#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ubu n SER 20 N 0.00 -2.47 -4.75 6.43 3.41 -1.26 -4.87 113.62 110.12 1ubu n SER 20 Ca 0.00 -0.31 -0.41 0.00 -0.26 0.00 0.00 58.87 57.89 1ubu n SER 20 Cb 0.00 -0.45 -0.02 0.00 -0.26 0.00 0.00 64.21 63.48 1ubu n SER 20 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 175.04 174.41 1ubu s TYR 21 N -1.42 3.07 -0.07 7.33 5.04 -1.26 -4.45 117.35 125.59 1ubu s TYR 21 Ca 0.24 1.15 0.04 0.00 -2.44 0.00 0.00 57.07 56.05 1ubu s TYR 21 Cb -0.04 -3.75 0.00 0.00 0.35 0.00 0.00 41.96 38.52 1ubu s TYR 21 CO 0.20 -2.34 -0.18 -1.12 -1.34 0.00 0.00 175.55 170.76 1ubu s SER 22 N 0.18 2.40 0.00 4.32 0.01 -1.26 -0.34 113.70 119.01 1ubu s SER 22 Ca 0.57 -0.41 0.00 0.00 1.31 0.00 0.00 55.95 57.41 1ubu s SER 22 Cb -0.40 -0.95 0.00 0.00 0.21 0.00 0.00 66.02 64.88 1ubu s SER 22 CO 0.44 0.12 0.00 0.61 0.41 0.00 0.00 173.24 174.83 1ubu n GLY 23 N 3.46 -0.06 3.83 3.44 0.00 0.03 -4.97 105.19 110.91 1ubu n GLY 23 Ca -0.20 -1.70 -0.33 0.00 0.00 0.00 0.00 46.02 43.79 1ubu n GLY 23 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ubu s PRO 24 N -1.71 4.08 -0.03 1.61 0.04 -1.26 0.59 135.00 138.32 1ubu s PRO 24 Ca 0.00 1.08 0.03 0.00 0.04 0.00 0.00 61.00 62.16 1ubu s PRO 24 Cb 0.00 -2.15 -0.00 0.00 0.04 0.00 0.00 34.50 32.39 1ubu s PRO 24 CO 0.00 -0.16 -0.11 0.42 0.04 0.00 0.00 177.00 177.18 1ubu s ILE 25 N -2.32 0.96 -0.05 0.56 1.01 -0.27 -4.88 121.20 116.21 1ubu s ILE 25 Ca 0.61 -0.47 0.06 0.00 0.00 0.00 0.00 60.65 60.86 1ubu s ILE 25 Cb -0.10 -0.84 -0.01 0.00 0.01 0.00 0.00 42.46 41.52 1ubu s ILE 25 CO 0.20 0.29 -0.24 -0.69 0.00 0.00 0.00 174.94 174.50 1ubu s VAL 26 N 0.09 1.99 -0.32 2.92 1.01 -1.26 -0.77 120.40 124.06 1ubu s VAL 26 Ca -0.02 -1.04 0.02 0.00 0.00 0.00 0.00 61.98 60.95 1ubu s VAL 26 Cb -0.09 -1.68 0.09 0.00 0.00 0.00 0.00 36.38 34.70 1ubu s VAL 26 CO 0.01 0.56 0.05 -0.69 0.00 0.00 0.00 175.10 175.02 1ubu s VAL 27 N -0.19 1.80 -0.27 2.92 1.01 -0.03 -5.01 120.40 120.63 1ubu s VAL 27 Ca -0.02 -1.93 -0.00 0.00 0.00 0.00 0.00 61.98 60.03 1ubu s VAL 27 Cb -0.13 -2.29 0.15 0.00 0.00 0.00 0.00 36.38 34.11 1ubu s VAL 27 CO 0.03 -0.54 0.41 -0.62 0.00 0.00 0.00 175.10 174.38 1ubu s ASP 28 N 1.16 0.14 0.31 3.32 3.68 -1.26 -1.01 116.67 123.01 1ubu s ASP 28 Ca 0.08 -0.01 -0.25 0.00 2.13 0.00 0.00 52.55 54.50 1ubu s ASP 28 Cb -0.19 1.21 -0.10 0.00 -1.45 0.00 0.00 42.92 42.40 1ubu s ASP 28 CO -0.13 -0.32 0.91 -2.16 0.13 0.00 0.00 175.17 173.60 1ubu s PRO 29 N 2.58 4.52 -0.38 4.34 0.04 -1.26 -5.09 135.00 139.75 1ubu s PRO 29 Ca 0.12 1.25 -0.29 0.00 0.04 0.00 0.00 61.00 62.12 1ubu s PRO 29 Cb -0.14 -2.80 0.01 0.00 0.04 0.00 0.00 34.50 31.61 1ubu s PRO 29 CO -0.23 0.29 1.38 0.08 0.04 0.00 0.00 177.00 178.56 1ubu s VAL 30 N -1.62 3.97 0.78 -0.36 1.01 -0.55 -5.02 120.40 118.60 1ubu s VAL 30 Ca 0.49 1.02 -0.06 0.00 0.00 0.00 0.00 61.98 63.43 1ubu s VAL 30 Cb -0.18 -4.19 0.13 0.00 0.00 0.00 0.00 36.38 32.14 1ubu s VAL 30 CO 0.23 -0.69 1.08 0.42 0.00 0.00 0.00 175.10 176.14 1ubu s THR 31 N 5.13 2.14 -1.43 3.92 -4.23 -1.26 -4.44 115.64 115.47 1ubu s THR 31 Ca 0.60 -0.39 -0.08 0.00 -1.18 0.00 0.00 61.69 60.64 1ubu s THR 31 Cb -0.14 -2.75 0.05 0.00 1.34 0.00 0.00 72.50 70.99 1ubu s THR 31 CO 0.30 0.00 0.89 0.54 -0.54 0.00 0.00 174.62 175.81 1ubu n ARG 32 N -3.08 -5.45 -4.27 3.99 1.74 -1.26 -5.00 116.66 103.33 1ubu n ARG 32 Ca 0.14 0.62 -0.16 0.00 -0.77 0.00 0.00 57.85 57.68 1ubu n ARG 32 Cb 0.60 -5.39 -0.10 0.00 -1.02 0.00 0.00 32.46 26.55 1ubu n ARG 32 CO 0.00 0.00 0.00 0.96 -1.52 0.00 0.00 177.63 177.07 1ubu s ILE 33 N -3.45 0.19 0.09 0.55 -4.36 -1.26 -4.73 121.20 108.22 1ubu s ILE 33 Ca 0.39 -2.00 -0.21 0.00 -0.26 0.00 0.00 60.65 58.57 1ubu s ILE 33 Cb -0.19 -2.53 -0.07 0.00 1.25 0.00 0.00 42.46 40.92 1ubu s ILE 33 CO 0.82 0.00 0.64 -0.70 0.24 0.00 0.00 174.94 175.94 1ubu s GLU 34 N -3.95 4.33 0.75 0.37 -6.30 -1.08 -4.98 118.70 107.85 1ubu s GLU 34 Ca 0.38 0.87 0.00 0.00 -2.50 0.00 0.00 54.97 53.72 1ubu s GLU 34 Cb 0.06 -3.26 0.00 0.00 0.00 0.00 0.00 34.13 30.93 1ubu s GLU 34 CO 0.16 0.57 0.00 0.41 0.02 0.00 0.00 175.26 176.42 1ubu n GLY 35 N 1.81 -2.13 3.16 -1.50 0.00 -1.26 -0.57 105.19 104.70 1ubu n GLY 35 Ca -0.08 -1.52 -0.38 0.00 0.00 0.00 0.00 46.02 44.05 1ubu n GLY 35 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1ubu s HIS 36 N -0.15 3.50 -0.06 1.61 3.76 -1.26 -4.82 115.29 117.87 1ubu s HIS 36 Ca 0.00 -2.16 0.06 0.00 -0.15 0.00 0.00 55.06 52.81 1ubu s HIS 36 Cb 0.00 -3.21 -0.01 0.00 1.11 0.00 0.00 32.58 30.47 1ubu s HIS 36 CO 0.00 -0.96 -0.24 -1.17 -0.85 0.00 0.00 174.74 171.52 1ubu s LEU 37 N 1.23 2.06 -0.19 0.89 0.20 -1.26 -1.30 118.68 120.31 1ubu s LEU 37 Ca 0.06 -0.51 -0.02 0.00 0.69 0.00 0.00 54.13 54.36 1ubu s LEU 37 Cb -0.24 -1.35 -0.00 0.00 -0.43 0.00 0.00 46.19 44.18 1ubu s LEU 37 CO -0.02 0.23 -0.10 -0.60 -0.29 0.00 0.00 176.35 175.56 1ubu s ARG 38 N -0.08 3.28 -0.17 1.98 3.52 0.62 -1.49 118.95 126.60 1ubu s ARG 38 Ca -0.06 -0.69 -0.06 0.00 -0.13 0.00 0.00 55.73 54.79 1ubu s ARG 38 Cb -0.14 -2.81 -0.04 0.00 -1.56 0.00 0.00 34.95 30.40 1ubu s ARG 38 CO 0.04 -0.12 0.02 0.42 -0.81 0.00 0.00 175.30 174.86 1ubu s ILE 39 N 1.19 4.41 -0.09 4.11 -1.09 -0.18 -0.92 121.20 128.63 1ubu s ILE 39 Ca 0.02 -0.17 0.03 0.00 -2.23 0.00 0.00 60.65 58.30 1ubu s ILE 39 Cb -0.14 -2.97 -0.01 0.00 -1.58 0.00 0.00 42.46 37.76 1ubu s ILE 39 CO -0.04 0.48 -0.18 -1.61 -1.23 0.00 0.00 174.94 172.36 1ubu s GLU 40 N 0.36 2.94 0.11 2.79 2.02 -0.67 -0.85 118.70 125.40 1ubu s GLU 40 Ca -0.00 -0.77 0.05 0.00 0.02 0.00 0.00 54.97 54.26 1ubu s GLU 40 Cb -0.13 -2.41 -0.04 0.00 0.10 0.00 0.00 34.13 31.65 1ubu s GLU 40 CO 0.01 0.34 -0.11 0.14 0.02 0.00 0.00 175.26 175.65 1ubu s VAL 41 N -0.01 1.10 -0.17 2.63 -7.23 0.05 -0.63 120.40 116.15 1ubu s VAL 41 Ca -0.06 -1.71 -0.06 0.00 -1.81 0.00 0.00 61.98 58.34 1ubu s VAL 41 Cb -0.15 -1.47 -0.04 0.00 0.56 0.00 0.00 36.38 35.28 1ubu s VAL 41 CO 0.05 -0.53 0.04 -1.61 -0.31 0.00 0.00 175.10 172.73 1ubu s GLU 42 N -2.86 3.84 0.14 4.82 2.02 -0.45 -1.12 118.70 125.10 1ubu s GLU 42 Ca 0.08 -0.38 0.10 0.00 0.02 0.00 0.00 54.97 54.79 1ubu s GLU 42 Cb -0.03 -3.12 -0.04 0.00 0.10 0.00 0.00 34.13 31.04 1ubu s GLU 42 CO 0.01 0.31 -0.22 0.54 0.02 0.00 0.00 175.26 175.92 1ubu s VAL 43 N 0.25 2.54 -0.13 2.63 0.11 0.20 -0.94 120.40 125.06 1ubu s VAL 43 Ca 0.02 -1.72 -0.02 0.00 -2.93 0.00 0.00 61.98 57.34 1ubu s VAL 43 Cb -0.13 -2.17 0.04 0.00 -1.53 0.00 0.00 36.38 32.60 1ubu s VAL 43 CO 0.01 0.04 0.00 -0.70 -3.33 0.00 0.00 175.10 171.12 1ubu s GLU 44 N -2.25 0.81 -1.33 1.54 2.12 0.19 -0.79 118.70 118.99 1ubu s GLU 44 Ca 0.17 -0.20 -0.09 0.00 0.36 0.00 0.00 54.97 55.22 1ubu s GLU 44 Cb -0.10 -1.58 0.01 0.00 0.26 0.00 0.00 34.13 32.72 1ubu s GLU 44 CO 0.09 -0.44 1.15 -1.71 -0.54 0.00 0.00 175.26 173.81 1ubu n ASN 45 N 5.06 -6.30 0.00 -1.70 5.15 -1.07 -2.23 115.26 114.17 1ubu n ASN 45 Ca -0.09 -0.52 0.00 0.00 -0.60 0.00 0.00 54.58 53.37 1ubu n ASN 45 Cb 0.49 -4.93 0.00 0.00 -0.53 0.00 0.00 39.78 34.80 1ubu n ASN 45 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1ubu n GLY 46 N -1.98 0.50 3.01 8.20 0.00 0.54 -4.64 105.19 110.82 1ubu n GLY 46 Ca 0.01 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.86 1ubu n GLY 46 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ubu s LYS 47 N -0.21 0.57 0.14 1.61 1.02 -0.95 -1.12 119.74 120.80 1ubu s LYS 47 Ca 0.00 -0.36 -0.31 0.00 0.02 0.00 0.00 55.97 55.32 1ubu s LYS 47 Cb 0.00 -0.52 -0.09 0.00 -0.52 0.00 0.00 37.83 36.70 1ubu s LYS 47 CO 0.00 0.14 1.49 0.08 -0.92 0.00 0.00 175.35 176.13 1ubu s VAL 48 N -0.40 2.92 -0.22 3.17 1.01 0.09 -0.63 120.40 126.35 1ubu s VAL 48 Ca 0.01 0.66 0.07 0.00 0.00 0.00 0.00 61.98 62.72 1ubu s VAL 48 Cb -0.04 -3.42 -0.08 0.00 0.00 0.00 0.00 36.38 32.83 1ubu s VAL 48 CO -0.00 0.05 0.24 2.29 0.00 0.00 0.00 175.10 177.68 1ubu n LYS 49 N 3.95 3.29 -3.62 2.72 2.85 -0.11 -0.35 118.16 126.88 1ubu n LYS 49 Ca 0.13 -0.02 -0.14 0.00 -1.05 0.00 0.00 58.31 57.22 1ubu n LYS 49 Cb 0.40 -0.93 -0.06 0.00 -0.65 0.00 0.00 35.03 33.79 1ubu n LYS 49 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 177.40 178.56 1ubu s ASN 50 N -2.01 -0.40 -0.07 -5.58 3.04 -1.18 -4.95 114.94 103.78 1ubu s ASN 50 Ca 0.01 0.23 -0.15 0.00 0.04 0.00 0.00 52.86 52.99 1ubu s ASN 50 Cb 0.05 0.45 0.03 0.00 -1.54 0.00 0.00 41.25 40.24 1ubu s ASN 50 CO 0.28 -0.64 0.36 0.00 -3.04 0.00 0.00 177.10 174.06 1ubu s ALA 51 N -2.00 -0.89 -0.06 1.71 0.00 -1.26 -1.34 121.76 117.91 1ubu s ALA 51 Ca -0.08 0.68 0.02 0.00 0.00 0.00 0.00 51.96 52.58 1ubu s ALA 51 Cb -0.01 -0.22 0.02 0.00 0.00 0.00 0.00 23.12 22.90 1ubu s ALA 51 CO 0.02 -0.23 -0.11 0.71 0.00 0.00 0.00 175.76 176.15 1ubu s TYR 52 N -0.68 1.34 -0.45 0.00 2.02 0.20 -4.87 117.35 114.90 1ubu s TYR 52 Ca -0.08 -0.49 -0.14 0.00 -0.37 0.00 0.00 57.07 55.99 1ubu s TYR 52 Cb -0.04 -1.01 0.07 0.00 -0.40 0.00 0.00 41.96 40.58 1ubu s TYR 52 CO 0.03 -0.27 0.36 0.45 -1.57 0.00 0.00 175.55 174.55 1ubu s SER 53 N 0.75 6.05 -0.30 2.29 0.15 -1.26 -1.67 113.70 119.71 1ubu s SER 53 Ca -0.13 -1.30 -0.05 0.00 0.70 0.00 0.00 55.95 55.17 1ubu s SER 53 Cb -0.15 -2.15 0.03 0.00 -1.71 0.00 0.00 66.02 62.04 1ubu s SER 53 CO 0.03 -0.60 0.05 -0.55 1.20 0.00 0.00 173.24 173.36 1ubu s SER 54 N 2.40 5.01 -0.16 5.45 0.15 -0.10 -4.46 113.70 121.99 1ubu s SER 54 Ca 0.04 -1.01 -0.17 0.00 0.70 0.00 0.00 55.95 55.50 1ubu s SER 54 Cb -0.23 -1.81 -0.04 0.00 -1.71 0.00 0.00 66.02 62.23 1ubu s SER 54 CO 0.06 -0.24 0.46 -0.44 1.20 0.00 0.00 173.24 174.28 1ubu s SER 55 N 1.38 6.58 -0.09 5.45 0.01 -1.26 -0.28 113.70 125.50 1ubu s SER 55 Ca -0.01 0.70 0.13 0.00 1.31 0.00 0.00 55.95 58.07 1ubu s SER 55 Cb -0.18 -2.27 0.25 0.00 0.21 0.00 0.00 66.02 64.02 1ubu s SER 55 CO 0.01 -0.06 1.16 0.35 0.41 0.00 0.00 173.24 175.11 1ubu n THR 56 N 4.03 1.63 -4.62 1.44 -2.24 -0.42 -1.69 114.28 112.42 1ubu n THR 56 Ca -0.07 -1.76 -0.23 0.00 -2.27 0.00 0.00 64.05 59.72 1ubu n THR 56 Cb 0.51 0.02 -0.16 0.00 -2.10 0.00 0.00 70.33 68.61 1ubu n THR 56 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 1ubu s LEU 57 N -2.20 1.84 -0.03 3.22 2.96 -1.26 -5.04 118.68 118.17 1ubu s LEU 57 Ca 0.24 -0.27 0.07 0.00 -0.22 0.00 0.00 54.13 53.95 1ubu s LEU 57 Cb 0.20 -0.77 -0.02 0.00 0.50 0.00 0.00 46.19 46.10 1ubu s LEU 57 CO 0.04 0.11 -0.24 0.12 -1.32 0.00 0.00 176.35 175.06 1ubu s PHE 58 N 0.14 2.20 -0.05 5.38 5.36 -1.26 -4.86 117.98 124.89 1ubu s PHE 58 Ca -0.04 -0.46 0.00 0.00 -0.96 0.00 0.00 56.93 55.47 1ubu s PHE 58 Cb -0.10 -1.42 -0.03 0.00 -0.34 0.00 0.00 43.02 41.12 1ubu s PHE 58 CO 0.01 -0.07 -0.05 0.54 -1.46 0.00 0.00 175.22 174.20 1ubu n ARG 59 N 2.58 0.13 -1.78 10.12 1.74 -0.63 -5.08 116.66 123.74 1ubu n ARG 59 Ca -0.16 0.03 0.00 0.00 -0.77 0.00 0.00 57.85 56.95 1ubu n ARG 59 Cb 0.52 -1.06 0.00 0.00 -1.02 0.00 0.00 32.46 30.89 1ubu n ARG 59 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1ubu n GLY 60 N 3.20 0.95 0.29 -0.13 0.00 -0.83 -4.97 105.19 103.69 1ubu n GLY 60 Ca -0.09 -0.52 0.06 0.00 0.00 0.00 0.00 46.02 45.47 1ubu n GLY 60 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1ubu h LEU 61 N 0.00 0.24 -0.94 0.99 3.38 -1.91 -1.15 115.31 115.92 1ubu h LEU 61 Ca 0.00 -0.01 -0.07 0.00 0.09 0.00 0.00 57.88 57.89 1ubu h LEU 61 Cb 0.73 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.40 1ubu h LEU 61 CO 0.00 0.17 0.01 -0.33 0.09 0.00 0.00 178.44 178.38 1ubu h GLU 62 N 0.28 0.78 -0.41 1.13 5.08 -1.93 -1.31 114.58 118.21 1ubu h GLU 62 Ca 0.08 -0.21 -0.07 0.00 -1.00 0.00 0.00 59.36 58.17 1ubu h GLU 62 Cb -0.03 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.12 1ubu h GLU 62 CO -0.02 0.78 -0.00 0.82 -1.00 0.00 0.00 179.01 179.59 1ubu h ILE 63 N 0.73 1.26 -0.09 3.13 2.04 -1.57 -3.13 117.51 119.87 1ubu h ILE 63 Ca 0.14 -1.03 -0.04 0.00 1.00 0.00 0.00 64.86 64.93 1ubu h ILE 63 Cb 0.44 1.12 -0.01 0.00 -0.74 0.00 0.00 36.82 37.62 1ubu h ILE 63 CO 0.02 0.35 -0.14 0.40 0.00 0.00 0.00 178.15 178.77 1ubu h ILE 64 N 0.56 1.16 0.00 -0.67 2.04 -0.96 -2.56 117.51 117.08 1ubu h ILE 64 Ca 0.12 -0.71 -0.00 0.00 1.00 0.00 0.00 64.86 65.26 1ubu h ILE 64 Cb 0.49 1.25 -0.00 0.00 -0.74 0.00 0.00 36.82 37.82 1ubu h ILE 64 CO 0.02 0.21 -0.01 -0.07 0.00 0.00 0.00 178.15 178.30 1ubu h LEU 65 N 0.14 0.00 -9.54 1.44 3.38 -1.19 -3.46 115.31 106.07 1ubu h LEU 65 Ca 0.03 0.00 -0.58 0.00 0.09 0.00 0.00 57.88 57.42 1ubu h LEU 65 Cb 0.34 0.00 0.06 0.00 0.09 0.00 0.00 40.66 41.16 1ubu h LEU 65 CO 0.02 0.01 0.79 0.29 0.09 0.00 0.00 178.44 179.64 1ubu n LYS 66 N -3.11 2.20 -0.26 1.13 5.02 -0.97 -2.05 118.16 120.12 1ubu n LYS 66 Ca 0.01 0.79 0.00 0.00 -2.02 0.00 0.00 58.31 57.10 1ubu n LYS 66 Cb 0.37 -2.55 0.00 0.00 -0.02 0.00 0.00 35.03 32.83 1ubu n LYS 66 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1ubu n GLY 67 N 3.19 1.37 3.95 0.72 0.00 0.58 -4.96 105.19 110.04 1ubu n GLY 67 Ca 0.16 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.93 1ubu n GLY 67 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ubu s ARG 68 N -0.40 2.01 0.04 1.61 0.52 -0.87 -4.50 118.95 117.36 1ubu s ARG 68 Ca 0.00 -0.57 -0.30 0.00 -0.52 0.00 0.00 55.73 54.34 1ubu s ARG 68 Cb 0.00 -2.24 -0.06 0.00 0.52 0.00 0.00 34.95 33.16 1ubu s ARG 68 CO 0.00 -1.28 1.44 0.34 0.02 0.00 0.00 175.30 175.82 1ubu s ASP 69 N -4.58 6.81 0.50 0.23 -1.08 -1.26 -0.69 116.67 116.60 1ubu s ASP 69 Ca 0.62 2.22 0.24 0.00 -0.52 0.00 0.00 52.55 55.11 1ubu s ASP 69 Cb -0.09 -2.57 1.32 0.00 -1.46 0.00 0.00 42.92 40.12 1ubu s ASP 69 CO 0.44 -0.73 1.95 -0.65 0.52 0.00 0.00 175.17 176.70 1ubu h PRO 70 N 7.69 0.12 0.00 4.34 0.11 -1.90 0.71 132.00 143.07 1ubu h PRO 70 Ca -0.40 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 65.70 1ubu h PRO 70 Cb 1.19 -0.03 -0.00 0.00 0.11 0.00 0.00 31.00 32.27 1ubu h PRO 70 CO 0.90 0.08 -0.01 0.00 -0.21 0.00 0.00 178.00 178.75 1ubu h ARG 71 N 0.12 0.00 0.00 1.05 3.08 -1.95 -2.44 114.38 114.25 1ubu h ARG 71 Ca 0.33 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.38 1ubu h ARG 71 Cb 1.13 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.18 1ubu h ARG 71 CO -0.04 0.01 -0.40 -0.44 -1.07 0.00 0.00 179.97 178.04 1ubu h ASP 72 N 0.00 0.00 -0.51 7.04 3.32 -1.23 -3.38 116.42 121.66 1ubu h ASP 72 Ca -0.00 -0.12 0.04 0.00 0.02 0.00 0.00 57.03 56.97 1ubu h ASP 72 Cb 0.07 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.58 1ubu h ASP 72 CO 0.00 0.06 0.27 0.00 -1.72 0.00 0.00 179.24 177.85 1ubu h ALA 73 N 2.47 0.65 -0.13 3.45 0.00 -1.47 -2.24 119.26 121.99 1ubu h ALA 73 Ca 0.00 0.01 0.03 0.00 0.00 0.00 0.00 54.91 54.95 1ubu h ALA 73 Cb 0.76 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 1ubu h ALA 73 CO 0.00 -0.06 0.09 -0.56 0.00 0.00 0.00 179.25 178.72 1ubu h GLN 74 N 0.53 0.05 -0.16 0.00 3.07 -1.79 0.33 115.11 117.14 1ubu h GLN 74 Ca 0.22 -0.00 -0.22 0.00 0.09 0.00 0.00 58.65 58.74 1ubu h GLN 74 Cb 0.10 -0.01 0.01 0.00 0.08 0.00 0.00 27.48 27.66 1ubu h GLN 74 CO -0.14 0.03 -0.74 0.45 0.09 0.00 0.00 178.83 178.52 1ubu h HIS 75 N 0.05 1.05 -0.09 0.06 3.86 -1.68 -1.00 115.15 117.40 1ubu h HIS 75 Ca 0.06 -0.46 -0.04 0.00 -1.16 0.00 0.00 60.37 58.77 1ubu h HIS 75 Cb 0.18 -0.16 -0.00 0.00 1.06 0.00 0.00 27.41 28.48 1ubu h HIS 75 CO -0.00 1.29 -0.09 0.74 0.86 0.00 0.00 177.93 180.73 1ubu h PHE 76 N 0.51 0.27 0.00 2.45 -1.00 -1.18 -3.31 116.94 114.68 1ubu h PHE 76 Ca -0.05 -0.08 -0.01 0.00 2.81 0.00 0.00 57.97 60.64 1ubu h PHE 76 Cb 1.38 -0.06 -0.00 0.00 3.61 0.00 0.00 35.95 40.88 1ubu h PHE 76 CO 0.09 0.64 -0.05 1.79 -1.61 0.00 0.00 178.31 179.17 1ubu h THR 77 N -0.19 0.12 -0.18 -1.55 1.35 -0.39 -1.22 112.91 110.85 1ubu h THR 77 Ca 0.02 -0.68 0.03 0.00 -0.55 0.00 0.00 66.41 65.22 1ubu h THR 77 Cb 0.59 1.61 -0.01 0.00 -1.73 0.00 0.00 68.15 68.61 1ubu h THR 77 CO 0.02 0.05 0.12 -0.61 -0.25 0.00 0.00 175.52 174.85 1ubu h GLN 78 N 0.00 0.11 -0.03 4.72 4.15 -1.26 -0.20 115.11 122.60 1ubu h GLN 78 Ca -0.00 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.41 1ubu h GLN 78 Cb 0.60 -0.02 0.00 0.00 0.21 0.00 0.00 27.48 28.27 1ubu h GLN 78 CO 0.01 0.07 0.00 0.54 -1.93 0.00 0.00 178.83 177.52 1ubu n ARG 79 N -4.50 1.04 -0.33 1.69 3.00 -0.46 -2.58 116.66 114.52 1ubu n ARG 79 Ca 0.01 -0.07 0.04 0.00 -0.01 0.00 0.00 57.85 57.81 1ubu n ARG 79 Cb 0.18 -1.02 0.21 0.00 0.00 0.00 0.00 32.46 31.83 1ubu n ARG 79 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.63 178.78 1ubu h THR 80 N 0.11 1.07 -1.89 0.55 2.02 -1.12 -3.45 112.91 110.21 1ubu h THR 80 Ca 0.00 -0.37 0.04 0.00 0.77 0.00 0.00 66.41 66.84 1ubu h THR 80 Cb 0.03 -0.12 -0.22 0.00 -1.74 0.00 0.00 68.15 66.10 1ubu h THR 80 CO 0.00 0.20 0.12 0.00 0.37 0.00 0.00 175.52 176.21 1ubu n GLY 82 N 4.00 -0.16 0.06 0.00 0.00 -1.26 -3.15 105.19 104.67 1ubu n GLY 82 Ca -0.19 -0.60 -0.01 0.00 0.00 0.00 0.00 46.02 45.22 1ubu n GLY 82 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1ubu h VAL 83 N 2.03 0.00 -0.48 1.61 2.07 -1.96 -3.30 116.25 116.23 1ubu h VAL 83 Ca 0.00 -0.79 -0.38 0.00 0.82 0.00 0.00 66.70 66.35 1ubu h VAL 83 Cb 0.70 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 30.36 1ubu h VAL 83 CO 0.00 0.00 0.46 0.00 0.02 0.00 0.00 177.57 178.05 1ubu n THR 85 N 1.94 0.00 0.00 0.00 5.66 -1.19 -2.82 114.28 117.87 1ubu n THR 85 Ca 0.50 -0.16 0.00 0.00 -3.05 0.00 0.00 64.05 61.33 1ubu n THR 85 