#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ub5 s ILE 2 N 0.00 4.74 -0.05 0.53 1.10 -1.26 -4.97 121.20 121.28 1ub5 s ILE 2 Ca 0.00 0.35 -0.24 0.00 -0.51 0.00 0.00 60.65 60.26 1ub5 s ILE 2 Cb 0.00 -4.25 -0.04 0.00 0.15 0.00 0.00 42.46 38.32 1ub5 s ILE 2 CO 0.00 -0.63 0.71 -0.69 -2.11 0.00 0.00 174.94 172.23 1ub5 s VAL 3 N 3.06 5.01 -0.23 4.00 1.01 -1.26 -4.72 120.40 127.27 1ub5 s VAL 3 Ca 0.27 1.48 -0.07 0.00 0.00 0.00 0.00 61.98 63.66 1ub5 s VAL 3 Cb -0.13 -4.05 -0.03 0.00 0.00 0.00 0.00 36.38 32.16 1ub5 s VAL 3 CO 0.20 0.26 0.07 -0.04 0.00 0.00 0.00 175.10 175.60 1ub5 s MET 4 N 0.70 3.74 -0.14 2.72 1.00 -1.26 -2.25 119.30 123.82 1ub5 s MET 4 Ca 0.38 -0.44 0.01 0.00 0.00 0.00 0.00 55.69 55.64 1ub5 s MET 4 Cb -0.18 -3.30 -0.00 0.00 0.00 0.00 0.00 34.83 31.35 1ub5 s MET 4 CO 0.19 -0.06 -0.17 0.99 0.00 0.00 0.00 175.02 175.96 1ub5 s THR 5 N 1.29 2.54 0.05 2.05 2.01 0.26 -4.24 115.64 119.60 1ub5 s THR 5 Ca 0.05 -0.83 0.00 0.00 0.31 0.00 0.00 61.69 61.23 1ub5 s THR 5 Cb -0.15 -2.04 -0.03 0.00 0.01 0.00 0.00 72.50 70.29 1ub5 s THR 5 CO 0.04 0.53 -0.05 -1.10 -0.69 0.00 0.00 174.62 173.35 1ub5 s GLN 6 N 0.62 0.53 0.42 4.92 -0.21 -1.26 -1.27 119.66 123.41 1ub5 s GLN 6 Ca -0.10 -0.94 -0.23 0.00 0.02 0.00 0.00 55.36 54.12 1ub5 s GLN 6 Cb -0.16 -0.00 -0.09 0.00 1.00 0.00 0.00 33.01 33.75 1ub5 s GLN 6 CO 0.03 -0.04 1.01 0.00 -2.12 0.00 0.00 175.29 174.16 1ub5 s ALA 7 N -2.52 3.03 0.39 6.09 0.00 -1.26 -4.73 121.76 122.76 1ub5 s ALA 7 Ca -0.03 0.57 0.15 0.00 0.00 0.00 0.00 51.96 52.65 1ub5 s ALA 7 Cb -0.02 -3.22 0.90 0.00 0.00 0.00 0.00 23.12 20.77 1ub5 s ALA 7 CO -0.04 -0.09 1.90 0.00 0.00 0.00 0.00 175.76 177.53 1ub5 h ALA 8 N 2.19 1.44 -2.45 0.00 0.00 -1.95 -3.35 119.26 115.15 1ub5 h ALA 8 Ca -0.49 -0.26 -0.26 0.00 0.00 0.00 0.00 54.91 53.90 1ub5 h ALA 8 Cb 1.20 -0.05 -0.15 0.00 0.00 0.00 0.00 17.79 18.80 1ub5 h ALA 8 CO 0.61 0.36 -0.63 -0.06 0.00 0.00 0.00 179.25 179.53 1ub5 s PHE 9 N -4.29 1.21 0.14 0.00 0.40 -1.26 -1.32 117.98 112.86 1ub5 s PHE 9 Ca -0.03 -1.26 0.03 0.00 -0.60 0.00 0.00 56.93 55.07 1ub5 s PHE 9 Cb 0.14 -0.65 -0.04 0.00 0.51 0.00 0.00 43.02 42.98 1ub5 s PHE 9 CO 0.70 -0.49 -0.07 -1.54 0.70 0.00 0.00 175.22 174.52 1ub5 s SER 10 N -3.18 1.47 0.59 1.36 1.04 -1.23 -4.87 113.70 108.89 1ub5 s SER 10 Ca 0.34 -1.04 -0.19 0.00 0.48 0.00 0.00 55.95 55.54 1ub5 s SER 10 Cb 0.07 0.05 -0.04 0.00 0.10 0.00 0.00 66.02 66.20 1ub5 s SER 10 CO 0.10 -0.42 1.20 0.20 0.98 0.00 0.00 173.24 175.29 1ub5 s ASN 11 N -3.13 5.22 0.39 7.02 0.01 -1.26 -4.56 114.94 118.63 1ub5 s ASN 11 Ca 0.16 2.35 -0.27 0.00 -0.71 0.00 0.00 52.86 54.40 1ub5 s ASN 11 Cb 0.04 -2.59 -0.11 0.00 0.41 0.00 0.00 41.25 39.00 1ub5 s ASN 11 CO -0.01 -1.57 1.37 -0.81 -1.51 0.00 0.00 177.10 174.58 1ub5 n PRO 12 N -1.61 2.28 -4.99 -0.60 -0.04 -1.26 -4.63 135.00 124.16 1ub5 n PRO 12 Ca 0.13 0.81 -0.32 0.00 -0.04 0.00 0.00 63.50 64.07 1ub5 n PRO 12 Cb 0.50 -2.50 -0.14 0.00 -0.04 0.00 0.00 33.50 31.32 1ub5 n PRO 12 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1ub5 s VAL 13 N -1.14 2.83 0.21 0.52 -7.23 0.57 -4.73 120.40 111.42 1ub5 s VAL 13 Ca 0.57 -0.82 -0.30 0.00 -1.81 0.00 0.00 61.98 59.62 1ub5 s VAL 13 Cb -0.50 -2.08 -0.08 0.00 0.56 0.00 0.00 36.38 34.27 1ub5 s VAL 13 CO 0.61 0.59 1.09 -0.89 -0.31 0.00 0.00 175.10 176.19 1ub5 s THR 14 N -0.71 3.77 0.31 5.32 2.01 -1.26 -1.39 115.64 123.70 1ub5 s THR 14 Ca 0.11 1.61 -0.29 0.00 0.31 0.00 0.00 61.69 63.43 1ub5 s THR 14 Cb -0.10 -4.03 -0.13 0.00 0.01 0.00 0.00 72.50 68.25 1ub5 s THR 14 CO 0.00 0.31 1.28 0.18 -0.69 0.00 0.00 174.62 175.71 1ub5 n LEU 15 N 1.99 3.21 0.00 4.42 4.77 -1.26 -1.54 117.00 128.59 1ub5 n LEU 15 Ca 0.01 1.19 0.00 0.00 -0.03 0.00 0.00 56.01 57.18 1ub5 n LEU 15 Cb 0.46 -1.44 0.00 0.00 -2.33 0.00 0.00 43.42 40.10 1ub5 n LEU 15 CO 0.54 -0.61 0.00 0.61 -1.33 0.00 0.00 177.39 176.60 1ub5 n GLY 16 N 1.15 1.59 3.88 -0.72 0.00 -0.31 -4.92 105.19 105.86 1ub5 n GLY 16 Ca 0.07 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.85 1ub5 n GLY 16 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1ub5 s THR 17 N -2.76 2.05 0.22 2.61 -4.23 -0.59 -4.23 115.64 108.72 1ub5 s THR 17 Ca 0.00 -1.45 -0.16 0.00 -1.18 0.00 0.00 61.69 58.90 1ub5 s THR 17 Cb 0.00 -2.51 -0.08 0.00 1.34 0.00 0.00 72.50 71.26 1ub5 s THR 17 CO 0.00 0.00 0.65 -0.44 -0.54 0.00 0.00 174.62 174.29 1ub5 s SER 18 N -4.20 6.87 0.08 3.99 0.01 -1.26 -1.15 113.70 118.04 1ub5 s SER 18 Ca 0.40 1.22 0.10 0.00 1.31 0.00 0.00 55.95 58.98 1ub5 s SER 18 Cb -0.02 -2.35 -0.03 0.00 0.21 0.00 0.00 66.02 63.83 1ub5 s SER 18 CO 0.24 -0.01 -0.26 0.00 0.41 0.00 0.00 173.24 173.63 1ub5 s ALA 19 N -1.64 2.36 -0.07 1.44 0.00 -0.00 -4.93 121.76 118.91 1ub5 s ALA 19 Ca 0.44 -1.35 0.02 0.00 0.00 0.00 0.00 51.96 51.07 1ub5 s ALA 19 Cb -0.14 -0.47 0.01 0.00 0.00 0.00 0.00 23.12 22.53 1ub5 s ALA 19 CO 0.20 0.54 -0.12 -1.12 0.00 0.00 0.00 175.76 175.26 1ub5 s SER 20 N -1.63 1.81 -0.16 0.00 0.01 -1.26 -1.08 113.70 111.38 1ub5 s SER 20 Ca 0.13 -0.30 0.01 0.00 1.31 0.00 0.00 55.95 57.11 1ub5 s SER 20 Cb -0.10 -0.83 0.02 0.00 0.21 0.00 0.00 66.02 65.32 1ub5 s SER 20 CO 0.04 0.02 -0.19 -0.63 0.41 0.00 0.00 173.24 172.89 1ub5 s ILE 21 N 0.76 1.94 0.37 1.44 1.01 0.53 -4.96 121.20 122.29 1ub5 s ILE 21 Ca -0.13 -0.88 0.01 0.00 0.00 0.00 0.00 60.65 59.65 1ub5 s ILE 21 Cb -0.16 -1.75 -0.03 0.00 0.01 0.00 0.00 42.46 40.54 1ub5 s ILE 21 CO 0.03 0.52 0.57 -0.94 0.00 0.00 0.00 174.94 175.12 1ub5 s SER 22 N 1.15 6.19 -0.13 3.58 1.04 -1.26 0.21 113.70 124.47 1ub5 s SER 22 Ca 0.00 0.38 -0.29 0.00 0.48 0.00 0.00 55.95 56.52 1ub5 s SER 22 Cb -0.14 -1.89 0.08 0.00 0.10 0.00 0.00 66.02 64.17 1ub5 s SER 22 CO -0.08 -0.38 0.77 0.00 0.98 0.00 0.00 173.24 174.53 1ub5 s ARG 24 N -0.77 0.41 0.17 0.00 1.70 -0.40 -0.41 118.95 119.65 1ub5 s ARG 24 Ca -0.06 -0.80 0.11 0.00 -0.47 0.00 0.00 55.73 54.51 1ub5 s ARG 24 Cb -0.01 0.14 -0.04 0.00 -0.57 0.00 0.00 34.95 34.47 1ub5 s ARG 24 CO 0.06 -0.07 -0.22 0.45 -1.08 0.00 0.00 175.30 174.43 1ub5 s SER 25 N -1.92 3.55 0.00 -2.89 0.15 -0.22 -0.57 113.70 111.79 1ub5 s SER 25 Ca -0.09 -0.79 0.29 0.00 0.70 0.00 0.00 55.95 56.06 1ub5 s SER 25 Cb -0.04 -0.33 1.17 0.00 -1.71 0.00 0.00 66.02 65.11 1ub5 s SER 25 CO -0.04 0.13 1.88 0.35 1.20 0.00 0.00 173.24 176.76 1ub5 n THR 26 N 0.39 0.00 -3.88 6.45 -2.24 -0.95 -4.80 114.28 109.25 1ub5 n THR 26 Ca -0.14 -0.00 -0.11 0.00 -2.27 0.00 0.00 64.05 61.53 1ub5 n THR 26 Cb 0.55 -0.41 -0.12 0.00 -2.10 0.00 0.00 70.33 68.24 1ub5 n THR 26 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 1ub5 s LYS 27 N -2.98 0.20 0.35 -0.78 2.20 -1.26 -4.99 119.74 112.48 1ub5 s LYS 27 Ca 0.14 -0.12 -0.29 0.00 -0.36 0.00 0.00 55.97 55.35 1ub5 s LYS 27 Cb 0.19 0.08 -0.11 0.00 -1.51 0.00 0.00 37.83 36.48 1ub5 s LYS 27 CO 0.55 -0.04 1.49 0.45 -0.36 0.00 0.00 175.35 177.44 1ub5 n SER 28 N 2.49 3.65 -0.93 1.43 2.88 -1.26 -4.72 113.62 117.17 1ub5 n SER 28 Ca -0.16 1.20 0.12 0.00 -1.33 0.00 0.00 58.87 58.70 1ub5 n SER 28 Cb 0.58 -1.59 0.23 0.00 -0.75 0.00 0.00 64.21 62.68 1ub5 n SER 28 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1ub5 n LEU 