.26 123.02 1ub0 h ALA 214 Ca 0.02 -0.50 -0.11 0.00 0.00 0.00 0.00 54.91 54.32 1ub0 h ALA 214 Cb 0.46 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 1ub0 h ALA 214 CO 0.03 0.68 -0.14 0.00 0.00 0.00 0.00 179.25 179.82 1ub0 h ALA 215 N 0.71 0.86 -0.34 0.00 0.00 -0.93 -0.22 119.26 119.33 1ub0 h ALA 215 Ca 0.03 -0.35 -0.03 0.00 0.00 0.00 0.00 54.91 54.56 1ub0 h ALA 215 Cb 1.12 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 1ub0 h ALA 215 CO 0.12 0.64 0.11 0.82 0.00 0.00 0.00 179.25 180.94 1ub0 h ILE 216 N 0.79 1.21 -0.56 0.00 2.04 -1.24 -0.07 117.51 119.69 1ub0 h ILE 216 Ca 0.12 -0.68 -0.01 0.00 1.00 0.00 0.00 64.86 65.30 1ub0 h ILE 216 Cb 0.67 1.01 -0.03 0.00 -0.74 0.00 0.00 36.82 37.73 1ub0 h ILE 216 CO 0.05 0.23 0.32 0.00 0.00 0.00 0.00 178.15 178.76 1ub0 h ALA 217 N 0.95 0.72 -0.64 1.87 0.00 -1.13 -0.24 119.26 120.78 1ub0 h ALA 217 Ca 0.11 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1ub0 h ALA 217 Cb 0.25 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 1ub0 h ALA 217 CO -0.00 0.22 0.37 0.00 0.00 0.00 0.00 179.25 179.83 1ub0 h ALA 218 N 1.15 0.82 -0.47 0.00 0.00 -0.75 -0.76 119.26 119.26 1ub0 h ALA 218 Ca 0.20 -0.09 -0.11 0.00 0.00 0.00 0.00 54.91 54.90 1ub0 h ALA 218 Cb 0.01 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 1ub0 h ALA 218 CO -0.03 0.32 -0.17 -0.07 0.00 0.00 0.00 179.25 179.30 1ub0 h LEU 219 N 0.87 0.91 -0.94 0.00 3.38 -0.65 -2.34 115.31 116.54 1ub0 h LEU 219 Ca 0.23 -0.31 -0.06 0.00 0.09 0.00 0.00 57.88 57.83 1ub0 h LEU 219 Cb 0.01 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.48 1ub0 h LEU 219 CO -0.04 1.06 0.14 -0.07 0.09 0.00 0.00 178.44 179.62 1ub0 h LEU 220 N 0.79 0.86 -1.62 1.67 3.38 -0.76 -1.55 115.31 118.08 1ub0 h LEU 220 Ca 0.12 -0.16 -0.04 0.00 0.09 0.00 0.00 57.88 57.89 1ub0 h LEU 220 Cb 0.70 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.22 1ub0 h LEU 220 CO 0.05 0.84 -0.15 0.00 0.09 0.00 0.00 178.44 179.27 1ub0 h ALA 221 N 1.27 1.69 -0.12 1.53 0.00 -0.73 -1.59 119.26 121.30 1ub0 h ALA 221 Ca 0.19 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1ub0 h ALA 221 Cb 0.32 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1ub0 h ALA 221 CO -0.00 0.24 0.00 1.63 0.00 0.00 0.00 179.25 181.11 1ub0 n LYS 222 N -4.33 1.52 -0.29 0.00 5.02 -0.81 -4.84 118.16 114.43 1ub0 n LYS 222 Ca -0.02 -0.79 0.00 0.00 -2.02 0.00 0.00 58.31 55.48 1ub0 n LYS 222 Cb 0.23 -1.36 0.00 0.00 -0.02 0.00 0.00 35.03 33.88 1ub0 n LYS 222 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1ub0 n GLY 223 N 1.03 0.84 3.76 0.72 0.00 -0.60 -5.08 105.19 105.87 1ub0 n GLY 223 Ca 0.15 -0.09 -0.39 0.00 0.00 0.00 0.00 46.02 45.70 1ub0 n GLY 223 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ub0 s ARG 224 N -0.67 4.71 0.69 1.61 1.81 -0.65 -5.01 118.95 121.43 1ub0 s ARG 224 Ca 0.00 1.44 -0.15 0.00 -1.72 0.00 0.00 55.73 55.31 1ub0 s ARG 224 Cb 0.00 -3.06 0.01 0.00 -0.45 0.00 0.00 34.95 31.46 1ub0 s ARG 224 CO 0.00 0.38 1.13 -2.14 -0.68 0.00 0.00 175.30 173.99 1ub0 s PRO 225 N -1.59 2.60 0.11 3.54 0.02 -1.26 -4.45 135.00 133.96 1ub0 s PRO 225 Ca 0.45 1.45 -0.29 0.00 0.02 0.00 0.00 61.00 62.63 1ub0 s PRO 225 Cb -0.23 -1.92 -0.11 0.00 0.02 0.00 0.00 34.50 32.26 1ub0 s PRO 225 CO 0.29 -1.42 1.48 1.25 -0.33 0.00 0.00 177.00 178.27 1ub0 h LEU 226 N -0.15 -1.56 -0.80 -5.54 5.85 -1.98 0.16 115.31 111.29 1ub0 h LEU 226 Ca -0.47 0.19 0.13 0.00 0.84 0.00 0.00 57.88 58.58 1ub0 h LEU 226 Cb 1.25 0.62 -0.09 0.00 0.37 0.00 0.00 40.66 42.81 1ub0 h LEU 226 CO 0.53 -0.40 0.39 0.00 -0.34 0.00 0.00 178.44 178.62 1ub0 h ALA 227 N -0.36 1.17 -0.15 1.25 0.00 -2.00 -0.15 119.26 119.02 1ub0 h ALA 227 Ca 0.04 0.09 -0.13 0.00 0.00 0.00 0.00 54.91 54.90 1ub0 h ALA 227 Cb 0.57 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 1ub0 h ALA 227 CO -0.43 -0.11 -0.47 1.49 0.00 0.00 0.00 179.25 179.73 1ub0 h GLU 228 N 0.58 0.38 -0.46 0.00 4.57 -1.81 -2.28 114.58 115.56 1ub0 h GLU 228 Ca 0.43 -0.21 -0.03 0.00 -1.18 0.00 0.00 59.36 58.37 1ub0 h GLU 228 Cb 0.59 0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 29.17 1ub0 h GLU 228 CO -0.35 0.78 0.16 0.00 -1.18 0.00 0.00 179.01 178.41 1ub0 h ALA 229 N 1.19 0.60 -0.50 2.92 0.00 0.98 -1.00 119.26 123.46 1ub0 h ALA 229 Ca 0.02 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.73 1ub0 h ALA 229 Cb 0.95 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.54 1ub0 h ALA 229 CO 0.08 0.23 0.19 0.28 0.00 0.00 0.00 179.25 180.03 1ub0 h VAL 230 N 0.60 1.22 -0.39 0.00 2.07 -1.03 0.10 116.25 118.82 1ub0 h VAL 230 Ca 0.15 -0.69 -0.03 0.00 0.82 0.00 0.00 66.70 66.95 1ub0 h VAL 230 Cb 0.23 0.74 -0.02 0.00 -1.52 0.00 0.00 31.29 30.72 1ub0 h VAL 230 CO -0.01 0.26 0.13 0.00 0.02 0.00 0.00 177.57 177.97 1ub0 h ALA 231 N 1.04 0.51 -0.09 1.67 0.00 -1.24 -0.32 119.26 120.83 1ub0 h ALA 231 Ca 0.16 -0.16 -0.12 0.00 0.00 0.00 0.00 54.91 54.80 1ub0 h ALA 231 Cb 0.22 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1ub0 h ALA 231 CO -0.01 0.14 -0.47 0.93 0.00 0.00 0.00 179.25 179.85 1ub0 h GLU 232 N 0.48 0.22 -0.32 0.00 5.08 -1.08 -1.42 114.58 117.55 1ub0 h GLU 232 Ca 0.13 -0.11 -0.06 0.00 -1.00 0.00 0.00 59.36 58.31 1ub0 h GLU 232 Cb 0.24 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.48 1ub0 h GLU 232 CO -0.01 0.64 -0.05 0.00 -1.00 0.00 0.00 179.01 178.60 1ub0 h ALA 233 N 1.34 0.44 -0.53 3.43 0.00 -0.53 -1.69 119.26 121.71 1ub0 h ALA 233 Ca 0.01 -0.27 -0.06 0.00 0.00 0.00 0.00 54.91 54.59 1ub0 h ALA 233 Cb 0.89 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.54 1ub0 h ALA 233 CO 0.07 0.24 0.10 0.87 0.00 0.00 0.00 179.25 180.53 1ub0 h LYS 234 N 0.38 0.83 -0.61 0.00 1.57 -0.88 -0.41 116.57 117.45 1ub0 h LYS 234 Ca 0.08 -0.18 -0.07 0.00 -1.87 0.00 0.00 60.65 58.61 1ub0 h LYS 234 Cb 0.52 -0.12 -0.03 0.00 0.08 0.00 0.00 32.23 32.69 1ub0 h LYS 234 CO 0.03 0.77 0.09 0.00 -0.57 0.00 0.00 179.45 179.76 1ub0 h ALA 235 N 1.31 1.01 -0.28 3.86 0.00 -1.11 -1.55 119.26 122.50 1ub0 h ALA 235 Ca 0.17 -0.26 -0.05 0.00 0.00 0.00 0.00 54.91 54.77 1ub0 h ALA 235 Cb 0.33 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1ub0 h ALA 235 CO 0.00 0.63 -0.02 -0.92 0.00 0.00 0.00 179.25 178.94 1ub0 h TYR 236 N 0.93 0.56 -0.44 0.00 3.20 -0.72 -2.65 116.97 117.85 1ub0 h TYR 236 Ca 0.19 -0.10 0.04 0.00 3.14 0.00 0.00 58.73 61.99 1ub0 h TYR 236 Cb 0.42 -0.14 -0.04 0.00 1.54 0.00 0.00 36.73 38.50 1ub0 h TYR 236 CO 0.03 0.67 0.21 1.25 -1.64 0.00 0.00 178.16 178.68 1ub0 h LEU 237 N 0.29 0.30 -0.56 2.82 5.85 -0.86 0.10 115.31 123.26 1ub0 h LEU 237 Ca 0.08 0.03 0.06 0.00 0.84 0.00 0.00 57.88 58.88 1ub0 h LEU 237 Cb 0.46 -0.03 -0.05 0.00 0.37 0.00 0.00 40.66 41.41 1ub0 h LEU 237 CO 0.02 0.22 0.28 0.74 -0.34 0.00 0.00 178.44 179.35 1ub0 h THR 238 N 0.43 0.92 -0.52 1.05 2.02 -1.21 0.18 112.91 115.77 1ub0 h THR 238 Ca 0.19 -0.18 -0.06 0.00 0.77 0.00 0.00 66.41 67.13 1ub0 h THR 238 Cb 0.11 0.35 -0.02 0.00 -1.74 0.00 0.00 68.15 66.85 1ub0 h THR 238 CO -0.14 0.10 0.07 0.03 0.37 0.00 0.00 175.52 175.95 1ub0 h ARG 239 N 0.52 0.88 -0.73 6.66 3.08 -1.04 -1.49 114.38 122.26 1ub0 h ARG 239 Ca 0.26 -0.24 0.01 0.00 0.07 0.00 0.00 59.98 60.08 1ub0 h ARG 239 Cb 0.19 -0.10 -0.04 0.00 0.08 0.00 0.00 29.97 30.11 1ub0 h ARG 239 CO -0.19 0.86 0.48 0.00 -1.07 0.00 0.00 179.97 180.06 1ub0 h ALA 240 N 0.98 1.50 -0.14 0.04 0.00 0.13 -2.61 119.26 119.16 1ub0 h ALA 240 Ca 0.16 -0.05 -0.17 0.00 0.00 0.00 0.00 54.91 54.85 1ub0 h ALA 240 Cb 0.42 -0.29 0.01 0.00 0.00 0.00 0.00 17.79 17.93 1ub0 h ALA 240 CO 0.01 0.45 -0.58 -0.07 0.00 0.00 0.00 179.25 179.07 1ub0 h LEU 241 N 0.97 0.76 -0.90 0.00 3.38 -0.42 -1.46 115.31 117.64 1ub0 h LEU 241 Ca 0.27 -0.62 0.04 0.00 0.09 0.00 0.00 57.88 57.67 1ub0 h LEU 241 Cb -0.08 -0.22 -0.06 0.00 0.09 0.00 0.00 40.66 40.39 1ub0 h LEU 241 CO -0.06 1.25 0.58 0.11 0.09 0.00 0.00 178.44 180.41 1ub0 h LYS 242 N 0.31 1.08 -0.51 1.13 1.57 -0.90 -2.85 116.57 116.40 1ub0 h LYS 242 Ca -0.03 -0.06 -0.21 0.00 -1.87 0.00 0.00 60.65 58.47 1ub0 h LYS 242 Cb 1.21 -0.24 -0.13 0.00 0.08 0.00 0.00 32.23 33.15 1ub0 h LYS 242 CO 0.12 0.71 0.12 0.25 -0.57 0.00 0.00 179.45 180.08 1ub0 n THR 243 N -4.53 2.68 -1.63 -0.16 -2.24 -1.09 -5.02 114.28 102.27 1ub0 n THR 243 Ca 0.12 -2.28 -0.45 0.00 -2.27 0.00 0.00 64.05 59.17 1ub0 n THR 243 Cb 0.11 -0.34 -0.02 0.00 -2.10 0.00 0.00 70.33 67.98 1ub0 n THR 243 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ub0 n ALA 244 N -0.88 0.39 -1.73 6.98 0.00 -1.08 -4.60 120.51 119.60 1ub0 n ALA 244 Ca 0.37 0.40 -0.31 0.00 0.00 0.00 0.00 53.44 53.90 1ub0 n ALA 244 Cb 1.18 -2.14 0.02 0.00 0.00 0.00 0.00 19.45 18.50 1ub0 n ALA 244 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1ub0 s PRO 245 N -1.11 3.38 -1.11 0.00 0.04 -1.26 -4.92 135.00 130.02 1ub0 s PRO 245 Ca 0.63 0.91 -0.15 0.00 0.04 0.00 0.00 61.00 62.44 1ub0 s PRO 245 Cb -0.68 -2.05 0.17 0.00 0.04 0.00 0.00 34.50 31.98 1ub0 s PRO 245 CO 0.56 -0.75 1.29 -1.54 0.04 0.00 0.00 177.00 176.60 1ub0 s SER 246 N -3.70 6.97 0.02 6.66 1.04 -1.26 -4.66 113.70 118.77 1ub0 s SER 246 Ca 0.58 -2.80 0.05 0.00 0.48 0.00 0.00 55.95 54.26 1ub0 s SER 246 Cb -0.13 -2.37 -0.02 0.00 0.10 0.00 0.00 66.02 63.61 1ub0 s SER 246 CO 0.49 -0.77 -0.16 -0.76 0.98 0.00 0.00 173.24 173.02 1ub0 s LEU 247 N 1.50 2.11 0.00 2.42 1.43 -1.26 -5.08 118.68 119.80 1ub0 s LEU 247 Ca 0.38 -0.39 0.00 0.00 -1.03 0.00 0.00 54.13 53.09 1ub0 s LEU 247 Cb -0.04 -0.76 0.00 0.00 0.03 0.00 0.00 46.19 45.42 1ub0 s LEU 247 CO -0.04 0.13 0.00 0.61 0.23 0.00 0.00 176.35 177.28 1ub0 n GLY 248 N 2.25 -1.14 0.00 -3.19 0.00 -1.26 -4.15 105.19 97.70 1ub0 n GLY 248 Ca -0.16 -1.61 0.09 0.00 0.00 0.00 0.00 46.02 44.34 1ub0 n GLY 248 