Cb 0.68 -0.82 0.00 0.00 -1.55 0.00 0.00 70.33 68.64 1ubu n THR 85 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1ubu n TYR 86 N -4.14 0.00 -0.30 1.09 -0.00 -1.26 -4.72 117.16 107.83 1ubu n TYR 86 Ca 0.08 0.00 0.06 0.00 -0.00 0.00 0.00 57.90 58.04 1ubu n TYR 86 Cb 0.54 0.00 0.27 0.00 -0.00 0.00 0.00 39.34 40.15 1ubu n TYR 86 CO 0.00 0.00 0.00 1.79 -0.00 0.00 0.00 176.86 178.65 1ubu h THR 87 N 0.00 0.99 0.01 2.97 1.35 -1.88 0.03 112.91 116.38 1ubu h THR 87 Ca 0.00 -0.32 -0.19 0.00 -0.55 0.00 0.00 66.41 65.34 1ubu h THR 87 Cb 0.00 -0.03 -0.02 0.00 -1.73 0.00 0.00 68.15 66.37 1ubu h THR 87 CO 0.00 0.17 -0.90 0.45 -0.25 0.00 0.00 175.52 175.00 1ubu h HIS 88 N 0.94 0.13 -0.93 4.73 3.86 -1.85 0.10 115.15 122.13 1ubu h HIS 88 Ca 0.42 -0.08 -0.01 0.00 -1.16 0.00 0.00 60.37 59.54 1ubu h HIS 88 Cb 0.36 -0.01 -0.04 0.00 1.06 0.00 0.00 27.41 28.77 1ubu h HIS 88 CO -0.00 0.93 0.54 0.00 0.86 0.00 0.00 177.93 180.26 1ubu h ALA 89 N 1.04 1.19 -0.31 2.45 0.00 -1.34 0.59 119.26 122.89 1ubu h ALA 89 Ca -0.03 -0.11 -0.09 0.00 0.00 0.00 0.00 54.91 54.68 1ubu h ALA 89 Cb 1.56 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 1ubu h ALA 89 CO 0.13 0.66 -0.17 1.25 0.00 0.00 0.00 179.25 181.12 1ubu h LEU 90 N 1.29 0.68 -0.58 0.00 5.85 -0.86 0.00 115.31 121.69 1ubu h LEU 90 Ca 0.33 -0.41 -0.05 0.00 0.84 0.00 0.00 57.88 58.59 1ubu h LEU 90 Cb -0.03 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 40.79 1ubu h LEU 90 CO -0.06 0.95 0.17 0.00 -0.34 0.00 0.00 178.44 179.16 1ubu h ALA 91 N 0.76 0.77 -0.39 1.25 0.00 -0.72 0.11 119.26 121.03 1ubu h ALA 91 Ca 0.07 -0.21 -0.12 0.00 0.00 0.00 0.00 54.91 54.65 1ubu h ALA 91 Cb 0.70 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 1ubu h ALA 91 CO 0.05 0.44 -0.23 0.77 0.00 0.00 0.00 179.25 180.29 1ubu h SER 92 N 0.83 0.80 -0.51 0.00 0.02 -0.78 0.72 113.55 114.63 1ubu h SER 92 Ca 0.19 -0.29 -0.12 0.00 -0.84 0.00 0.00 61.79 60.73 1ubu h SER 92 Cb 0.30 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 62.61 1ubu h SER 92 CO -0.00 1.00 -0.15 0.74 -1.14 0.00 0.00 176.83 177.28 1ubu h THR 93 N 0.69 1.27 -0.70 -2.27 2.02 -0.80 0.13 112.91 113.25 1ubu h THR 93 Ca 0.09 -1.30 -0.03 0.00 0.77 0.00 0.00 66.41 65.94 1ubu h THR 93 Cb 0.74 1.04 -0.03 0.00 -1.74 0.00 0.00 68.15 68.16 1ubu h THR 93 CO 0.06 0.46 0.32 0.03 0.37 0.00 0.00 175.52 176.76 1ubu h ARG 94 N 0.87 1.00 -0.12 6.66 3.08 -0.64 0.41 114.38 125.64 1ubu h ARG 94 Ca 0.13 -0.14 -0.02 0.00 0.07 0.00 0.00 59.98 60.02 1ubu h ARG 94 Cb 0.72 -0.18 -0.00 0.00 0.08 0.00 0.00 29.97 30.58 1ubu h ARG 94 CO 0.05 0.78 0.01 0.00 -1.07 0.00 0.00 179.97 179.75 1ubu h VAL 96 N -0.03 1.45 -0.61 0.00 2.07 -0.51 -1.33 116.25 117.28 1ubu h VAL 96 Ca 0.04 -2.46 0.12 0.00 0.82 0.00 0.00 66.70 65.22 1ubu h VAL 96 Cb 0.32 2.36 -0.09 0.00 -1.52 0.00 0.00 31.29 32.36 1ubu h VAL 96 CO 0.00 0.72 0.10 0.44 0.02 0.00 0.00 177.57 178.85 1ubu h ASP 97 N 0.16 -0.07 -0.44 0.57 3.45 -0.16 -1.13 116.42 118.80 1ubu h ASP 97 Ca -0.04 0.13 -0.04 0.00 0.43 0.00 0.00 57.03 57.50 1ubu h ASP 97 Cb 1.45 0.19 -0.02 0.00 -0.56 0.00 0.00 39.33 40.39 1ubu h ASP 97 CO 0.13 -0.03 0.12 -1.13 -1.57 0.00 0.00 179.24 176.76 1ubu h ASN 98 N 0.22 0.65 -0.49 6.45 -0.73 -1.01 -0.78 115.58 119.89 1ubu h ASN 98 Ca 0.32 -0.22 -0.06 0.00 1.87 0.00 0.00 56.30 58.21 1ubu h ASN 98 Cb 0.50 -0.17 -0.02 0.00 0.27 0.00 0.00 38.32 38.90 1ubu h ASN 98 CO -0.44 0.71 0.11 0.00 -0.37 0.00 0.00 177.43 177.43 1ubu h ALA 99 N 0.97 1.18 0.00 1.57 0.00 -0.76 -2.49 119.26 119.72 1ubu h ALA 99 Ca 0.14 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1ubu h ALA 99 Cb 0.30 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1ubu h ALA 99 CO -0.00 0.56 -0.15 0.28 0.00 0.00 0.00 179.25 179.94 1ubu n VAL 100 N -4.26 0.50 -1.63 0.00 0.31 -0.47 -4.74 118.33 108.04 1ubu n VAL 100 Ca 0.04 -0.26 -0.06 0.00 -0.01 0.00 0.00 64.34 64.04 1ubu n VAL 100 Cb 0.24 -0.47 -0.01 0.00 -0.91 0.00 0.00 33.84 32.69 1ubu n VAL 100 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1ubu n GLY 101 N 1.33 0.49 3.82 2.92 0.00 -0.39 -4.75 105.19 108.61 1ubu n GLY 101 Ca 0.05 -0.72 -0.37 0.00 0.00 0.00 0.00 46.02 44.98 1ubu n GLY 101 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ubu s VAL 102 N -2.26 4.75 -0.38 1.61 0.11 -0.65 -5.03 120.40 118.56 1ubu s VAL 102 Ca 0.00 1.08 -0.07 0.00 -2.93 0.00 0.00 61.98 60.07 1ubu s VAL 102 Cb 0.00 -3.83 0.06 0.00 -1.53 0.00 0.00 36.38 31.08 1ubu s VAL 102 CO 0.00 0.38 0.17 -1.00 -3.33 0.00 0.00 175.10 171.32 1ubu s HIS 103 N -1.31 3.33 0.69 1.54 0.09 -1.26 -4.66 115.29 113.71 1ubu s HIS 103 Ca 0.35 -1.60 -0.12 0.00 -0.00 0.00 0.00 55.06 53.69 1ubu s HIS 103 Cb -0.17 -2.64 0.01 0.00 -0.00 0.00 0.00 32.58 29.77 1ubu s HIS 103 CO 0.19 -0.81 1.07 0.96 -0.00 0.00 0.00 174.74 176.15 1ubu s ILE 104 N 1.37 3.83 0.83 0.60 -4.36 -1.26 -4.88 121.20 117.32 1ubu s ILE 104 Ca 0.01 0.65 -0.12 0.00 -0.26 0.00 0.00 60.65 60.94 1ubu s ILE 104 Cb -0.21 -3.29 0.10 0.00 1.25 0.00 0.00 42.46 40.30 1ubu s ILE 104 CO 0.02 -0.72 1.15 -2.84 0.24 0.00 0.00 174.94 172.79 1ubu s PRO 105 N -4.80 1.61 0.25 0.37 0.02 -1.26 -4.83 135.00 126.36 1ubu s PRO 105 Ca 0.60 1.53 -0.03 0.00 0.02 0.00 0.00 61.00 63.12 1ubu s PRO 105 Cb -0.15 -1.80 0.45 0.00 0.02 0.00 0.00 34.50 33.02 1ubu s PRO 105 CO 0.51 -2.19 1.79 0.87 -0.33 0.00 0.00 177.00 177.66 1ubu h LYS 106 N -1.25 0.71 -0.12 5.54 1.57 -1.93 -1.29 116.57 119.79 1ubu h LYS 106 Ca -0.44 -0.04 -0.07 0.00 -1.87 0.00 0.00 60.65 58.22 1ubu h LYS 106 Cb 1.27 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 33.41 1ubu h LYS 106 CO 0.46 0.47 -0.24 -0.91 -0.57 0.00 0.00 179.45 178.66 1ubu h ASN 107 N 0.73 0.21 -0.37 0.86 2.35 -1.91 -0.12 115.58 117.33 1ubu h ASN 107 Ca 0.42 -0.06 -0.11 0.00 -0.55 0.00 0.00 56.30 56.00 1ubu h ASN 107 Cb 0.47 -0.06 -0.02 0.00 0.05 0.00 0.00 38.32 38.77 1ubu h ASN 107 CO -0.29 0.47 -0.16 0.00 -1.65 0.00 0.00 177.43 175.80 1ubu h ALA 108 N 1.56 0.89 -0.12 -0.83 0.00 -1.45 0.52 119.26 119.83 1ubu h ALA 108 Ca 0.03 -0.35 -0.00 0.00 0.00 0.00 0.00 54.91 54.59 1ubu h ALA 108 Cb 0.55 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 1ubu h ALA 108 CO 0.04 0.63 0.06 1.15 0.00 0.00 0.00 179.25 181.13 1ubu h THR 109 N 0.74 1.10 -0.18 0.00 2.02 -1.02 0.05 112.91 115.62 1ubu h THR 109 Ca 0.11 -0.28 0.02 0.00 0.77 0.00 0.00 66.41 67.03 1ubu h THR 109 Cb 0.67 1.08 -0.02 0.00 -1.74 0.00 0.00 68.15 68.14 1ubu h THR 109 CO 0.05 0.09 0.06 1.88 0.37 0.00 0.00 175.52 177.97 1ubu h TYR 110 N 0.08 0.12 -0.45 3.16 0.99 -0.81 0.85 116.97 120.90 1ubu h TYR 110 Ca 0.04 0.01 -0.05 0.00 2.00 0.00 0.00 58.73 60.73 1ubu h TYR 110 Cb 0.09 -0.03 -0.02 0.00 1.00 0.00 0.00 36.73 37.77 1ubu h TYR 110 CO -0.04 0.06 0.08 0.82 -0.00 0.00 0.00 178.16 179.08 1ubu h ILE 111 N 0.15 1.24 -0.90 -2.88 2.04 -0.76 0.15 117.51 116.55 1ubu h ILE 111 Ca 0.08 -0.88 0.01 0.00 1.00 0.00 0.00 64.86 65.07 1ubu h ILE 111 Cb 0.04 0.95 -0.05 0.00 -0.74 0.00 0.00 36.82 37.02 1ubu h ILE 111 CO -0.07 0.31 0.60 0.03 0.00 0.00 0.00 178.15 179.01 1ubu h ARG 112 N 0.61 1.18 -0.48 2.37 3.08 -0.89 -1.18 114.38 119.07 1ubu h ARG 112 Ca 0.14 -0.07 -0.12 0.00 0.07 0.00 0.00 59.98 60.00 1ubu h ARG 112 Cb 0.37 -0.27 -0.02 0.00 0.08 0.00 0.00 29.97 30.14 1ubu h ARG 112 CO 0.01 0.78 -0.17 -0.91 -1.07 0.00 0.00 179.97 178.60 1ubu h ASN 113 N 1.21 0.94 -0.50 7.04 -0.26 -0.29 -2.10 115.58 121.63 1ubu h ASN 113 Ca 0.33 -0.33 -0.10 0.00 -0.56 0.00 0.00 56.30 55.64 1ubu h ASN 113 Cb -0.12 -0.26 -0.02 0.00 -1.06 0.00 0.00 38.32 36.86 1ubu h ASN 113 CO -0.08 1.09 -0.09 -0.07 -1.06 0.00 0.00 177.43 177.23 1ubu h LEU 114 N 0.82 0.94 -1.08 1.61 3.38 -0.36 0.53 115.31 121.14 1ubu h LEU 114 Ca 0.12 -0.35 -0.05 0.00 0.09 0.00 0.00 57.88 57.69 1ubu h LEU 114 Cb 0.72 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.19 1ubu h LEU 114 CO 0.06 1.07 0.12 0.58 0.09 0.00 0.00 178.44 180.35 1ubu h VAL 115 N 0.79 1.22 -0.36 1.22 2.07 -1.17 -1.63 116.25 118.38 1ubu h VAL 115 Ca 0.13 -0.79 -0.14 0.00 0.82 0.00 0.00 66.70 66.72 1ubu h VAL 115 Cb 0.64 0.70 -0.01 0.00 -1.52 0.00 0.00 31.29 31.10 1ubu h VAL 115 CO 0.04 0.29 -0.33 0.25 0.02 0.00 0.00 177.57 177.84 1ubu h LEU 116 N 0.75 0.85 -0.47 2.57 5.85 -1.01 -1.17 115.31 122.68 1ubu h LEU 116 Ca 0.17 -0.36 0.01 0.00 0.84 0.00 0.00 57.88 58.53 1ubu h LEU 116 Cb 0.28 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.05 1ubu h LEU 116 CO -0.00 1.11 0.31 1.23 -0.34 0.00 0.00 178.44 180.75 1ubu h GLY 117 N 0.91 0.66 1.28 3.75 0.00 -0.62 -1.26 103.07 107.79 1ubu h GLY 117 Ca 0.07 -0.25 0.00 0.00 0.00 0.00 0.00 47.33 47.16 1ubu h GLY 117 CO 0.08 0.24 0.47 0.00 0.00 0.00 0.00 176.54 177.33 1ubu h ALA 118 N 1.17 1.46 -0.41 3.60 0.00 -1.08 -2.29 119.26 121.71 1ubu h ALA 118 Ca 0.17 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1ubu h ALA 118 Cb -0.07 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.41 1ubu h ALA 118 CO -0.04 0.49 0.26 0.37 0.00 0.00 0.00 179.25 180.33 1ubu h GLN 119 N 0.99 0.55 -0.98 0.00 5.75 -0.42 -1.83 115.11 119.17 1ubu h GLN 119 Ca 0.26 -0.04 0.03 0.00 -0.15 0.00 0.00 58.65 58.75 1ubu h GLN 119 Cb -0.09 -0.12 -0.05 0.00 1.07 0.00 0.00 27.48 28.28 1ubu h GLN 119 CO -0.05 0.39 0.65 1.88 -2.65 0.00 0.00 178.83 179.04 1ubu h TYR 120 N 0.55 1.21 -0.16 3.99 -1.99 -0.71 -0.47 116.97 119.39 1ubu h TYR 120 Ca 0.15 0.03 -0.07 0.00 2.00 0.00 0.00 58.73 60.84 1ubu h TYR 120 Cb -0.03 -0.41 -0.00 0.00 2.00 0.00 0.00 36.73 38.29 1ubu h TYR 120 CO -0.04 0.72 -0.18 -0.07 -0.00 0.00 0.00 178.16 178.59 1ubu h LEU 121 N 1.27 0.44 -0.25 3.88 3.38 -1.06 -0.80 115.31 122.18 1ubu h LEU 121 Ca 0.38 -0.49 0.03 0.00 0.09 0.00 0.00 57.88 57.89 1ubu h LEU 121 Cb -0.05 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.55 1ubu h LEU 121 CO -0.11 0.84 0.06 -0.74 0.09 0.00 0.00 178.44 178.59 1ubu h HIS 122 N 0.05 0.10 0.04 1.13 2.76 -1.16 -2.10 115.15 115.98 1ubu h HIS 122 Ca 0.02 0.01 -0.00 0.00 -2.20 0.00 0.00 60.37 58.21 1ubu h HIS 122 Cb 0.72 -0.01 0.00 0.00 1.55 0.00 0.00 27.41 29.67 1ubu h HIS 122 CO 0.08 0.04 -0.02 0.22 -1.30 0.00 0.00 177.93 176.95 1ubu h ASP 123 N 0.16 -0.04 -0.15 3.26 1.82 -0.98 -1.85 116.42 118.64 1ubu h ASP 123 Ca 0.11 -0.20 -0.12 0.00 -0.39 0.00 0.00 57.03 56.44 1ubu h ASP 123 Cb 0.10 0.01 -0.01 0.00 0.68 0.00 0.00 39.33 40.11 1ubu h ASP 123 CO -0.14 0.17 -0.30 0.45 -1.61 0.00 0.00 179.24 177.81 1ubu h HIS 124 N -0.25 0.74 -0.22 0.28 3.86 -1.15 0.15 115.15 118.56 1ubu h HIS 124 Ca -0.00 -0.18 -0.01 0.00 -1.16 0.00 0.00 60.37 59.01 1ubu h HIS 124 Cb 0.23 -0.17 -0.01 0.00 1.06 0.00 0.00 27.41 28.52 1ubu h HIS 124 CO -0.01 0.87 0.09 0.82 0.86 0.00 0.00 177.93 180.56 1ubu h ILE 125 N 0.55 1.17 -0.85 2.45 2.04 -1.25 -1.30 117.51 120.32 1ubu h ILE 125 Ca 0.07 -0.51 -0.03 0.00 1.00 0.00 0.00 64.86 65.39 1ubu h ILE 125 Cb 0.79 1.10 -0.04 0.00 -0.74 0.00 0.00 36.82 37.94 1ubu h ILE 125 CO 0.07 0.17 0.42 0.58 0.00 0.00 0.00 178.15 179.38 1ubu h VAL 126 N 0.20 1.26 0.13 1.67 2.07 -1.16 -2.47 116.25 117.94 1ubu h VAL 126 Ca 0.07 -0.70 -0.00 0.00 0.82 0.00 0.00 66.70 66.89 1ubu h VAL 126 Cb 0.18 0.15 -0.00 0.00 -1.52 0.00 0.00 31.29 30.11 1ubu h VAL 126 CO -0.01 0.30 -0.07 -0.74 0.02 0.00 0.00 177.57 177.08 1ubu h HIS 127 N 1.20 -0.18 -0.18 1.57 -0.00 -0.42 0.29 115.15 117.43 1ubu h HIS 127 Ca 0.29 -0.00 -0.00 0.00 -0.00 0.00 0.00 60.37 60.66 1ubu h HIS 127 Cb 0.09 0.06 -0.01 0.00 -0.00 0.00 0.00 27.41 27.56 1ubu h HIS 127 CO 0.01 -0.11 0.10 0.35 -0.00 0.00 0.00 177.93 178.29 1ubu h PHE 128 N -0.19 0.25 0.02 5.26 3.04 -1.09 0.29 116.94 124.52 1ubu h PHE 128 Ca -0.01 -0.00 -0.00 0.00 3.98 0.00 0.00 57.97 61.93 1ubu h PHE 128 Cb 0.15 -0.08 0.00 0.00 2.56 0.00 0.00 35.95 38.58 1ubu h PHE 128 CO -0.08 0.22 -0.01 1.88 -2.02 0.00 0.00 178.31 178.31 1ubu h TYR 129 N 0.20 -0.02 0.00 0.41 0.05 -1.42 0.95 116.97 117.14 1ubu h TYR 129 Ca 0.06 -0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.84 1ubu h TYR 129 Cb 0.05 0.01 0.00 0.00 1.01 0.00 0.00 36.73 37.80 1ubu h TYR 129 CO -0.04 0.51 -0.93 0.45 -1.05 0.00 0.00 178.16 177.10 1ubu h HIS 130 N -0.99 0.00 0.00 4.88 3.86 -0.52 -3.27 115.15 119.11 1ubu h HIS 130 Ca -0.00 0.00 -0.24 0.00 -1.16 0.00 0.00 60.37 58.96 1ubu h HIS 130 Cb 0.54 0.00 -0.04 0.00 1.06 0.00 0.00 27.41 28.97 1ubu h HIS 130 CO 0.14 0.00 -1.88 1.28 0.86 0.00 0.00 177.93 178.33 1ubu n LEU 131 N -2.63 2.42 0.01 2.43 4.77 -0.93 -4.86 117.00 118.21 1ubu n LEU 131 Ca 0.00 0.01 -0.21 0.00 -0.03 0.00 0.00 56.01 55.78 1ubu n LEU 131 Cb 0.54 -0.52 -0.14 0.00 -2.33 0.00 0.00 43.42 40.97 1ubu n LEU 131 CO 0.39 0.63 -0.79 -0.74 -1.33 0.00 0.00 177.39 175.56 1ubu h HIS 132 N -0.18 0.50 0.00 -1.77 2.76 -0.43 -3.41 115.15 112.62 1ubu h HIS 132 Ca -0.36 -0.37 -0.03 0.00 -2.20 0.00 0.00 60.37 57.40 1ubu h HIS 132 Cb 1.48 -0.02 -0.00 0.00 1.55 0.00 0.00 27.41 30.41 1ubu h HIS 132 CO -0.00 1.78 -0.16 0.00 -1.30 0.00 0.00 177.93 178.24 1ubu h ALA 133 N 0.08 1.42 0.00 5.26 0.00 -0.85 -0.86 119.26 124.30 1ubu h ALA 133 Ca -0.42 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.35 1ubu h ALA 133 Cb 2.04 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.81 1ubu h ALA 133 CO 0.10 0.20 0.00 1.28 0.00 0.00 0.00 179.25 180.83 1ubu n LEU 134 N -3.89 0.00 0.07 0.00 4.77 -1.26 -0.38 117.00 116.31 1ubu n LEU 134 Ca -0.02 0.40 0.12 0.00 -0.03 0.00 0.00 56.01 56.48 1ubu n LEU 134 Cb 0.26 -0.40 0.46 0.00 -2.33 0.00 0.00 43.42 41.40 1ubu n LEU 134 CO 0.33 -0.24 0.86 0.47 -1.33 0.00 0.00 177.39 177.48 1ubu n ASP 135 N -1.40 0.43 0.00 -1.43 8.00 -0.33 -4.19 116.55 117.62 1ubu n ASP 135 Ca 0.04 0.57 0.00 0.00 0.71 0.00 0.00 54.79 56.11 1ubu n ASP 135 Cb 0.12 -0.67 0.00 0.00 -0.02 0.00 0.00 41.12 40.54 1ubu n ASP 135 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1ubu n PHE 136 N -1.93 0.00 -4.30 1.24 3.01 0.03 -4.95 117.46 110.56 1ubu n PHE 136 Ca 0.04 0.00 -0.34 0.00 1.01 0.00 0.00 57.45 58.16 1ubu n PHE 136 Cb 0.30 0.00 -0.12 0.00 -0.01 0.00 0.00 39.48 39.64 1ubu n PHE 136 CO 0.00 0.00 0.00 0.08 1.01 0.00 0.00 176.76 177.85 1ubu s VAL 137 N -0.67 3.83 -0.61 -4.37 1.01 0.49 -4.57 120.40 115.51 1ubu s VAL 137 Ca 0.00 -0.37 -0.20 0.00 0.00 0.00 0.00 61.98 61.41 1ubu s VAL 137 Cb 0.00 -2.69 0.10 0.00 0.00 0.00 0.00 36.38 33.78 1ubu s VAL 137 CO 0.00 0.47 0.77 -0.62 0.00 0.00 0.00 175.10 175.73 1ubu s ASP 138 N 0.61 6.18 0.25 3.32 -1.08 -1.26 -4.63 116.67 120.06 1ubu s ASP 138 Ca -0.02 -1.33 -0.03 0.00 -0.52 0.00 0.00 52.55 50.65 1ubu s ASP 138 Cb -0.14 -2.33 0.29 0.00 -1.46 0.00 0.00 42.92 39.27 1ubu s ASP 138 CO 0.02 -1.20 1.73 0.58 0.52 0.00 0.00 175.17 176.82 1ubu h VAL 139 N 5.94 1.25 0.00 1.11 2.07 -1.96 -2.70 116.25 121.96 1ubu h VAL 139 Ca -0.29 -1.07 -0.07 0.00 0.82 0.00 0.00 66.70 66.08 1ubu h VAL 139 Cb 1.08 0.93 -0.01 0.00 -1.52 0.00 0.00 31.29 31.77 1ubu h VAL 139 CO 1.12 0.37 -0.36 0.71 0.02 0.00 0.00 177.57 179.44 1ubu h THR 140 N 0.75 0.94 0.00 2.57 1.35 -1.96 -2.34 112.91 114.22 1ubu h THR 140 Ca 0.14 -1.39 -0.01 0.00 -0.55 0.00 0.00 66.41 64.60 1ubu h THR 140 Cb 0.51 1.83 -0.00 0.00 -1.73 0.00 0.00 68.15 68.75 1ubu h THR 140 CO 0.03 0.35 -0.05 0.00 -0.25 0.00 0.00 175.52 175.60 1ubu h ALA 141 N 1.64 1.05 -0.12 6.62 0.00 -1.87 -1.97 119.26 124.61 1ubu h ALA 141 Ca -0.00 -0.05 0.04 0.00 0.00 0.00 0.00 54.91 54.90 1ubu h ALA 141 Cb 0.80 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.58 1ubu h ALA 141 CO 0.05 0.06 0.14 0.00 0.00 0.00 0.00 179.25 179.50 1ubu h ALA 142 N 1.95 1.72 0.00 0.00 0.00 -1.42 -1.39 119.26 120.12 1ubu h ALA 142 Ca -0.00 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1ubu h ALA 142 Cb 0.42 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.21 1ubu h ALA 142 CO 0.01 -0.20 -0.11 -0.07 0.00 0.00 0.00 179.25 178.87 1ubu h LEU 143 N 0.00 0.00 -1.17 0.00 4.07 -1.49 -2.34 115.31 114.38 1ubu h LEU 143 Ca 0.06 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.02 1ubu h LEU 143 Cb 0.33 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.07 1ubu h LEU 143 CO -0.00 0.11 -0.02 2.29 -1.08 0.00 0.00 178.44 179.74 1ubu n LYS 144 N -3.80 1.77 -1.66 1.13 2.85 -0.52 -4.96 118.16 112.96 1ubu n LYS 144 Ca -0.02 -1.17 -0.33 0.00 -1.05 0.00 0.00 58.31 55.74 1ubu n LYS 144 Cb 0.21 -1.48 0.06 0.00 -0.65 0.00 0.00 35.03 33.17 1ubu n LYS 144 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1ubu s ALA 145 N -2.03 2.42 -0.44 0.58 0.00 -0.88 -4.97 121.76 116.43 1ubu s ALA 145 Ca 0.35 0.52 -0.22 0.00 0.00 0.00 0.00 51.96 52.61 1ubu s ALA 145 Cb 0.21 -3.32 0.02 0.00 0.00 0.00 0.00 23.12 20.03 1ubu s ALA 145 CO 0.34 -1.38 0.73 0.34 0.00 0.00 0.00 175.76 175.79 1ubu s ASP 146 N -2.67 6.38 0.44 0.00 -1.08 -1.26 -4.95 116.67 113.53 1ubu s ASP 146 Ca 0.66 -0.19 0.15 0.00 -0.52 0.00 0.00 52.55 52.65 1ubu s ASP 146 Cb -0.20 -2.36 0.99 0.00 -1.46 0.00 0.00 42.92 39.89 1ubu s ASP 146 CO 0.44 -0.85 1.97 1.55 0.52 0.00 0.00 175.17 178.80 1ubu h PRO 147 N 8.92 0.00 -0.39 4.34 0.13 -1.94 0.30 132.00 143.37 1ubu h PRO 147 Ca -0.25 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.78 1ubu h PRO 147 Cb 1.09 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.21 1ubu h PRO 147 CO 0.93 0.21 -0.17 0.00 -0.23 0.00 0.00 178.00 178.74 1ubu h ALA 148 N 1.79 0.54 -0.52 -0.56 0.00 -1.92 0.15 119.26 118.74 1ubu h ALA 148 Ca -0.00 -0.35 -0.05 0.00 0.00 0.00 0.00 54.91 54.51 1ubu h ALA 148 Cb 0.38 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 1ubu h ALA 148 CO 0.03 0.47 0.14 -0.22 0.00 0.00 0.00 179.25 179.66 1ubu h LYS 149 N 0.60 0.82 -0.85 0.00 3.64 -1.84 -2.40 116.57 116.55 1ubu h LYS 149 Ca 0.09 -0.19 -0.03 0.00 -1.27 0.00 0.00 60.65 59.25 1ubu h LYS 149 Cb 0.71 -0.11 -0.04 0.00 -0.41 0.00 0.00 32.23 32.38 1ubu h LYS 149 CO 0.05 0.78 0.42 0.00 -2.27 0.00 0.00 179.45 178.44 1ubu h ALA 150 N 1.01 1.09 -0.61 5.00 0.00 -0.83 -1.07 119.26 123.85 1ubu h ALA 150 Ca 0.16 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 1ubu h ALA 150 Cb 0.32 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 1ubu h ALA 150 CO -0.00 0.64 0.19 0.00 0.00 0.00 0.00 179.25 180.07 1ubu h ALA 151 N 1.23 1.19 -0.53 0.00 0.00 -0.74 -0.23 119.26 120.17 1ubu h ALA 151 Ca 0.29 -0.20 -0.09 0.00 0.00 0.00 0.00 54.91 54.92 1ubu h ALA 151 Cb 0.09 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 1ubu h ALA 151 CO -0.04 0.57 -0.01 0.87 0.00 0.00 0.00 179.25 180.63 1ubu h LYS 152 N 0.89 0.95 -0.17 0.00 1.57 -0.92 0.34 116.57 119.23 1ubu h LYS 152 Ca 0.20 -0.31 -0.01 0.00 -1.87 0.00 0.00 60.65 58.66 1ubu h LYS 152 Cb 0.26 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.48 1ubu h LYS 152 CO -0.01 0.97 0.08 0.28 -0.57 0.00 0.00 179.45 180.20 1ubu h VAL 153 N 0.82 1.14 -0.67 0.50 2.07 -0.81 -2.10 116.25 117.19 1ubu h VAL 153 Ca 0.15 -0.40 0.02 0.00 0.82 0.00 0.00 66.70 67.29 1ubu h VAL 153 Cb 0.55 1.09 -0.03 0.00 -1.52 0.00 0.00 31.29 31.38 1ubu h VAL 153 CO 0.03 0.13 0.45 0.00 0.02 0.00 0.00 177.57 178.19 1ubu h ALA 154 N 0.94 1.55 0.00 1.67 0.00 -0.85 -1.85 119.26 120.71 1ubu h ALA 154 Ca 0.06 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1ubu h ALA 154 Cb 0.13 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.67 1ubu h ALA 154 CO -0.01 0.40 0.00 0.77 0.00 0.00 0.00 179.25 180.42 1ubu h SER 155 N 0.88 0.00 1.39 0.00 0.02 -0.79 -3.15 113.55 111.90 1ubu h SER 155 Ca 0.25 0.00 -0.09 0.00 -0.84 0.00 0.00 61.79 61.11 1ubu h SER 155 Cb -0.05 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.47 1ubu h SER 155 CO -0.06 0.00 -0.63 0.77 -1.14 0.00 0.00 176.83 175.77 1ubu h SER 156 N 0.00 0.00 0.03 3.07 4.64 -0.63 -3.34 113.55 117.32 1ubu h SER 156 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1ubu h SER 156 Cb 0.69 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.78 1ubu h SER 156 CO 0.00 0.41 -0.57 2.30 -0.87 0.00 0.00 176.83 178.10 1ubu n ILE 157 N -3.11 0.00 -3.89 0.95 -5.35 -1.10 -4.96 119.36 101.90 1ubu n ILE 157 Ca 0.00 -0.18 -0.11 0.00 -0.27 0.00 0.00 62.75 62.19 1ubu n ILE 157 Cb 0.71 1.09 -0.11 0.00 -1.74 0.00 0.00 39.64 39.59 1ubu n ILE 157 CO 0.00 0.00 0.00 -0.55 -1.76 0.00 0.00 176.55 174.24 1ubu s SER 158 N -2.61 0.05 0.54 7.28 0.15 -1.21 -4.75 113.70 113.15 1ubu s SER 158 Ca 0.17 -0.21 0.31 0.00 0.70 0.00 0.00 55.95 56.92 1ubu s SER 158 Cb 0.18 0.19 1.52 0.00 -1.71 0.00 0.00 66.02 66.20 1ubu s SER 158 CO 0.64 -0.31 2.07 1.55 1.20 0.00 0.00 173.24 178.39 1ubu h PRO 159 N 4.60 0.00 -6.56 5.44 0.13 -1.85 -3.43 132.00 130.33 1ubu h PRO 159 Ca -0.30 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 64.30 1ubu h PRO 159 Cb 1.20 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.34 1ubu h PRO 159 CO 0.41 0.09 0.58 0.50 -0.23 0.00 0.00 178.00 179.34 1ubu s ARG 160 N -4.01 4.45 -0.17 0.86 3.52 -1.26 -4.99 118.95 117.35 1ubu s ARG 160 Ca -0.02 1.84 -0.27 0.00 -0.13 0.00 0.00 55.73 57.15 1ubu s ARG 160 Cb 0.12 -3.29 -0.01 0.00 -1.56 0.00 0.00 34.95 30.20 1ubu s ARG 160 CO 0.55 -0.21 0.92 0.15 -0.81 0.00 0.00 175.30 175.90 1ubu s LYS 161 N 0.56 4.32 -0.10 5.12 -0.14 -1.26 -4.54 119.74 123.69 1ubu s LYS 161 Ca 0.57 1.18 0.03 0.00 -1.36 0.00 0.00 55.97 56.39 1ubu s LYS 161 Cb -0.31 -3.58 -0.01 0.00 -1.68 0.00 0.00 37.83 32.25 1ubu s LYS 161 CO 0.32 -0.39 -0.21 0.99 -0.76 0.00 0.00 175.35 175.30 1ubu s THR 162 N 2.34 2.35 0.35 2.17 2.01 -1.26 -5.05 115.64 118.56 1ubu s THR 162 Ca 0.42 -0.92 0.08 0.00 0.31 0.00 0.00 61.69 61.57 1ubu s THR 162 Cb -0.17 -1.92 -0.03 0.00 0.01 0.00 0.00 72.50 70.40 1ubu s THR 162 CO 0.12 0.55 0.29 0.42 -0.69 0.00 0.00 174.62 175.31 1ubu s THR 163 N 0.24 3.25 0.27 -0.82 -4.23 -1.26 -4.62 115.64 108.47 1ubu s THR 163 Ca -0.14 -1.42 -0.01 0.00 -1.18 0.00 0.00 61.69 58.94 1ubu s THR 163 Cb -0.17 -3.11 0.27 0.00 1.34 0.00 0.00 72.50 70.83 1ubu s THR 163 CO 0.07 -0.14 1.85 0.00 -0.54 0.00 0.00 174.62 175.87 1ubu h ALA 164 N 1.25 1.41 -0.26 3.99 0.00 -1.87 -1.28 119.26 122.49 1ubu h ALA 164 Ca -0.44 0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.36 1ubu h ALA 164 Cb 1.26 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.79 1ubu h ALA 164 CO 0.59 0.31 -0.31 0.00 0.00 0.00 0.00 179.25 179.84 1ubu h ALA 165 N 1.49 0.98 -0.53 0.00 0.00 -1.95 0.54 119.26 119.78 1ubu h ALA 165 Ca 0.45 -0.38 0.07 0.00 0.00 0.00 0.00 54.91 55.05 1ubu h ALA 165 Cb 0.32 -0.12 -0.06 0.00 0.00 0.00 0.00 17.79 17.93 1ubu h ALA 165 CO -0.22 0.60 0.21 -0.44 0.00 0.00 0.00 179.25 179.41 1ubu h ASP 166 N 0.46 0.25 1.30 0.00 3.32 -1.65 -1.70 116.42 118.40 1ubu h ASP 166 Ca 0.06 0.06 -0.10 0.00 0.02 0.00 0.00 57.03 57.07 1ubu h ASP 166 Cb 0.76 0.02 -0.02 0.00 0.22 0.00 0.00 39.33 40.32 1ubu h ASP 166 CO 0.06 0.17 -0.73 -0.07 -1.72 0.00 0.00 179.24 176.95 1ubu h LEU 167 N 0.41 0.00 -0.90 1.55 3.38 -0.89 -3.03 115.31 115.83 1ubu h LEU 167 Ca 0.25 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.15 1ubu h LEU 167 Cb 0.25 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.98 1ubu h LEU 167 CO -0.24 0.41 -0.00 0.50 0.09 0.00 0.00 178.44 179.20 1ubu h LYS 168 N 0.00 0.80 -0.77 1.13 3.64 -0.54 -0.19 116.57 120.65 1ubu h LYS 168 Ca -0.04 -0.22 0.00 0.00 -1.27 0.00 0.00 60.65 59.12 1ubu h LYS 168 Cb 1.35 -0.09 -0.04 0.00 -0.41 0.00 0.00 32.23 33.04 1ubu h LYS 168 CO 0.05 0.81 0.49 0.00 -2.27 0.00 0.00 179.45 178.52 1ubu h ALA 169 N 1.25 1.42 -0.32 5.00 0.00 -1.20 0.59 119.26 126.00 1ubu h ALA 169 Ca 0.15 -0.07 -0.11 0.00 0.00 0.00 0.00 54.91 54.88 1ubu h ALA 169 Cb 0.46 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1ubu h ALA 169 CO 0.02 0.52 -0.23 0.28 0.00 0.00 0.00 179.25 179.85 1ubu h VAL 170 N 1.05 1.29 -0.70 0.00 2.07 -1.33 -2.18 116.25 116.45 1ubu h VAL 170 Ca 0.28 -1.37 0.02 0.00 0.82 0.00 0.00 66.70 66.45 1ubu h VAL 170 Cb -0.09 1.47 -0.04 0.00 -1.52 0.00 0.00 31.29 31.11 1ubu h VAL 170 CO -0.06 0.44 0.45 -0.61 0.02 0.00 0.00 177.57 177.82 1ubu h GLN 171 N 0.49 0.87 -0.61 1.57 4.15 -0.23 -0.13 115.11 121.22 1ubu h GLN 171 Ca 0.06 -0.05 -0.02 0.00 0.77 0.00 0.00 58.65 59.41 1ubu h GLN 171 Cb 0.78 -0.20 -0.03 0.00 0.21 0.00 0.00 27.48 28.25 1ubu h GLN 171 CO 0.06 0.57 0.29 -0.44 -1.93 0.00 0.00 178.83 177.39 1ubu h ASP 172 N 0.89 0.80 -0.69 -0.69 3.45 0.24 0.13 116.42 120.55 1ubu h ASP 172 Ca 0.27 -0.13 -0.07 0.00 0.43 0.00 0.00 57.03 57.53 1ubu h ASP 172 Cb -0.03 -0.21 -0.03 0.00 -0.56 0.00 0.00 39.33 38.51 1ubu h ASP 172 CO -0.09 0.71 0.14 0.50 -1.57 0.00 0.00 179.24 178.93 1ubu h LYS 173 N 0.84 1.12 -0.32 3.56 1.63 -0.93 -1.79 116.57 120.67 1ubu h LYS 173 Ca 0.21 -0.29 -0.13 0.00 -0.85 0.00 0.00 60.65 59.59 1ubu h LYS 173 Cb 0.12 -0.14 -0.01 0.00 -0.60 0.00 0.00 32.23 31.61 1ubu h LYS 173 CO -0.03 1.01 -0.34 1.25 -3.45 0.00 0.00 179.45 177.89 1ubu h LEU 174 N 1.05 0.76 -0.28 5.20 6.46 -0.60 -2.38 115.31 125.52 1ubu h LEU 174 Ca 0.21 -0.32 0.00 0.00 -0.12 0.00 0.00 57.88 57.65 1ubu h LEU 174 Cb 0.41 -0.21 -0.01 0.00 -0.73 0.00 0.00 40.66 40.12 1ubu h LEU 174 CO 0.01 1.03 0.17 0.50 -0.62 0.00 0.00 178.44 179.53 1ubu h LYS 175 N 0.60 0.37 -0.69 1.25 3.64 -0.37 0.60 116.57 121.98 1ubu h LYS 175 Ca 0.06 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.40 1ubu h LYS 175 Cb 0.87 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 32.58 1ubu h LYS 175 CO 0.08 0.27 0.39 1.15 -2.27 0.00 0.00 179.45 179.08 1ubu h THR 176 N 0.36 1.20 0.29 1.00 2.02 -1.16 -0.25 112.91 116.37 1ubu h THR 176 Ca 0.10 -0.48 -0.01 0.00 0.77 0.00 0.00 66.41 66.79 1ubu h THR 176 Cb -0.01 0.25 0.00 0.00 -1.74 0.00 0.00 68.15 66.66 1ubu h THR 176 CO -0.02 0.22 -0.14 0.15 0.37 0.00 0.00 175.52 176.10 1ubu h PHE 177 N 0.96 -0.36 -0.48 3.16 3.04 -0.91 -2.77 116.94 119.58 1ubu h PHE 177 Ca 0.25 -0.01 -0.12 0.00 3.98 0.00 0.00 57.97 62.07 1ubu h PHE 177 Cb -0.00 0.12 -0.02 0.00 2.56 0.00 0.00 35.95 38.61 1ubu h PHE 177 CO 0.00 -0.14 -0.18 0.28 -2.02 0.00 0.00 178.31 176.26 1ubu h VAL 178 N -0.52 1.27 0.00 1.41 2.07 -0.71 -2.34 116.25 117.43 1ubu h VAL 178 Ca -0.04 -1.32 0.00 0.00 0.82 0.00 0.00 66.70 66.16 1ubu h VAL 178 Cb 0.39 1.09 0.00 0.00 -1.52 0.00 0.00 31.29 31.25 1ubu h VAL 178 CO 0.07 0.46 0.00 -0.33 0.02 0.00 0.00 177.57 177.78 1ubu h GLU 179 N 0.82 0.00 0.00 1.57 5.08 -1.03 0.37 114.58 121.39 1ubu h GLU 179 Ca 0.12 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 1ubu h GLU 179 Cb 0.73 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.98 1ubu h GLU 179 CO 0.06 0.00 0.00 0.25 -1.00 0.00 0.00 179.01 178.32 1ubu n THR 180 N -3.08 0.48 -0.01 1.13 -2.24 -0.88 -4.87 114.28 104.81 1ubu n THR 180 Ca -0.02 0.08 0.00 0.00 -2.27 0.00 0.00 64.05 61.84 1ubu n THR 180 Cb 0.11 -0.74 0.00 0.00 -2.10 0.00 0.00 70.33 67.60 1ubu n THR 180 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ubu n GLY 181 N 0.83 2.59 3.36 3.38 0.00 0.12 -4.96 105.19 110.51 1ubu n GLY 181 Ca 0.05 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.61 1ubu n GLY 181 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1ubu s GLN 182 N -0.13 3.80 0.03 1.61 -0.21 -1.26 -4.89 119.66 118.61 1ubu s GLN 182 Ca 0.00 -2.56 0.24 0.00 0.02 0.00 0.00 55.36 53.06 1ubu s GLN 182 Cb 0.00 -4.59 1.00 0.00 1.00 0.00 0.00 33.01 30.42 1ubu s GLN 182 CO 0.00 -1.39 1.76 1.28 -2.12 0.00 0.00 175.29 174.82 1ubu n LEU 183 N 4.18 0.09 0.00 2.90 7.99 -1.26 -4.85 117.00 126.05 1ubu n LEU 183 Ca 0.20 0.51 0.00 0.00 -0.01 0.00 0.00 56.01 56.71 1ubu n LEU 183 Cb 0.45 -0.49 0.00 0.00 -0.11 0.00 0.00 43.42 43.27 1ubu n LEU 183 CO 0.42 -0.12 0.00 0.61 -1.51 0.00 0.00 177.39 176.79 1ubu n GLY 184 N 0.95 3.72 0.00 -0.72 0.00 -1.26 -0.38 105.19 107.50 1ubu n GLY 184 Ca 0.06 0.05 0.05 0.00 0.00 0.00 0.00 46.02 46.18 1ubu n GLY 184 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1ubu n PRO 185 N 14.00 0.07 -0.12 1.61 -0.05 -1.26 -1.24 135.00 148.01 1ubu n PRO 185 Ca 0.00 0.26 0.12 0.00 -0.05 0.00 0.00 63.50 63.83 1ubu n PRO 185 Cb 0.00 -1.50 0.21 0.00 -0.05 0.00 0.00 33.50 32.16 1ubu n PRO 185 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 175.50 176.64 1ubu n PHE 186 N -1.41 0.32 -1.68 0.54 3.72 0.48 -4.90 117.46 114.54 1ubu n PHE 186 Ca 0.04 -0.16 -0.45 0.00 -0.05 0.00 0.00 57.45 56.83 1ubu n PHE 186 Cb 0.11 0.00 -0.04 0.00 -0.94 0.00 0.00 39.48 38.61 1ubu n PHE 186 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 176.76 179.12 1ubu n THR 187 N 1.32 0.08 -2.11 4.37 -1.04 -0.37 -1.68 114.28 114.84 1ubu n THR 187 Ca 0.18 -0.01 -0.20 0.00 -2.04 0.00 0.00 64.05 61.97 1ubu n THR 187 Cb 0.58 -1.70 -0.04 0.00 -1.82 0.00 0.00 70.33 67.35 1ubu n THR 187 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 1ubu n ASN 188 N 3.95 -5.58 -4.69 8.00 5.03 -1.26 -4.94 115.26 115.77 1ubu n ASN 188 Ca 0.17 0.18 -0.37 0.00 0.87 0.00 0.00 54.58 55.43 1ubu n ASN 188 Cb 0.31 -4.75 0.07 0.00 -1.02 0.00 0.00 39.78 34.38 1ubu n ASN 188 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1ubu n ALA 189 N -0.85 0.77 0.30 5.41 0.00 -0.67 -4.86 120.51 120.60 1ubu n ALA 189 Ca -0.23 -0.02 0.18 0.00 0.00 0.00 0.00 53.44 53.37 1ubu n ALA 189 Cb 0.67 -2.25 0.90 0.00 0.00 0.00 0.00 19.45 18.77 1ubu n ALA 189 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.50 179.38 1ubu h TYR 190 N 0.41 0.00 0.00 0.00 0.99 -1.92 -1.73 116.97 114.72 1ubu h TYR 190 Ca -0.50 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.23 1ubu h TYR 190 Cb 1.35 0.00 0.00 0.00 1.00 0.00 0.00 36.73 39.08 1ubu h TYR 190 CO 0.40 0.04 -0.38 1.97 -0.00 0.00 0.00 178.16 180.19 1ubu n PHE 191 N -3.26 0.18 -1.71 4.88 1.16 -1.26 -4.66 117.46 112.78 1ubu n PHE 191 Ca -0.01 0.05 -0.43 0.00 -1.87 0.00 0.00 57.45 55.19 1ubu n PHE 191 Cb 0.20 -0.44 -0.03 0.00 -1.61 0.00 0.00 39.48 37.60 1ubu n PHE 191 CO 0.00 0.00 0.00 1.28 -1.87 0.00 0.00 176.76 176.17 1ubu n LEU 192 N -1.68 3.85 0.00 5.98 4.77 -0.65 -0.55 117.00 128.71 1ubu n LEU 192 Ca 0.05 1.07 0.00 0.00 -0.03 0.00 0.00 56.01 57.10 1ubu n LEU 192 Cb 0.36 -1.55 0.00 0.00 -2.33 0.00 0.00 43.42 39.91 1ubu n LEU 192 CO 0.33 0.10 0.00 0.61 -1.33 0.00 0.00 177.39 177.10 1ubu n GLY 193 N 3.80 1.41 0.00 -0.72 0.00 -1.26 -4.79 105.19 103.63 1ubu n GLY 193 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 1ubu n GLY 193 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ubu n GLY 194 N -2.00 1.19 3.49 -0.02 0.00 0.28 -5.10 105.19 103.04 1ubu n GLY 194 Ca 0.00 -1.70 -0.08 0.00 0.00 0.00 0.00 46.02 44.24 1ubu n GLY 194 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1ubu s HIS 195 N -2.61 -0.90 0.17 1.61 5.04 -1.26 -4.83 115.29 112.51 1ubu s HIS 195 Ca 0.00 1.82 0.34 0.00 -1.54 0.00 0.00 55.06 55.67 1ubu s HIS 195 Cb 0.00 0.50 1.69 0.00 0.04 0.00 0.00 32.58 34.81 1ubu s HIS 195 CO 0.00 -0.46 2.02 -1.00 -2.34 0.00 0.00 174.74 172.95 1ubu h PRO 196 N 7.11 0.00 -0.20 2.88 0.13 -1.98 -1.71 132.00 138.23 1ubu h PRO 196 Ca -0.32 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.81 1ubu h PRO 196 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1ubu h PRO 196 CO 0.21 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 177.98 1ubu n ALA 197 N -1.96 2.47 -2.63 -0.56 0.00 -1.26 -4.80 120.51 111.77 1ubu n ALA 197 Ca -0.01 -0.73 -0.38 0.00 0.00 0.00 0.00 53.44 52.32 1ubu n ALA 197 Cb 0.13 -0.95 -0.09 0.00 0.00 0.00 0.00 19.45 18.54 1ubu n ALA 197 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 1ubu s TYR 198 N -1.76 3.28 -0.23 0.00 1.51 -0.64 -4.98 117.35 114.54 1ubu s TYR 198 Ca 0.34 0.33 0.07 0.00 -1.01 0.00 0.00 57.07 56.80 1ubu s TYR 198 Cb 0.21 -2.43 -0.09 0.00 -0.11 0.00 0.00 41.96 39.54 1ubu s TYR 198 CO 0.30 -0.09 0.25 0.66 -1.11 0.00 0.00 175.55 175.57 1ubu n TYR 199 N 4.81 0.00 -2.31 2.71 4.01 -1.26 -4.84 117.16 120.28 1ubu n TYR 199 Ca -0.12 0.00 -0.35 0.00 -0.16 0.00 0.00 57.90 57.27 1ubu n TYR 199 Cb 0.51 -0.05 -0.00 0.00 -0.31 0.00 0.00 39.34 39.49 1ubu n TYR 199 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 1ubu s LEU 200 N -2.72 3.78 0.74 7.72 1.02 -1.26 -5.02 118.68 122.93 1ubu s LEU 200 Ca 0.01 2.14 -0.11 0.00 0.02 0.00 0.00 54.13 56.19 1ubu s LEU 200 Cb 0.05 -4.56 0.04 0.00 0.02 0.00 0.00 46.19 41.74 1ubu s LEU 200 CO 0.29 -1.13 1.12 1.51 0.02 0.00 0.00 176.35 178.16 1ubu s ASP 201 N -1.79 5.10 0.27 2.29 1.47 -1.26 -4.85 116.67 117.90 1ubu s ASP 201 Ca 0.71 0.97 -0.01 0.00 1.18 0.00 0.00 52.55 55.40 1ubu s ASP 201 Cb -0.23 -1.66 0.47 0.00 -0.34 0.00 0.00 42.92 41.16 1ubu s ASP 201 CO 0.26 -1.54 1.87 -0.65 0.68 0.00 0.00 175.17 175.79 1ubu h PRO 202 N -0.78 1.07 -0.26 2.11 0.11 -1.94 -1.88 132.00 130.43 1ubu h PRO 202 Ca -0.45 -0.06 -0.10 0.00 0.11 0.00 0.00 66.00 65.49 1ubu h PRO 202 Cb 1.28 -0.24 -0.00 0.00 0.11 0.00 0.00 31.00 32.15 1ubu h PRO 202 CO 0.64 0.71 -0.23 0.93 -0.21 0.00 0.00 178.00 179.85 1ubu h GLU 203 N 1.11 0.62 -0.42 1.05 3.07 -1.90 -0.15 114.58 117.95 1ubu h GLU 203 Ca 0.46 -0.31 -0.04 0.00 -0.50 0.00 0.00 59.36 58.96 1ubu h GLU 203 Cb 0.29 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.18 1ubu h GLU 203 CO -0.21 0.91 0.09 1.15 -1.40 0.00 0.00 179.01 179.55 1ubu h THR 204 N 0.35 1.19 -0.72 1.13 2.02 -1.89 -0.60 112.91 114.38 1ubu h THR 204 Ca 0.05 -0.71 -0.04 0.00 0.77 0.00 0.00 66.41 66.48 1ubu h THR 204 Cb 0.78 0.78 -0.03 0.00 -1.74 0.00 0.00 68.15 67.93 1ubu h THR 204 CO 0.06 0.26 0.29 0.78 0.37 0.00 0.00 175.52 177.28 1ubu h ASN 205 N 0.62 0.98 -0.38 4.18 -0.26 -0.99 -1.03 115.58 118.70 1ubu h ASN 205 Ca 0.14 -0.14 -0.06 0.00 -0.56 0.00 0.00 56.30 55.68 1ubu h ASN 205 Cb 0.25 -0.25 -0.01 0.00 -1.06 0.00 0.00 38.32 37.25 1ubu h ASN 205 CO -0.00 0.86 -0.02 0.25 -1.06 0.00 0.00 177.43 177.47 1ubu h LEU 206 N 1.04 0.67 -0.45 1.61 5.85 -0.45 -0.34 115.31 123.24 1ubu h LEU 206 Ca 0.24 -0.32 -0.00 0.00 0.84 0.00 0.00 57.88 58.64 1ubu h LEU 206 Cb 0.19 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.02 1ubu h LEU 206 CO -0.02 0.83 0.27 0.40 -0.34 0.00 0.00 178.44 179.58 1ubu h ILE 207 N 0.49 1.14 -0.54 4.05 2.04 -0.87 0.45 117.51 124.27 1ubu h ILE 207 Ca 0.10 -0.30 -0.06 0.00 1.00 0.00 0.00 64.86 65.61 1ubu h ILE 207 Cb 0.49 0.53 -0.02 0.00 -0.74 0.00 0.00 36.82 37.08 1ubu h ILE 207 CO 0.02 0.14 0.09 0.00 0.00 0.00 0.00 178.15 178.40 1ubu h ALA 208 N 1.13 1.16 -0.32 1.87 0.00 -1.09 -1.63 119.26 120.38 1ubu h ALA 208 Ca 0.16 -0.23 -0.09 0.00 0.00 0.00 0.00 54.91 54.76 1ubu h ALA 208 Cb -0.02 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 1ubu h ALA 208 CO -0.03 0.56 -0.15 1.15 0.00 0.00 0.00 179.25 180.78 1ubu h THR 209 N 0.80 1.29 -0.73 0.00 2.02 -0.71 0.19 112.91 115.77 1ubu h THR 209 Ca 0.17 -1.25 0.12 0.00 0.77 0.00 0.00 66.41 66.22 1ubu h THR 209 Cb 0.35 1.42 -0.08 0.00 -1.74 0.00 0.00 68.15 68.09 1ubu h THR 209 CO 0.01 0.40 0.32 0.00 0.37 0.00 0.00 175.52 176.62 1ubu h ALA 210 N 0.77 1.02 