29 N 0.94 2.83 -4.64 2.46 4.32 0.69 -4.88 117.00 118.71 1ub5 n LEU 29 Ca 0.04 -1.09 -0.43 0.00 -0.02 0.00 0.00 56.01 54.50 1ub5 n LEU 29 Cb 0.38 -0.11 -0.02 0.00 -1.62 0.00 0.00 43.42 42.04 1ub5 n LEU 29 CO 0.64 0.55 1.11 -0.22 -1.22 0.00 0.00 177.39 178.24 1ub5 s LEU 30 N -1.74 3.96 0.54 2.23 2.96 -1.26 -1.00 118.68 124.37 1ub5 s LEU 30 Ca 0.34 1.33 -0.05 0.00 -0.22 0.00 0.00 54.13 55.53 1ub5 s LEU 30 Cb 0.21 -3.54 -0.01 0.00 0.50 0.00 0.00 46.19 43.35 1ub5 s LEU 30 CO 0.31 -0.98 0.84 -2.28 -1.32 0.00 0.00 176.35 172.92 1ub5 s HIS 31 N 4.09 3.34 0.55 5.38 5.65 0.84 -4.97 115.29 130.16 1ub5 s HIS 31 Ca 0.55 0.64 0.28 0.00 0.25 0.00 0.00 55.06 56.78 1ub5 s HIS 31 Cb -0.18 -2.56 1.71 0.00 -1.18 0.00 0.00 32.58 30.37 1ub5 s HIS 31 CO 0.20 -0.61 2.21 1.03 -0.65 0.00 0.00 174.74 176.92 1ub5 h SER 32 N 0.01 0.00 -0.00 9.88 0.87 -1.95 -1.27 113.55 121.08 1ub5 h SER 32 Ca -0.46 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.10 1ub5 h SER 32 Cb 1.24 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.20 1ub5 h SER 32 CO 0.60 0.03 0.00 -0.46 -0.53 0.00 0.00 176.83 176.48 1ub5 n ASN 33 N -3.83 0.01 0.00 6.23 0.23 -1.26 -4.87 115.26 111.78 1ub5 n ASN 33 Ca -0.03 -1.40 0.00 0.00 -0.53 0.00 0.00 54.58 52.62 1ub5 n ASN 33 Cb 0.12 -0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.82 1ub5 n ASN 33 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1ub5 n GLY 34 N 0.80 1.07 3.87 4.83 0.00 -0.48 -5.04 105.19 110.24 1ub5 n GLY 34 Ca 0.14 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.80 1ub5 n GLY 34 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ub5 s ILE 35 N -2.96 5.34 -0.33 -0.61 1.01 -1.26 -4.85 121.20 117.55 1ub5 s ILE 35 Ca 0.00 0.32 -0.09 0.00 0.00 0.00 0.00 60.65 60.88 1ub5 s ILE 35 Cb 0.00 -3.52 0.01 0.00 0.01 0.00 0.00 42.46 38.96 1ub5 s ILE 35 CO 0.00 0.53 0.16 -0.89 0.00 0.00 0.00 174.94 174.74 1ub5 s THR 36 N -1.13 4.48 -1.43 2.92 2.01 -1.26 -0.11 115.64 121.12 1ub5 s THR 36 Ca 0.21 -0.60 -0.11 0.00 0.31 0.00 0.00 61.69 61.49 1ub5 s THR 36 Cb -0.13 -3.36 0.06 0.00 0.01 0.00 0.00 72.50 69.08 1ub5 s THR 36 CO 0.10 -0.02 2.28 -1.22 -0.69 0.00 0.00 174.62 175.07 1ub5 n TYR 37 N 4.96 3.11 -5.19 4.92 4.02 -0.17 -2.60 117.16 126.21 1ub5 n TYR 37 Ca -0.13 -2.94 -0.32 0.00 -0.01 0.00 0.00 57.90 54.50 1ub5 n TYR 37 Cb 0.48 -2.33 -0.16 0.00 -0.02 0.00 0.00 39.34 37.31 1ub5 n TYR 37 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 176.86 174.68 1ub5 s LEU 38 N 0.89 2.18 0.09 7.72 2.96 -1.26 -1.88 118.68 129.38 1ub5 s LEU 38 Ca 0.50 -0.48 0.03 0.00 -0.22 0.00 0.00 54.13 53.96 1ub5 s LEU 38 Cb 0.14 -1.41 -0.04 0.00 0.50 0.00 0.00 46.19 45.38 1ub5 s LEU 38 CO -0.06 0.24 -0.08 -0.72 -1.32 0.00 0.00 176.35 174.40 1ub5 s TYR 39 N -0.12 0.95 -0.01 5.38 -0.85 -0.36 -0.08 117.35 122.25 1ub5 s TYR 39 Ca -0.04 -0.74 0.06 0.00 -0.52 0.00 0.00 57.07 55.82 1ub5 s TYR 39 Cb -0.14 -0.53 -0.01 0.00 0.38 0.00 0.00 41.96 41.65 1ub5 s TYR 39 CO 0.04 -0.07 -0.18 -1.58 -1.52 0.00 0.00 175.55 172.25 1ub5 s TRP 40 N -2.82 1.60 0.06 -3.49 0.52 0.21 -1.12 118.94 113.90 1ub5 s TRP 40 Ca 0.07 -0.31 -0.00 0.00 0.02 0.00 0.00 56.10 55.88 1ub5 s TRP 40 Cb -0.00 -1.02 -0.04 0.00 -1.15 0.00 0.00 33.47 31.25 1ub5 s TRP 40 CO -0.02 -0.02 -0.04 1.52 0.02 0.00 0.00 176.95 178.41 1ub5 s TYR 41 N -0.44 0.62 -0.03 -1.98 -0.85 -0.17 -0.58 117.35 113.92 1ub5 s TYR 41 Ca 0.07 -1.00 0.07 0.00 -0.52 0.00 0.00 57.07 55.69 1ub5 s TYR 41 Cb -0.07 -0.42 -0.02 0.00 0.38 0.00 0.00 41.96 41.83 1ub5 s TYR 41 CO -0.01 -0.30 -0.25 -1.17 -1.52 0.00 0.00 175.55 172.31 1ub5 s LEU 42 N -2.88 2.05 -0.20 -3.49 2.96 0.14 -0.68 118.68 116.58 1ub5 s LEU 42 Ca 0.07 -0.47 0.01 0.00 -0.22 0.00 0.00 54.13 53.53 1ub5 s LEU 42 Cb 0.06 -1.30 0.04 0.00 0.50 0.00 0.00 46.19 45.49 1ub5 s LEU 42 CO -0.08 0.29 -0.12 -1.58 -1.32 0.00 0.00 176.35 173.53 1ub5 s GLN 43 N -0.46 2.25 0.07 1.98 2.00 -0.29 -0.20 119.66 125.01 1ub5 s GLN 43 Ca 0.06 -0.88 0.03 0.00 -2.00 0.00 0.00 55.36 52.57 1ub5 s GLN 43 Cb -0.11 -2.47 -0.04 0.00 0.80 0.00 0.00 33.01 31.19 1ub5 s GLN 43 CO 0.00 -0.39 0.08 0.15 -0.50 0.00 0.00 175.29 174.63 1ub5 s LYS 44 N 1.35 2.88 0.08 1.67 1.02 -1.26 -1.14 119.74 124.34 1ub5 s LYS 44 Ca -0.01 -0.68 -0.34 0.00 0.02 0.00 0.00 55.97 54.96 1ub5 s LYS 44 Cb -0.16 -2.73 -0.13 0.00 -0.52 0.00 0.00 37.83 34.29 1ub5 s LYS 44 CO -0.09 0.57 1.65 -0.35 -0.92 0.00 0.00 175.35 176.21 1ub5 n PRO 45 N 0.50 2.09 -1.07 -1.68 -0.04 -1.26 -1.66 135.00 131.89 1ub5 n PRO 45 Ca -0.09 0.76 -0.02 0.00 -0.04 0.00 0.00 63.50 64.11 1ub5 n PRO 45 Cb 0.52 -2.54 -0.01 0.00 -0.04 0.00 0.00 33.50 31.43 1ub5 n PRO 45 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1ub5 n GLY 46 N 3.64 0.58 3.12 0.55 0.00 -1.26 -5.03 105.19 106.79 1ub5 n GLY 46 Ca 0.19 -0.77 -0.12 0.00 0.00 0.00 0.00 46.02 45.32 1ub5 n GLY 46 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1ub5 s GLN 47 N -1.89 0.69 0.60 1.61 -0.21 -0.66 -5.15 119.66 114.65 1ub5 s GLN 47 Ca 0.00 -1.07 -0.13 0.00 0.02 0.00 0.00 55.36 54.18 1ub5 s GLN 47 Cb 0.00 -0.24 -0.04 0.00 1.00 0.00 0.00 33.01 33.73 1ub5 s GLN 47 CO 0.00 0.01 1.03 -1.54 -2.12 0.00 0.00 175.29 172.67 1ub5 s SER 48 N -2.37 6.08 0.37 5.90 1.04 -1.26 -4.46 113.70 118.99 1ub5 s SER 48 Ca 0.02 1.56 -0.27 0.00 0.48 0.00 0.00 55.95 57.74 1ub5 s SER 48 Cb -0.02 -2.50 -0.11 0.00 0.10 0.00 0.00 66.02 63.49 1ub5 s SER 48 CO -0.02 -0.97 1.27 -2.65 0.98 0.00 0.00 173.24 171.85 1ub5 n PRO 49 N -2.41 2.04 -4.50 4.02 -0.02 -1.26 -4.71 135.00 128.16 1ub5 n PRO 49 Ca 0.07 0.72 -0.31 0.00 -2.02 0.00 0.00 63.50 61.96 1ub5 n PRO 49 Cb 0.54 -2.34 -0.17 0.00 -0.02 0.00 0.00 33.50 31.51 1ub5 n PRO 49 CO 0.00 0.00 0.00 -1.14 1.98 0.00 0.00 175.50 176.34 1ub5 s GLN 50 N -1.99 2.69 0.24 -0.52 0.74 0.72 -4.93 119.66 116.62 1ub5 s GLN 50 Ca 0.57 -0.73 -0.30 0.00 0.05 0.00 0.00 55.36 54.96 1ub5 s GLN 50 Cb -0.55 -2.24 -0.09 0.00 1.10 0.00 0.00 33.01 31.23 1ub5 s GLN 50 CO 0.61 -0.07 1.29 -1.17 -0.55 0.00 0.00 175.29 175.41 1ub5 s LEU 51 N 0.97 4.43 -0.11 3.68 2.96 -1.26 0.25 118.68 129.60 1ub5 s LEU 51 Ca -0.05 2.47 -0.07 0.00 -0.22 0.00 0.00 54.13 56.26 1ub5 s LEU 51 Cb -0.15 -3.62 -0.05 0.00 0.50 0.00 0.00 46.19 42.87 1ub5 s LEU 51 CO -0.04 -0.50 -0.16 0.18 -1.32 0.00 0.00 176.35 174.51 1ub5 n LEU 52 N 2.06 0.99 -3.92 -0.68 4.77 0.25 -4.71 117.00 115.76 1ub5 n LEU 52 Ca 0.04 0.17 -0.11 0.00 -0.03 0.00 0.00 56.01 56.08 1ub5 n LEU 52 Cb 0.43 -0.40 -0.12 0.00 -2.33 0.00 0.00 43.42 40.99 1ub5 n LEU 52 CO 0.58 0.14 -0.34 -0.63 -1.33 0.00 0.00 177.39 175.81 1ub5 s ILE 53 N -2.26 0.06 0.10 -0.08 1.01 -1.01 -1.01 121.20 118.01 1ub5 s ILE 53 Ca -0.17 -0.49 0.01 0.00 0.00 0.00 0.00 60.65 60.00 1ub5 s ILE 53 Cb 0.06 -0.17 -0.04 0.00 0.01 0.00 0.00 42.46 42.32 1ub5 s ILE 53 CO 0.22 -0.27 -0.03 -0.72 0.00 0.00 0.00 174.94 174.14 1ub5 s TYR 54 N -0.80 0.84 -1.57 3.97 1.13 0.17 -0.62 117.35 120.48 1ub5 s TYR 54 Ca -0.09 -1.01 -0.12 0.00 -1.41 0.00 0.00 57.07 54.45 1ub5 s TYR 54 Cb -0.05 -0.51 0.09 0.00 -1.10 0.00 0.00 41.96 40.39 1ub5 s TYR 54 CO -0.00 -0.26 0.75 1.04 -2.51 0.00 0.00 175.55 174.56 1ub5 n GLN 55 N -0.04 -3.90 0.00 -3.49 6.02 -0.86 -1.41 117.38 113.70 1ub5 n GLN 55 Ca -0.11 0.45 0.00 0.00 -0.01 0.00 0.00 57.00 57.33 1ub5 n GLN 55 Cb 0.62 -5.07 0.00 0.00 1.02 0.00 0.00 30.24 26.81 1ub5 n GLN 55 CO 0.00 0.00 0.00 -0.12 -1.01 0.00 0.00 177.06 175.93 1ub5 n MET 56 N -4.46 0.00 0.00 -1.09 0.00 0.88 -4.14 117.12 108.30 1ub5 n MET 56 Ca -0.05 0.00 0.00 0.00 -0.00 0.00 0.00 57.70 57.65 1ub5 n MET 56 Cb 0.56 -0.02 0.00 0.00 0.00 0.00 0.00 33.22 33.75 1ub5 n MET 56 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 175.97 174.84 1ub5 n SER 57 N 1.57 0.86 -4.68 6.12 3.41 -1.19 -4.38 113.62 115.33 1ub5 n SER 57 Ca 0.00 -1.28 -0.39 0.00 -0.26 0.00 0.00 58.87 56.95 1ub5 n SER 57 Cb 0.00 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 63.89 1ub5 n SER 57 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 1ub5 s ASN 58 N -0.28 6.61 0.26 4.04 0.01 -0.50 -4.87 114.94 120.22 1ub5 s ASN 58 Ca 0.00 0.74 -0.29 0.00 -0.71 0.00 0.00 52.86 52.59 1ub5 s ASN 58 Cb 0.00 -2.29 -0.09 0.00 0.41 0.00 0.00 41.25 39.27 1ub5 s ASN 58 CO 0.00 -0.12 1.13 -0.76 -1.51 0.00 0.00 177.10 175.84 1ub5 s LEU 59 N 1.26 4.52 0.95 0.60 1.43 -1.26 -0.65 118.68 125.52 1ub5 s LEU 59 Ca 0.25 2.28 -0.15 0.00 -1.03 0.00 0.00 54.13 55.48 1ub5 s LEU 59 Cb -0.15 -3.62 0.19 0.00 0.03 0.00 0.00 46.19 42.63 1ub5 s LEU 59 CO 0.10 -0.21 1.31 0.00 0.23 0.00 0.00 176.35 177.77 1ub5 s ALA 60 N -0.92 2.30 0.24 4.21 0.00 -0.18 -4.87 121.76 122.54 1ub5 s ALA 60 Ca 0.46 -1.18 -0.30 0.00 0.00 0.00 0.00 51.96 50.94 1ub5 s ALA 60 Cb -0.32 -2.77 -0.10 0.00 0.00 0.00 0.00 23.12 19.93 1ub5 s ALA 60 CO 0.41 -2.37 1.45 -1.54 0.00 0.00 0.00 175.76 173.71 1ub5 s SER 61 N -4.87 6.65 0.00 0.00 1.04 -1.26 -2.77 113.70 112.49 1ub5 s SER 61 Ca 0.73 2.66 0.00 0.00 0.48 0.00 0.00 55.95 59.82 1ub5 s SER 61 Cb -0.04 -2.62 0.00 0.00 0.10 0.00 0.00 66.02 63.46 1ub5 s SER 61 CO 0.53 -0.71 0.00 0.61 0.98 0.00 0.00 173.24 174.64 1ub5 n GLY 62 N 2.35 0.62 3.64 7.32 0.00 -1.26 -5.00 105.19 112.86 1ub5 n GLY 62 Ca 0.07 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.69 1ub5 n GLY 62 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ub5 s VAL 63 N -2.71 4.97 0.59 1.61 1.01 -1.12 -5.05 120.40 119.71 1ub5 s VAL 63 Ca 0.00 1.23 -0.19 0.00 0.00 0.00 0.00 61.98 63.02 1ub5 s VAL 63 Cb 0.00 -3.97 -0.04 0.00 0.00 0.00 0.00 36.38 32.37 1ub5 s VAL 63 CO 0.00 0.04 1.23 -2.16 0.00 0.00 0.00 175.10 174.20 1ub5 s PRO 64 N 2.36 2.98 0.00 2.72 0.04 -1.26 -4.86 135.00 136.98 1ub5 s PRO 64 Ca 0.29 1.88 0.00 0.00 0.04 0.00 0.00 61.00 63.20 1ub5 s PRO 64 Cb -0.16 -1.97 0.00 0.00 0.04 0.00 0.00 34.50 32.42 1ub5 s PRO 64 CO 0.09 -1.21 0.44 0.27 0.04 0.00 0.00 177.00 176.63 1ub5 n ASN 65 N -1.53 0.07 0.26 6.66 2.04 -1.26 -2.07 115.26 119.43 1ub5 n ASN 65 Ca 0.13 -0.96 0.16 0.00 -0.44 0.00 0.00 54.58 53.48 1ub5 n ASN 65 Cb 0.49 -0.03 0.58 0.00 -2.53 0.00 0.00 39.78 38.28 1ub5 n ASN 65 CO 0.00 0.00 0.00 0.03 -0.44 0.00 0.00 177.26 176.85 1ub5 h ARG 66 N 0.08 0.00 -5.75 -3.83 3.08 -1.89 -3.43 114.38 102.64 1ub5 h ARG 66 Ca 0.00 0.00 -0.61 0.00 0.07 0.00 0.00 59.98 59.44 1ub5 h ARG 66 Cb 0.03 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 30.01 1ub5 h ARG 66 CO 0.00 0.00 -0.30 -0.06 -1.07 0.00 0.00 179.97 178.54 1ub5 s PHE 67 N -3.57 3.60 0.08 3.04 0.08 -0.88 -0.89 117.98 119.44 1ub5 s PHE 67 Ca 0.02 0.76 -0.20 0.00 0.12 0.00 0.00 56.93 57.64 1ub5 s PHE 67 Cb 0.08 -2.25 0.05 0.00 -0.57 0.00 0.00 43.02 40.33 1ub5 s PHE 67 CO 0.57 0.50 0.47 -1.54 -0.10 0.00 0.00 175.22 175.12 1ub5 s SER 68 N -0.45 -0.36 0.01 1.36 1.04 -0.60 -5.00 113.70 109.69 1ub5 s SER 68 Ca 0.20 -0.02 0.02 0.00 0.48 0.00 0.00 55.95 56.63 1ub5 s SER 68 Cb -0.14 0.48 -0.01 0.00 0.10 0.00 0.00 66.02 66.45 1ub5 s SER 68 CO 0.08 -0.77 -0.08 -0.55 0.98 0.00 0.00 173.24 172.90 1ub5 s SER 69 N -2.28 0.94 0.16 7.02 0.15 -1.26 -0.08 113.70 118.36 1ub5 s SER 69 Ca -0.02 -0.22 -0.04 0.00 0.70 0.00 0.00 55.95 56.36 1ub5 s SER 69 Cb -0.00 -0.08 -0.03 0.00 -1.71 0.00 0.00 66.02 64.20 1ub5 s SER 69 CO -0.06 0.04 0.16 -0.94 1.20 0.00 0.00 173.24 173.65 1ub5 s SER 70 N -0.47 0.17 0.00 5.45 1.04 -0.75 -4.67 113.70 114.47 1ub5 s SER 70 Ca 0.01 -1.15 0.00 0.00 0.48 0.00 0.00 55.95 55.29 1ub5 s SER 70 Cb -0.04 0.37 0.00 0.00 0.10 0.00 0.00 66.02 66.45 1ub5 s SER 70 CO -0.00 -0.83 0.00 0.61 0.98 0.00 0.00 173.24 174.00 1ub5 n GLY 71 N -0.19 0.52 0.00 7.32 0.00 -1.26 -0.92 105.19 110.65 1ub5 n GLY 71 Ca -0.04 -1.85 0.00 0.00 0.00 0.00 0.00 46.02 44.13 1ub5 n GLY 71 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1ub5 n SER 72 N 3.00 0.00 0.11 1.61 3.41 -0.48 -4.99 113.62 116.29 1ub5 n SER 72 Ca 0.00 0.00 0.12 0.00 -0.26 0.00 0.00 58.87 58.73 1ub5 n SER 72 Cb 0.00 0.00 0.11 0.00 -0.26 0.00 0.00 64.21 64.06 1ub5 n SER 72 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 1ub5 h GLY 73 N 0.00 0.00 0.00 5.00 0.00 -1.97 -3.39 103.07 102.70 1ub5 h GLY 73 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1ub5 h GLY 73 CO 0.00 0.00 -0.07 -1.30 0.00 0.00 0.00 176.54 175.17 1ub5 n THR 74 N -2.55 0.00 -3.98 4.70 -2.24 -1.26 -0.22 114.28 108.73 1ub5 n THR 74 Ca 0.02 -0.31 -0.26 0.00 -2.27 0.00 0.00 64.05 61.23 1ub5 n THR 74 Cb 0.50 0.93 -0.17 0.00 -2.10 0.00 0.00 70.33 69.50 1ub5 n THR 74 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1ub5 s ASP 75 N -0.77 2.07 0.16 3.42 1.01 -1.26 -1.06 116.67 120.24 1ub5 s ASP 75 Ca 0.00 -0.28 0.05 0.00 0.71 0.00 0.00 52.55 53.03 1ub5 s ASP 75 Cb 0.00 -0.81 -0.04 0.00 1.01 0.00 0.00 42.92 43.08 1ub5 s ASP 75 CO 0.00 -0.10 -0.12 -0.36 0.21 0.00 0.00 175.17 174.80 1ub5 s PHE 76 N 1.59 1.40 -0.05 4.23 0.40 0.45 -1.38 117.98 124.62 1ub5 s PHE 76 Ca 0.02 -0.70 -0.02 0.00 -0.60 0.00 0.00 56.93 55.64 1ub5 s PHE 76 Cb -0.13 -0.69 0.03 0.00 0.51 0.00 0.00 43.02 42.74 1ub5 s PHE 76 CO -0.07 0.17 0.08 0.99 0.70 0.00 0.00 175.22 177.09 1ub5 s THR 77 N -3.18 -0.13 -0.11 0.64 2.01 -0.10 -1.37 115.64 113.39 1ub5 s THR 77 Ca 0.18 0.37 -0.19 0.00 0.31 0.00 0.00 61.69 62.36 1ub5 s THR 77 Cb 0.01 -0.17 -0.04 0.00 0.01 0.00 0.00 72.50 72.31 1ub5 s THR 77 CO 0.02 0.15 0.49 -0.22 -0.69 0.00 0.00 174.62 174.38 1ub5 s LEU 78 N 1.95 4.28 -0.10 4.42 2.96 0.13 -1.82 118.68 130.50 1ub5 s LEU 78 Ca 0.01 0.84 0.03 0.00 -0.22 0.00 0.00 54.13 54.80 1ub5 s LEU 78 Cb -0.12 -2.72 -0.01 0.00 0.50 0.00 0.00 46.19 43.84 1ub5 s LEU 78 CO -0.04 -0.01 -0.19 -0.13 -1.32 0.00 0.00 176.35 174.66 1ub5 s ARG 79 N 0.63 3.04 -0.26 1.98 1.81 0.89 -0.34 118.95 126.70 1ub5 s ARG 79 Ca 0.27 -0.80 0.03 0.00 -1.72 0.00 0.00 55.73 53.51 1ub5 s ARG 79 Cb -0.15 -2.40 0.06 0.00 -0.45 0.00 0.00 34.95 32.00 1ub5 s ARG 79 CO 0.11 0.26 -0.11 0.42 -0.68 0.00 0.00 175.30 175.31 1ub5 s ILE 80 N 0.17 2.22 0.35 1.52 1.01 -0.24 -1.56 121.20 124.67 1ub5 s ILE 80 Ca -0.11 -1.59 -0.11 0.00 0.00 0.00 0.00 60.65 58.85 1ub5 s ILE 80 Cb -0.16 -2.29 -0.07 0.00 0.01 0.00 0.00 42.46 39.95 1ub5 s ILE 80 CO 0.06 -0.01 0.71 -0.94 0.00 0.00 0.00 174.94 174.76 1ub5 s SER 81 N 1.12 6.58 -1.23 3.58 1.04 -0.07 -0.82 113.70 123.90 1ub5 s SER 81 Ca -0.08 1.09 -0.24 0.00 0.48 0.00 0.00 55.95 57.20 1ub5 s SER 81 Cb -0.20 -2.30 