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1ub0 n HIS 249 N -1.05 0.00 0.00 1.61 8.25 -1.26 -4.87 115.22 117.90 1ub0 n HIS 249 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1ub0 n HIS 249 Cb 0.00 -0.13 0.00 0.00 1.12 0.00 0.00 29.99 30.98 1ub0 n HIS 249 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1ub0 n GLY 250 N 1.43 1.04 3.48 -1.41 0.00 -1.26 -5.00 105.19 103.47 1ub0 n GLY 250 Ca 0.02 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.60 1ub0 n GLY 250 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1ub0 s HIS 251 N 3.12 2.94 1.10 1.61 0.09 -0.75 -4.85 115.29 118.55 1ub0 s HIS 251 Ca 0.00 -0.31 -0.13 0.00 -0.00 0.00 0.00 55.06 54.61 1ub0 s HIS 251 Cb 0.00 -3.76 0.24 0.00 -0.00 0.00 0.00 32.58 29.06 1ub0 s HIS 251 CO 0.00 -1.16 1.07 0.20 -0.00 0.00 0.00 174.74 174.84 1ub0 s GLY 252 N 2.74 1.55 0.77 -2.22 0.00 -1.25 -4.30 107.32 104.62 1ub0 s GLY 252 Ca 0.22 -0.38 -0.10 0.00 0.00 0.00 0.00 44.72 44.45 1ub0 s GLY 252 CO 0.15 0.32 1.13 2.56 0.00 0.00 0.00 173.10 177.25 1ub0 s PRO 253 N -4.84 2.04 0.76 2.90 0.04 -1.26 -2.84 135.00 131.80 1ub0 s PRO 253 Ca 0.67 -0.01 -0.09 0.00 0.04 0.00 0.00 61.00 61.61 1ub0 s PRO 253 Cb -0.20 -2.02 0.07 0.00 0.04 0.00 0.00 34.50 32.39 1ub0 s PRO 253 CO 0.60 -1.48 1.10 -0.51 0.04 0.00 0.00 177.00 176.75 1ub0 s LEU 254 N -5.47 2.67 -0.95 -3.56 1.43 -1.26 -4.11 118.68 107.43 1ub0 s LEU 254 Ca 0.61 0.58 -0.14 0.00 -1.03 0.00 0.00 54.13 54.16 1ub0 s LEU 254 Cb -0.11 -3.14 0.21 0.00 0.03 0.00 0.00 46.19 43.18 1ub0 s LEU 254 CO 0.48 -1.78 1.00 -0.62 0.23 0.00 0.00 176.35 175.66 1ub0 s ASP 255 N -4.56 6.89 0.06 2.29 3.68 -0.56 -4.66 116.67 119.81 1ub0 s ASP 255 Ca 0.61 -2.77 0.12 0.00 2.13 0.00 0.00 52.55 52.65 1ub0 s ASP 255 Cb -0.11 -2.28 0.53 0.00 -1.45 0.00 0.00 42.92 39.62 1ub0 s ASP 255 CO 0.47 -0.64 1.38 1.41 0.13 0.00 0.00 175.17 177.91 1ub0 n HIS 256 N 4.49 0.16 1.03 -5.34 8.25 -1.26 -1.56 115.22 120.98 1ub0 n HIS 256 Ca 0.21 0.07 0.14 0.00 -0.26 0.00 0.00 57.72 57.88 1ub0 n HIS 256 Cb 0.45 -0.61 0.62 0.00 1.12 0.00 0.00 29.99 31.57 1ub0 n HIS 256 CO 0.00 0.00 0.00 0.91 0.64 0.00 0.00 176.34 177.89 1ub0 n TRP 257 N -1.65 0.00 0.61 4.41 8.01 -1.26 -4.87 117.44 122.68 1ub0 n TRP 257 Ca 0.02 0.00 0.05 0.00 -1.31 0.00 0.00 57.50 56.26 1ub0 n TRP 257 Cb 0.12 -0.48 0.29 0.00 -2.01 0.00 0.00 31.31 29.23 1ub0 n TRP 257 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68