0.00 6.16 0.00 -0.68 -1.28 119.26 125.25 1ubu h ALA 210 Ca 0.07 0.09 -0.15 0.00 0.00 0.00 0.00 54.91 54.92 1ubu h ALA 210 Cb 0.68 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.48 1ubu h ALA 210 CO 0.05 -0.15 -0.72 0.45 0.00 0.00 0.00 179.25 178.88 1ubu h HIS 211 N 0.50 0.00 -0.13 0.00 3.86 -0.99 0.71 115.15 119.11 1ubu h HIS 211 Ca 0.39 0.00 0.03 0.00 -1.16 0.00 0.00 60.37 59.63 1ubu h HIS 211 Cb 0.52 0.00 -0.04 0.00 1.06 0.00 0.00 27.41 28.95 1ubu h HIS 211 CO -0.14 0.72 -0.09 -0.92 0.86 0.00 0.00 177.93 178.35 1ubu h TYR 212 N 0.00 -0.22 -0.36 2.45 3.20 -0.20 0.11 116.97 121.95 1ubu h TYR 212 Ca -0.01 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.86 1ubu h TYR 212 Cb 1.46 0.12 -0.02 0.00 1.54 0.00 0.00 36.73 39.83 1ubu h TYR 212 CO 0.00 -0.14 0.14 -0.07 -1.64 0.00 0.00 178.16 176.44 1ubu h LEU 213 N -0.10 0.50 -0.85 2.82 4.07 -0.95 -2.27 115.31 118.54 1ubu h LEU 213 Ca 0.08 -0.18 0.05 0.00 0.08 0.00 0.00 57.88 57.92 1ubu h LEU 213 Cb 0.22 -0.13 -0.06 0.00 1.08 0.00 0.00 40.66 41.77 1ubu h LEU 213 CO -0.19 0.54 0.53 -0.08 -1.08 0.00 0.00 178.44 178.16 1ubu h GLU 214 N 0.43 0.96 0.00 1.13 4.81 -0.62 -1.73 114.58 119.56 1ubu h GLU 214 Ca 0.12 -0.06 -0.03 0.00 -0.13 0.00 0.00 59.36 59.26 1ubu h GLU 214 Cb 0.20 -0.22 -0.00 0.00 0.63 0.00 0.00 28.75 29.36 1ubu h GLU 214 CO -0.01 0.64 -0.16 0.00 -0.73 0.00 0.00 179.01 178.75 1ubu h ALA 215 N 1.38 1.46 -0.58 2.92 0.00 -0.45 -0.40 119.26 123.59 1ubu h ALA 215 Ca 0.36 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 55.10 1ubu h ALA 215 Cb 0.11 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 1ubu h ALA 215 CO -0.15 0.20 0.28 -0.07 0.00 0.00 0.00 179.25 179.50 1ubu h LEU 216 N 0.00 0.74 0.11 0.00 3.38 -0.73 -0.82 115.31 117.98 1ubu h LEU 216 Ca -0.00 -0.07 -0.31 0.00 0.09 0.00 0.00 57.88 57.59 1ubu h LEU 216 Cb 0.35 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 1ubu h LEU 216 CO 0.02 0.63 -1.59 0.03 0.09 0.00 0.00 178.44 177.63 1ubu h ARG 217 N 0.82 0.23 -0.79 1.13 3.08 -1.31 -3.35 114.38 114.19 1ubu h ARG 217 Ca 0.20 -0.39 0.01 0.00 0.07 0.00 0.00 59.98 59.88 1ubu h ARG 217 Cb 0.09 0.14 -0.04 0.00 0.08 0.00 0.00 29.97 30.25 1ubu h ARG 217 CO -0.03 1.07 0.52 1.25 -1.07 0.00 0.00 179.97 181.71 1ubu h LEU 218 N 0.06 0.89 -2.01 3.04 5.85 -0.91 -1.75 115.31 120.48 1ubu h LEU 218 Ca -0.26 -0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.42 1ubu h LEU 218 Cb 2.01 -0.22 -0.00 0.00 0.37 0.00 0.00 40.66 42.82 1ubu h LEU 218 CO 0.15 0.64 -0.10 0.06 -0.34 0.00 0.00 178.44 178.84 1ubu h GLN 219 N 1.05 0.00 -0.72 1.25 -0.00 -1.28 0.11 115.11 115.51 1ubu h GLN 219 Ca 0.29 0.00 0.04 0.00 -0.00 0.00 0.00 58.65 58.99 1ubu h GLN 219 Cb -0.09 0.00 -0.05 0.00 -0.00 0.00 0.00 27.48 27.34 1ubu h GLN 219 CO -0.07 0.10 0.44 0.28 -0.00 0.00 0.00 178.83 179.58 1ubu h VAL 220 N 0.00 1.06 -0.42 1.86 2.07 -1.45 -0.74 116.25 118.63 1ubu h VAL 220 Ca -0.00 -0.29 -0.13 0.00 0.82 0.00 0.00 66.70 67.10 1ubu h VAL 220 Cb 0.28 0.14 -0.01 0.00 -1.52 0.00 0.00 31.29 30.18 1ubu h VAL 220 CO 0.01 0.15 -0.27 0.11 0.02 0.00 0.00 177.57 177.60 1ubu h LYS 221 N 0.84 0.89 -0.65 1.57 1.57 -1.06 -0.57 116.57 119.15 1ubu h LYS 221 Ca 0.30 -0.40 -0.05 0.00 -1.87 0.00 0.00 60.65 58.64 1ubu h LYS 221 Cb 0.08 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.34 1ubu h LYS 221 CO -0.14 1.05 0.20 0.00 -0.57 0.00 0.00 179.45 179.99 1ubu h ALA 222 N 0.93 1.13 -0.13 3.86 0.00 -1.02 -1.99 119.26 122.05 1ubu h ALA 222 Ca 0.09 -0.20 -0.18 0.00 0.00 0.00 0.00 54.91 54.61 1ubu h ALA 222 Cb 0.82 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.35 1ubu h ALA 222 CO 0.07 0.60 -0.68 0.00 0.00 0.00 0.00 179.25 179.24 1ubu h ALA 223 N 1.26 0.58 -0.49 0.00 0.00 -1.03 -3.07 119.26 116.50 1ubu h ALA 223 Ca 0.21 -0.58 0.03 0.00 0.00 0.00 0.00 54.91 54.58 1ubu h ALA 223 Cb 0.27 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 1ubu h ALA 223 CO -0.01 0.73 0.33 -0.09 0.00 0.00 0.00 179.25 180.20 1ubu h ARG 224 N 0.37 0.54 -0.88 0.00 2.43 -0.56 -0.82 114.38 115.46 1ubu h ARG 224 Ca -0.02 -0.03 0.09 0.00 -0.81 0.00 0.00 59.98 59.21 1ubu h ARG 224 Cb 1.25 -0.12 -0.06 0.00 -0.42 0.00 0.00 29.97 30.62 1ubu h ARG 224 CO 0.12 0.36 0.57 0.00 -1.51 0.00 0.00 179.97 179.51 1ubu h ALA 225 N 1.71 1.64 -0.32 2.80 0.00 -1.28 0.61 119.26 124.43 1ubu h ALA 225 Ca 0.20 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 55.04 1ubu h ALA 225 Cb 0.10 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 1ubu h ALA 225 CO -0.05 0.19 -0.08 0.52 0.00 0.00 0.00 179.25 179.83 1ubu h MET 226 N 0.88 0.52 0.00 0.00 2.86 -1.26 -3.05 114.93 114.88 1ubu h MET 226 Ca 0.40 -0.14 0.00 0.00 -2.06 0.00 0.00 59.70 57.91 1ubu h MET 226 Cb 0.39 -0.06 0.00 0.00 0.06 0.00 0.00 31.60 31.98 1ubu h MET 226 CO -0.17 0.61 0.00 0.00 1.06 0.00 0.00 176.91 178.41 1ubu h ALA 227 N 1.43 1.00 -0.30 6.32 0.00 -0.78 0.10 119.26 127.03 1ubu h ALA 227 Ca 0.10 0.00 0.05 0.00 0.00 0.00 0.00 54.91 55.06 1ubu h ALA 227 Cb 0.44 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.19 1ubu h ALA 227 CO 0.02 0.00 0.01 0.28 0.00 0.00 0.00 179.25 179.57 1ubu h VAL 228 N 0.00 0.79 0.00 0.00 2.07 -1.24 -1.91 116.25 115.96 1ubu h VAL 228 Ca 0.00 -0.04 -0.31 0.00 0.82 0.00 0.00 66.70 67.17 1ubu h VAL 228 Cb 0.86 0.68 -0.06 0.00 -1.52 0.00 0.00 31.29 31.25 1ubu h VAL 228 CO 0.00 0.02 -1.92 0.49 0.02 0.00 0.00 177.57 176.18 1ubu n PHE 229 N -5.15 0.67 -0.53 1.57 3.72 -1.22 -4.66 117.46 111.86 1ubu n PHE 229 Ca 0.00 0.24 0.08 0.00 -0.05 0.00 0.00 57.45 57.72 1ubu n PHE 229 Cb 0.15 -1.12 0.26 0.00 -0.94 0.00 0.00 39.48 37.84 1ubu n PHE 229 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1ubu n GLY 230 N 1.61 3.02 3.47 1.37 0.00 0.35 -4.78 105.19 110.24 1ubu n GLY 230 Ca -0.22 -0.72 0.00 0.00 0.00 0.00 0.00 46.02 45.08 1ubu n GLY 230 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ubu n ALA 231 N 0.59 0.00 -3.56 4.61 0.00 -0.73 -0.66 120.51 120.77 1ubu n ALA 231 Ca 0.20 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.56 1ubu n ALA 231 Cb 0.71 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.12 1ubu n ALA 231 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 1ubu s LYS 232 N 0.00 0.60 -0.02 0.00 -2.85 -1.26 -4.87 119.74 111.34 1ubu s LYS 232 Ca 0.00 -0.08 0.00 0.00 -1.00 0.00 0.00 55.97 54.89 1ubu s LYS 232 Cb 0.00 0.28 0.02 0.00 -2.06 0.00 0.00 37.83 36.06 1ubu s LYS 232 CO 0.00 -0.23 0.00 1.21 0.10 0.00 0.00 175.35 176.43 1ubu s ASN 233 N -1.83 0.26 0.74 0.03 3.04 -1.26 -3.46 114.94 112.46 1ubu s ASN 233 Ca 0.03 -0.01 -0.11 0.00 0.04 0.00 0.00 52.86 52.81 1ubu s ASN 233 Cb -0.01 -0.12 0.03 0.00 -1.54 0.00 0.00 41.25 39.62 1ubu s ASN 233 CO -0.04 -0.06 1.07 -2.84 -3.04 0.00 0.00 177.10 172.19 1ubu s PRO 234 N 0.66 2.59 -0.17 0.43 0.02 -1.26 -5.01 135.00 132.27 1ubu s PRO 234 Ca -0.06 0.90 -0.03 0.00 0.02 0.00 0.00 61.00 61.83 1ubu s PRO 234 Cb -0.09 -1.96 0.00 0.00 0.02 0.00 0.00 34.50 32.48 1ubu s PRO 234 CO -0.01 -1.33 0.12 0.72 -0.33 0.00 0.00 177.00 176.17 1ubu n HIS 235 N -3.28 -1.78 -0.90 6.54 8.25 -1.26 -5.02 115.22 117.77 1ubu n HIS 235 Ca 0.08 0.76 -0.29 0.00 -0.26 0.00 0.00 57.72 58.00 1ubu n HIS 235 Cb 0.54 -2.70 0.19 0.00 1.12 0.00 0.00 29.99 29.14 1ubu n HIS 235 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 1ubu s THR 236 N -1.20 2.25 -0.45 1.59 -4.23 -1.23 -4.69 115.64 107.69 1ubu s THR 236 Ca 0.05 0.08 0.07 0.00 -1.18 0.00 0.00 61.69 60.71 1ubu s THR 236 Cb -0.01 -2.36 0.25 0.00 1.34 0.00 0.00 72.50 71.72 1ubu s THR 236 CO 0.37 -0.11 0.77 1.67 -0.54 0.00 0.00 174.62 176.78 1ubu n GLN 237 N -4.35 0.77 0.00 3.99 7.27 0.17 -4.90 117.38 120.33 1ubu n GLN 237 Ca 0.06 -2.27 0.00 0.00 0.07 0.00 0.00 57.00 54.85 1ubu n GLN 237 Cb 0.55 -1.37 0.00 0.00 2.41 0.00 0.00 30.24 31.83 1ubu n GLN 237 CO 0.00 0.00 0.00 1.97 0.07 0.00 0.00 177.06 179.10 1ubu n PHE 238 N 1.48 0.00 -3.75 3.69 1.16 -1.26 -4.66 117.46 114.12 1ubu n PHE 238 Ca 0.13 0.00 -0.34 0.00 -1.87 0.00 0.00 57.45 55.37 1ubu n PHE 238 Cb 0.60 0.00 -0.05 0.00 -1.61 0.00 0.00 39.48 38.42 1ubu n PHE 238 CO 0.00 0.00 0.00 0.95 -1.87 0.00 0.00 176.76 175.84 1ubu s THR 239 N 0.00 5.29 0.06 1.97 -4.23 -1.26 -0.99 115.64 116.47 1ubu s THR 239 Ca 0.00 0.15 -0.02 0.00 -1.18 0.00 0.00 61.69 60.64 1ubu s THR 239 Cb 0.00 -3.58 -0.03 0.00 1.34 0.00 0.00 72.50 70.23 1ubu s THR 239 CO 0.00 0.33 0.01 0.68 -0.54 0.00 0.00 174.62 175.10 1ubu s VAL 240 N -1.33 0.20 0.20 2.29 -7.23 -1.01 -4.90 120.40 108.62 1ubu s VAL 240 Ca 0.29 -1.68 -0.33 0.00 -1.81 0.00 0.00 61.98 58.45 1ubu s VAL 240 Cb -0.13 -1.47 -0.13 0.00 0.56 0.00 0.00 36.38 35.21 1ubu s VAL 240 CO 0.17 -0.93 1.63 0.52 -0.31 0.00 0.00 175.10 176.18 1ubu n VAL 241 N 0.10 0.14 0.00 1.32 0.31 -1.26 -1.76 118.33 117.19 1ubu n VAL 241 Ca -0.14 -0.03 0.00 0.00 -0.01 0.00 0.00 64.34 64.15 1ubu n VAL 241 Cb 0.61 -1.75 0.00 0.00 -0.91 0.00 0.00 33.84 31.79 1ubu n VAL 241 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1ubu n GLY 242 N 3.46 0.93 0.00 2.92 0.00 -1.26 -4.86 105.19 106.39 1ubu n GLY 242 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 1ubu n GLY 242 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ubu n GLY 243 N -2.00 -0.46 3.21 -0.02 0.00 -0.72 -1.04 105.19 104.17 1ubu n GLY 243 Ca 0.00 -0.14 -0.12 0.00 0.00 0.00 0.00 46.02 45.75 1ubu n GLY 243 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1ubu s VAL 244 N 0.00 0.23 -0.52 1.61 -7.23 -0.71 -2.40 120.40 111.38 1ubu s VAL 244 Ca 0.00 -1.97 0.13 0.00 -1.81 0.00 0.00 61.98 58.33 1ubu s VAL 244 Cb 0.00 -2.35 -0.16 0.00 0.56 0.00 0.00 36.38 34.43 1ubu s VAL 244 CO 0.00 -0.20 0.52 0.35 -0.31 0.00 0.00 175.10 175.46 1ubu n THR 245 N -0.26 0.00 -2.53 5.32 -2.24 -0.16 -4.29 114.28 110.12 1ubu n THR 245 Ca -0.02 -0.21 -0.43 0.00 -2.27 0.00 0.00 64.05 61.12 1ubu n THR 245 Cb 0.65 0.85 0.00 0.00 -2.10 0.00 0.00 70.33 69.73 1ubu n THR 245 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ubu h TYR 247 N 6.80 0.00 0.00 0.00 -1.99 -1.96 0.74 116.97 120.56 1ubu h TYR 247 Ca 0.41 0.00 0.00 0.00 2.00 0.00 0.00 58.73 61.14 1ubu h TYR 247 Cb 0.79 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.52 1ubu h TYR 247 CO 1.28 0.00 0.00 0.22 -0.00 0.00 0.00 178.16 179.66 1ubu h ASP 248 N 0.00 0.00 0.65 3.88 -0.00 -1.97 -2.32 116.42 116.66 1ubu h ASP 248 Ca 0.15 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.18 1ubu h ASP 248 Cb 0.69 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 40.02 1ubu h ASP 248 CO -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 179.24 179.24 1ubu n ALA 249 N -2.02 1.66 0.74 -0.78 0.00 0.25 -1.59 120.51 118.77 1ubu n ALA 249 Ca -0.00 0.04 0.13 0.00 0.00 0.00 0.00 53.44 53.61 1ubu n ALA 249 Cb 0.21 -1.34 0.43 0.00 0.00 0.00 0.00 19.45 18.75 1ubu n ALA 249 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1ubu n LEU 250 N -2.00 0.56 -4.82 0.00 4.32 -0.87 -4.54 117.00 109.65 1ubu n LEU 250 Ca 0.03 0.48 -0.33 0.00 -0.02 0.00 0.00 56.01 56.17 1ubu n LEU 250 Cb 0.21 -0.35 -0.07 0.00 -1.62 0.00 0.00 43.42 41.59 1ubu n LEU 250 CO 0.18 -0.10 0.65 0.42 -1.22 0.00 0.00 177.39 177.32 1ubu s THR 251 N -3.08 4.35 0.39 -5.08 -4.23 -0.62 -4.94 115.64 102.44 1ubu s THR 251 Ca 0.11 1.47 0.09 0.00 -1.18 0.00 0.00 61.69 62.19 1ubu s THR 251 Cb 0.15 -3.60 0.31 0.00 1.34 0.00 0.00 72.50 70.70 1ubu s THR 251 CO 0.60 -0.31 1.95 -0.65 -0.54 0.00 0.00 174.62 175.67 1ubu h PRO 252 N 1.91 0.59 -0.05 3.99 0.11 -1.91 -1.95 132.00 134.70 1ubu h PRO 252 Ca -0.49 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 65.58 1ubu h PRO 252 Cb 1.18 -0.13 -0.00 0.00 0.11 0.00 0.00 31.00 32.16 1ubu h PRO 252 CO 0.61 0.39 0.02 1.96 -0.21 0.00 0.00 178.00 180.77 1ubu h GLN 253 N 0.61 0.07 -0.57 1.05 7.50 -1.92 0.11 115.11 121.97 1ubu h GLN 253 Ca 0.32 -0.01 -0.09 0.00 0.50 0.00 0.00 58.65 59.37 1ubu h GLN 253 Cb 0.44 -0.01 -0.02 0.00 0.05 0.00 0.00 27.48 27.94 1ubu h GLN 253 CO -0.11 0.24 0.02 0.00 -1.50 0.00 0.00 178.83 177.48 1ubu h ARG 254 N -0.11 0.99 -0.82 1.46 2.47 -1.76 -0.94 114.38 115.67 1ubu h ARG 254 Ca 0.02 -0.30 -0.03 0.00 -1.26 0.00 0.00 59.98 58.40 1ubu h ARG 254 Cb 0.19 -0.10 -0.04 0.00 -1.65 0.00 0.00 29.97 28.38 1ubu h ARG 254 CO -0.00 0.98 0.40 0.82 0.56 0.00 0.00 179.97 182.72 1ubu h ILE 255 N 0.88 1.25 -0.50 2.04 2.04 -1.19 -0.24 117.51 121.79 1ubu h ILE 255 Ca 0.16 -0.70 -0.06 0.00 1.00 0.00 0.00 64.86 65.26 1ubu h ILE 255 Cb 0.52 0.20 -0.02 0.00 -0.74 0.00 0.00 36.82 36.78 1ubu h ILE 255 CO 0.02 0.30 0.06 0.00 0.00 0.00 0.00 178.15 178.54 1ubu h ALA 256 N 1.21 1.17 -0.22 1.87 0.00 -0.50 -0.08 119.26 122.72 1ubu h ALA 256 Ca 0.28 -0.23 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 1ubu h ALA 256 Cb 0.11 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1ubu h ALA 256 CO -0.04 0.55 -0.04 1.49 0.00 0.00 0.00 179.25 181.22 1ubu h GLU 257 N 0.76 0.41 -0.24 0.00 4.81 -0.52 -1.18 114.58 118.62 1ubu h GLU 257 Ca 0.16 -0.15 0.04 0.00 -0.13 0.00 0.00 59.36 59.28 1ubu h GLU 257 Cb 0.37 -0.03 -0.04 0.00 0.63 0.00 0.00 28.75 29.69 1ubu h GLU 257 CO 0.01 0.64 0.01 0.35 -0.73 0.00 0.00 179.01 179.29 1ubu h PHE 258 N 0.14 0.01 -0.94 0.92 3.04 -0.90 -2.40 116.94 116.82 1ubu h PHE 258 Ca 0.06 0.02 0.00 0.00 3.98 0.00 0.00 57.97 62.03 1ubu h PHE 258 Cb 0.48 0.03 -0.05 0.00 2.56 0.00 0.00 35.95 38.97 1ubu h PHE 258 CO 0.05 -0.02 0.60 1.49 -2.02 0.00 0.00 178.31 178.41 1ubu h GLU 259 N 0.09 1.25 -0.55 1.11 4.81 -0.80 0.69 114.58 121.18 1ubu h GLU 259 Ca 0.11 -0.09 -0.11 0.00 -0.13 0.00 0.00 59.36 59.14 1ubu h GLU 259 Cb 0.14 -0.27 -0.02 0.00 0.63 0.00 0.00 28.75 29.22 1ubu h GLU 259 CO -0.18 0.85 -0.08 0.00 -0.73 0.00 0.00 179.01 178.87 1ubu h ALA 260 N 1.38 0.81 -0.38 2.92 0.00 -1.06 0.82 119.26 123.75 1ubu h ALA 260 Ca 0.34 -0.34 -0.10 0.00 0.00 0.00 0.00 54.91 54.82 1ubu h ALA 260 Cb -0.11 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.47 1ubu h ALA 260 CO -0.07 0.67 -0.15 -0.07 0.00 0.00 0.00 179.25 179.63 1ubu h LEU 261 N 0.91 0.79 -0.29 0.00 3.38 -0.89 -2.42 115.31 116.79 1ubu h LEU 261 Ca 0.15 -0.39 0.00 0.00 0.09 0.00 0.00 57.88 57.73 1ubu h LEU 261 Cb 0.64 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.15 1ubu h LEU 261 CO 0.04 1.00 0.19 -0.25 0.09 0.00 0.00 178.44 179.51 1ubu h TRP 262 N 0.57 0.36 -0.95 1.13 7.01 -0.74 -0.31 115.95 123.02 1ubu h TRP 262 Ca 0.09 0.01 0.03 0.00 2.11 0.00 0.00 58.89 61.13 1ubu h TRP 262 Cb 0.68 -0.12 -0.05 0.00 -2.10 0.00 0.00 29.16 27.57 1ubu h TRP 262 CO 0.05 0.22 0.62 0.87 -2.79 0.00 0.00 178.44 177.42 1ubu h LYS 263 N 0.39 1.18 -0.29 2.65 1.57 -0.74 0.30 116.57 121.62 1ubu h LYS 263 Ca 0.11 -0.07 -0.15 0.00 -1.87 0.00 0.00 60.65 58.67 1ubu h LYS 263 Cb -0.04 -0.27 -0.01 0.00 0.08 0.00 0.00 32.23 32.00 1ubu h LYS 263 CO -0.03 0.78 -0.43 1.49 -0.57 0.00 0.00 179.45 180.69 1ubu h GLU 264 N 1.21 0.73 -0.37 3.15 4.81 -1.18 -0.87 114.58 122.08 1ubu h GLU 264 Ca 0.37 -0.40 -0.05 0.00 -0.13 0.00 0.00 59.36 59.16 1ubu h GLU 264 Cb -0.02 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.37 1ubu h GLU 264 CO -0.12 1.02 0.05 1.15 -0.73 0.00 0.00 179.01 180.38 1ubu h THR 265 N 0.59 1.24 -0.85 0.32 2.02 -0.30 -2.16 112.91 113.77 1ubu h THR 265 Ca 0.04 -0.87 -0.03 0.00 0.77 0.00 0.00 66.41 66.32 1ubu h THR 265 Cb 0.98 1.10 -0.04 0.00 -1.74 0.00 0.00 68.15 68.46 1ubu h THR 265 CO 0.09 0.29 0.41 0.50 0.37 0.00 0.00 175.52 177.18 1ubu h LYS 266 N 0.45 1.23 -0.99 6.66 3.64 -0.32 -1.02 116.57 126.22 1ubu h LYS 266 Ca 0.11 -0.18 0.01 0.00 -1.27 0.00 0.00 60.65 59.32 1ubu h LYS 266 Cb 0.38 -0.22 -0.05 0.00 -0.41 0.00 0.00 32.23 31.93 1ubu h LYS 266 CO 0.01 0.94 0.66 0.00 -2.27 0.00 0.00 179.45 178.79 1ubu h ALA 267 N 1.23 1.26 -0.54 5.00 0.00 -0.98 0.76 119.26 125.99 1ubu h ALA 267 Ca 0.29 -0.07 -0.06 0.00 0.00 0.00 0.00 54.91 55.07 1ubu h ALA 267 Cb 0.12 -0.40 -0.02 0.00 0.00 0.00 0.00 17.79 17.49 1ubu h ALA 267 CO -0.04 0.64 0.10 0.35 0.00 0.00 0.00 179.25 180.30 1ubu h PHE 268 N 1.34 0.95 -0.04 0.00 3.04 -0.66 0.23 116.94 121.80 1ubu h PHE 268 Ca 0.36 -0.13 0.02 0.00 3.98 0.00 0.00 57.97 62.20 1ubu h PHE 268 Cb -0.15 -0.26 -0.02 0.00 2.56 0.00 0.00 35.95 38.07 1ubu h PHE 268 CO -0.00 0.84 -0.07 0.28 -2.02 0.00 0.00 178.31 177.34 1ubu h VAL 269 N 0.78 0.80 -0.12 1.41 2.07 -0.66 0.16 116.25 120.70 1ubu h VAL 269 Ca 0.17 0.00 -0.17 0.00 0.82 0.00 0.00 66.70 67.51 1ubu h VAL 269 Cb 0.40 0.80 -0.00 0.00 -1.52 0.00 0.00 31.29 30.97 1ubu h VAL 269 CO 0.01 0.00 -0.66 0.44 0.02 0.00 0.00 177.57 177.38 1ubu h ASP 270 N -0.11 0.54 0.00 0.57 3.45 -0.60 -0.33 116.42 119.94 1ubu h ASP 270 Ca 0.04 -0.33 0.00 0.00 0.43 0.00 0.00 57.03 57.18 1ubu h ASP 270 Cb 0.17 -0.16 0.00 0.00 -0.56 0.00 0.00 39.33 38.78 1ubu h ASP 270 CO -0.10 1.05 -1.53 -0.62 -1.57 0.00 0.00 179.24 176.47 1ubu n GLU 271 N -3.89 0.77 0.05 3.56 1.02 0.78 -4.49 120.64 118.43 1ubu n GLU 271 Ca -0.04 -0.12 0.00 0.00 -0.02 0.00 0.00 57.16 56.98 1ubu n GLU 271 Cb 0.66 -1.38 0.00 0.00 -0.02 0.00 0.00 31.44 30.70 1ubu n GLU 271 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1ubu n VAL 272 N -1.92 1.10 0.40 2.62 0.31 0.44 -4.72 118.33 116.57 1ubu n VAL 272 Ca -0.01 0.36 -0.18 0.00 -0.01 0.00 0.00 64.34 64.50 1ubu n VAL 272 Cb 0.40 -1.50 -0.09 0.00 -0.91 0.00 0.00 33.84 31.74 1ubu n VAL 272 CO 0.00 0.00 0.00 0.22 -1.32 0.00 0.00 176.83 175.73 1ubu h TYR 273 N 0.00 -0.93 -0.55 3.52 3.20 -1.14 -2.08 116.97 118.99 1ubu h TYR 273 Ca 0.00 -0.02 -0.03 0.00 3.14 0.00 0.00 58.73 61.81 1ubu h TYR 273 Cb 0.00 0.31 -0.02 0.00 1.54 0.00 0.00 36.73 38.55 1ubu h TYR 273 CO 0.00 -0.56 0.21 0.82 -1.64 0.00 0.00 178.16 176.99 1ubu h ILE 274 N -1.07 1.22 -0.80 1.81 1.08 -1.30 -0.10 117.51 118.35 1ubu h ILE 274 Ca -0.10 -0.71 0.03 0.00 -0.39 0.00 0.00 64.86 63.69 1ubu h ILE 274 Cb 0.78 0.66 -0.05 0.00 -3.07 0.00 0.00 36.82 35.15 1ubu h ILE 274 CO 0.17 0.27 0.53 -0.65 -0.69 0.00 0.00 178.15 177.78 1ubu h PRO 275 N 0.75 0.96 -0.51 2.37 0.11 -1.78 -0.90 132.00 133.01 1ubu h PRO 275 Ca 0.18 -0.06 -0.07 0.00 0.11 0.00 0.00 66.00 66.17 1ubu h PRO 275 Cb 0.22 -0.22 -0.02 0.00 0.11 0.00 0.00 31.00 31.09 1ubu h PRO 275 CO -0.01 0.63 0.05 -0.44 -0.21 0.00 0.00 178.00 178.03 1ubu h ASP 276 N 0.99 0.84 -0.67 -2.05 3.32 -0.91 -0.79 116.42 117.14 1ubu h ASP 276 Ca 0.32 -0.28 0.04 0.00 0.02 0.00 0.00 57.03 57.13 1ubu h ASP 276 Cb 0.04 -0.22 -0.05 0.00 0.22 0.00 0.00 39.33 39.32 1ubu h ASP 276 CO -0.09 0.90 0.40 0.25 -1.72 0.00 0.00 179.24 178.98 1ubu h LEU 277 N 0.74 0.64 -0.62 1.55 6.46 -0.53 0.44 115.31 123.99 1ubu h LEU 277 Ca 0.15 0.01 -0.13 0.00 -0.12 0.00 0.00 57.88 57.79 1ubu h LEU 277 Cb 0.44 -0.13 -0.01 0.00 -0.73 0.00 0.00 40.66 40.24 1ubu h LEU 277 CO 0.02 0.44 -0.27 -0.07 -0.62 0.00 0.00 178.44 177.94 1ubu h LEU 278 N 0.78 0.83 -0.47 2.25 4.07 -0.88 0.75 115.31 122.63 1ubu h LEU 278 Ca 0.28 -0.32 -0.11 0.00 0.08 0.00 0.00 57.88 57.81 1ubu h LEU 278 Cb 0.07 -0.23 -0.01 0.00 1.08 0.00 0.00 40.66 41.57 1ubu h LEU 278 CO -0.13 1.05 -0.14 0.58 -1.08 0.00 0.00 178.44 178.72 1ubu h VAL 279 N 0.69 1.27 -0.43 1.22 2.07 -0.73 -0.88 116.25 119.46 1ubu h VAL 279 Ca 0.09 -1.28 -0.13 0.00 0.82 0.00 0.00 66.70 66.19 1ubu h VAL 279 Cb 0.80 1.12 -0.01 0.00 -1.52 0.00 0.00 31.29 31.68 1ubu h VAL 279 CO 0.07 0.44 -0.26 0.58 0.02 0.00 0.00 177.57 178.42 1ubu h VAL 280 N 0.77 1.27 -0.77 2.57 2.07 -0.79 -2.36 116.25 119.02 1ubu h VAL 280 Ca 0.11 -1.41 -0.04 0.00 0.82 0.00 0.00 66.70 66.18 1ubu h VAL 280 Cb 0.70 1.21 -0.03 0.00 -1.52 0.00 0.00 31.29 31.65 1ubu h VAL 280 CO 0.05 0.48 0.32 0.00 0.02 0.00 0.00 177.57 178.44 1ubu h ALA 281 N 0.92 0.99 -0.60 1.67 0.00 -0.74 -1.81 119.26 119.69 1ubu h ALA 281 Ca 0.09 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 1ubu h ALA 281 Cb 0.82 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 18.28 1ubu h ALA 281 CO 0.07 0.60 0.31 0.00 0.00 0.00 0.00 179.25 180.23 1ubu h ALA 282 N 1.16 1.41 0.00 0.00 0.00 -1.04 -2.13 119.26 118.65 1ubu h ALA 282 Ca 0.26 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 1ubu h ALA 282 Cb 0.19 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.73 1ubu h ALA 282 CO -0.02 0.48 -0.10 0.00 0.00 0.00 0.00 179.25 179.60 1ubu h ALA 283 N 1.50 0.99 -0.57 0.00 0.00 -0.81 -3.21 119.26 117.16 1ubu h ALA 283 Ca 0.21 -0.09 -0.40 0.00 0.00 0.00 0.00 54.91 54.63 1ubu h ALA 283 Cb 0.06 -0.02 -0.29 0.00 0.00 0.00 0.00 17.79 17.54 1ubu h ALA 283 CO -0.03 0.12 -0.52 0.66 0.00 0.00 0.00 179.25 179.48 1ubu n TYR 284 N -3.20 2.02 0.21 0.00 4.02 -0.76 -4.82 117.16 114.65 1ubu n TYR 284 Ca 0.01 -2.07 0.14 0.00 -0.01 0.00 0.00 57.90 55.97 1ubu n TYR 284 Cb 0.41 -0.44 0.72 0.00 -0.02 0.00 0.00 39.34 40.01 1ubu n TYR 284 CO 0.00 0.00 0.00 0.87 -1.01 0.00 0.00 176.86 176.72 1ubu h LYS 285 N 1.78 0.00 0.00 -0.72 1.57 -1.42 0.52 116.57 118.30 1ubu h LYS 285 Ca 0.30 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.08 1ubu h LYS 285 Cb 1.38 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.69 1ubu h LYS 285 CO 0.63 0.00 0.00 0.38 -0.57 0.00 0.00 179.45 179.89 1ubu h ASP 286 N 0.00 0.00 0.00 0.86 -0.00 -1.88 -2.56 116.42 112.84 1ubu h ASP 286 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.03 1ubu h ASP 286 Cb 0.12 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.45 1ubu h ASP 286 CO 0.00 0.00 0.00 0.79 -0.00 0.00 0.00 179.24 180.03 1ubu n TRP 287 N -2.84 0.00 0.92 4.15 7.02 0.17 -1.75 117.44 125.11 1ubu n TRP 287 Ca 0.00 0.00 0.11 0.00 -1.02 0.00 0.00 57.50 56.59 1ubu n TRP 287 Cb 0.22 0.00 0.53 0.00 -2.42 0.00 0.00 31.31 29.64 1ubu n TRP 287 CO 0.00 0.00 0.00 0.25 -2.02 0.00 0.00 177.69 175.92 1ubu n THR 288 N -0.80 0.37 0.89 -0.99 -2.24 -0.96 -2.24 114.28 108.30 1ubu n THR 288 Ca 0.12 0.09 0.10 0.00 -2.27 0.00 0.00 64.05 62.10 1ubu n THR 288 Cb 0.06 -0.70 -0.12 0.00 -2.10 0.00 0.00 70.33 67.46 1ubu n THR 288 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ubu n GLN 289 N -1.40 0.07 -4.38 -0.78 1.13 -0.72 -4.70 117.38 106.61 1ubu n GLN 289 Ca 0.08 -0.02 -0.22 0.00 -1.94 0.00 0.00 57.00 54.90 1ubu n GLN 289 Cb 0.23 -1.50 -0.11 0.00 0.11 0.00 0.00 30.24 28.97 1ubu n GLN 289 CO 0.00 0.00 0.00 0.71 -1.44 0.00 0.00 177.06 176.33 1ubu s TYR 290 N -3.06 1.93 0.00 1.08 2.02 -1.24 -4.86 117.35 113.21 1ubu s TYR 290 Ca 0.06 -0.46 0.00 0.00 -0.37 0.00 0.00 57.07 56.30 1ubu s TYR 290 Cb 0.16 -0.90 0.00 0.00 -0.40 0.00 0.00 41.96 40.81 1ubu s TYR 290 CO 0.87 0.44 0.00 0.41 -1.57 0.00 0.00 175.55 175.71 1ubu n GLY 291 N -0.16 0.50 3.88 0.71 0.00 -1.19 -0.24 105.19 108.69 1ubu n GLY 291 Ca -0.09 -0.90 -0.30 0.00 0.00 0.00 0.00 46.02 44.73 1ubu n GLY 291 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ubu s GLY 292 N -2.85 1.62 0.20 -0.02 0.00 -1.25 -3.70 107.32 101.32 1ubu s GLY 292 Ca 0.00 -0.40 -0.03 0.00 0.00 0.00 0.00 44.72 44.29 1ubu s GLY 292 CO 0.00 0.00 0.17 -0.51 0.00 0.00 0.00 173.10 172.76 1ubu s THR 293 N -3.39 0.01 -0.22 0.90 -4.23 -1.26 -4.20 115.64 103.25 1ubu s THR 293 Ca 0.59 -1.91 0.01 0.00 -1.18 0.00 0.00 61.69 59.20 1ubu s THR 293 Cb -0.11 -2.40 -0.14 0.00 1.34 0.00 0.00 72.50 71.19 1ubu s THR 293 CO 0.51 -0.06 -0.21 0.47 -0.54 0.00 0.00 174.62 174.80 1ubu n ASP 294 N -0.26 2.22 -4.23 3.99 8.00 -1.26 -4.86 116.55 120.15 1ubu n ASP 294 Ca 0.01 -0.08 -0.23 0.00 0.71 0.00 0.00 54.79 55.19 1ubu n ASP 294 Cb 0.65 -0.38 -0.13 0.00 -0.02 0.00 0.00 41.12 41.24 1ubu n ASP 294 CO 0.00 0.00 0.00 0.20 -0.39 0.00 0.00 177.20 177.01 1ubu s ASN 295 N -6.24 2.25 -0.02 -2.24 0.01 -1.26 -0.48 114.94 106.96 1ubu s ASN 295 Ca -0.30 -0.59 0.01 0.00 -0.71 0.00 0.00 52.86 51.27 1ubu s ASN 295 Cb 0.08 -0.14 0.01 0.00 0.41 0.00 0.00 41.25 41.61 1ubu s ASN 295 CO 0.50 0.07 -0.04 -0.36 -1.51 0.00 0.00 177.10 175.76 1ubu s PHE 296 N -1.01 0.48 0.03 2.20 0.40 0.00 -0.77 117.98 119.31 1ubu s PHE 296 Ca 0.05 -0.09 0.03 0.00 -0.60 0.00 0.00 56.93 56.31 1ubu s PHE 296 Cb -0.09 -0.40 -0.02 0.00 0.51 0.00 0.00 43.02 43.03 1ubu s PHE 296 CO 0.03 -0.07 -0.09 -1.50 0.70 0.00 0.00 175.22 174.29 1ubu s ILE 297 N 0.35 0.66 -0.08 0.64 2.07 -0.49 -0.63 121.20 123.72 1ubu s ILE 297 Ca -0.04 -0.79 -0.18 0.00 -1.41 0.00 0.00 60.65 58.23 1ubu s ILE 297 Cb -0.07 -0.64 0.04 0.00 0.13 0.00 0.00 42.46 41.91 1ubu s ILE 297 CO -0.00 -0.12 0.42 0.28 -1.91 0.00 0.00 174.94 173.61 1ubu s THR 298 N -0.84 0.03 -1.56 4.00 -1.32 -0.87 -4.37 115.64 110.71 1ubu s THR 298 Ca -0.03 -0.21 0.18 0.00 -1.21 0.00 0.00 61.69 60.42 1ubu s THR 298 Cb -0.07 -0.68 -0.03 0.00 -1.51 0.00 0.00 72.50 70.21 1ubu s THR 298 CO 0.00 -0.12 0.90 0.49 -2.21 0.00 0.00 174.62 173.69 1ubu n PHE 299 N 1.82 0.00 0.00 9.09 0.99 -1.26 -1.44 117.46 126.65 1ubu n PHE 299 Ca -0.18 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.27 1ubu n PHE 299 Cb 0.56 0.00 0.00 0.00 -1.00 0.00 0.00 39.48 39.04 1ubu n PHE 299 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1ubu n GLY 300 N 1.25 -2.24 3.42 1.37 0.00 -1.25 -3.95 105.19 103.79 1ubu n GLY 300 Ca 0.07 -1.48 -0.14 0.00 0.00 0.00 0.00 46.02 44.47 1ubu n GLY 300 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1ubu s GLU 301 N -3.08 1.10 -0.06 1.61 2.56 -0.12 -3.58 118.70 117.14 1ubu s GLU 301 Ca 0.00 -0.21 -0.00 0.00 0.00 0.00 0.00 54.97 54.76 1ubu s GLU 301 Cb 0.00 0.51 -0.00 0.00 2.00 0.00 0.00 34.13 36.64 1ubu s GLU 301 CO 0.00 -0.41 0.05 1.19 -0.56 0.00 0.00 175.26 175.53 1ubu n PHE 302 N 0.30 -0.20 -2.42 5.30 3.01 -1.26 -1.89 117.46 120.29 1ubu n PHE 302 Ca -0.18 0.08 -0.35 0.00 1.01 0.00 0.00 57.45 58.01 1ubu n PHE 302 Cb 0.61 -1.86 -0.02 0.00 -0.01 0.00 0.00 39.48 38.20 1ubu n PHE 302 CO 0.00 0.00 0.00 -1.25 1.01 0.00 0.00 176.76 176.52 1ubu s PRO 303 N -3.02 3.62 -0.07 -1.08 0.04 -1.26 -2.14 135.00 131.09 1ubu s PRO 303 Ca 0.01 1.48 0.11 0.00 0.04 0.00 0.00 61.00 62.64 1ubu s PRO 303 Cb -0.00 -2.07 -0.23 0.00 0.04 0.00 0.00 34.50 32.24 1ubu s PRO 303 CO 0.05 -0.60 0.57 1.63 0.04 0.00 0.00 177.00 178.69 1ubu n LYS 304 N -1.08 0.65 -4.01 4.56 4.76 -1.10 -4.87 118.16 117.07 1ubu n LYS 304 Ca 0.10 0.26 -0.30 0.00 -2.87 0.00 0.00 58.31 55.51 1ubu n LYS 304 Cb 0.52 -1.76 -0.16 0.00 -1.84 0.00 0.00 35.03 31.79 1ubu n LYS 304 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 1ubu s ASP 305 N -6.11 2.78 0.13 4.39 3.68 -1.26 -5.01 116.67 115.26 1ubu s ASP 305 Ca -0.07 -0.55 0.15 0.00 2.13 0.00 0.00 52.55 54.21 1ubu s ASP 305 Cb 0.08 -1.17 0.66 0.00 -1.45 0.00 0.00 42.92 41.04 1ubu s ASP 305 CO 0.82 -0.08 1.45 -0.62 0.13 0.00 0.00 175.17 176.87 1ubu n GLU 306 N 4.77 0.08 -0.11 4.34 -0.58 -1.26 -1.81 120.64 126.07 1ubu n GLU 306 Ca -0.16 0.43 0.06 0.00 -0.42 0.00 0.00 57.16 57.06 1ubu n GLU 306 Cb 0.49 -1.68 0.11 0.00 -0.57 0.00 0.00 31.44 29.80 1ubu n GLU 306 CO 0.00 0.00 0.00 0.66 -0.48 0.00 0.00 177.13 177.31 1ubu n TYR 307 N -1.83 0.29 -3.74 -0.32 4.02 -1.26 -4.87 117.16 109.45 1ubu n TYR 307 Ca 0.01 -0.31 -0.29 0.00 -0.01 0.00 0.00 57.90 57.30 1ubu n TYR 307 Cb 0.12 -0.02 -0.16 0.00 -0.02 0.00 0.00 39.34 39.26 1ubu n TYR 307 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 176.86 176.19 1ubu s ASP 308 N -0.97 3.33 0.54 7.72 3.68 -0.75 -4.98 116.67 125.25 1ubu s ASP 308 Ca 0.19 -1.10 0.26 0.00 2.13 0.00 0.00 52.55 54.03 1ubu s ASP 308 Cb 0.11 -0.70 1.56 0.00 -1.45 0.00 0.00 42.92 42.44 1ubu s ASP 308 CO 0.15 -0.34 2.15 -0.07 0.13 0.00 0.00 175.17 177.19 1ubu h LEU 309 N 8.19 0.00 -0.34 -1.34 3.38 -1.89 -1.17 115.31 122.13 1ubu h LEU 309 Ca -0.16 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.81 1ubu h LEU 309 Cb 1.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.83 1ubu h LEU 309 CO 0.39 0.06 0.00 0.59 0.09 0.00 0.00 178.44 179.57 1ubu n ASN 310 N -3.88 0.53 -0.33 -0.43 5.03 -1.26 -1.92 115.26 113.01 1ubu n ASN 310 Ca -0.03 -1.20 0.14 0.00 0.87 0.00 0.00 54.58 54.37 1ubu n ASN 310 Cb 0.16 -0.00 0.62 0.00 -1.02 0.00 0.00 39.78 39.53 1ubu n ASN 310 CO 0.00 0.00 0.00 -1.54 -1.83 0.00 0.00 177.26 173.89 1ubu n SER 311 N -0.57 1.04 -4.84 6.41 3.41 -0.44 -4.93 113.62 113.70 1ubu n SER 311 Ca 0.22 -1.27 -0.32 0.00 -0.26 0.00 0.00 58.87 57.23 1ubu n SER 311 Cb 0.19 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.09 1ubu n SER 311 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1ubu s ARG 312 N -2.07 4.07 0.24 4.33 0.52 -0.81 -2.69 118.95 122.54 1ubu s ARG 312 Ca 0.39 0.95 -0.06 0.00 -0.52 0.00 0.00 55.73 56.48 1ubu s ARG 312 Cb 0.21 -2.22 0.24 0.00 0.52 0.00 0.00 34.95 33.70 1ubu s ARG 312 CO 0.37 -0.08 1.90 0.35 0.02 0.00 0.00 175.30 177.85 1ubu h PHE 313 N 1.57 1.25 -3.20 -0.53 3.57 -0.85 -3.35 116.94 115.41 1ubu h PHE 313 Ca -0.48 0.01 -0.62 0.00 3.53 0.00 0.00 57.97 60.41 1ubu h PHE 313 Cb 1.18 -0.42 -0.14 0.00 2.79 0.00 0.00 35.95 39.37 1ubu h PHE 313 CO 0.62 0.82 -0.54 -0.06 -2.23 0.00 0.00 178.31 176.92 1ubu s PHE 314 N -6.03 3.33 0.22 0.41 0.08 -1.00 -4.97 117.98 110.03 1ubu s PHE 314 Ca -0.13 0.21 -0.08 0.00 0.12 0.00 0.00 56.93 57.06 1ubu s PHE 314 Cb 0.18 -2.06 -0.06 0.00 -0.57 0.00 0.00 43.02 40.50 1ubu s PHE 314 CO 0.82 0.29 0.51 0.15 -0.10 0.00 0.00 175.22 176.89 1ubu s LYS 315 N 0.08 3.73 0.87 0.44 3.01 -1.26 -0.95 119.74 125.67 1ubu s LYS 315 Ca 0.07 0.14 -0.11 0.00 -1.01 0.00 0.00 55.97 55.06 1ubu s LYS 315 Cb -0.12 -2.69 0.12 0.00 -1.01 0.00 0.00 37.83 34.12 1ubu s LYS 315 CO 0.00 0.34 1.09 -1.25 0.51 0.00 0.00 175.35 176.04 1ubu s PRO 316 N -2.90 1.44 0.00 -1.68 0.04 -1.25 -3.96 135.00 126.68 1ubu s PRO 316 Ca 0.45 0.95 0.00 0.00 0.04 0.00 0.00 61.00 62.45 1ubu s PRO 316 Cb -0.11 -1.82 0.00 0.00 0.04 0.00 0.00 34.50 32.61 1ubu s PRO 316 CO 0.23 -2.15 0.00 0.41 0.04 0.00 0.00 177.00 175.53 1ubu n GLY 317 N -1.02 0.49 2.90 0.56 0.00 -0.52 -4.79 105.19 102.81 1ubu n GLY 317 Ca 0.08 -0.82 -0.18 0.00 0.00 0.00 0.00 46.02 45.09 1ubu n GLY 317 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ubu s VAL 318 N -2.00 0.44 -0.05 1.61 1.01 -0.56 -2.05 120.40 118.79 1ubu s VAL 318 Ca 0.00 -0.12 0.02 0.00 0.00 0.00 0.00 61.98 61.88 1ubu s VAL 318 Cb 0.00 -0.45 0.01 0.00 0.00 0.00 0.00 36.38 35.94 1ubu s VAL 318 CO 0.00 0.18 -0.10 -0.69 0.00 0.00 0.00 175.10 174.49 1ubu s VAL 319 N 0.62 0.92 -0.11 2.92 1.01 0.19 -0.92 120.40 125.04 1ubu s VAL 319 Ca -0.07 -0.38 -0.03 0.00 0.00 0.00 0.00 61.98 61.50 1ubu s VAL 319 Cb -0.11 -0.85 -0.03 0.00 0.00 0.00 0.00 36.38 35.39 1ubu s VAL 319 CO -0.00 0.30 0.00 -0.36 0.00 0.00 0.00 175.10 175.04 1ubu s PHE 320 N 0.57 3.16 -1.48 5.22 0.08 -1.26 -0.82 117.98 123.45 1ubu s PHE 320 Ca -0.11 0.12 -0.11 0.00 0.12 0.00 0.00 56.93 56.95 1ubu s PHE 320 Cb -0.14 -1.84 0.06 0.00 -0.57 0.00 0.00 43.02 40.53 1ubu s PHE 320 CO 0.02 0.37 0.99 1.63 -0.10 0.00 0.00 175.22 178.13 1ubu n LYS 321 N 2.48 -5.93 -1.83 0.44 4.01 -0.42 -1.43 118.16 115.48 1ubu n LYS 321 Ca -0.18 0.65 -0.16 0.00 -0.51 0.00 0.00 58.31 58.11 1ubu n LYS 321 Cb 0.53 -5.53 -0.04 0.00 -0.51 0.00 0.00 35.03 29.47 1ubu n LYS 321 CO 0.00 0.00 0.00 0.54 -1.11 0.00 0.00 177.40 176.83 1ubu n ARG 322 N -4.70 -1.61 -2.75 1.97 1.74 0.37 -4.88 116.66 106.80 1ubu n ARG 322 Ca -0.00 0.86 -0.43 0.00 -0.77 0.00 0.00 57.85 57.50 1ubu n ARG 322 Cb 0.55 -5.28 -0.00 0.00 -1.02 0.00 0.00 32.46 26.71 1ubu n ARG 322 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1ubu s ASP 323 N -2.21 6.92 0.00 0.55 3.68 -0.51 -4.76 116.67 120.34 1ubu s ASP 323 Ca 0.00 -2.63 0.30 0.00 2.13 0.00 0.00 52.55 52.34 1ubu s ASP 323 Cb 0.00 -2.49 1.37 0.00 -1.45 0.00 0.00 42.92 40.34 1ubu s ASP 323 CO 0.00 -0.99 1.98 0.49 0.13 0.00 0.00 175.17 176.78 1ubu n PHE 324 N 7.13 0.00 0.43 -5.34 3.72 -1.26 -2.04 117.46 120.10 1ubu n PHE 324 Ca 0.42 0.00 0.13 0.00 -0.05 0.00 0.00 57.45 57.95 1ubu n PHE 324 Cb 0.45 -0.37 0.43 0.00 -0.94 0.00 0.00 39.48 39.05 1ubu n PHE 324 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 176.76 177.58 1ubu h LYS 325 N 0.02 0.00 -2.16 -1.08 6.56 -1.94 -3.36 116.57 114.61 1ubu h LYS 325 Ca 0.00 0.00 -0.56 0.00 -1.06 0.00 0.00 60.65 59.03 1ubu h LYS 325 Cb 0.39 0.00 -0.41 0.00 -0.57 0.00 0.00 32.23 31.64 1ubu h LYS 325 CO 0.00 0.00 -0.83 0.09 -2.06 0.00 0.00 179.45 176.65 1ubu n ASN 326 N -2.54 2.91 -4.73 0.86 3.02 -0.86 -5.07 115.26 108.85 1ubu n ASN 326 Ca 0.03 -3.35 -0.42 0.00 -0.03 0.00 0.00 54.58 50.81 1ubu n ASN 326 Cb 0.37 -0.61 -0.03 0.00 -0.61 0.00 0.00 39.78 38.90 1ubu n ASN 326 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1ubu s ILE 327 N -3.19 3.25 0.06 2.41 1.01 -1.26 -4.80 121.20 118.67 1ubu s ILE 327 Ca 0.43 0.95 -0.05 0.00 0.00 0.00 0.00 60.65 61.98 1ubu s ILE 327 Cb 0.26 -3.61 -0.05 0.00 0.01 0.00 0.00 42.46 39.07 1ubu s ILE 327 CO -0.10 0.11 0.30 -0.54 0.00 0.00 0.00 174.94 174.71 1ubu s LYS 328 N 0.53 3.58 0.70 2.79 -0.14 -0.09 -4.94 119.74 122.17 1ubu s LYS 328 Ca 0.61 -0.13 -0.15 0.00 -1.36 0.00 0.00 55.97 54.94 1ubu s LYS 328 Cb -0.37 -3.00 0.02 0.00 -1.68 0.00 0.00 37.83 32.81 1ubu s LYS 328 CO 0.34 0.58 1.17 -1.25 -0.76 0.00 0.00 175.35 175.43 1ubu s PRO 329 N -2.16 2.40 -0.24 -1.68 0.04 -1.26 -1.50 135.00 130.59 1ubu s PRO 329 Ca 0.33 1.63 -0.25 0.00 0.04 0.00 0.00 61.00 62.75 1ubu s PRO 329 Cb -0.13 -1.88 -0.00 0.00 0.04 0.00 0.00 34.50 32.53 1ubu s PRO 329 CO 0.21 -1.61 0.84 0.12 0.04 0.00 0.00 177.00 176.60 1ubu s PHE 330 N -2.10 3.31 -0.35 0.56 5.36 -1.26 -4.60 117.98 118.89 1ubu s PHE 330 Ca 0.72 1.14 -0.07 0.00 -0.96 0.00 0.00 56.93 57.75 1ubu s PHE 330 Cb -0.26 -3.07 0.04 0.00 -0.34 0.00 0.00 43.02 39.40 1ubu s PHE 330 CO 0.43 -0.41 0.14 0.34 -1.46 0.00 0.00 175.22 174.26 1ubu s ASP 331 N 1.34 5.42 0.19 6.13 3.68 -1.26 -4.96 116.67 127.21 1ubu s ASP 331 Ca 0.35 -1.17 0.19 0.00 2.13 0.00 0.00 52.55 54.06 1ubu s ASP 331 Cb -0.15 -1.91 0.86 0.00 -1.45 0.00 0.00 42.92 40.27 1ubu s ASP 331 CO 0.07 -0.36 1.59 2.29 0.13 0.00 0.00 175.17 178.89 1ubu n LYS 332 N 4.85 0.13 0.00 4.34 2.85 -1.26 -1.30 118.16 127.77 1ubu n LYS 332 Ca -0.12 0.43 0.14 0.00 -1.05 0.00 0.00 58.31 57.71 1ubu n LYS 332 Cb 0.45 -1.78 0.68 0.00 -0.65 0.00 0.00 35.03 33.73 1ubu n LYS 332 CO 0.00 0.00 0.00 -1.33 -0.05 0.00 0.00 177.40 176.02 1ubu n MET 333 N -2.02 0.49 -0.42 -1.58 2.81 -1.26 -3.71 117.12 111.43 1ubu n MET 333 Ca 0.02 -0.09 0.10 0.00 -1.81 0.00 0.00 57.70 55.91 1ubu n MET 333 Cb 0.16 -1.50 0.31 0.00 -0.71 0.00 0.00 33.22 31.48 1ubu n MET 333 CO 0.00 0.00 0.00 1.04 1.51 0.00 0.00 175.97 178.52 1ubu n GLN 334 N -1.17 2.90 -3.20 0.03 1.13 -0.42 -4.85 117.38 111.80 1ubu n GLN 334 Ca 0.14 -2.47 -0.39 0.00 -1.94 0.00 0.00 57.00 52.34 1ubu n GLN 334 Cb 0.26 -1.64 -0.06 0.00 0.11 0.00 0.00 30.24 28.92 1ubu n GLN 334 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1ubu s ILE 335 N -1.38 5.10 0.03 5.09 1.01 -1.24 -1.70 121.20 128.10 1ubu s ILE 