0.02 0.00 0.10 0.00 0.00 66.02 63.64 1ub5 s SER 81 CO -0.05 -0.29 0.65 0.54 0.98 0.00 0.00 173.24 175.06 1ub5 n ARG 82 N -0.92 -0.96 -1.56 4.02 1.74 -1.20 -4.80 116.66 112.98 1ub5 n ARG 82 Ca 0.02 0.25 -0.50 0.00 -0.77 0.00 0.00 57.85 56.85 1ub5 n ARG 82 Cb 0.54 -3.40 -0.05 0.00 -1.02 0.00 0.00 32.46 28.53 1ub5 n ARG 82 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 1ub5 n VAL 83 N -4.64 0.77 -4.26 1.55 0.31 -0.30 -4.52 118.33 107.25 1ub5 n VAL 83 Ca -0.14 -0.19 -0.24 0.00 -0.01 0.00 0.00 64.34 63.76 1ub5 n VAL 83 Cb 0.60 -0.69 -0.07 0.00 -0.91 0.00 0.00 33.84 32.77 1ub5 n VAL 83 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 1ub5 s GLU 84 N -0.29 2.33 0.30 5.55 2.02 -1.26 -1.17 118.70 126.19 1ub5 s GLU 84 Ca 0.76 -1.32 0.02 0.00 0.02 0.00 0.00 54.97 54.45 1ub5 s GLU 84 Cb -0.92 -2.23 0.58 0.00 0.10 0.00 0.00 34.13 31.67 1ub5 s GLU 84 CO 0.52 0.39 1.87 0.00 0.02 0.00 0.00 175.26 178.07 1ub5 h ALA 85 N 2.13 1.56 0.00 5.21 0.00 -1.88 -0.56 119.26 125.72 1ub5 h ALA 85 Ca -0.45 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1ub5 h ALA 85 Cb 1.23 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.80 1ub5 h ALA 85 CO 0.59 0.24 0.00 -0.85 0.00 0.00 0.00 179.25 179.24 1ub5 n GLU 86 N -4.55 0.32 0.00 0.00 0.28 -0.51 -2.90 120.64 113.28 1ub5 n GLU 86 Ca 0.16 0.09 0.14 0.00 -0.16 0.00 0.00 57.16 57.40 1ub5 n GLU 86 Cb 0.30 -1.50 0.63 0.00 1.43 0.00 0.00 31.44 32.30 1ub5 n GLU 86 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 1ub5 n ASP 87 N -1.19 0.00 -4.75 -1.84 8.00 -0.22 -4.89 116.55 111.67 1ub5 n ASP 87 Ca 0.09 0.43 -0.39 0.00 0.71 0.00 0.00 54.79 55.63 1ub5 n ASP 87 Cb 0.10 -0.48 0.03 0.00 -0.02 0.00 0.00 41.12 40.76 1ub5 n ASP 87 CO 0.00 0.00 0.00 1.33 -0.39 0.00 0.00 177.20 178.14 1ub5 n VAL 88 N -1.48 3.35 -2.58 2.53 0.24 -1.14 -4.88 118.33 114.36 1ub5 n VAL 88 Ca 0.08 -0.50 0.00 0.00 -2.04 0.00 0.00 64.34 61.88 1ub5 n VAL 88 Cb 0.33 -1.72 0.00 0.00 -1.47 0.00 0.00 33.84 30.98 1ub5 n VAL 88 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1ub5 n GLY 89 N 0.70 -0.37 3.32 7.63 0.00 -1.26 -4.82 105.19 110.39 1ub5 n GLY 89 Ca 0.08 -1.45 -0.34 0.00 0.00 0.00 0.00 46.02 44.31 1ub5 n GLY 89 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ub5 s VAL 90 N -2.75 3.17 -0.23 1.61 1.01 -0.29 -0.67 120.40 122.24 1ub5 s VAL 90 Ca 0.00 -0.58 -0.13 0.00 0.00 0.00 0.00 61.98 61.27 1ub5 s VAL 90 Cb 0.00 -2.40 -0.05 0.00 0.00 0.00 0.00 36.38 33.94 1ub5 s VAL 90 CO 0.00 0.47 0.26 -0.31 0.00 0.00 0.00 175.10 175.52 1ub5 s TYR 91 N 1.08 3.33 -0.07 5.22 1.51 0.03 -1.14 117.35 127.31 1ub5 s TYR 91 Ca 0.00 0.37 0.02 0.00 -1.01 0.00 0.00 57.07 56.45 1ub5 s TYR 91 Cb -0.15 -2.38 -0.03 0.00 -0.11 0.00 0.00 41.96 39.30 1ub5 s TYR 91 CO -0.02 0.01 -0.10 0.71 -1.11 0.00 0.00 175.55 175.04 1ub5 s TYR 92 N 1.24 2.83 0.18 2.71 2.02 0.14 -0.43 117.35 126.05 1ub5 s TYR 92 Ca 0.12 -0.12 0.05 0.00 -0.37 0.00 0.00 57.07 56.76 1ub5 s TYR 92 Cb -0.14 -1.70 -0.04 0.00 -0.40 0.00 0.00 41.96 39.68 1ub5 s TYR 92 CO 0.06 0.22 0.15 0.00 -1.57 0.00 0.00 175.55 174.41 1ub5 s ALA 94 N -1.81 -1.54 0.01 0.00 0.00 -0.27 -0.74 121.76 117.40 1ub5 s ALA 94 Ca 0.31 0.25 0.07 0.00 0.00 0.00 0.00 51.96 52.60 1ub5 s ALA 94 Cb -0.10 0.73 -0.02 0.00 0.00 0.00 0.00 23.12 23.73 1ub5 s ALA 94 CO 0.24 -0.91 -0.23 1.14 0.00 0.00 0.00 175.76 176.00 1ub5 s GLN 95 N -3.57 1.75 -0.30 0.00 1.03 -1.11 -1.23 119.66 116.23 1ub5 s GLN 95 Ca 0.08 -0.89 0.13 0.00 0.04 0.00 0.00 55.36 54.71 1ub5 s GLN 95 Cb -0.03 -1.76 0.47 0.00 0.03 0.00 0.00 33.01 31.72 1ub5 s GLN 95 CO -0.02 0.47 1.14 0.27 -2.54 0.00 0.00 175.29 174.61 1ub5 n ASN 96 N 2.25 3.60 0.05 12.60 6.94 -0.79 -4.19 115.26 135.71 1ub5 n ASN 96 Ca -0.16 -3.13 -0.22 0.00 -0.02 0.00 0.00 54.58 51.04 1ub5 n ASN 96 Cb 0.52 -0.41 -0.14 0.00 -2.36 0.00 0.00 39.78 37.39 1ub5 n ASN 96 CO 0.00 0.00 0.00 0.25 -1.03 0.00 0.00 177.26 176.48 1ub5 h LEU 97 N 2.42 0.52 -7.67 -4.53 5.85 -1.93 -3.47 115.31 106.49 1ub5 h LEU 97 Ca 0.17 -0.91 0.01 0.00 0.84 0.00 0.00 57.88 57.99 1ub5 h LEU 97 Cb 1.36 -0.17 -0.08 0.00 0.37 0.00 0.00 40.66 42.13 1ub5 h LEU 97 CO 0.57 1.74 0.14 -1.83 -0.34 0.00 0.00 178.44 178.73 1ub5 s GLU 98 N -2.54 1.53 0.32 1.25 -1.05 -1.26 -5.11 118.70 111.84 1ub5 s GLU 98 Ca -0.18 -0.84 -0.15 0.00 -0.15 0.00 0.00 54.97 53.65 1ub5 s GLU 98 Cb 0.05 0.57 -0.09 0.00 -0.44 0.00 0.00 34.13 34.22 1ub5 s GLU 98 CO 0.82 -0.67 0.74 -0.51 0.95 0.00 0.00 175.26 176.58 1ub5 s LEU 99 N -2.87 4.07 0.48 1.83 1.43 -1.26 -4.03 118.68 118.33 1ub5 s LEU 99 Ca 0.09 1.29 -0.17 0.00 -1.03 0.00 0.00 54.13 54.31 1ub5 s LEU 99 Cb -0.03 -4.07 -0.08 0.00 0.03 0.00 0.00 46.19 42.04 1ub5 s LEU 99 CO -0.01 -0.20 0.95 -2.16 0.23 0.00 0.00 176.35 175.16 1ub5 s PRO 100 N -2.95 3.98 0.32 1.29 0.04 -1.26 -4.99 135.00 131.43 1ub5 s PRO 100 Ca 0.54 0.92 -0.29 0.00 0.04 0.00 0.00 61.00 62.21 1ub5 s PRO 100 Cb -0.10 -2.18 -0.10 0.00 0.04 0.00 0.00 34.50 32.15 1ub5 s PRO 100 CO 0.17 -0.19 1.42 -2.14 0.04 0.00 0.00 177.00 176.30 1ub5 s PRO 101 N -3.86 4.24 0.07 0.56 0.02 -1.26 -4.78 135.00 129.99 1ub5 s PRO 101 Ca 0.58 2.37 0.04 0.00 0.02 0.00 0.00 61.00 64.02 1ub5 s PRO 101 Cb -0.10 -3.05 -0.03 0.00 0.02 0.00 0.00 34.50 31.34 1ub5 s PRO 101 CO 0.28 -0.39 -0.12 0.95 -0.33 0.00 0.00 177.00 177.39 1ub5 s THR 102 N -0.70 0.97 0.09 0.99 -4.23 -1.26 -5.08 115.64 106.42 1ub5 s THR 102 Ca 0.54 -1.28 0.04 0.00 -1.18 0.00 0.00 61.69 59.82 1ub5 s THR 102 Cb -0.43 -0.98 -0.03 0.00 1.34 0.00 0.00 72.50 72.40 1ub5 s THR 102 CO 0.52 -0.29 -0.11 -0.36 -0.54 0.00 0.00 174.62 173.85 1ub5 s PHE 103 N -1.38 1.10 0.85 3.99 0.40 -1.26 -2.74 117.98 118.94 1ub5 s PHE 103 Ca -0.03 -0.58 -0.12 0.00 -0.60 0.00 0.00 56.93 55.59 1ub5 s PHE 103 Cb -0.10 -0.60 0.10 0.00 0.51 0.00 0.00 43.02 42.93 1ub5 s PHE 103 CO 0.02 0.02 1.15 0.20 0.70 0.00 0.00 175.22 177.31 1ub5 s GLY 104 N -2.21 1.59 0.00 4.36 0.00 0.08 -4.56 107.32 106.58 1ub5 s GLY 104 Ca 0.03 -0.53 0.28 0.00 0.00 0.00 0.00 44.72 44.50 1ub5 s GLY 104 CO 0.01 -0.03 1.98 0.61 0.00 0.00 0.00 173.10 175.67 1ub5 n GLY 105 N -2.69 -1.22 0.00 0.20 0.00 -1.26 -4.80 105.19 95.42 1ub5 n GLY 105 Ca 0.07 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.96 1ub5 n GLY 105 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ub5 n GLY 106 N 1.12 -1.86 3.10 -0.02 0.00 -1.26 -4.99 105.19 101.28 1ub5 n GLY 106 Ca 0.13 -1.28 -0.32 0.00 0.00 0.00 0.00 46.02 44.55 1ub5 n GLY 106 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ub5 s THR 107 N -2.04 1.96 0.01 2.61 2.01 0.43 -4.27 115.64 116.36 1ub5 s THR 107 Ca 0.00 -0.88 -0.30 0.00 0.31 0.00 0.00 61.69 60.82 1ub5 s THR 107 Cb 0.00 -1.78 -0.04 0.00 0.01 0.00 0.00 72.50 70.69 1ub5 s THR 107 CO 0.00 0.52 1.03 -0.75 -0.69 0.00 0.00 174.62 174.73 1ub5 s LYS 108 N 1.33 4.53 -0.22 4.92 2.20 -0.43 -0.79 119.74 131.29 1ub5 s LYS 108 Ca 0.05 1.50 -0.21 0.00 -0.36 0.00 0.00 55.97 56.95 1ub5 s LYS 108 Cb -0.13 -3.43 -0.02 0.00 -1.51 0.00 0.00 37.83 32.73 1ub5 s LYS 108 CO -0.13 -0.09 0.63 -1.17 -0.36 0.00 0.00 175.35 174.24 1ub5 s LEU 109 N 1.01 4.11 -0.16 5.43 2.96 0.16 -3.49 118.68 128.70 1ub5 