335 Ca 0.45 1.09 0.03 0.00 0.00 0.00 0.00 60.65 62.23 1ubu s ILE 335 Cb 0.26 -3.89 -0.02 0.00 0.01 0.00 0.00 42.46 38.82 1ubu s ILE 335 CO 0.27 0.21 -0.10 -1.61 0.00 0.00 0.00 174.94 173.71 1ubu s GLU 336 N 1.29 0.72 -0.25 2.79 2.02 -0.56 -4.14 118.70 120.56 1ubu s GLU 336 Ca 0.28 -0.62 -0.08 0.00 0.02 0.00 0.00 54.97 54.57 1ubu s GLU 336 Cb -0.16 -0.65 -0.03 0.00 0.10 0.00 0.00 34.13 33.39 1ubu s GLU 336 CO 0.11 0.16 0.09 -1.21 0.02 0.00 0.00 175.26 174.43 1ubu s GLU 337 N -1.00 3.68 0.36 1.61 2.02 0.24 -0.25 118.70 125.36 1ubu s GLU 337 Ca -0.01 -0.46 -0.17 0.00 0.02 0.00 0.00 54.97 54.35 1ubu s GLU 337 Cb -0.07 -3.37 -0.10 0.00 0.10 0.00 0.00 34.13 30.69 1ubu s GLU 337 CO 0.01 -0.19 0.80 -1.01 0.02 0.00 0.00 175.26 174.88 1ubu s HIS 338 N 1.63 3.35 0.00 1.61 3.76 -0.20 -1.53 115.29 123.91 1ubu s HIS 338 Ca 0.06 1.33 0.00 0.00 -0.15 0.00 0.00 55.06 56.31 1ubu s HIS 338 Cb -0.15 -2.63 0.00 0.00 1.11 0.00 0.00 32.58 30.91 1ubu s HIS 338 CO 0.05 0.03 0.23 1.33 -0.85 0.00 0.00 174.74 175.52 1ubu n VAL 339 N -0.46 0.00 0.03 -0.90 0.24 -1.26 -1.14 118.33 114.84 1ubu n VAL 339 Ca 0.05 -0.28 0.14 0.00 -2.04 0.00 0.00 64.34 62.20 1ubu n VAL 339 Cb 0.53 1.35 0.59 0.00 -1.47 0.00 0.00 33.84 34.84 1ubu n VAL 339 CO 0.00 0.00 0.00 -0.09 -2.14 0.00 0.00 176.83 174.60 1ubu h ARG 340 N 0.00 0.18 -0.37 7.34 1.12 -1.76 -0.12 114.38 120.76 1ubu h ARG 340 Ca 0.00 -0.01 -0.04 0.00 -1.11 0.00 0.00 59.98 58.82 1ubu h ARG 340 Cb 0.17 -0.04 -0.02 0.00 -0.01 0.00 0.00 29.97 30.07 1ubu h ARG 340 CO 0.00 0.12 0.02 0.72 -3.11 0.00 0.00 179.97 177.72 1ubu n HIS 341 N -4.45 1.32 -4.49 2.20 8.25 -1.26 -4.64 115.22 112.14 1ubu n HIS 341 Ca 0.07 -0.95 -0.24 0.00 -0.26 0.00 0.00 57.72 56.33 1ubu n HIS 341 Cb 0.38 -0.41 -0.10 0.00 1.12 0.00 0.00 29.99 30.98 1ubu n HIS 341 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 1ubu s SER 342 N -1.69 3.57 -1.50 0.41 0.01 -0.06 -1.80 113.70 112.64 1ubu s SER 342 Ca 0.46 -1.10 -0.08 0.00 1.31 0.00 0.00 55.95 56.54 1ubu s SER 342 Cb 0.37 -0.31 0.00 0.00 0.21 0.00 0.00 66.02 66.30 1ubu s SER 342 CO 0.10 -0.07 2.69 0.79 0.41 0.00 0.00 173.24 177.16 1ubu n TRP 343 N -0.67 2.54 -4.25 2.43 8.01 -0.29 -4.82 117.44 120.38 1ubu n TRP 343 Ca -0.05 -2.98 -0.14 0.00 -1.31 0.00 0.00 57.50 53.02 1ubu n TRP 343 Cb 0.61 -2.23 -0.10 0.00 -2.01 0.00 0.00 31.31 27.58 1ubu n TRP 343 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 177.69 177.39 1ubu s TYR 344 N 0.86 1.25 0.20 -5.99 1.51 -1.23 -0.60 117.35 113.36 1ubu s TYR 344 Ca 0.62 -0.96 -0.31 0.00 -1.01 0.00 0.00 57.07 55.41 1ubu s TYR 344 Cb 0.18 -0.71 -0.11 0.00 -0.11 0.00 0.00 41.96 41.21 1ubu s TYR 344 CO -0.07 -0.14 1.62 -1.21 -1.11 0.00 0.00 175.55 174.64 1ubu s GLU 345 N -3.88 4.17 2.06 -0.62 2.02 0.26 -4.64 118.70 118.07 1ubu s GLU 345 Ca 0.23 2.48 0.00 0.00 0.02 0.00 0.00 54.97 57.69 1ubu s GLU 345 Cb 0.05 -3.11 0.00 0.00 0.10 0.00 0.00 34.13 31.18 1ubu s GLU 345 CO 0.04 -0.66 0.00 0.41 0.02 0.00 0.00 175.26 175.07 1ubu n GLY 346 N 3.57 -1.27 0.03 -1.39 0.00 -1.26 -4.65 105.19 100.22 1ubu n GLY 346 Ca 0.14 -1.32 0.00 0.00 0.00 0.00 0.00 46.02 44.84 1ubu n GLY 346 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ubu n ALA 347 N 2.49 1.06 -2.64 4.61 0.00 -1.26 -4.31 120.51 120.46 1ubu n ALA 347 Ca 0.00 -0.46 -0.41 0.00 0.00 0.00 0.00 53.44 52.57 1ubu n ALA 347 Cb 0.00 -0.03 -0.05 0.00 0.00 0.00 0.00 19.45 19.37 1ubu n ALA 347 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1ubu s GLU 348 N 0.00 4.18 0.54 0.00 2.12 -1.26 -4.34 118.70 119.94 1ubu s GLU 348 Ca 0.00 0.77 -0.19 0.00 0.36 0.00 0.00 54.97 55.91 1ubu s GLU 348 Cb 0.00 -3.62 -0.06 0.00 0.26 0.00 0.00 34.13 30.70 1ubu s GLU 348 CO 0.00 -0.41 1.10 0.00 -0.54 0.00 0.00 175.26 175.41 1ubu s ALA 349 N 2.47 2.73 -0.00 6.30 0.00 -1.26 -4.50 121.76 127.50 1ubu s ALA 349 Ca 0.31 0.72 0.01 0.00 0.00 0.00 0.00 51.96 53.01 1ubu s ALA 349 Cb -0.16 -3.32 0.00 0.00 0.00 0.00 0.00 23.12 19.64 1ubu s ALA 349 CO 0.09 -0.68 -0.02 1.03 0.00 0.00 0.00 175.76 176.18 1ubu s ARG 350 N -3.36 0.21 0.31 0.00 1.81 -0.58 -4.86 118.95 112.47 1ubu s ARG 350 Ca 0.70 -0.08 -0.29 0.00 -1.72 0.00 0.00 55.73 54.34 1ubu s ARG 350 Cb -0.21 -0.22 -0.10 0.00 -0.45 0.00 0.00 34.95 33.97 1ubu s ARG 350 CO 0.26 0.04 1.35 -1.58 -0.68 0.00 0.00 175.30 174.69 1ubu s HIS 351 N 0.02 3.03 0.55 -0.53 5.65 -1.26 -0.60 115.29 122.16 1ubu s HIS 351 Ca 0.00 1.30 0.40 0.00 0.25 0.00 0.00 55.06 57.01 1ubu s HIS 351 Cb -0.02 -3.73 2.13 0.00 -1.18 0.00 0.00 32.58 29.78 1ubu s HIS 351 CO -0.00 -2.12 2.28 -1.35 -0.65 0.00 0.00 174.74 172.90 1ubu h PRO 352 N 3.87 0.00 0.00 2.88 0.11 -1.95 0.18 132.00 137.09 1ubu h PRO 352 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1ubu h PRO 352 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 1ubu h PRO 352 CO 0.69 0.01 0.00 0.91 -0.21 0.00 0.00 178.00 179.40 1ubu n TRP 353 N -3.22 0.00 -1.83 0.65 8.01 -1.26 -2.09 117.44 117.70 1ubu n TRP 353 Ca -0.02 0.00 0.02 0.00 -1.31 0.00 0.00 57.50 56.19 1ubu n TRP 353 Cb 0.12 -0.24 0.15 0.00 -2.01 0.00 0.00 31.31 29.33 1ubu n TRP 353 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.69 178.31 1ubu n LYS 354 N -1.24 1.54 -1.50 -0.99 5.02 0.59 -4.94 118.16 116.64 1ubu n LYS 354 Ca 0.12 -3.19 -0.30 0.00 -2.02 0.00 0.00 58.31 52.92 1ubu n LYS 354 Cb 0.17 -1.42 0.08 0.00 -0.02 0.00 0.00 35.03 33.85 1ubu n LYS 354 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 1ubu s GLY 355 N -3.08 1.64 -0.02 0.72 0.00 -0.89 -4.66 107.32 101.03 1ubu s GLY 355 Ca 0.38 -0.04 0.00 0.00 0.00 0.00 0.00 44.72 45.07 1ubu s GLY 355 CO -0.07 0.34 0.01 1.20 0.00 0.00 0.00 173.10 174.58 1ubu s GLN 356 N -5.07 0.09 -0.42 2.90 -0.21 -1.26 -5.03 119.66 110.65 1ubu s GLN 356 Ca 0.60 0.08 0.02 0.00 0.02 0.00 0.00 55.36 56.08 1ubu s GLN 356 Cb -0.15 -0.25 0.13 0.00 1.00 0.00 0.00 33.01 33.74 1ubu s GLN 356 CO 0.55 -0.10 0.22 0.99 -2.12 0.00 0.00 175.29 174.83 1ubu s THR 357 N 0.69 1.37 -0.60 -0.19 2.01 -1.26 -5.05 115.64 112.61 1ubu s THR 357 Ca -0.06 -2.43 0.04 0.00 0.31 0.00 0.00 61.69 59.56 1ubu s THR 357 Cb -0.09 -1.97 0.16 0.00 0.01 0.00 0.00 72.50 70.61 1ubu s THR 357 CO -0.02 -0.86 0.41 -1.10 -0.69 0.00 0.00 174.62 172.36 1ubu s GLN 358 N 0.50 2.00 0.46 4.92 -0.21 -1.26 -4.87 119.66 121.21 1ubu s GLN 358 Ca 0.17 -2.90 -0.25 0.00 0.02 0.00 0.00 55.36 52.40 1ubu s GLN 358 Cb -0.24 -2.94 -0.08 0.00 1.00 0.00 0.00 33.01 30.75 1ubu s GLN 358 CO -0.02 -1.27 1.37 -1.25 -2.12 0.00 0.00 175.29 172.00 1ubu s PRO 359 N -0.85 3.65 -0.29 2.91 0.04 -1.26 -0.58 135.00 138.61 1ubu s PRO 359 Ca 0.24 2.29 0.04 0.00 0.04 0.00 0.00 61.00 63.61 1ubu s PRO 359 Cb -0.08 -2.59 0.19 0.00 0.04 0.00 0.00 34.50 32.07 1ubu s PRO 359 CO -0.13 -0.80 0.57 0.21 0.04 0.00 0.00 177.00 176.89 1ubu s LYS 360 N -2.50 0.54 0.10 4.56 2.47 0.23 -4.65 119.74 120.49 1ubu s LYS 360 Ca 0.62 0.60 -0.24 0.00 -1.56 0.00 0.00 55.97 55.39 1ubu s LYS 360 Cb -0.41 0.24 -0.07 0.00 -1.46 0.00 0.00 37.83 36.14 1ubu s LYS 360 CO 0.52 -0.96 0.73 -0.47 0.16 0.00 0.00 175.35 175.33 1ubu s TYR 361 N 2.80 3.83 0.00 4.03 5.04 -1.26 -3.48 117.35 128.31 1ubu s TYR 361 Ca 0.12 1.50 0.00 0.00 -2.44 0.00 0.00 57.07 56.25 1ubu s TYR 361 Cb -0.11 -2.73 0.00 0.00 0.35 0.00 0.00 41.96 39.47 1ubu s TYR 361 CO -0.25 0.45 0.75 0.25 -1.34 0.00 0.00 175.55 175.41 1ubu n THR 362 N 2.04 0.53 -0.69 4.34 -2.24 -1.26 -5.10 114.28 111.90 1ubu n THR 362 Ca -0.06 -0.55 0.09 0.00 -2.27 0.00 0.00 64.05 61.27 1ubu n THR 362 Cb 0.50 0.76 -0.03 0.00 -2.10 0.00 0.00 70.33 69.46 1ubu n THR 362 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1ubu n ASP 363 N -0.26 -4.10 -4.63 3.42 4.64 -1.26 -3.62 116.55 110.72 1ubu n ASP 363 Ca 0.00 0.36 -0.43 0.00 -1.38 0.00 0.00 54.79 53.35 1ubu n ASP 363 Cb 0.34 -2.14 -0.03 0.00 -1.04 0.00 0.00 41.12 38.26 1ubu n ASP 363 CO 0.00 0.00 0.00 -0.76 -0.82 0.00 0.00 177.20 175.62 1ubu s LEU 364 N -5.12 3.95 -0.52 -2.67 1.43 -1.26 -1.68 118.68 112.81 1ubu s LEU 364 Ca 0.00 1.77 0.00 0.00 -1.03 0.00 0.00 54.13 54.87 1ubu s LEU 364 Cb 0.00 -3.53 0.00 0.00 0.03 0.00 0.00 46.19 42.69 1ubu s LEU 364 CO 0.00 -1.25 0.00 1.41 0.23 0.00 0.00 176.35 176.74 1ubu n HIS 365 N 8.45 0.00 -2.35 0.29 8.25 0.69 -4.98 115.22 125.56 1ubu n HIS 365 Ca 0.19 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.23 1ubu n HIS 365 Cb 0.45 -1.39 -0.03 0.00 1.12 0.00 0.00 29.99 30.14 1ubu n HIS 365 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 1ubu s GLY 366 N -2.46 2.08 -1.38 -1.41 0.00 -0.68 -2.19 107.32 101.28 1ubu s GLY 366 Ca 0.00 0.80 -0.06 0.00 0.00 0.00 0.00 44.72 45.46 1ubu s GLY 366 CO 0.00 2.28 0.48 1.34 0.00 0.00 0.00 173.10 177.20 1ubu n ASP 367 N 4.85 -4.74 -1.63 1.64 4.64 -1.26 -1.81 116.55 118.23 1ubu n ASP 367 Ca 0.11 -0.29 -0.16 0.00 -1.38 0.00 0.00 54.79 53.08 1ubu n ASP 367 Cb 0.45 -3.89 -0.02 0.00 -1.04 0.00 0.00 41.12 36.62 1ubu n ASP 367 CO 0.00 0.00 0.00 -0.67 -0.82 0.00 0.00 177.20 175.71 1ubu n ASP 368 N -2.33 -4.77 -4.44 1.67 4.64 -0.93 -4.95 116.55 105.44 1ubu n ASP 368 Ca -0.07 0.10 -0.33 0.00 -1.38 0.00 0.00 54.79 53.11 1ubu n ASP 368 Cb 0.58 -3.82 -0.14 0.00 -1.04 0.00 0.00 41.12 36.70 1ubu n ASP 368 CO 0.00 0.00 0.00 -0.13 -0.82 0.00 0.00 177.20 176.25 1ubu s ARG 369 N -4.37 2.77 0.00 -0.67 0.52 -0.75 -4.47 118.95 111.98 1ubu s ARG 369 Ca 0.00 -0.70 0.00 0.00 -0.52 0.00 0.00 55.73 54.51 1ubu s ARG 369 Cb 0.00 -2.45 0.00 0.00 0.52 0.00 0.00 34.95 33.02 1ubu s ARG 369 CO 0.00 0.50 0.63 2.48 0.02 0.00 0.00 175.30 178.92 1ubu n TYR 370 N 2.69 0.00 -3.59 -0.53 4.11 -0.74 -0.22 117.16 118.87 1ubu n TYR 370 Ca -0.17 0.00 -0.16 0.00 -0.00 0.00 0.00 57.90 57.57 1ubu n TYR 370 Cb 0.52 0.09 -0.06 0.00 -0.00 0.00 0.00 39.34 39.89 1ubu n TYR 370 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.86 177.31 1ubu s SER 371 N -0.38 -0.48 0.00 9.48 0.15 -1.25 -4.14 113.70 117.08 1ubu s SER 371 Ca 0.00 0.39 0.28 0.00 0.70 0.00 0.00 55.95 57.32 1ubu s SER 371 Cb 0.00 0.47 1.12 0.00 -1.71 0.00 0.00 66.02 65.91 1ubu s SER 371 CO 0.00 -0.61 1.81 0.79 1.20 0.00 0.00 173.24 176.42 1ubu n TRP 372 N 0.81 0.00 -2.91 3.44 7.02 -0.68 -1.14 117.44 123.98 1ubu n TRP 372 Ca -0.19 0.00 -0.38 0.00 -1.02 0.00 0.00 57.50 55.91 1ubu n TRP 372 Cb 0.58 -0.24 -0.06 0.00 -2.42 0.00 0.00 31.31 29.17 1ubu n TRP 372 CO 0.00 0.00 0.00 -1.64 -2.02 0.00 0.00 177.69 174.03 1ubu s MET 373 N -2.63 4.53 0.97 -0.99 -1.94 -1.26 -4.79 119.30 113.19 1ubu s MET 373 Ca 0.24 1.19 -0.13 0.00 -1.71 0.00 0.00 55.69 55.27 1ubu s MET 373 Cb 0.19 -3.02 0.17 0.00 2.01 0.00 0.00 34.83 34.19 1ubu s MET 373 CO 0.52 0.43 1.13 0.15 -0.01 0.00 0.00 175.02 177.23 1ubu s LYS 374 N -1.66 0.66 -0.50 2.03 1.02 -1.26 -4.42 119.74 115.61 1ubu s LYS 374 Ca 0.43 0.26 0.04 0.00 0.02 0.00 0.00 55.97 56.72 1ubu s LYS 374 Cb -0.20 -1.79 0.13 0.00 -0.52 0.00 0.00 37.83 35.45 1ubu s LYS 374 CO 0.25 -2.52 0.24 0.00 -0.92 0.00 0.00 175.35 172.39 1ubu s ALA 375 N -3.21 3.25 0.35 5.17 0.00 -0.29 -4.25 121.76 122.78 1ubu s ALA 375 Ca 0.66 -3.19 -0.27 0.00 0.00 0.00 0.00 51.96 49.15 1ubu s ALA 375 Cb -0.15 -2.14 -0.09 0.00 0.00 0.00 0.00 23.12 20.74 1ubu s ALA 375 CO 0.55 -1.98 1.22 -2.14 0.00 0.00 0.00 175.76 173.40 1ubu s PRO 376 N -0.15 4.28 0.01 0.00 0.02 -1.26 -1.04 135.00 136.87 1ubu s PRO 376 Ca 0.16 2.00 0.02 0.00 0.02 0.00 0.00 61.00 63.20 1ubu s PRO 376 Cb -0.25 -2.94 -0.01 0.00 0.02 0.00 0.00 34.50 31.32 1ubu s PRO 376 CO -0.01 -0.17 -0.06 1.03 -0.33 0.00 0.00 177.00 177.46 1ubu s ARG 377 N -1.92 0.47 -0.24 5.54 1.81 0.66 -4.66 118.95 120.61 1ubu s ARG 377 Ca 0.51 -0.41 -0.05 0.00 -1.72 0.00 0.00 55.73 54.07 1ubu s ARG 377 Cb -0.35 -0.37 -0.01 0.00 -0.45 0.00 0.00 34.95 33.78 1ubu s ARG 377 CO 0.45 0.09 -0.01 -0.47 -0.68 0.00 0.00 175.30 174.68 1ubu s TYR 378 N -0.61 3.01 -1.69 -0.53 6.14 -0.30 -1.50 117.35 121.86 1ubu s TYR 378 Ca -0.03 -0.89 -0.18 0.00 0.64 0.00 0.00 57.07 56.61 1ubu s TYR 378 Cb -0.05 -2.14 0.16 0.00 0.42 0.00 0.00 41.96 40.34 1ubu s TYR 378 CO 0.00 -0.53 0.80 -1.33 0.64 0.00 0.00 175.55 175.13 1ubu n MET 379 N 4.82 -3.32 -0.66 4.97 2.81 -0.69 -0.66 117.12 124.40 1ubu n MET 379 Ca -0.17 0.39 0.00 0.00 -1.81 0.00 0.00 57.70 56.10 1ubu n MET 379 Cb 0.50 -5.14 0.00 0.00 -0.71 0.00 0.00 33.22 27.88 1ubu n MET 379 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1ubu n GLY 380 N -1.40 1.59 3.72 3.03 0.00 -1.26 -5.03 105.19 105.84 1ubu n GLY 380 Ca 0.08 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.79 1ubu n GLY 380 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ubu s GLU 381 N -0.04 2.75 0.08 1.61 0.41 0.16 -4.96 118.70 118.72 1ubu s GLU 381 Ca 0.00 -0.71 -0.30 0.00 -0.41 0.00 0.00 54.97 53.55 1ubu s GLU 381 Cb 0.00 -2.65 -0.05 0.00 -1.78 0.00 0.00 34.13 29.64 1ubu s GLU 381 CO 0.00 0.58 1.06 -1.25 -0.49 0.00 0.00 175.26 175.16 1ubu s PRO 382 N -2.09 4.56 -0.10 0.39 0.04 -1.26 -1.16 135.00 135.38 1ubu s PRO 382 Ca 0.25 1.59 0.02 0.00 0.04 0.00 0.00 61.00 62.90 1ubu s PRO 382 Cb -0.12 -3.37 0.01 0.00 0.04 0.00 0.00 34.50 31.07 1ubu s PRO 382 CO 0.17 -0.02 -0.15 -1.64 0.04 0.00 0.00 177.00 175.40 1ubu s MET 383 N 0.47 2.16 0.27 4.56 -1.94 -1.26 -4.48 119.30 119.07 1ubu s MET 383 Ca 0.52 -0.55 -0.29 0.00 -1.71 0.00 0.00 55.69 53.66 1ubu s MET 383 Cb -0.26 -1.82 -0.09 0.00 2.01 0.00 0.00 34.83 34.67 1ubu s MET 383 CO 0.30 -0.04 1.20 -2.00 -0.01 0.00 0.00 175.02 174.48 1ubu s GLU 384 N 0.91 4.50 0.27 2.03 2.12 0.05 -4.22 118.70 124.36 1ubu s GLU 384 Ca -0.08 1.97 0.03 0.00 0.36 0.00 0.00 54.97 57.24 1ubu s GLU 384 Cb -0.15 -3.16 -0.06 0.00 0.26 0.00 0.00 34.13 31.02 1ubu s GLU 384 CO -0.00 -0.01 0.04 -0.08 -0.54 0.00 0.00 175.26 174.67 1ubu s THR 385 N -0.83 0.97 -0.08 -1.70 -1.32 -1.26 -1.40 115.64 110.02 1ubu s THR 385 Ca 0.48 -2.02 0.00 0.00 -1.21 0.00 0.00 61.69 58.95 1ubu s THR 385 Cb -0.35 -2.57 0.00 0.00 -1.51 0.00 0.00 72.50 68.07 1ubu s THR 385 CO 0.43 -0.13 0.00 0.61 -2.21 0.00 0.00 174.62 173.32 1ubu n GLY 386 N -0.52 0.24 0.37 6.08 0.00 -1.06 -4.69 105.19 105.62 1ubu n GLY 386 Ca -0.03 -2.30 0.07 0.00 0.00 0.00 0.00 46.02 43.76 1ubu n GLY 386 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1ubu h PRO 387 N 8.39 0.87 -0.44 1.61 0.11 -1.82 0.45 132.00 141.17 1ubu h PRO 387 Ca 0.00 -0.05 -0.11 0.00 0.11 0.00 0.00 66.00 65.95 1ubu h PRO 387 Cb 0.00 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 30.90 1ubu h PRO 387 CO 0.00 0.58 -0.15 1.25 -0.21 0.00 0.00 178.00 179.46 1ubu h LEU 388 N 0.90 0.90 -0.55 2.35 6.46 -1.86 0.49 115.31 124.00 1ubu h LEU 388 Ca 0.43 -0.38 -0.02 0.00 -0.12 0.00 0.00 57.88 57.79 1ubu h LEU 388 Cb 0.43 -0.25 -0.03 0.00 -0.73 0.00 0.00 40.66 40.09 1ubu h LEU 388 CO -0.19 1.08 0.27 0.00 -0.62 0.00 0.00 178.44 178.98 1ubu h ALA 389 N 0.85 0.71 -0.31 1.25 0.00 -1.56 -1.20 119.26 119.00 1ubu h ALA 389 Ca 0.11 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 1ubu h ALA 389 Cb 0.71 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 1ubu h ALA 389 CO 0.05 0.26 0.05 0.37 0.00 0.00 0.00 179.25 179.98 1ubu h GLN 390 N 0.74 0.51 -0.05 0.00 4.15 -0.77 -1.65 115.11 118.05 1ubu h GLN 390 Ca 0.19 -0.14 -0.01 0.00 0.77 0.00 0.00 58.65 59.46 1ubu h GLN 390 Cb 0.11 -0.06 -0.00 0.00 0.21 0.00 0.00 27.48 27.74 1ubu h GLN 390 CO -0.03 0.61 0.00 0.28 -1.93 0.00 0.00 178.83 177.76 1ubu h VAL 391 N 0.33 1.25 -0.32 2.39 2.07 -0.89 -1.09 116.25 119.99 1ubu h VAL 391 Ca 0.09 -0.75 -0.13 0.00 0.82 0.00 0.00 66.70 66.73 1ubu h VAL 391 Cb 0.35 1.65 -0.01 0.00 -1.52 0.00 0.00 31.29 31.76 1ubu h VAL 391 CO 0.01 0.20 -0.34 -0.07 0.02 0.00 0.00 177.57 177.39 1ubu h LEU 392 N -0.20 0.75 -0.27 2.57 3.38 -1.21 0.79 115.31 121.12 1ubu h LEU 392 Ca 0.01 -0.31 -0.13 0.00 0.09 0.00 0.00 57.88 57.54 1ubu h LEU 392 Cb 0.32 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.86 1ubu h LEU 392 CO 0.00 1.02 -0.35 0.40 0.09 0.00 0.00 178.44 179.60 1ubu h ILE 393 N 0.60 1.30 -0.59 1.22 2.04 -1.31 -0.98 117.51 119.79 1ubu h ILE 393 Ca 0.06 -1.54 -0.03 0.00 1.00 0.00 0.00 64.86 64.35 1ubu h ILE 393 Cb 0.86 1.64 -0.03 0.00 -0.74 0.00 0.00 36.82 38.55 1ubu h ILE 393 CO 0.07 0.49 0.24 0.00 0.00 0.00 0.00 178.15 178.95 1ubu h ALA 394 N 0.68 0.77 -0.47 1.87 0.00 -1.06 -0.13 119.26 120.93 1ubu h ALA 394 Ca 0.03 -0.17 0.06 0.00 0.00 0.00 0.00 54.91 54.84 1ubu h ALA 394 Cb 0.94 -0.23 -0.05 0.00 0.00 0.00 0.00 17.79 18.44 1ubu h ALA 394 CO 0.08 0.38 0.16 -0.92 0.00 0.00 0.00 179.25 178.96 1ubu h TYR 395 N 0.82 0.28 0.00 0.00 3.20 -0.68 -1.42 116.97 119.18 1ubu h TYR 395 Ca 0.20 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.09 1ubu h TYR 395 Cb 0.20 -0.06 0.00 0.00 1.54 0.00 0.00 36.73 38.41 1ubu h TYR 395 CO 0.01 0.10 0.00 0.77 -1.64 0.00 0.00 178.16 177.39 1ubu h SER 396 N 0.33 0.00 0.07 -2.11 0.02 -0.50 -0.83 113.55 110.53 1ubu h SER 396 Ca 0.22 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.17 1ubu h SER 396 Cb 0.23 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.77 1ubu h SER 396 CO -0.23 0.00 -0.02 0.00 -1.14 0.00 0.00 176.83 175.44 1ubu n GLN 397 N -2.35 1.16 -0.78 3.45 6.02 -0.12 -4.95 117.38 119.81 1ubu n GLN 397 Ca 0.04 -0.37 0.00 0.00 -0.01 0.00 0.00 57.00 56.66 1ubu n GLN 397 Cb 0.34 -1.49 0.00 0.00 1.02 0.00 0.00 30.24 30.11 1ubu n GLN 397 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1ubu n