s LEU 109 Ca 0.53 0.79 -0.04 0.00 -0.22 0.00 0.00 54.13 55.19 1ub5 s LEU 109 Cb -0.23 -2.88 -0.03 0.00 0.50 0.00 0.00 46.19 43.55 1ub5 s LEU 109 CO 0.28 -0.31 -0.02 -1.61 -1.32 0.00 0.00 176.35 173.37 1ub5 s GLU 110 N 2.14 3.72 -0.21 1.98 2.02 -1.26 -4.01 118.70 123.08 1ub5 s GLU 110 Ca 0.28 -0.49 -0.10 0.00 0.02 0.00 0.00 54.97 54.68 1ub5 s GLU 110 Cb -0.16 -2.97 -0.05 0.00 0.10 0.00 0.00 34.13 31.06 1ub5 s GLU 110 CO 0.10 0.25 0.13 0.42 0.02 0.00 0.00 175.26 176.18 1ub5 s ILE 111 N 0.34 5.39 -0.08 -1.63 1.01 -1.26 -0.32 121.20 124.65 1ub5 s ILE 111 Ca -0.03 0.18 -0.15 0.00 0.00 0.00 0.00 60.65 60.66 1ub5 s ILE 111 Cb -0.14 -3.47 -0.05 0.00 0.01 0.00 0.00 42.46 38.81 1ub5 s ILE 111 CO 0.02 0.42 0.38 -0.75 0.00 0.00 0.00 174.94 175.02 1ub5 s LYS 112 N 0.47 4.09 0.16 2.79 2.20 -0.49 -4.80 119.74 124.17 1ub5 s LYS 112 Ca 0.08 0.31 0.01 0.00 -0.36 0.00 0.00 55.97 56.00 1ub5 s LYS 112 Cb -0.11 -3.33 -0.00 0.00 -1.51 0.00 0.00 37.83 32.87 1ub5 s LYS 112 CO -0.01 0.43 0.20 2.89 -0.36 0.00 0.00 175.35 178.51 1ub5 n ARG 113 N 2.79 0.29 -2.72 4.03 1.85 -1.26 -4.27 116.66 117.37 1ub5 n ARG 113 Ca -0.12 -1.41 -0.38 0.00 -1.00 0.00 0.00 57.85 54.94 1ub5 n ARG 113 Cb 0.52 1.29 -0.06 0.00 -1.05 0.00 0.00 32.46 33.16 1ub5 n ARG 113 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1ub5 s ALA 114 N -2.30 3.26 0.97 2.89 0.00 -1.26 -5.01 121.76 120.32 1ub5 s ALA 114 Ca 0.15 0.61 -0.13 0.00 0.00 0.00 0.00 51.96 52.59 1ub5 s ALA 114 Cb -0.00 -3.21 0.06 0.00 0.00 0.00 0.00 23.12 19.97 1ub5 s ALA 114 CO 0.11 0.13 0.45 -0.25 0.00 0.00 0.00 175.76 176.20 1ub5 n ASP 115 N 0.91 -1.87 -3.63 0.00 8.00 -1.26 -4.85 116.55 113.84 1ub5 n ASP 115 Ca 0.00 0.27 -0.10 0.00 0.71 0.00 0.00 54.79 55.67 1ub5 n ASP 115 Cb 0.48 -1.21 -0.07 0.00 -0.02 0.00 0.00 41.12 40.31 1ub5 n ASP 115 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1ub5 s ALA 116 N -2.40 -1.84 0.45 2.24 0.00 -0.73 -4.89 121.76 114.59 1ub5 s ALA 116 Ca 0.58 2.21 -0.21 0.00 0.00 0.00 0.00 51.96 54.54 1ub5 s ALA 116 Cb -0.20 -1.31 -0.10 0.00 0.00 0.00 0.00 23.12 21.51 1ub5 s ALA 116 CO 0.66 -0.36 0.98 0.00 0.00 0.00 0.00 175.76 177.05 1ub5 s ALA 117 N 0.96 2.98 0.08 0.00 0.00 -1.26 -1.92 121.76 122.60 1ub5 s ALA 117 Ca -0.05 0.47 -0.30 0.00 0.00 0.00 0.00 51.96 52.08 1ub5 s ALA 117 Cb -0.05 -3.19 -0.05 0.00 0.00 0.00 0.00 23.12 19.83 1ub5 s ALA 117 CO -0.09 -0.05 0.99 -1.25 0.00 0.00 0.00 175.76 175.36 1ub5 s PRO 118 N -3.24 4.64 -0.42 0.00 0.04 -1.26 -4.47 135.00 130.29 1ub5 s PRO 118 Ca 0.64 1.47 -0.28 0.00 0.04 0.00 0.00 61.00 62.87 1ub5 s PRO 118 Cb -0.12 -3.39 0.02 0.00 0.04 0.00 0.00 34.50 31.05 1ub5 s PRO 118 CO 0.16 0.11 1.06 0.99 0.04 0.00 0.00 177.00 179.36 1ub5 s THR 119 N 0.32 4.38 -0.17 1.26 2.01 -0.23 -4.78 115.64 118.43 1ub5 s THR 119 Ca 0.49 1.28 -0.12 0.00 0.31 0.00 0.00 61.69 63.66 1ub5 s THR 119 Cb -0.23 -4.49 -0.05 0.00 0.01 0.00 0.00 72.50 67.74 1ub5 s THR 119 CO 0.30 -0.78 0.21 -0.69 -0.69 0.00 0.00 174.62 172.96 1ub5 s VAL 120 N 4.01 5.36 -0.05 3.82 1.01 -1.25 -1.57 120.40 131.73 1ub5 s VAL 120 Ca 0.44 0.37 -0.01 0.00 0.00 0.00 0.00 61.98 62.77 1ub5 s VAL 120 Cb -0.09 -3.54 0.03 0.00 0.00 0.00 0.00 36.38 32.77 1ub5 s VAL 120 CO 0.25 0.43 0.03 -0.44 0.00 0.00 0.00 175.10 175.36 1ub5 s SER 121 N 0.32 1.26 0.10 3.32 0.01 -0.67 -4.97 113.70 113.07 1ub5 s SER 121 Ca 0.12 -0.01 0.05 0.00 1.31 0.00 0.00 55.95 57.43 1ub5 s SER 121 Cb -0.12 -0.29 -0.04 0.00 0.21 0.00 0.00 66.02 65.78 1ub5 s SER 121 CO 0.01 -0.21 -0.01 -0.51 0.41 0.00 0.00 173.24 172.93 1ub5 s ILE 122 N 1.94 3.90 -0.02 1.44 2.07 -1.26 -0.33 121.20 128.95 1ub5 s ILE 122 Ca 0.03 -1.06 0.00 0.00 -1.41 0.00 0.00 60.65 58.21 1ub5 s ILE 122 Cb -0.12 -2.87 0.02 0.00 0.13 0.00 0.00 42.46 39.62 1ub5 s ILE 122 CO -0.04 0.10 0.00 -0.36 -1.91 0.00 0.00 174.94 172.73 1ub5 s PHE 123 N -1.33 0.18 0.61 3.50 0.40 0.46 -4.95 117.98 116.86 1ub5 s PHE 123 Ca 0.25 0.02 -0.09 0.00 -0.60 0.00 0.00 56.93 56.51 1ub5 s PHE 123 Cb -0.11 -0.25 -0.01 0.00 0.51 0.00 0.00 43.02 43.16 1ub5 s PHE 123 CO 0.18 -0.07 0.98 -1.25 0.70 0.00 0.00 175.22 175.75 1ub5 s PRO 124 N 0.62 3.21 0.30 0.24 0.04 -1.26 -1.49 135.00 136.65 1ub5 s PRO 124 Ca -0.06 0.39 -0.27 0.00 0.04 0.00 0.00 61.00 61.11 1ub5 s PRO 124 Cb -0.08 -2.16 -0.14 0.00 0.04 0.00 0.00 34.50 32.15 1ub5 s PRO 124 CO -0.01 -0.67 0.83 -2.30 0.04 0.00 0.00 177.00 174.88 1ub5 n PRO 125 N -2.70 0.93 -2.73 0.56 -0.02 -1.23 -4.86 135.00 124.96 1ub5 n PRO 125 Ca 0.05 0.33 -0.34 0.00 -2.02 0.00 0.00 63.50 61.52 1ub5 n PRO 125 Cb 0.56 -1.62 -0.06 0.00 -0.02 0.00 0.00 33.50 32.37 1ub5 n PRO 125 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1ub5 s SER 126 N -0.73 6.78 0.25 2.55 0.15 -1.26 -4.91 113.70 116.53 1ub5 s SER 126 Ca 0.61 1.78 -0.05 0.00 0.70 0.00 0.00 55.95 58.98 1ub5 s SER 126 Cb -0.73 -2.55 0.33 0.00 -1.71 0.00 0.00 66.02 61.36 1ub5 s SER 126 CO 0.59 -0.47 1.87 0.77 1.20 0.00 0.00 173.24 177.20 1ub5 h SER 127 N 1.90 0.95 -0.09 5.45 4.64 -1.99 -0.64 113.55 123.76 1ub5 h SER 127 Ca -0.49 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 60.80 1ub5 h SER 127 Cb 1.19 -0.20 -0.01 0.00 -0.31 0.00 0.00 62.40 63.07 1ub5 h SER 127 CO 0.61 0.63 -0.02 -0.33 -0.87 0.00 0.00 176.83 176.85 1ub5 h GLU 128 N 1.09 0.28 0.08 4.77 5.08 -2.00 -1.51 114.58 122.38 1ub5 h GLU 128 Ca 0.38 -0.04 -0.28 0.00 -1.00 0.00 0.00 59.36 58.42 1ub5 h GLU 128 Cb 0.09 -0.05 0.02 0.00 0.50 0.00 0.00 28.75 29.32 1ub5 h GLU 128 CO -0.15 0.32 -1.16 0.37 -1.00 0.00 0.00 179.01 177.39 1ub5 h GLN 129 N 0.27 0.60 -0.36 2.33 4.15 -1.53 -3.27 115.11 117.30 1ub5 h GLN 129 Ca 0.06 -0.74 -0.09 0.00 0.77 0.00 0.00 58.65 58.65 1ub5 h GLN 129 Cb 0.22 0.24 -0.02 0.00 0.21 0.00 0.00 27.48 28.13 1ub5 h GLN 129 CO 0.01 1.32 -0.15 -0.07 -1.93 0.00 0.00 178.83 178.01 1ub5 h LEU 130 N 0.29 0.63 -1.16 -2.39 3.38 -0.83 -2.12 115.31 113.10 1ub5 h LEU 130 Ca -0.16 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 57.63 1ub5 h LEU 130 Cb 1.83 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 42.41 1ub5 h LEU 130 CO 0.22 0.79 0.00 0.35 0.09 0.00 0.00 178.44 179.89 1ub5 n THR 131 N -4.16 1.10 0.71 0.22 -2.24 -0.60 -0.11 114.28 109.20 1ub5 n THR 131 Ca 0.01 0.63 0.10 0.00 -2.27 0.00 0.00 64.05 62.51 1ub5 n THR 131 Cb 0.36 -1.61 0.09 0.00 -2.10 0.00 0.00 70.33 67.07 1ub5 n THR 131 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1ub5 n SER 132 N -2.17 2.68 0.00 3.42 3.41 -0.83 -4.97 113.62 115.16 1ub5 n SER 132 Ca -0.01 -1.81 0.00 0.00 -0.26 0.00 0.00 58.87 56.79 1ub5 n SER 132 Cb 0.06 -0.03 0.00 0.00 -0.26 0.00 0.00 64.21 63.98 1ub5 n SER 132 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ub5 n GLY 133 N 1.09 3.24 3.79 5.00 0.00 0.85 -5.06 105.19 114.11 1ub5 n GLY 133 Ca 0.12 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.85 1ub5 n GLY 133 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ub5 s GLY 134 N -2.63 1.58 -0.31 -0.02 0.00 -1.02 -1.44 107.32 103.47 1ub5 s GLY 134 Ca 0.00 -0.53 -0.02 0.00 0.00 0.00 0.00 44.72 44.17 1ub5 s GLY 134 CO 0.00 0.03 0.82 0.00 0.00 0.00 0.00 173.10 173.94 1ub5 s ALA 135 N -3.29 -3.24 -0.05 3.20 0.00 -0.98 -3.69 121.76 113.71 1ub5 s ALA 135 Ca 0.64 1.09 0.04 0.00 0.00 0.00 0.00 51.96 53.73 1ub5 s ALA 135 Cb -0.15 -2.73 -0.00 0.00 0.00 0.00 0.00 23.12 20.24 1ub5 s ALA 135 CO 0.53 -2.05 -0.19 -1.54 0.00 0.00 0.00 175.76 172.51 1ub5 s SER 136 N 2.66 2.41 -0.16 0.00 1.04 -1.26 -1.10 113.70 117.29 1ub5 s SER 136 Ca 0.18 -0.40 -0.06 0.00 0.48 0.00 0.00 55.95 56.15 1ub5 s SER 136 Cb -0.05 -0.75 -0.04 0.00 0.10 0.00 0.00 66.02 65.28 1ub5 s SER 136 CO -0.21 0.16 0.03 0.54 0.98 0.00 0.00 173.24 174.74 1ub5 s VAL 137 N 0.08 4.53 0.05 5.02 0.11 -0.32 -3.48 120.40 126.39 1ub5 s VAL 137 Ca -0.06 -0.13 0.09 0.00 -2.93 0.00 0.00 61.98 58.94 1ub5 s VAL 137 Cb -0.13 -3.01 -0.03 0.00 -1.53 0.00 0.00 36.38 31.68 1ub5 s VAL 137 CO 0.03 0.49 -0.24 -0.69 -3.33 0.00 0.00 175.10 171.36 1ub5 s VAL 138 N 0.14 1.98 -0.16 2.04 1.01 -0.56 -1.78 120.40 123.07 1ub5 s VAL 138 Ca 0.03 -1.33 -0.09 0.00 0.00 0.00 0.00 61.98 60.60 1ub5 s VAL 138 Cb -0.13 -1.70 0.06 0.00 0.00 0.00 0.00 36.38 34.61 1ub5 s VAL 138 CO 0.01 0.31 0.38 0.00 0.00 0.00 0.00 175.10 175.80 1ub5 s PHE 140 N 1.35 3.58 -0.55 0.00 0.08 0.56 -2.01 117.98 120.99 1ub5 s PHE 140 Ca -0.09 0.52 0.02 0.00 0.12 0.00 0.00 56.93 57.49 1ub5 s PHE 140 Cb -0.09 -1.96 0.14 0.00 -0.57 0.00 0.00 43.02 40.54 1ub5 s PHE 140 CO -0.12 0.70 0.31 -0.51 -0.10 0.00 0.00 175.22 175.50 1ub5 s LEU 141 N -0.91 4.60 0.18 -0.37 1.02 -0.54 -1.66 118.68 121.00 1ub5 s LEU 141 Ca 0.14 -2.95 0.03 0.00 0.02 0.00 0.00 54.13 51.37 1ub5 s LEU 141 Cb -0.12 -1.70 -0.03 0.00 0.02 0.00 0.00 46.19 44.35 1ub5 s LEU 141 CO 0.04 -0.28 0.32 0.20 0.02 0.00 0.00 176.35 176.65 1ub5 s ASN 142 N 0.03 6.34 -1.20 2.29 0.02 -0.61 -1.67 114.94 120.14 1ub5 s ASN 142 Ca 0.17 0.18 -0.28 0.00 -1.02 0.00 0.00 52.86 51.91 1ub5 s ASN 142 Cb -0.24 -1.91 0.02 0.00 0.02 0.00 0.00 41.25 39.14 1ub5 s ASN 142 CO -0.01 0.01 0.70 0.59 0.02 0.00 0.00 177.10 178.41 1ub5 n ASN 143 N -0.76 -4.36 -4.66 -1.22 4.13 -0.74 -1.06 115.26 106.58 1ub5 n ASN 143 Ca -0.07 -1.19 -0.24 0.00 1.68 0.00 0.00 54.58 54.75 1ub5 n ASN 143 Cb 0.55 -2.32 -0.08 0.00 -1.54 0.00 0.00 39.78 36.38 1ub5 n ASN 143 CO 0.00 0.00 0.00 0.72 0.28 0.00 0.00 177.26 178.26 1ub5 s PHE 144 N -3.54 2.59 -0.27 3.10 -0.71 0.55 -4.58 117.98 115.12 1ub5 s PHE 144 Ca 0.47 -0.43 -0.22 0.00 -1.04 0.00 0.00 56.93 55.71 1ub5 s PHE 144 Cb -0.22 -1.55 0.08 0.00 -1.21 0.00 0.00 43.02 40.12 1ub5 s PHE 144 CO 0.93 0.43 0.75 -0.47 -1.34 0.00 0.00 175.22 175.52 1ub5 s TYR 145 N -2.50 -0.84 0.53 3.49 5.04 -0.81 -0.65 117.35 121.61 1ub5 s TYR 145 Ca 0.36 1.90 -0.09 0.00 -2.44 0.00 0.00 57.07 56.80 1ub5 s TYR 145 Cb -0.00 0.40 0.14 0.00 0.35 0.00 0.00 41.96 42.84 1ub5 s TYR 145 CO 0.20 -0.41 0.36 -2.30 -1.34 0.00 0.00 175.55 172.06 1ub5 n PRO 146 N 3.21 -2.68 0.18 4.97 -0.02 -1.26 -1.78 135.00 137.62 1ub5 n PRO 146 Ca -0.16 -0.59 0.12 0.00 -2.02 0.00 0.00 63.50 60.85 1ub5 n PRO 146 Cb 0.56 -0.69 0.24 0.00 -0.02 0.00 0.00 33.50 33.59 1ub5 n PRO 146 CO 0.00 0.00 0.00 1.57 1.98 0.00 0.00 175.50 179.05 1ub5 h LYS 147 N 0.00 0.00 -6.22 -0.52 -0.00 -1.99 -3.45 116.57 104.39 1ub5 h LYS 147 Ca -0.15 0.00 -0.56 0.00 -0.00 0.00 0.00 60.65 59.94 1ub5 h LYS 147 Cb 0.50 0.00 -0.02 0.00 -0.00 0.00 0.00 32.23 32.71 1ub5 h LYS 147 CO 0.09 0.00 0.98 -0.51 -0.00 0.00 0.00 179.45 180.02 1ub5 s ASP 148 N -5.62 6.81 0.25 7.07 1.11 -1.26 -4.97 116.67 120.06 1ub5 s ASP 148 Ca 0.08 1.98 -0.21 0.00 0.18 0.00 0.00 52.55 54.59 1ub5 s ASP 148 Cb 0.08 -2.54 0.03 0.00 1.07 0.00 0.00 42.92 41.55 1ub5 s ASP 148 CO 0.65 -0.83 0.67 -0.51 1.18 0.00 0.00 175.17 176.33 1ub5 s ILE 149 N 3.64 0.00 -0.16 0.77 2.07 -1.26 -4.53 121.20 121.72 1ub5 s ILE 149 Ca 0.64 -0.86 -0.11 0.00 -1.41 0.00 0.00 60.65 58.92 1ub5 s ILE 149 Cb -0.28 -1.83 0.05 0.00 0.13 0.00 0.00 42.46 40.53 1ub5 s ILE 149 CO 0.23 -0.01 0.40 0.54 -1.91 0.00 0.00 174.94 174.19 1ub5 s ASN 150 N -2.90 -0.47 0.05 4.50 2.20 -1.20 -5.05 114.94 112.07 1ub5 s ASN 150 Ca 0.10 0.85 0.05 0.00 -0.94 0.00 0.00 52.86 52.92 1ub5 s ASN 150 Cb -0.05 0.77 -0.04 0.00 -2.00 0.00 0.00 41.25 39.94 1ub5 s ASN 150 CO 0.03 -0.17 -0.09 0.54 -2.94 0.00 0.00 177.10 174.47 1ub5 s VAL 151 N 1.00 3.45 -0.01 3.54 0.11 -1.26 -1.22 120.40 126.02 1ub5 s VAL 151 Ca -0.06 -1.03 0.01 0.00 -2.93 0.00 0.00 61.98 57.97 1ub5 s VAL 151 Cb -0.07 -2.55 0.00 0.00 -1.53 0.00 0.00 36.38 32.24 1ub5 s VAL 151 CO -0.08 0.26 -0.04 -0.75 -3.33 0.00 0.00 175.10 171.16 1ub5 s LYS 152 N -1.78 0.37 -0.03 1.54 2.20 0.20 -4.97 119.74 117.27 1ub5 s LYS 152 Ca 0.19 -0.12 -0.02 0.00 -0.36 0.00 0.00 55.97 55.67 1ub5 s LYS 152 Cb -0.11 -0.39 -0.04 0.00 -1.51 0.00 0.00 37.83 35.78 1ub5 s LYS 152 CO 0.10 0.05 0.09 -1.58 -0.36 0.00 0.00 175.35 173.65 1ub5 s TRP 153 N 0.13 3.34 -0.10 4.03 0.52 -1.26 0.11 118.94 125.70 1ub5 s TRP 153 Ca -0.01 0.26 -0.03 0.00 0.02 0.00 0.00 56.10 56.35 1ub5 s TRP 153 Cb -0.04 -1.78 0.04 0.00 -1.15 0.00 0.00 33.47 30.54 1ub5 s TRP 153 CO -0.00 0.58 0.06 0.15 0.02 0.00 0.00 176.95 177.75 1ub5 s LYS 154 N -1.54 0.17 -0.37 4.98 1.02 -0.47 -1.51 119.74 122.03 1ub5 s LYS 154 Ca 0.21 0.10 -0.10 0.00 0.02 0.00 0.00 55.97 56.19 1ub5 s LYS 154 Cb -0.12 -1.19 0.03 0.00 -0.52 0.00 0.00 37.83 36.03 1ub5 s LYS 154 CO 0.11 -0.47 0.19 0.42 -0.92 0.00 0.00 175.35 174.69 1ub5 s ILE 155 N 2.09 4.49 -1.24 2.17 1.01 0.38 -0.09 121.20 130.02 1ub5 s ILE 155 Ca 0.03 -0.85 -0.06 0.00 0.00 0.00 0.00 60.65 59.77 1ub5 s ILE 155 Cb -0.14 -3.50 0.01 0.00 0.01 0.00 0.00 42.46 38.84 1ub5 s ILE 155 CO -0.06 -0.21 1.07 0.47 0.00 0.00 0.00 174.94 176.22 1ub5 n ASP 156 N 4.98 -5.06 0.00 3.58 8.00 -0.71 -2.09 116.55 125.25 1ub5 n ASP 156 Ca -0.12 -0.53 0.00 0.00 0.71 0.00 0.00 54.79 54.85 1ub5 n ASP 156 Cb 0.46 -4.80 0.00 0.00 -0.02 0.00 0.00 41.12 36.76 1ub5 n ASP 156 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ub5 n GLY 157 N -1.72 2.96 3.87 0.44 0.00 -1.26 -5.01 105.19 104.47 1ub5 n GLY 157 Ca -0.07 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.61 1ub5 n GLY 157 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1ub5 s SER 158 N -1.56 6.63 -0.22 1.61 0.15 -0.89 -5.00 113.70 114.42 1ub5 s SER 158 Ca 0.00 0.78 -0.28 0.00 0.70 0.00 0.00 55.95 57.15 1ub5 s SER 158 Cb 0.00 -2.17 0.00 0.00 -1.71 0.00 0.00 66.02 62.14 1ub5 s SER 158 CO 0.00 0.14 0.97 -1.61 1.20 0.00 0.00 173.24 173.94 1ub5 s GLU 159 N -2.05 4.26 -0.60 5.44 2.02 -1.26 0.15 118.70 126.65 1ub5 s GLU 159 Ca 0.35 1.24 -0.09 0.00 0.02 0.00 0.00 54.97 56.49 1ub5 s GLU 159 Cb -0.14 -3.63 0.16 0.00 0.10 0.00 0.00 34.13 30.62 1ub5 s GLU 159 CO 0.19 -0.55 0.47 0.50 0.02 0.00 0.00 175.26 175.89 1ub5 s ARG 160 N 2.93 2.77 0.01 1.61 6.06 -0.57 -4.88 118.95 126.87 1ub5 s ARG 160 Ca 0.42 -2.15 0.13 0.00 -2.50 0.00 0.00 55.73 51.62 1ub5 s ARG 160 Cb -0.15 -3.99 -0.20 0.00 0.06 0.00 0.00 34.95 30.66 1ub5 s ARG 160 CO 0.08 -1.21 0.81 0.37 -2.50 0.00 0.00 175.30 172.85 1ub5 h GLN 161 N 7.88 0.00 -6.80 5.12 4.15 -1.95 -3.40 115.11 120.12 1ub5 h GLN 161 Ca -0.08 0.00 -0.49 0.00 0.77 0.00 0.00 58.65 58.85 1ub5 h GLN 161 Cb 1.03 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.71 1ub5 h GLN 161 CO 0.80 0.54 0.39 1.21 -1.93 0.00 0.00 178.83 179.83 1ub5 s ASN 162 N -6.15 7.44 0.00 -0.69 2.47 -1.26 -3.72 114.94 113.03 1ub5 s ASN 162 Ca -0.03 2.03 0.00 0.00 0.42 0.00 0.00 52.86 55.28 1ub5 s ASN 162 Cb 0.08 -2.61 0.00 0.00 -1.45 0.00 0.00 41.25 37.28 1ub5 s ASN 162 CO 0.82 -0.00 0.00 0.61 -3.72 0.00 0.00 177.10 174.81 1ub5 n GLY 163 N 1.19 0.69 3.83 1.21 0.00 -1.26 -4.93 105.19 105.92 1ub5 n GLY 163 Ca -0.01 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.65 1ub5 n GLY 163 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ub5 s VAL 164 N -2.36 5.40 -0.05 1.61 0.11 -1.24 -1.46 120.40 122.41 1ub5 s VAL 164 Ca 0.00 0.17 0.05 0.00 -2.93 0.00 0.00 61.98 59.27 1ub5 s VAL 164 Cb 0.00 -3.38 -0.00 0.00 -1.53 0.00 0.00 36.38 31.47 1ub5 s VAL 164 CO 0.00 0.57 -0.19 -0.76 -3.33 0.00 0.00 175.10 171.39 1ub5 s LEU 165 N -0.67 1.95 0.04 2.54 1.43 -0.29 -4.96 118.68 118.72 1ub5 s LEU 165 Ca 0.13 -0.40 0.09 0.00 -1.03 0.00 0.00 54.13 52.92 1ub5 s LEU 165 Cb -0.12 -1.08 -0.03 0.00 0.03 0.00 0.00 46.19 44.99 1ub5 s LEU 165 CO 0.02 0.17 -0.26 0.20 0.23 0.00 0.00 176.35 176.71 1ub5 s ASN 166 N 0.04 3.12 -0.03 2.29 0.01 -1.26 -0.38 114.94 118.73 1ub5 s ASN 166 Ca -0.05 -0.59 -0.00 0.00 -0.71 0.00 0.00 52.86 51.51 1ub5 s ASN 166 Cb -0.13 -0.28 0.03 0.00 0.41 0.00 0.00 41.25 41.28 1ub5 s ASN 166 CO 0.03 0.25 0.03 -0.55 -1.51 0.00 0.00 177.10 175.35 1ub5 s SER 167 N -1.22 0.43 0.00 -1.22 0.15 -0.65 -4.98 113.70 106.21 1ub5 s SER 167 Ca 0.11 0.03 0.04 0.00 0.70 0.00 0.00 55.95 56.84 1ub5 s SER 167 Cb -0.10 -0.13 -0.03 0.00 -1.71 0.00 0.00 66.02 64.05 1ub5 s SER 167 CO 0.02 -0.15 -0.12 0.26 1.20 0.00 0.00 173.24 174.45 1ub5 s TRP 168 N 1.35 2.75 0.60 3.44 0.51 -1.26 -0.97 118.94 125.36 1ub5 s TRP 168 Ca -0.06 -0.13 -0.01 0.00 -2.12 0.00 0.00 56.10 53.79 1ub5 s TRP 168 Cb -0.13 -1.57 0.05 0.00 -0.81 0.00 0.00 33.47 31.01 1ub5 s TRP 168 CO -0.03 0.29 0.85 0.95 -0.51 0.00 0.00 176.95 178.51 1ub5 s THR 169 N -0.91 2.52 0.70 2.01 -4.23 -0.57 -5.00 115.64 110.16 1ub5 s THR 169 Ca 0.15 -0.57 -0.05 0.00 -1.18 0.00 0.00 61.69 60.04 1ub5 s THR 169 Cb -0.11 -2.95 0.08 0.00 1.34 0.00 0.00 72.50 70.85 1ub5 s THR 169 CO 0.05 0.00 1.00 -1.81 -0.54 0.00 0.00 174.62 173.32 1ub5 s ASP 170 N -4.48 4.70 0.17 3.99 1.01 -1.26 -4.63 116.67 116.16 1ub5 s ASP 170 Ca 0.59 0.27 -0.33 0.00 0.71 0.00 0.00 52.55 53.79 1ub5 s ASP 170 Cb -0.10 -0.88 -0.13 0.00 1.01 0.00 0.00 42.92 42.82 1ub5 s ASP 170 CO 0.40 -1.65 1.65 1.67 0.21 0.00 0.00 175.17 177.45 1ub5 n GLN 171 N -2.89 2.40 -1.73 8.23 7.27 -1.26 -4.75 117.38 124.65 1ub5 n GLN 171 Ca 0.09 0.87 -0.42 0.00 0.07 0.00 0.00 57.00 57.61 1ub5 n GLN 171 Cb 0.60 -2.67 -0.02 0.00 2.41 0.00 0.00 30.24 30.56 1ub5 n GLN 171 CO 0.00 0.00 0.00 -3.47 0.07 0.00 0.00 177.06 173.66 1ub5 n ASP 172 N 3.80 3.68 0.01 1.69 2.03 0.81 -4.88 116.55 123.69 1ub5 n ASP 172 Ca 0.17 1.13 0.08 0.00 0.52 0.00 0.00 54.79 56.69 1ub5 n ASP 172 Cb 0.31 -1.56 0.37 0.00 -0.72 0.00 0.00 41.12 39.53 1ub5 n ASP 172 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 1ub5 n SER 173 N 2.54 0.04 -0.05 1.67 2.88 -1.26 -1.82 113.62 117.63 1ub5 n SER 173 Ca 0.11 0.51 -0.11 0.00 -1.33 0.00 0.00 58.87 58.05 1ub5 n SER 173 Cb 0.35 -0.52 -0.04 0.00 -0.75 0.00 0.00 64.21 63.26 1ub5 n SER 173 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1ub5 n LYS 174 N -1.54 0.25 0.00 -1.46 4.76 -1.26 -1.42 118.16 117.48 1ub5 n LYS 174 Ca 0.04 0.11 0.11 0.00 -2.87 0.00 0.00 58.31 55.69 1ub5 n LYS 174 Cb 0.20 -0.92 -0.02 0.00 -1.84 0.00 0.00 35.03 32.45 1ub5 n LYS 174 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 1ub5 n ASP 175 N -3.62 1.85 -1.00 4.39 4.64 -1.26 -4.84 116.55 116.70 1ub5 n ASP 175 Ca -0.20 -1.42 -0.13 0.00 -1.38 0.00 0.00 54.79 51.66 1ub5 n ASP 175 Cb 0.57 0.55 -0.06 0.00 -1.04 0.00 0.00 41.12 41.15 1ub5 n ASP 175 CO 0.00 0.00 0.00 -1.20 -0.82 0.00 0.00 177.20 175.18 1ub5 n SER 176 N -0.24 -4.94 -5.00 1.67 7.64 -0.75 -4.97 113.62 107.03 1ub5 n SER 176 Ca 0.08 0.32 -0.20 0.00 1.01 0.00 0.00 58.87 60.09 1ub5 n SER 176 Cb 0.44 -3.59 0.07 0.00 -1.01 0.00 0.00 64.21 60.11 1ub5 n SER 176 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 1ub5 s THR 177 N -2.37 2.16 0.23 0.44 -4.23 -1.26 -4.59 115.64 106.02 1ub5 s THR 177 Ca 0.00 -0.96 0.11 0.00 -1.18 0.00 0.00 61.69 59.66 1ub5 s THR 177 Cb 0.00 -2.20 -0.05 0.00 1.34 0.00 0.00 72.50 71.60 1ub5 s THR 177 CO 0.00 0.00 -0.21 -0.31 -0.54 0.00 0.00 174.62 173.56 1ub5 s TYR 178 N -2.71 2.21 0.09 3.99 2.02 0.18 -0.13 117.35 123.00 1ub5 s TYR 178 Ca 0.62 -0.37 -0.06 0.00 -0.37 0.00 0.00 57.07 56.89 1ub5 s TYR 178 Cb -0.06 -1.02 -0.02 0.00 -0.40 0.00 0.00 41.96 40.47 1ub5 s TYR 178 CO 0.39 0.59 0.12 -1.12 -1.57 0.00 0.00 175.55 173.96 1ub5 s SER 179 N -3.14 0.24 0.19 2.29 0.01 -1.26 -0.33 113.70 111.70 1ub5 s SER 179 Ca 0.25 -0.81 -0.23 0.00 1.31 0.00 0.00 55.95 56.47 1ub5 s SER 179 Cb -0.06 0.30 0.06 0.00 0.21 0.00 0.00 66.02 66.53 1ub5 s SER 179 CO 0.12 -0.70 0.66 0.00 0.41 0.00 0.00 173.24 173.72 1ub5 s MET 180 N -3.90 1.42 0.02 12.44 0.23 -0.67 -1.52 119.30 127.33 1ub5 s MET 180 Ca 0.08 -0.63 0.04 0.00 -1.03 0.00 0.00 55.69 54.15 1ub5 s MET 180 Cb 0.06 0.58 -0.02 0.00 -1.53 0.00 0.00 34.83 33.93 1ub5 s MET 180 CO -0.09 -0.63 -0.12 -1.54 -2.03 0.00 0.00 175.02 170.61 1ub5 s SER 181 N -2.80 1.38 -0.11 -1.18 1.04 -0.14 -1.47 113.70 110.42 1ub5 s SER 181 Ca 0.05 -0.37 0.03 0.00 0.48 0.00 0.00 55.95 56.13 1ub5 s SER 181 Cb -0.03 -0.09 0.00 0.00 0.10 0.00 0.00 66.02 66.01 1ub5 s SER 181 CO -0.06 0.03 -0.22 -0.44 0.98 0.00 0.00 173.24 173.53 1ub5 s SER 182 N -0.89 2.98 -0.20 7.02 0.01 -0.85 -1.63 113.70 120.13 1ub5 s SER 182 Ca 0.01 -0.55 -0.01 0.00 1.31 0.00 0.00 55.95 56.71 1ub5 s SER 182 Cb -0.07 -1.37 0.06 0.00 0.21 0.00 0.00 66.02 64.85 1ub5 s SER 182 CO 0.01 0.12 -0.02 -0.89 0.41 0.00 0.00 173.24 172.86 1ub5 s THR 183 N 0.55 1.09 -0.38 1.44 2.01 0.49 -2.44 115.64 118.40 1ub5 s THR 183 Ca -0.14 -0.85 -0.21 0.00 0.31 0.00 0.00 61.69 60.80 1ub5 s THR 183 Cb -0.17 -1.41 0.01 0.00 0.01 0.00 0.00 72.50 70.94 1ub5 s THR 183 CO 0.04 -0.08 0.66 -0.22 -0.69 0.00 0.00 174.62 174.34 1ub5 s LEU 184 N 1.61 4.30 -0.18 4.42 1.98 -0.73 -1.14 118.68 128.94 1ub5 s LEU 184 Ca -0.03 0.03 -0.05 0.00 -2.89 0.00 0.00 54.13 51.19 1ub5 s LEU 184 Cb -0.17 -2.80 -0.03 0.00 0.66 0.00 0.00 46.19 43.85 1ub5 s LEU 184 CO -0.07 -0.67 0.01 -0.89 -1.89 0.00 0.00 176.35 172.84 1ub5 s THR 185 N 2.80 4.23 0.29 3.68 2.01 -0.54 -1.17 115.64 126.94 1ub5 s THR 185 Ca 0.25 -0.23 -0.08 0.00 0.31 0.00 0.00 61.69 61.94 1ub5 s THR 185 Cb -0.14 -2.89 -0.00 0.00 0.01 0.00 0.00 72.50 69.47 1ub5 s THR 185 CO 0.17 0.46 0.47 -1.48 -0.69 0.00 0.00 174.62 173.54 1ub5 s LEU 186 N 0.60 0.61 0.52 4.42 0.05 -0.26 -4.81 118.68 119.82 1ub5 s LEU 186 Ca 0.00 -1.18 -0.18 0.00 0.05 0.00 0.00 54.13 52.82 1ub5 s LEU 186 Cb -0.14 1.62 -0.07 0.00 -2.05 0.00 0.00 46.19 45.56 1ub5 s LEU 186 CO 0.02 -1.21 1.03 0.42 -0.55 0.00 0.00 176.35 176.06 1ub5 s THR 187 N -3.56 3.96 0.54 5.48 -4.23 -1.26 -2.31 115.64 114.25 1ub5 s THR 187 Ca 0.26 1.08 0.21 0.00 -1.18 0.00 0.00 61.69 62.06 1ub5 s THR 187 Cb -0.00 -3.48 0.32 0.00 1.34 0.00 0.00 72.50 70.67 1ub5 s THR 187 CO 0.13 -0.40 2.13 0.50 -0.54 0.00 0.00 174.62 176.44 1ub5 h LYS 188 N 1.13 0.00 -0.04 3.99 3.64 -1.43 -0.92 116.57 122.95 1ub5 h LYS 188 Ca -0.48 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 58.89 1ub5 h LYS 188 Cb 1.21 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 33.03 1ub5 h LYS 188 CO 0.59 0.00 -0.01 -0.44 -2.27 0.00 0.00 179.45 177.32 1ub5 h ASP 189 N 0.00 0.07 -0.23 4.20 3.32 -1.91 -0.65 116.42 121.22 1ub5 h ASP 189 Ca 0.06 -0.35 -0.05 0.00 0.02 0.00 0.00 57.03 56.71 1ub5 h ASP 189 Cb 0.26 -0.02 -0.02 0.00 0.22 0.00 0.00 39.33 39.77 1ub5 h ASP 189 CO -0.00 0.40 -0.00 -0.08 -1.72 0.00 0.00 179.24 177.84 1ub5 h GLU 190 N -0.26 0.53 -0.41 3.56 4.57 -1.75 -2.71 114.58 118.10 1ub5 h GLU 190 Ca 0.01 -0.11 -0.10 0.00 -1.18 0.00 0.00 59.36 57.98 1ub5 h GLU 190 Cb 0.37 -0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 28.87 1ub5 h GLU 190 CO 0.00 0.56 -0.14 -0.92 -1.18 0.00 0.00 179.01 177.33 1ub5 h TYR 191 N 0.51 0.93 -0.11 0.92 3.20 -1.06 -3.29 116.97 118.08 1ub5 h TYR 191 Ca 0.11 -0.21 -0.00 0.00 3.14 0.00 0.00 58.73 61.76 1ub5 h TYR 191 Cb 0.33 -0.22 -0.00 0.00 1.54 0.00 0.00 36.73 38.37 1ub5 h TYR 191 CO 0.01 0.96 0.05 0.93 -1.64 0.00 0.00 178.16 178.47 1ub5 h GLU 192 N 0.64 0.15 -0.04 1.82 4.39 -0.81 -2.87 114.58 117.86 1ub5 h GLU 192 Ca 0.10 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.77 1ub5 h GLU 192 Cb 0.68 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.30 1ub5 h GLU 192 CO 0.05 0.24 0.00 2.89 -1.16 0.00 0.00 179.01 181.03 1ub5 n ARG 193 N -4.93 0.12 -4.07 2.33 1.85 -1.06 -4.61 116.66 106.28 1ub5 n ARG 193 Ca -0.05 0.00 -0.10 0.00 -1.00 0.00 0.00 57.85 56.69 1ub5 n ARG 193 Cb 0.10 -1.02 -0.08 0.00 -1.05 0.00 0.00 32.46 30.41 1ub5 n ARG 193 CO 0.00 0.00 0.00 -1.01 -0.01 0.00 0.00 177.63 176.61 1ub5 s HIS 194 N -1.62 0.69 -0.21 2.89 3.76 -1.08 -5.11 115.29 114.62 1ub5 s HIS 194 Ca 0.00 -1.00 -0.27 0.00 -0.15 0.00 0.00 55.06 53.64 1ub5 s HIS 194 Cb 0.00 -0.18 0.09 0.00 1.11 0.00 0.00 32.58 33.60 1ub5 s HIS 194 CO 0.00 -0.78 0.80 0.54 -0.85 0.00 0.00 174.74 174.45 1ub5 s ASN 195 N -3.06 -0.63 0.00 1.40 2.20 -1.26 -4.97 114.94 108.62 1ub5 s ASN 195 Ca 0.27 1.05 0.00 0.00 -0.94 0.00 0.00 52.86 53.25 1ub5 s ASN 195 Cb 0.03 1.01 0.00 0.00 -2.00 0.00 0.00 41.25 40.30 1ub5 s ASN 195 CO 0.08 -0.33 0.00 0.61 -2.94 0.00 0.00 177.10 174.52 1ub5 n GLY 196 N 1.97 -1.27 3.68 0.45 0.00 -1.19 -4.28 105.19 104.55 1ub5 n GLY 196 Ca -0.15 -0.38 -0.35 0.00 0.00 0.00 0.00 46.02 45.15 1ub5 n GLY 196 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ub5 s TYR 197 N -0.24 3.17 -0.14 1.61 1.51 -0.66 -1.73 117.35 120.87 1ub5 s TYR 197 Ca 0.00 0.19 0.02 0.00 -1.01 0.00 0.00 57.07 56.28 1ub5 s TYR 197 Cb 0.00 -1.80 0.00 0.00 -0.11 0.00 0.00 41.96 40.06 1ub5 s TYR 197 CO 0.00 0.47 -0.21 0.99 -1.11 0.00 0.00 175.55 175.69 1ub5 s THR 198 N -0.86 2.22 -0.40 -0.71 2.01 0.88 -2.13 115.64 116.64 1ub5 s THR 198 Ca 0.13 -0.93 -0.08 0.00 0.31 0.00 0.00 61.69 61.12 1ub5 s THR 198 Cb -0.11 -1.89 0.08 0.00 0.01 0.00 0.00 72.50 70.58 1ub5 s THR 198 CO 0.02 0.54 0.22 0.00 -0.69 0.00 0.00 174.62 174.72 1ub5 s GLU 200 N 1.39 3.95 -0.26 0.00 2.12 0.12 -1.26 118.70 124.76 1ub5 s GLU 200 Ca 0.03 -0.36 0.02 0.00 0.36 0.00 0.00 54.97 55.02 1ub5 s GLU 200 Cb -0.22 -3.21 0.06 0.00 0.26 0.00 0.00 34.13 31.02 1ub5 s GLU 200 CO 0.01 0.25 -0.08 0.00 -0.54 0.00 0.00 175.26 174.90 1ub5 s ALA 201 N 0.44 2.37 -0.44 6.30 0.00 -0.78 0.62 121.76 130.27 1ub5 s ALA 201 Ca 0.03 -1.68 -0.10 0.00 0.00 0.00 0.00 51.96 50.20 1ub5 s ALA 201 Cb -0.13 -1.56 0.09 0.00 0.00 0.00 0.00 23.12 21.52 1ub5 s ALA 201 CO 0.01 -1.24 0.31 0.99 0.00 0.00 0.00 175.76 175.83 1ub5 s THR 202 N 1.19 4.42 0.47 0.00 2.01 -0.36 -2.22 115.64 121.15 1ub5 s THR 202 Ca -0.06 -1.44 -0.02 0.00 0.31 0.00 0.00 61.69 60.48 1ub5 s THR 202 Cb -0.20 -3.75 0.10 0.00 0.01 0.00 0.00 72.50 68.66 1ub5 s THR 202 CO -0.06 -0.60 0.64 1.57 -0.69 0.00 0.00 174.62 175.48 1ub5 n HIS 203 N 4.97 -3.27 0.55 4.92 -0.00 -1.26 -3.20 115.22 117.93 1ub5 n HIS 203 Ca -0.10 -1.00 0.06 0.00 0.46 0.00 0.00 57.72 57.14 1ub5 n HIS 203 Cb 0.42 -0.47 0.01 0.00 -0.12 0.00 0.00 29.99 29.83 1ub5 n HIS 203 CO 0.00 0.00 0.00 1.63 0.46 0.00 0.00 176.34 178.43 1ub5 n LYS 204 N -2.22 1.71 0.07 1.57 4.76 -1.26 -4.62 118.16 118.17 1ub5 n LYS 204 Ca 0.10 -0.80 -0.08 0.00 -2.87 0.00 0.00 58.31 54.66 1ub5 n LYS 204 Cb 0.35 -1.18 -0.05 0.00 -1.84 0.00 0.00 35.03 32.32 1ub5 n LYS 204 CO 0.00 0.00 0.00 1.79 -1.37 0.00 0.00 177.40 177.82 1ub5 h THR 205 N 1.62 0.41 -1.01 -0.18 1.35 -1.94 -3.47 112.91 109.69 1ub5 h THR 205 Ca 0.00 -0.99 -0.51 0.00 -0.55 0.00 0.00 66.41 64.36 1ub5 h THR 205 Cb 0.45 0.71 -0.02 0.00 -1.73 0.00 0.00 68.15 67.56 1ub5 h THR 205 CO 0.00 0.12 -0.27 -0.94 -0.25 0.00 0.00 175.52 174.18 1ub5 s SER 206 N -5.34 4.98 0.00 5.36 1.04 -1.26 -5.03 113.70 113.45 1ub5 s SER 206 Ca -0.08 -0.91 0.13 0.00 0.48 0.00 0.00 55.95 55.57 1ub5 s SER 206 Cb 0.00 -0.02 0.13 0.00 0.10 0.00 0.00 66.02 66.23 1ub5 s SER 206 CO 0.29 -0.99 0.96 0.41 0.98 0.00 0.00 173.24 174.89 1ub5 n THR 207 N -1.83 0.10 -3.52 2.02 -1.04 -1.26 -4.76 114.28 103.99 1ub5 n THR 207 Ca 0.06 -0.55 -0.40 0.00 -2.04 0.00 0.00 64.05 61.11 1ub5 n THR 207 Cb 0.62 1.21 -0.04 0.00 -1.82 0.00 0.00 70.33 70.29 1ub5 n THR 207 CO 0.00 0.00 0.00 -0.55 -0.64 0.00 0.00 175.07 173.88 1ub5 s SER 208 N -1.11 6.37 -0.36 8.00 0.15 -1.26 -5.04 113.70 120.45 1ub5 s SER 208 Ca 0.17 -3.39 -0.38 0.00 0.70 0.00 0.00 55.95 53.05 1ub5 s SER 208 Cb 0.12 -2.03 -0.14 0.00 -1.71 0.00 0.00 66.02 62.25 1ub5 s SER 208 CO 0.17 -0.30 2.07 -2.65 1.20 0.00 0.00 173.24 173.72 1ub5 n PRO 209 N 2.88 0.91 -2.05 5.44 -0.02 -1.26 -4.85 135.00 136.04 1ub5 n PRO 209 Ca 0.19 0.28 -0.43 0.00 -2.02 0.00 0.00 63.50 61.51 1ub5 n PRO 209 Cb 0.39 -2.20 -0.03 0.00 -0.02 0.00 0.00 33.50 31.65 1ub5 n PRO 209 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1ub5 s ILE 210 N 6.09 3.54 -0.06 4.25 1.01 -0.94 -4.82 121.20 130.27 1ub5 s ILE 210 Ca 1.09 0.56 0.05 0.00 0.00 0.00 0.00 60.65 62.34 1ub5 s ILE 210 Cb -1.03 -3.71 -0.02 0.00 0.01 0.00 0.00 42.46 37.72 1ub5 s ILE 210 CO 0.56 -0.43 -0.20 0.68 0.00 0.00 0.00 174.94 175.55 1ub5 s VAL 211 N 6.50 2.49 -0.04 2.92 -7.23 -1.26 -1.87 120.40 121.90 1ub5 s VAL 211 Ca 0.77 -0.91 0.04 0.00 -1.81 0.00 0.00 61.98 60.07 1ub5 s VAL 211 Cb -0.22 -1.95 -0.00 0.00 0.56 0.00 0.00 36.38 34.77 1ub5 s VAL 211 CO 0.33 0.57 -0.16 -0.54 -0.31 0.00 0.00 175.10 174.99 1ub5 s LYS 212 N -0.27 1.69 0.23 4.82 -0.14 -0.39 -5.00 119.74 120.69 1ub5 s LYS 212 Ca 0.00 -0.56 -0.01 0.00 -1.36 0.00 0.00 55.97 54.03 1ub5 s LYS 212 Cb -0.13 -1.47 -0.03 0.00 -1.68 0.00 0.00 37.83 34.52 1ub5 s LYS 212 CO 0.03 0.22 0.22 -1.12 -0.76 0.00 0.00 175.35 173.93 1ub5 s SER 213 N 0.09 0.39 0.00 2.83 0.01 -1.26 -0.19 113.70 115.56 1ub5 s SER 213 Ca -0.04 -1.39 0.00 0.00 1.31 0.00 0.00 55.95 55.83 1ub5 s SER 213 Cb -0.11 0.45 0.00 0.00 0.21 0.00 0.00 66.02 66.57 1ub5 s SER 213 CO 0.02 -0.94 0.00 2.22 0.41 0.00 0.00 173.24 174.95