GLY 398 N 1.11 0.52 3.61 1.08 0.00 -0.32 -4.99 105.19 106.21 1ubu n GLY 398 Ca 0.21 -0.85 -0.43 0.00 0.00 0.00 0.00 46.02 44.94 1ubu n GLY 398 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1ubu n HIS 399 N -2.78 2.10 -0.07 1.61 -0.00 -0.62 -4.85 115.22 110.61 1ubu n HIS 399 Ca 0.00 -0.18 -0.03 0.00 -0.00 0.00 0.00 57.72 57.51 1ubu n HIS 399 Cb 0.00 -2.74 0.20 0.00 -0.00 0.00 0.00 29.99 27.45 1ubu n HIS 399 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.34 174.99 1ubu h PRO 400 N 13.80 0.71 -0.22 1.57 0.11 -1.94 0.29 132.00 146.32 1ubu h PRO 400 Ca -0.43 -0.18 -0.14 0.00 0.11 0.00 0.00 66.00 65.36 1ubu h PRO 400 Cb 1.24 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.27 1ubu h PRO 400 CO 0.96 0.73 -0.42 0.87 -0.21 0.00 0.00 178.00 179.92 1ubu h LYS 401 N 0.66 0.68 -0.66 1.05 1.79 -1.99 -0.69 116.57 117.42 1ubu h LYS 401 Ca 0.13 -0.43 -0.03 0.00 -2.18 0.00 0.00 60.65 58.14 1ubu h LYS 401 Cb 0.42 0.05 -0.03 0.00 -1.58 0.00 0.00 32.23 31.10 1ubu h LYS 401 CO 0.02 1.05 0.30 0.28 -1.08 0.00 0.00 179.45 180.02 1ubu h VAL 402 N 0.39 1.23 -0.69 0.50 2.07 -1.92 -1.31 116.25 116.52 1ubu h VAL 402 Ca 0.01 -0.67 -0.05 0.00 0.82 0.00 0.00 66.70 66.81 1ubu h VAL 402 Cb 1.03 0.45 -0.03 0.00 -1.52 0.00 0.00 31.29 31.22 1ubu h VAL 402 CO 0.09 0.27 0.23 0.50 0.02 0.00 0.00 177.57 178.69 1ubu h LYS 403 N 0.91 1.06 -0.42 1.57 3.64 -0.80 0.02 116.57 122.55 1ubu h LYS 403 Ca 0.22 -0.22 -0.03 0.00 -1.27 0.00 0.00 60.65 59.35 1ubu h LYS 403 Cb 0.15 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 31.79 1ubu h LYS 403 CO -0.02 0.91 0.14 0.00 -2.27 0.00 0.00 179.45 178.20 1ubu h ALA 404 N 1.10 0.55 0.00 5.00 0.00 -0.73 -1.20 119.26 123.98 1ubu h ALA 404 Ca 0.22 -0.16 -0.10 0.00 0.00 0.00 0.00 54.91 54.87 1ubu h ALA 404 Cb 0.28 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 1ubu h ALA 404 CO -0.01 0.19 -0.85 -0.39 0.00 0.00 0.00 179.25 178.19 1ubu h VAL 405 N 0.54 0.50 -0.10 0.00 -1.51 -1.11 -2.58 116.25 111.98 1ubu h VAL 405 Ca 0.14 -1.81 -0.18 0.00 -1.23 0.00 0.00 66.70 63.62 1ubu h VAL 405 Cb 0.25 2.09 -0.00 0.00 -2.13 0.00 0.00 31.29 31.49 1ubu h VAL 405 CO -0.01 0.28 -0.70 0.71 -1.23 0.00 0.00 177.57 176.63 1ubu h THR 406 N 0.00 1.36 -0.74 7.19 1.35 -0.81 -1.29 112.91 119.97 1ubu h THR 406 Ca -0.06 -2.06 0.08 0.00 -0.55 0.00 0.00 66.41 63.81 1ubu h THR 406 Cb 1.35 2.04 -0.06 0.00 -1.73 0.00 0.00 68.15 69.75 1ubu h THR 406 CO 0.04 0.62 0.41 0.44 -0.25 0.00 0.00 175.52 176.79 1ubu h ASP 407 N 0.31 0.59 -0.28 5.36 3.32 -1.26 -0.81 116.42 123.65 1ubu h ASP 407 Ca -0.02 0.04 -0.13 0.00 0.02 0.00 0.00 57.03 56.94 1ubu h ASP 407 Cb 1.26 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 40.73 1ubu h ASP 407 CO 0.12 0.36 -0.29 0.00 -1.72 0.00 0.00 179.24 177.71 1ubu h ALA 408 N 1.40 0.80 -0.28 3.45 0.00 -1.07 0.61 119.26 124.17 1ubu h ALA 408 Ca 0.35 -0.40 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 1ubu h ALA 408 Cb 0.28 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1ubu h ALA 408 CO -0.22 0.65 0.13 0.28 0.00 0.00 0.00 179.25 180.09 1ubu h VAL 409 N 0.67 1.15 -0.38 0.00 2.07 -0.66 0.64 116.25 119.73 1ubu h VAL 409 Ca 0.08 -0.44 0.06 0.00 0.82 0.00 0.00 66.70 67.21 1ubu h VAL 409 Cb 0.82 0.93 -0.05 0.00 -1.52 0.00 0.00 31.29 31.47 1ubu h VAL 409 CO 0.07 0.16 0.09 -0.07 0.02 0.00 0.00 177.57 177.84 1ubu h LEU 410 N 0.31 0.05 -0.68 2.57 4.07 -1.00 -1.33 115.31 119.30 1ubu h LEU 410 Ca 0.10 0.06 -0.10 0.00 0.08 0.00 0.00 57.88 58.01 1ubu h LEU 410 Cb 0.13 0.07 -0.02 0.00 1.08 0.00 0.00 40.66 41.92 1ubu h LEU 410 CO -0.01 0.06 -0.06 0.00 -1.08 0.00 0.00 178.44 177.35 1ubu h ALA 411 N 1.28 0.88 -0.69 1.53 0.00 -0.64 -0.95 119.26 120.67 1ubu h ALA 411 Ca 0.18 -0.32 -0.04 0.00 0.00 0.00 0.00 54.91 54.73 1ubu h ALA 411 Cb 0.20 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 1ubu h ALA 411 CO -0.23 0.65 0.25 -0.22 0.00 0.00 0.00 179.25 179.71 1ubu h LYS 412 N 0.88 1.02 0.00 0.00 1.63 -0.39 -2.48 116.57 117.23 1ubu h LYS 412 Ca 0.15 -0.18 0.00 0.00 -0.85 0.00 0.00 60.65 59.77 1ubu h LYS 412 Cb 0.59 -0.17 0.00 0.00 -0.60 0.00 0.00 32.23 32.05 1ubu h LYS 412 CO 0.04 0.85 -0.07 1.28 -3.45 0.00 0.00 179.45 178.09 1ubu n LEU 413 N -4.29 0.47 -1.98 5.20 4.77 -0.54 -4.93 117.00 115.70 1ubu n LEU 413 Ca 0.06 0.49 -0.14 0.00 -0.03 0.00 0.00 56.01 56.39 1ubu n LEU 413 Cb 0.19 -0.38 0.02 0.00 -2.33 0.00 0.00 43.42 40.93 1ubu n LEU 413 CO 0.40 -0.08 0.01 0.61 -1.33 0.00 0.00 177.39 176.99 1ubu n GLY 414 N 1.40 -0.06 3.44 -0.72 0.00 -0.39 -5.00 105.19 103.85 1ubu n GLY 414 Ca 0.06 -0.21 -0.22 0.00 0.00 0.00 0.00 46.02 45.65 1ubu n GLY 414 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1ubu s VAL 415 N -2.94 1.86 0.64 1.61 -7.23 -1.00 -5.06 120.40 108.28 1ubu s VAL 415 Ca 0.19 -2.19 -0.02 0.00 -1.81 0.00 0.00 61.98 58.15 1ubu s VAL 415 Cb -0.09 -2.39 0.06 0.00 0.56 0.00 0.00 36.38 34.52 1ubu s VAL 415 CO 0.24 -0.35 0.91 -0.83 -0.31 0.00 0.00 175.10 174.76 1ubu s GLY 416 N -3.46 1.77 0.58 2.32 0.00 -1.26 -4.60 107.32 102.67 1ubu s GLY 416 Ca 0.29 -1.23 0.36 0.00 0.00 0.00 0.00 44.72 44.14 1ubu s GLY 416 CO 0.12 -0.85 2.12 -0.56 0.00 0.00 0.00 173.10 173.94 1ubu h PRO 417 N -0.31 0.00 0.00 2.90 0.13 -2.01 -1.41 132.00 131.29 1ubu h PRO 417 Ca -0.42 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.70 1ubu h PRO 417 Cb 1.30 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.43 1ubu h PRO 417 CO 0.53 0.02 -0.02 0.93 -0.23 0.00 0.00 178.00 179.24 1ubu h GLU 418 N 0.00 0.00 0.00 0.86 3.07 -2.00 -0.08 114.58 116.42 1ubu h GLU 418 Ca -0.00 0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1ubu h GLU 418 Cb 0.33 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.24 1ubu h GLU 418 CO 0.00 0.02 -0.01 0.00 -1.40 0.00 0.00 179.01 177.62 1ubu h ALA 419 N 1.98 1.02 0.00 3.43 0.00 -1.59 -2.49 119.26 121.61 1ubu h ALA 419 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1ubu h ALA 419 Cb 0.07 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1ubu h ALA 419 CO 0.00 0.01 0.00 -0.07 0.00 0.00 0.00 179.25 179.19 1ubu h LEU 420 N 0.00 0.00 -6.30 0.00 3.38 -1.19 -3.31 115.31 107.89 1ubu h LEU 420 Ca -0.00 0.00 -0.75 0.00 0.09 0.00 0.00 57.88 57.22 1ubu h LEU 420 Cb 0.27 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 40.88 1ubu h LEU 420 CO 0.00 0.00 2.21 0.49 0.09 0.00 0.00 178.44 181.23 1ubu n PHE 421 N -2.92 2.95 -3.74 1.13 3.72 -0.94 -3.93 117.46 113.73 1ubu n PHE 421 Ca 0.01 -2.81 -0.03 0.00 -0.05 0.00 0.00 57.45 54.57 1ubu n PHE 421 Cb 0.29 -2.01 -0.01 0.00 -0.94 0.00 0.00 39.48 36.81 1ubu n PHE 421 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 1ubu s SER 422 N 1.07 -0.14 0.19 4.37 1.04 -1.26 -3.78 113.70 115.20 1ubu s SER 422 Ca 0.42 -0.38 -0.12 0.00 0.48 0.00 0.00 55.95 56.35 1ubu s SER 422 Cb 0.11 0.43 0.16 0.00 0.10 0.00 0.00 66.02 66.83 1ubu s SER 422 CO -0.01 -0.81 1.81 0.74 0.98 0.00 0.00 173.24 175.94 1ubu h THR 423 N 2.00 1.00 -0.30 2.02 2.02 -0.69 0.11 112.91 119.08 1ubu h THR 423 Ca -0.25 -0.21 -0.01 0.00 0.77 0.00 0.00 66.41 66.70 1ubu h THR 423 Cb 1.22 0.32 -0.01 0.00 -1.74 0.00 0.00 68.15 67.94 1ubu h THR 423 CO 0.27 0.11 0.16 0.25 0.37 0.00 0.00 175.52 176.68 1ubu h LEU 424 N 0.62 0.38 -1.09 2.58 7.12 -1.68 -2.06 115.31 121.18 1ubu h LEU 424 Ca 0.25 -0.10 -0.07 0.00 0.13 0.00 0.00 57.88 58.09 1ubu h LEU 424 Cb 0.10 -0.10 -0.02 0.00 -0.53 0.00 0.00 40.66 40.12 1ubu h LEU 424 CO -0.14 0.37 -0.08 1.23 -0.13 0.00 0.00 178.44 179.68 1ubu h GLY 425 N 0.36 0.59 0.99 3.75 0.00 -1.49 -0.31 103.07 106.96 1ubu h GLY 425 Ca 0.10 -0.39 -0.06 0.00 0.00 0.00 0.00 47.33 46.98 1ubu h GLY 425 CO -0.02 0.37 0.08 -0.09 0.00 0.00 0.00 176.54 176.88 1ubu h ARG 426 N 0.51 0.83 -0.79 4.80 2.43 -0.66 0.13 114.38 121.64 1ubu h ARG 426 Ca 0.10 -0.22 -0.05 0.00 -0.81 0.00 0.00 59.98 59.00 1ubu h ARG 426 Cb 0.46 -0.10 -0.03 0.00 -0.42 0.00 0.00 29.97 29.88 1ubu h ARG 426 CO 0.02 0.83 0.31 1.15 -1.51 0.00 0.00 179.97 180.77 1ubu h THR 427 N 0.71 1.26 -0.48 0.20 2.02 -0.96 -1.73 112.91 113.93 1ubu h THR 427 Ca 0.15 -0.82 -0.10 0.00 0.77 0.00 0.00 66.41 66.41 1ubu h THR 427 Cb 0.40 0.32 -0.02 0.00 -1.74 0.00 0.00 68.15 67.12 1ubu h THR 427 CO 0.01 0.34 -0.11 0.00 0.37 0.00 0.00 175.52 176.13 1ubu h ALA 428 N 1.19 0.90 -0.47 6.16 0.00 -0.74 -2.78 119.26 123.53 1ubu h ALA 428 Ca 0.26 -0.33 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 1ubu h ALA 428 Cb 0.22 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 1ubu h ALA 428 CO -0.02 0.63 0.17 0.00 0.00 0.00 0.00 179.25 180.03 1ubu h ALA 429 N 1.08 1.42 -0.74 0.00 0.00 -0.40 0.36 119.26 120.98 1ubu h ALA 429 Ca 0.13 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1ubu h ALA 429 Cb 0.62 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.19 1ubu h ALA 429 CO 0.04 0.43 0.36 -0.09 0.00 0.00 0.00 179.25 180.00 1ubu h ARG 430 N 0.67 1.05 -0.35 0.00 2.43 -1.06 -0.05 114.38 117.07 1ubu h ARG 430 Ca 0.16 -0.15 -0.05 0.00 -0.81 0.00 0.00 59.98 59.13 1ubu h ARG 430 Cb 0.16 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 29.51 1ubu h ARG 430 CO -0.01 0.82 0.01 0.78 -1.51 0.00 0.00 179.97 180.05 1ubu h GLY 431 N 1.03 0.67 0.62 2.80 0.00 -1.09 -2.27 103.07 104.83 1ubu h GLY 431 Ca 0.25 -0.48 0.06 0.00 0.00 0.00 0.00 47.33 47.16 1ubu h GLY 431 CO -0.03 0.44 0.22 -2.22 0.00 0.00 0.00 176.54 174.95 1ubu h ILE 432 N 0.43 0.89 -0.24 2.60 2.04 -0.52 -0.75 117.51 121.96 1ubu h ILE 432 Ca 0.10 -0.15 -0.09 0.00 1.00 0.00 0.00 64.86 65.72 1ubu h ILE 432 Cb 0.44 0.42 -0.01 0.00 -0.74 0.00 0.00 36.82 36.93 1ubu h ILE 432 CO 0.02 0.08 -0.24 -0.08 0.00 0.00 0.00 178.15 177.92 1ubu h GLU 433 N 0.43 0.45 -0.54 2.37 4.81 -1.01 -1.11 114.58 119.98 1ubu h GLU 433 Ca 0.24 -0.16 -0.02 0.00 -0.13 0.00 0.00 59.36 59.28 1ubu h GLU 433 Cb 0.21 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.53 1ubu h GLU 433 CO -0.21 0.66 0.25 1.15 -0.73 0.00 0.00 179.01 180.14 1ubu h THR 434 N 0.40 1.20 -0.36 0.32 2.02 -0.66 0.10 112.91 115.94 1ubu h THR 434 Ca 0.06 -0.59 -0.12 0.00 0.77 0.00 0.00 66.41 66.53 1ubu h THR 434 Cb 0.65 0.59 -0.01 0.00 -1.74 0.00 0.00 68.15 67.64 1ubu h THR 434 CO 0.05 0.23 -0.24 0.00 0.37 0.00 0.00 175.52 175.93 1ubu h ALA 435 N 1.09 0.52 -0.20 6.16 0.00 -0.66 0.38 119.26 126.55 1ubu h ALA 435 Ca 0.18 -0.39 -0.02 0.00 0.00 0.00 0.00 54.91 54.68 1ubu h ALA 435 Cb 0.13 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1ubu h ALA 435 CO -0.02 0.50 0.03 0.28 0.00 0.00 0.00 179.25 180.04 1ubu h VAL 436 N 0.59 1.23 -0.47 0.00 2.07 -1.07 -2.42 116.25 116.18 1ubu h VAL 436 Ca 0.07 -0.75 -0.06 0.00 0.82 0.00 0.00 66.70 66.78 1ubu h VAL 436 Cb 0.80 1.34 -0.02 0.00 -1.52 0.00 0.00 31.29 31.89 1ubu h VAL 436 CO 0.07 0.23 0.03 0.40 0.02 0.00 0.00 177.57 178.32 1ubu h ILE 437 N 0.12 1.23 -0.87 4.57 2.04 -0.70 -0.54 117.51 123.37 1ubu h ILE 437 Ca 0.06 -0.93 0.03 0.00 1.00 0.00 0.00 64.86 65.02 1ubu h ILE 437 Cb 0.32 0.84 -0.05 0.00 -0.74 0.00 0.00 36.82 37.19 1ubu h ILE 437 CO 0.00 0.33 0.57 0.00 0.00 0.00 0.00 178.15 179.05 1ubu h ALA 438 N 1.31 1.15 -0.27 1.87 0.00 -0.77 0.62 119.26 123.18 1ubu h ALA 438 Ca 0.15 -0.04 -0.12 0.00 0.00 0.00 0.00 54.91 54.90 1ubu h ALA 438 Cb 0.40 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 1ubu h ALA 438 CO 0.01 0.42 -0.30 1.49 0.00 0.00 0.00 179.25 180.87 1ubu h GLU 439 N 1.10 0.67 0.00 0.00 4.81 -1.10 -3.20 114.58 116.87 1ubu h GLU 439 Ca 0.35 -0.37 -0.06 0.00 -0.13 0.00 0.00 59.36 59.15 1ubu h GLU 439 Cb -0.01 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.38 1ubu h GLU 439 CO -0.11 0.98 -0.30 -0.92 -0.73 0.00 0.00 179.01 177.92 1ubu h TYR 440 N 0.40 0.00 -0.73 0.92 3.20 -0.39 -1.76 116.97 118.61 1ubu h TYR 440 Ca 0.04 0.00 0.11 0.00 3.14 0.00 0.00 58.73 62.02 1ubu h TYR 440 Cb 0.87 0.00 -0.05 0.00 1.54 0.00 0.00 36.73 39.09 1ubu h TYR 440 CO 0.08 0.30 0.48 0.28 -1.64 0.00 0.00 178.16 177.66 1ubu h VAL 441 N 0.00 0.88 -0.62 1.81 2.07 -0.89 0.03 116.25 119.53 1ubu h VAL 441 Ca -0.00 -0.19 -0.09 0.00 0.82 0.00 0.00 66.70 67.24 1ubu h VAL 441 Cb 0.59 0.29 -0.02 0.00 -1.52 0.00 0.00 31.29 30.63 1ubu h VAL 441 CO 0.04 0.10 0.05 1.23 0.02 0.00 0.00 177.57 179.01 1ubu h GLY 442 N 0.55 1.14 0.77 2.17 0.00 -1.43 0.42 103.07 106.69 1ubu h GLY 442 Ca 0.35 -0.79 -0.00 0.00 0.00 0.00 0.00 47.33 46.89 1ubu h GLY 442 CO -0.12 0.73 0.01 -2.08 0.00 0.00 0.00 176.54 175.07 1ubu h VAL 443 N 0.98 1.20 -0.96 4.60 2.07 -1.10 -0.63 116.25 122.40 1ubu h VAL 443 Ca 0.18 -0.59 0.09 0.00 0.82 0.00 0.00 66.70 67.21 1ubu h VAL 443 Cb 0.49 1.54 -0.07 0.00 -1.52 0.00 0.00 31.29 31.73 1ubu h VAL 443 CO 0.02 0.16 0.61 0.24 0.02 0.00 0.00 177.57 178.62 1ubu h MET 444 N -0.19 0.97 -0.55 1.57 2.86 -0.86 -1.12 114.93 117.60 1ubu h MET 444 Ca 0.01 -0.06 -0.05 0.00 -2.06 0.00 0.00 59.70 57.54 1ubu h MET 444 Cb 0.25 -0.22 -0.02 0.00 0.06 0.00 0.00 31.60 31.67 1ubu h MET 444 CO 0.00 0.64 0.15 1.25 1.06 0.00 0.00 176.91 180.01 1ubu h LEU 445 N 1.00 0.82 -0.70 1.22 6.46 -0.63 -0.92 115.31 122.56 1ubu h LEU 445 Ca 0.44 -0.22 -0.06 0.00 -0.12 0.00 0.00 57.88 57.92 1ubu h LEU 445 Cb 0.36 -0.22 -0.03 0.00 -0.73 0.00 0.00 40.66 40.05 1ubu h LEU 445 CO -0.20 0.83 0.20 -0.61 -0.62 0.00 0.00 178.44 178.04 1ubu h GLN 446 N 0.78 1.10 -0.38 1.25 5.75 -0.53 0.71 115.11 123.79 1ubu h GLN 446 Ca 0.18 -0.25 -0.07 0.00 -0.15 0.00 0.00 58.65 58.35 1ubu h GLN 446 Cb 0.32 -0.15 -0.02 0.00 1.07 0.00 0.00 27.48 28.69 1ubu h GLN 446 CO -0.00 0.96 -0.07 0.93 -2.65 0.00 0.00 178.83 178.00 1ubu h GLU 447 N 1.04 0.63 0.23 1.69 5.08 -0.79 0.12 114.58 122.59 1ubu h GLU 447 Ca 0.22 -0.18 -0.01 0.00 -1.00 0.00 0.00 59.36 58.40 1ubu h GLU 447 Cb 0.33 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.52 1ubu h GLU 447 CO -0.00 0.70 -0.11 -0.92 -1.00 0.00 0.00 179.01 177.68 1ubu h TYR 448 N 0.59 -0.29 -0.68 4.33 -0.00 -0.87 -0.25 116.97 119.80 1ubu h TYR 448 Ca 0.11 -0.01 0.09 0.00 -0.00 0.00 0.00 58.73 58.92 1ubu h TYR 448 Cb 0.47 0.09 -0.07 0.00 -0.00 0.00 0.00 36.73 37.23 1ubu h TYR 448 CO 0.02 -0.02 0.32 0.87 -0.00 0.00 0.00 178.16 179.35 1ubu h LYS 449 N -0.53 0.54 -0.57 1.82 1.57 -0.56 -1.17 116.57 117.65 1ubu h LYS 449 Ca -0.03 -0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 58.70 1ubu h LYS 449 Cb 0.40 -0.12 -0.03 0.00 0.08 0.00 0.00 32.23 32.56 1ubu h LYS 449 CO 0.05 0.35 0.29 -0.44 -0.57 0.00 0.00 179.45 179.13 1ubu h ASP 450 N 0.55 0.72 -0.29 0.86 3.45 -0.42 -1.22 116.42 120.07 1ubu h ASP 450 Ca 0.33 -0.06 -0.18 0.00 0.43 0.00 0.00 57.03 57.55 1ubu h ASP 450 Cb 0.36 -0.18 0.00 0.00 -0.56 0.00 0.00 39.33 38.94 1ubu h ASP 450 CO -0.27 0.60 -0.54 -1.13 -1.57 0.00 0.00 179.24 176.34 1ubu h ASN 451 N 0.80 0.97 -0.79 6.45 -0.00 0.03 -2.07 115.58 120.98 1ubu h ASN 451 Ca 0.20 -0.53 -0.01 0.00 -0.00 0.00 0.00 56.30 55.96 1ubu h ASN 451 Cb 0.07 -0.28 -0.04 0.00 -0.00 0.00 0.00 38.32 38.07 1ubu h ASN 451 CO -0.03 1.32 0.46 0.40 -0.00 0.00 0.00 177.43 179.59 1ubu h ILE 452 N 0.66 1.22 0.00 2.57 2.04 -0.90 -1.89 117.51 121.22 1ubu h ILE 452 Ca 0.02 -0.52 -0.01 0.00 1.00 0.00 0.00 64.86 65.35 1ubu h ILE 452 Cb 1.15 0.12 -0.00 0.00 -0.74 0.00 0.00 36.82 37.34 1ubu h ILE 452 CO 0.12 0.24 -0.05 0.00 0.00 0.00 0.00 178.15 178.46 1ubu h ALA 453 N 1.41 1.07 0.00 1.87 0.00 -0.73 0.16 119.26 123.04 1ubu h ALA 453 Ca 0.28 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.14 1ubu h ALA 453 Cb -0.02 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1ubu h ALA 453 CO -0.05 0.07 0.00 1.63 0.00 0.00 0.00 179.25 180.90 1ubu n LYS 454 N -3.25 0.49 -0.08 0.00 5.02 -0.72 -4.88 118.16 114.74 1ubu n LYS 454 Ca -0.01 0.01 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1ubu n LYS 454 Cb 0.25 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.76 1ubu n LYS 454 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1ubu n GLY 455 N 1.13 0.96 3.47 0.72 0.00 0.04 -5.05 105.19 106.46 1ubu n GLY 455 Ca 0.15 -0.02 -0.43 0.00 0.00 0.00 0.00 46.02 45.71 1ubu n GLY 455 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1ubu s ASP 456 N -2.02 6.24 -0.16 1.61 2.15 -1.16 -4.85 116.67 118.48 1ubu s ASP 456 Ca 0.00 -0.76 0.17 0.00 0.43 0.00 0.00 52.55 52.39 1ubu s ASP 456 Cb 0.00 -2.40 0.47 0.00 -0.30 0.00 0.00 42.92 40.69 1ubu s ASP 456 CO 0.00 -1.27 1.36 -0.46 -0.17 0.00 0.00 175.17 174.63 1ubu n ASN 457 N 7.35 3.54 -4.76 -0.34 2.04 -1.26 -4.28 115.26 117.55 1ubu n ASN 457 Ca -0.02 -2.97 -0.39 0.00 -0.44 0.00 0.00 54.58 50.76 1ubu n ASN 457 Cb 0.46 -0.50 -0.06 0.00 -2.53 0.00 0.00 39.78 37.15 1ubu n ASN 457 CO 0.00 0.00 0.00 -0.69 -0.44 0.00 0.00 177.26 176.13 1ubu s VAL 458 N -2.73 4.90 0.00 3.53 1.01 -1.26 -4.95 120.40 120.90 1ubu s VAL 458 Ca 0.39 1.26 0.00 0.00 0.00 0.00 0.00 61.98 63.63 1ubu s VAL 458 Cb 0.32 -3.94 0.00 0.00 0.00 0.00 0.00 36.38 32.76 1ubu s VAL 458 CO 0.08 0.42 0.00 2.30 0.00 0.00 0.00 175.10 177.90 1ubu n ILE 459 N 2.72 0.00 -3.88 2.22 -5.35 -1.26 -4.17 119.36 109.64 1ubu n ILE 459 Ca -0.07 -0.26 -0.12 0.00 -0.27 0.00 0.00 62.75 62.04 1ubu n ILE 459 Cb 0.51 0.99 -0.13 0.00 -1.74 0.00 0.00 39.64 39.27 1ubu n ILE 459 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1ubu s ALA 461 N -0.19 2.88 0.61 0.00 0.00 -0.21 -4.91 121.76 119.95 1ubu s ALA 461 Ca -0.02 -1.23 -0.14 0.00 0.00 0.00 0.00 51.96 50.57 1ubu s ALA 461 Cb -0.01 -0.87 -0.03 0.00 0.00 0.00 0.00 23.12 22.20 1ubu s ALA 461 CO -0.00 0.62 1.04 -1.25 0.00 0.00 0.00 175.76 176.17 1ubu s PRO 462 N -2.02 3.39 0.22 0.00 0.04 -1.26 -4.57 135.00 130.80 1ubu s PRO 462 Ca 0.20 1.00 -0.19 0.00 0.04 0.00 0.00 61.00 62.04 1ubu s PRO 462 Cb -0.11 -2.05 0.03 0.00 0.04 0.00 0.00 34.50 32.41 1ubu s PRO 462 CO 0.11 -0.74 0.60 1.67 0.04 0.00 0.00 177.00 178.68 1ubu s TRP 463 N -2.80 -0.18 0.03 0.56 1.48 -1.26 -4.94 118.94 111.83 1ubu s TRP 463 Ca 0.59 -0.18 0.04 0.00 -1.06 0.00 0.00 56.10 55.50 1ubu s TRP 463 Cb -0.13 0.51 -0.02 0.00 -1.16 0.00 0.00 33.47 32.67 1ubu s TRP 463 CO 0.44 -1.02 -0.13 -1.21 -4.06 0.00 0.00 176.95 170.98 1ubu s GLU 464 N -3.88 0.89 -0.17 3.25 2.02 -1.26 -5.12 118.70 114.43 1ubu s GLU 464 Ca 0.09 -0.65 -0.27 0.00 0.02 0.00 0.00 54.97 54.17 1ubu s GLU 464 Cb -0.03 -0.87 -0.01 0.00 0.10 0.00 0.00 34.13 33.33 1ubu s GLU 464 CO -0.00 0.22 0.91 1.41 0.02 0.00 0.00 175.26 177.81 1ubu s MET 465 N -0.91 4.32 0.56 1.61 -2.45 -1.26 -4.86 119.30 116.30 1ubu s MET 465 Ca 0.01 1.16 -0.15 0.00 -1.25 0.00 0.00 55.69 55.46 1ubu s MET 465 Cb -0.07 -3.58 -0.06 0.00 1.25 0.00 0.00 34.83 32.37 1ubu s MET 465 CO 0.01 -0.38 1.02 -1.25 1.05 0.00 0.00 175.02 175.46 1ubu s PRO 466 N 2.33 3.66 0.16 4.11 0.04 -1.26 -4.96 135.00 139.07 1ubu s PRO 466 Ca 0.41 1.00 -0.03 0.00 0.04 0.00 0.00 61.00 62.43 1ubu s PRO 466 Cb -0.17 -2.09 -0.01 0.00 0.04 0.00 0.00 34.50 32.27 1ubu s PRO 466 CO 0.12 -0.51 1.38 0.87 0.04 0.00 0.00 177.00 178.90 1ubu h LYS 467 N 0.54 0.40 -4.23 4.56 1.79 -1.93 -3.36 116.57 114.34 1ubu h LYS 467 Ca -0.46 -0.37 -0.40 0.00 -2.18 0.00 0.00 60.65 57.24 1ubu h LYS 467 Cb 1.20 0.09 -0.32 0.00 -1.58 0.00 0.00 32.23 31.62 1ubu h LYS 467 CO 0.60 1.03 -0.77 -1.14 -1.08 0.00 0.00 179.45 178.08 1ubu s GLN 468 N -3.46 0.78 -0.08 3.15 0.74 -1.26 0.06 119.66 119.58 1ubu s GLN 468 Ca -0.06 -0.17 -0.31 0.00 0.05 0.00 0.00 55.36 54.87 1ubu s GLN 468 Cb 0.10 -0.76 0.12 0.00 1.10 0.00 0.00 33.01 33.56 1ubu s GLN 468 CO 0.85 0.01 1.01 0.00 -0.55 0.00 0.00 175.29 176.62 1ubu s ALA 469 N 0.51 -1.92 0.03 1.58 0.00 -0.82 -4.98 121.76 116.15 1ubu s ALA 469 Ca -0.07 1.25 0.07 0.00 0.00 0.00 0.00 51.96 53.21 1ubu s ALA 469 Cb -0.11 0.20 -0.02 0.00 0.00 0.00 0.00 23.12 23.19 1ubu s ALA 469 CO 0.00 -0.65 -0.21 -1.83 0.00 0.00 0.00 175.76 173.07 1ubu s GLU 470 N -2.84 1.51 0.07 0.00 -1.05 -1.26 0.29 118.70 115.41 1ubu s GLU 470 Ca 0.07 -0.91 -0.07 0.00 -0.15 0.00 0.00 54.97 53.91 1ubu s GLU 470 Cb -0.01 -1.58 -0.01 0.00 -0.44 0.00 0.00 34.13 32.09 1ubu s GLU 470 CO -0.07 0.41 0.13 0.20 0.95 0.00 0.00 175.26 176.88 1ubu s GLY 471 N -1.01 0.18 -0.02 -3.83 0.00 -0.47 -4.39 107.32 97.78 1ubu s GLY 471 Ca 0.08 -0.69 -0.05 0.00 0.00 0.00 0.00 44.72 44.05 1ubu s GLY 471 CO 0.01 -0.86 0.12 0.54 0.00 0.00 0.00 173.10 172.91 1ubu s VAL 472 N -3.54 0.05 -0.03 1.40 0.11 -1.26 -0.55 120.40 116.58 1ubu s VAL 472 Ca 0.03 -0.37 0.04 0.00 -2.93 0.00 0.00 61.98 58.75 1ubu s VAL 472 Cb 0.04 -0.29 -0.01 0.00 -1.53 0.00 0.00 36.38 34.59 1ubu s VAL 472 CO -0.09 -0.21 -0.16 -0.83 -3.33 0.00 0.00 175.10 170.48 1ubu s GLY 473 N -0.67 0.85 -0.12 6.54 0.00 -0.14 -4.24 107.32 109.54 1ubu s GLY 473 Ca -0.08 -0.66 0.03 0.00 0.00 0.00 0.00 44.72 44.02 1ubu s GLY 473 CO 0.01 -0.40 -0.23 -1.36 0.00 0.00 0.00 173.10 171.12 1ubu s PHE 474 N -0.08 2.62 -0.03 1.90 0.40 -1.26 -1.58 117.98 119.95 1ubu s PHE 474 Ca -0.00 -1.17 0.03 0.00 -0.60 0.00 0.00 56.93 55.18 1ubu s PHE 474 Cb -0.10 -1.76 0.00 0.00 0.51 0.00 0.00 43.02 41.67 1ubu s PHE 474 CO 0.01 -0.50 -0.11 0.08 0.70 0.00 0.00 175.22 175.40 1ubu s VAL 475 N 0.56 0.95 -0.51 -0.44 1.01 -0.10 -4.95 120.40 116.92 1ubu s VAL 475 Ca -0.13 -0.45 -0.17 0.00 0.00 0.00 0.00 61.98 61.23 1ubu s VAL 475 Cb -0.17 -0.84 0.08 0.00 0.00 0.00 0.00 36.38 35.44 1ubu s VAL 475 CO 0.04 0.29 0.54 0.21 0.00 0.00 0.00 175.10 176.18 1ubu s ASN 476 N 0.21 6.19 0.70 3.32 3.84 -1.23 0.28 114.94 128.24 1ubu s ASN 476 Ca -0.04 -1.22 -0.06 0.00 0.21 0.00 0.00 52.86 51.74 1ubu s ASN 476 Cb -0.10 -2.24 0.07 0.00 -0.55 0.00 0.00 41.25 38.42 1ubu s ASN 476 CO 0.01 -0.83 1.00 0.00 -2.79 0.00 0.00 177.10 174.50 1ubu s ALA 477 N 2.17 3.21 0.62 1.71 0.00 0.26 -4.88 121.76 124.85 1ubu s ALA 477 Ca 0.09 -1.00 0.29 0.00 0.00 0.00 0.00 51.96 51.34 1ubu s ALA 477 Cb -0.23 -2.54 1.56 0.00 0.00 0.00 0.00 23.12 21.91 1ubu s ALA 477 CO 0.08 -1.30 1.93 -1.35 0.00 0.00 0.00 175.76 175.12 1ubu h PRO 478 N -0.58 0.00 -0.02 0.00 0.11 -1.96 -0.44 132.00 129.11 1ubu h PRO 478 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1ubu h PRO 478 Cb 1.31 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.42 1ubu h PRO 478 CO 0.58 0.00 -0.19 0.54 -0.21 0.00 0.00 178.00 178.72 1ubu n ARG 479 N -3.40 1.66 0.00 1.05 1.74 -1.26 -4.27 116.66 112.19 1ubu n ARG 479 Ca 0.03 -1.34 0.00 0.00 -0.77 0.00 0.00 57.85 55.78 1ubu n ARG 479 Cb 0.51 -1.39 0.00 0.00 -1.02 0.00 0.00 32.46 30.57 1ubu n ARG 479 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1ubu n GLY 480 N 1.22 0.51 3.64 -0.13 0.00 -0.18 -2.55 105.19 107.70 1ubu n GLY 480 Ca 0.10 -2.01 -0.43 0.00 0.00 0.00 0.00 46.02 43.69 1ubu n GLY 480 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ubu s GLY 481 N 0.00 1.49 -0.15 -0.02 0.00 -1.26 -0.57 107.32 106.81 1ubu s GLY 481 Ca 0.00 0.13 -0.05 0.00 0.00 0.00 0.00 44.72 44.80 1ubu s GLY 481 CO 0.00 2.47 0.03 -2.27 0.00 0.00 0.00 173.10 173.33 1ubu s LEU 482 N 3.98 3.66 -0.01 0.66 2.96 0.14 -3.42 118.68 126.67 1ubu s LEU 482 Ca 0.53 0.07 -0.00 0.00 -0.22 0.00 0.00 54.13 54.50 1ubu s LEU 482 Cb -0.16 -1.89 0.00 0.00 0.50 0.00 0.00 46.19 44.63 1ubu s LEU 482 CO 0.19 0.23 0.02 -0.94 -1.32 0.00 0.00 176.35 174.53 1ubu s SER 483 N -0.00 -0.01 -0.08 3.68 1.04 -0.40 -0.93 113.70 117.00 1ubu s SER 483 Ca 0.04 0.03 0.03 0.00 0.48 0.00 0.00 55.95 56.53 1ubu s SER 483 Cb -0.13 0.02 -0.02 0.00 0.10 0.00 0.00 66.02 66.00 1ubu s SER 483 CO 0.01 -0.01 -0.16 -1.00 0.98 0.00 0.00 173.24 173.06 1ubu s HIS 484 N 0.07 2.68 -0.10 5.02 3.76 -0.61 -1.12 115.29 124.99 1ubu s HIS 484 Ca -0.01 -0.46 0.01 0.00 -0.15 0.00 0.00 55.06 54.45 1ubu s HIS 484 Cb -0.01 -1.70 0.02 0.00 1.11 0.00 0.00 32.58 32.00 1ubu s HIS 484 CO -0.00 -0.05 -0.10 -1.58 -0.85 0.00 0.00 174.74 172.16 1ubu s TRP 485 N -0.22 1.56 0.04 1.40 0.52 0.21 -0.97 118.94 121.49 1ubu s TRP 485 Ca -0.00 -0.72 0.09 0.00 0.02 0.00 0.00 56.10 55.49 1ubu s TRP 485 Cb -0.13 -1.21 -0.03 0.00 -1.15 0.00 0.00 33.47 30.95 1ubu s TRP 485 CO 0.03 -0.44 -0.25 -1.50 0.02 0.00 0.00 176.95 174.81 1ubu s ILE 486 N 1.27 2.03 -0.23 2.03 2.07 0.29 -0.70 121.20 127.96 1ubu s ILE 486 Ca -0.03 -1.33 -0.02 0.00 -1.41 0.00 0.00 60.65 57.86 1ubu s ILE 486 Cb -0.14 -1.74 0.02 0.00 0.13 0.00 0.00 42.46 40.73 1ubu s ILE 486 CO -0.04 0.34 -0.07 -0.60 -1.91 0.00 0.00 174.94 172.66 1ubu s ARG 487 N -1.19 3.00 -0.17 3.50 3.52 0.26 -1.36 118.95 126.50 1ubu s ARG 487 Ca 0.11 -0.86 -0.14 0.00 -0.13 0.00 0.00 55.73 54.70 1ubu s ARG 487 Cb -0.10 -2.95 -0.04 0.00 -1.56 0.00 0.00 34.95 30.30 1ubu s ARG 487 CO 0.02 -0.32 0.32 0.42 -0.81 0.00 0.00 175.30 174.93 1ubu s ILE 488 N 1.36 5.28 -0.07 4.11 1.01 0.14 -0.23 121.20 132.80 1ubu s ILE 488 Ca 0.02 0.60 -0.00 0.00 0.00 0.00 0.00 60.65 61.27 1ubu s ILE 488 Cb -0.16 -3.66 0.02 0.00 0.01 0.00 0.00 42.46 38.68 1ubu s ILE 488 CO -0.05 0.35 -0.04 -0.70 0.00 0.00 0.00 174.94 174.50 1ubu s GLU 489 N 0.68 1.01 -1.52 2.79 2.56 -0.32 -1.95 118.70 121.94 1ubu s GLU 489 Ca 0.17 -0.09 -0.05 0.00 0.00 0.00 0.00 54.97 55.00 1ubu s GLU 489 Cb -0.13 -1.14 0.02 0.00 2.00 0.00 0.00 34.13 34.87 1ubu s GLU 489 CO 0.05 -0.21 0.50 -3.47 -0.56 0.00 0.00 175.26 171.58 1ubu n ASP 490 N 4.68 -5.66 0.00 -1.70 4.64 0.52 -1.25 116.55 117.79 1ubu n ASP 490 Ca -0.15 -0.25 0.00 0.00 -1.38 0.00 0.00 54.79 53.01 1ubu n ASP 490 Cb 0.50 -4.60 0.00 0.00 -1.04 0.00 0.00 41.12 35.98 1ubu n ASP 490 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 1ubu n GLY 491 N -1.39 0.31 3.73 0.27 0.00 0.11 -4.97 105.19 103.25 1ubu n GLY 491 Ca -0.11 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.66 1ubu n GLY 491 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ubu s LYS 492 N -0.89 2.20 -0.44 1.61 -0.14 -0.38 -4.48 119.74 117.23 1ubu s LYS 492 Ca 0.00 -1.87 -0.28 0.00 -1.36 0.00 0.00 55.97 52.46 1ubu s LYS 492 Cb 0.00 -1.95 0.01 0.00 -1.68 0.00 0.00 37.83 34.21 1ubu s LYS 492 CO 0.00 -0.11 1.46 0.42 -0.76 0.00 0.00 175.35 176.36 1ubu s ILE 493 N -2.61 3.82 -0.01 2.17 1.01 0.13 -1.17 121.20 124.54 1ubu s ILE 493 Ca 0.41 0.81 -0.17 0.00 0.00 0.00 0.00 60.65 61.70 1ubu s ILE 493 Cb 0.04 -4.19 -0.34 0.00 0.01 0.00 0.00 42.46 37.99 1ubu s ILE 493 CO 0.22 -0.81 0.90 1.23 0.00 0.00 0.00 174.94 176.49 1ubu h GLY 494 N 12.64 0.51 -5.26 6.18 0.00 -0.87 0.17 103.07 116.44 1ubu h GLY 494 Ca -0.28 -1.30 -0.16 0.00 0.00 0.00 0.00 47.33 45.59 1ubu h GLY 494 CO 1.10 1.14 -0.40 0.21 0.00 0.00 0.00 176.54 178.59 1ubu s ASN 495 N -7.36 -0.25 -0.05 0.19 3.84 -0.91 -4.82 114.94 105.58 1ubu s ASN 495 Ca -0.12 0.46 -0.02 0.00 0.21 0.00 0.00 52.86 53.39 1ubu s ASN 495 Cb 0.03 0.50 0.03 0.00 -0.55 0.00 0.00 41.25 41.27 1ubu s ASN 495 CO 0.89 -0.13 0.04 0.12 -2.79 0.00 0.00 177.10 175.24 1ubu s PHE 496 N -0.05 0.23 -0.07 0.43 2.19 -1.26 -0.58 117.98 118.87 1ubu s PHE 496 Ca -0.02 0.14 0.03 0.00 0.33 0.00 0.00 56.93 57.41 1ubu s PHE 496 Cb -0.02 -0.57 0.00 0.00 -1.31 0.00 0.00 43.02 41.12 1ubu s PHE 496 CO 0.01 -0.23 -0.17 -0.65 1.83 0.00 0.00 175.22 176.00 1ubu s GLN 497 N 2.12 2.13 -0.18 10.12 -1.52 0.12 -4.71 119.66 127.74 1ubu s GLN 497 Ca 0.05 -0.61 -0.08 0.00 -1.95 0.00 0.00 55.36 52.76 1ubu s GLN 497 Cb -0.12 -1.72 -0.04 0.00 -0.22 0.00 0.00 33.01 30.90 1ubu s GLN 497 CO -0.04 0.14 0.09 -0.51 -0.25 0.00 0.00 175.29 174.72 1ubu s LEU 498 N 0.38 4.00 -0.23 2.90 1.43 -1.26 -0.62 118.68 125.27 1ubu s LEU 498 Ca -0.13 0.16 0.01 0.00 -1.03 0.00 0.00 54.13 53.15 1ubu s LEU 498 Cb -0.15 -2.02 0.05 0.00 0.03 0.00 0.00 46.19 44.11 1ubu s LEU 498 CO 0.05 0.20 -0.08 -0.69 0.23 0.00 0.00 176.35 176.05 1ubu s VAL 499 N 0.24 1.71 0.16 -1.59 1.01 -0.27 -5.03 120.40 116.64 1ubu s VAL 499 Ca 0.06 -1.26 0.08 0.00 0.00 0.00 0.00 61.98 60.87 1ubu s VAL 499 Cb -0.12 -1.89 -0.04 0.00 0.00 0.00 0.00 36.38 34.33 1ubu s VAL 499 CO -0.00 -0.01 -0.09 -0.69 0.00 0.00 0.00 175.10 174.31 1ubu s VAL 500 N 1.33 3.25 0.21 2.92 1.01 -1.26 -1.28 120.40 126.58 1ubu s VAL 500 Ca -0.05 -1.55 -0.09 0.00 0.00 0.00 0.00 61.98 60.28 1ubu s VAL 500 Cb -0.18 -2.59 0.16 0.00 0.00 0.00 0.00 36.38 33.76 1ubu s VAL 500 CO -0.06 -0.06 1.72 -0.65 0.00 0.00 0.00 175.10 176.05 1ubu h PRO 501 N 3.07 0.32 0.00 2.72 0.10 -1.83 0.97 132.00 137.36 1ubu h PRO 501 Ca -0.47 -0.02 -0.01 0.00 0.10 0.00 0.00 66.00 65.60 1ubu h PRO 501 Cb 1.19 -0.07 -0.00 0.00 0.10 0.00 0.00 31.00 32.22 1ubu h PRO 501 CO 0.54 0.21 -0.03 0.77 0.10 0.00 0.00 178.00 179.59 1ubu h SER 502 N 0.33 0.00 -0.28 -2.05 0.02 -1.84 -1.55 113.55 108.19 1ubu h SER 502 Ca 0.32 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 61.25 1ubu h SER 502 Cb 0.44 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.97 1ubu h SER 502 CO -0.36 0.03 0.11 0.74 -1.14 0.00 0.00 176.83 176.21 1ubu h THR 503 N 0.00 1.18 -0.12 -2.27 2.02 -1.02 0.14 112.91 112.84 1ubu h THR 503 Ca -0.00 -0.55 0.03 0.00 0.77 0.00 0.00 66.41 66.66 1ubu h THR 503 Cb 0.34 1.02 -0.03 0.00 -1.74 0.00 0.00 68.15 67.74 1ubu h THR 503 CO 0.00 0.19 -0.06 -0.50 0.37 0.00 0.00 175.52 175.52 1ubu h TRP 504 N 0.30 -0.14 0.16 3.16 4.06 -1.11 -0.52 115.95 121.86 1ubu h TRP 504 Ca 0.09 0.01 -0.29 0.00 2.06 0.00 0.00 58.89 60.76 1ubu h TRP 504 Cb 0.19 0.08 0.01 0.00 -1.00 0.00 0.00 29.16 28.44 1ubu h TRP 504 CO -0.01 -0.10 -1.33 1.15 -3.56 0.00 0.00 178.44 174.60 1ubu h THR 505 N -0.05 1.41 -0.01 1.49 2.02 -1.32 -3.38 112.91 113.07 1ubu h THR 505 Ca 0.07 -2.95 0.00 0.00 0.77 0.00 0.00 66.41 64.30 1ubu h THR 505 Cb 0.15 2.95 0.00 0.00 -1.74 0.00 0.00 68.15 69.51 1ubu h THR 505 CO -0.15 0.87 0.00 0.18 0.37 0.00 0.00 175.52 176.79 1ubu n LEU 506 N -3.57 1.36 -4.50 2.58 7.99 0.47 -1.62 117.00 119.71 1ubu n LEU 506 Ca -0.11 -1.10 -0.28 0.00 -0.01 0.00 0.00 56.01 54.50 1ubu n LEU 506 Cb 1.05 -0.01 0.25 0.00 -0.11 0.00 0.00 43.42 44.60 1ubu n LEU 506 CO 0.55 0.31 0.52 -0.83 -1.51 0.00 0.00 177.39 176.44 1ubu s GLY 507 N -0.33 1.53 0.00 -0.72 0.00 -0.20 -4.81 107.32 102.78 1ubu s GLY 507 Ca 0.04 -0.32 0.00 0.00 0.00 0.00 0.00 44.72 44.44 1ubu s GLY 507 CO 0.04 0.44 0.00 -1.55 0.00 0.00 0.00 173.10 172.03 1ubu n PRO 508 N -4.91 0.39 -1.24 2.90 -0.04 -1.26 -4.49 135.00 126.35 1ubu n PRO 508 Ca 0.04 0.00 -0.32 0.00 -0.04 0.00 0.00 63.50 63.18 1ubu n PRO 508 Cb 0.56 0.00 0.10 0.00 -0.04 0.00 0.00 33.50 34.12 1ubu n PRO 508 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1ubu s ARG 509 N -1.95 1.98 0.24 0.54 0.52 -1.26 -4.29 118.95 114.73 1ubu s ARG 509 Ca 0.00 1.46 0.03 0.00 -0.52 0.00 0.00 55.73 56.70 1ubu s ARG 509 Cb 0.00 -1.84 0.04 0.00 0.52 0.00 0.00 34.95 33.67 1ubu s ARG 509 CO 0.00 -1.89 0.33 0.00 0.02 0.00 0.00 175.30 173.76 1ubu n ASP 511 N -2.78 0.00 -0.93 0.00 3.85 -1.26 -1.27 116.55 114.15 1ubu n ASP 511 Ca 0.06 -1.50 0.08 0.00 -0.71 0.00 0.00 54.79 52.73 1ubu n ASP 511 Cb 0.24 0.00 0.21 0.00 -1.35 0.00 0.00 41.12 40.22 1ubu n ASP 511 CO 0.00 0.00 0.00 0.29 -1.01 0.00 0.00 177.20 176.48 1ubu n LYS 512 N -0.69 2.60 -1.92 0.11 5.02 -1.26 -4.96 118.16 117.06 1ubu n LYS 512 Ca 0.09 -2.22 -0.17 0.00 -2.02 0.00 0.00 58.31 53.98 1ubu n LYS 512 Cb 0.04 -1.40 -0.04 0.00 -0.02 0.00 0.00 35.03 33.61 1ubu n LYS 512 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1ubu n ASN 513 N 1.04 -4.99 -4.71 4.39 5.03 -0.40 -4.96 115.26 110.66 1ubu n ASN 513 Ca 0.17 0.19 -0.42 0.00 0.87 0.00 0.00 54.58 55.38 1ubu n ASN 513 Cb 0.51 -4.03 -0.03 0.00 -1.02 0.00 0.00 39.78 35.21 1ubu n ASN 513 CO 0.00 0.00 0.00 -0.54 -1.83 0.00 0.00 177.26 174.89 1ubu s LYS 514 N -4.16 4.44 0.36 3.52 1.02 -1.26 -4.81 119.74 118.85 1ubu s LYS 514 Ca 0.00 1.65 -0.28 0.00 0.02 0.00 0.00 55.97 57.36 1ubu s LYS 514 Cb 0.00 -3.43 -0.11 0.00 -0.52 0.00 0.00 37.83 33.77 1ubu s LYS 514 CO 0.00 -0.26 1.47 -0.51 -0.92 0.00 0.00 175.35 175.13 1ubu s LEU 515 N 1.36 4.34 0.99 3.17 1.02 -1.26 -3.43 118.68 124.87 1ubu s LEU 515 Ca 0.56 2.99 -0.12 0.00 0.02 0.00 0.00 54.13 57.58 1ubu s LEU 515 Cb -0.26 -3.66 0.18 0.00 0.02 0.00 0.00 46.19 42.47 1ubu s LEU 515 CO 0.27 -0.83 1.09 -0.94 0.02 0.00 0.00 176.35 175.96 1ubu s SER 516 N -0.13 2.69 0.20 2.29 1.04 -1.26 -4.67 113.70 113.87 1ubu s SER 516 Ca 0.53 1.22 -0.10 0.00 0.48 0.00 0.00 55.95 58.08 1ubu s SER 516 Cb -0.46 -1.88 0.27 0.00 0.10 0.00 0.00 66.02 64.05 1ubu s SER 516 CO 0.60 -3.09 1.73 -0.65 0.98 0.00 0.00 173.24 172.81 1ubu h PRO 517 N -1.86 0.33 -0.46 4.02 0.11 -1.78 0.25 132.00 132.60 1ubu h PRO 517 Ca -0.54 -0.02 -0.12 0.00 0.11 0.00 0.00 66.00 65.43 1ubu h PRO 517 Cb 1.32 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 32.35 1ubu h PRO 517 CO 0.57 0.22 -0.20 -0.24 -0.21 0.00 0.00 178.00 178.14 1ubu h VAL 518 N 0.34 1.27 -0.01 3.15 3.04 -1.65 -0.02 116.25 122.37 1ubu h VAL 518 Ca 0.30 -1.35 -0.00 0.00 -1.01 0.00 0.00 66.70 64.64 1ubu h VAL 518 Cb 0.39 1.13 -0.00 0.00 -2.01 0.00 0.00 31.29 30.80 1ubu h VAL 518 CO -0.33 0.46 0.00 -0.33 -1.01 0.00 0.00 177.57 176.37 1ubu h GLU 519 N 0.80 0.02 -0.46 4.17 5.08 -1.66 -2.49 114.58 120.04 1ubu h GLU 519 Ca 0.11 -0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.42 1ubu h GLU 519 Cb 0.76 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.98 1ubu h GLU 519 CO 0.06 0.17 0.09 0.00 -1.00 0.00 0.00 179.01 178.33 1ubu h ALA 520 N 0.85 1.30 0.00 3.43 0.00 -0.90 -2.61 119.26 121.33 1ubu h ALA 520 Ca 0.00 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.69 1ubu h ALA 520 Cb 0.16 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 1ubu h ALA 520 CO -0.00 0.49 -0.16 0.66 0.00 0.00 0.00 179.25 180.23 1ubu h SER 521 N 0.67 0.00 1.71 0.00 4.64 -0.70 -2.70 113.55 117.17 1ubu h SER 521 Ca 0.15 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.45 1ubu h SER 521 Cb 0.29 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.37 1ubu h SER 521 CO 0.00 0.16 -0.08 -0.07 -0.87 0.00 0.00 176.83 175.97 1ubu h LEU 522 N 0.00 0.00 -9.62 5.97 4.07 -1.05 -3.15 115.31 111.54 1ubu h LEU 522 Ca -0.00 0.00 -0.52 0.00 0.08 0.00 0.00 57.88 57.43 1ubu h LEU 522 Cb 0.52 0.00 0.05 0.00 1.08 0.00 0.00 40.66 42.30 1ubu h LEU 522 CO 0.02 0.08 0.92 -0.63 -1.08 0.00 0.00 178.44 177.75 1ubu s ILE 523 N -3.28 2.48 0.00 1.22 -1.09 -1.02 -2.05 121.20 117.47 1ubu s ILE 523 Ca 0.05 0.34 0.00 0.00 -2.23 0.00 0.00 60.65 58.81 1ubu s ILE 523 Cb 0.06 -3.22 0.00 0.00 -1.58 0.00 0.00 42.46 37.72 1ubu s ILE 523 CO 0.66 0.03 0.00 0.61 -1.23 0.00 0.00 174.94 175.00 1ubu n GLY 524 N 3.82 0.14 3.70 6.18 0.00 0.52 -4.78 105.19 114.77 1ubu n GLY 524 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 1ubu n GLY 524 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ubu s THR 525 N -2.00 2.93 0.44 2.61 2.01 -0.87 -4.63 115.64 116.14 1ubu s THR 525 Ca 0.00 0.52 -0.22 0.00 0.31 0.00 0.00 61.69 62.29 1ubu s THR 525 Cb 0.00 -3.33 -0.08 0.00 0.01 0.00 0.00 72.50 69.09 1ubu s THR 525 CO 0.00 0.01 1.07 -2.16 -0.69 0.00 0.00 174.62 172.85 1ubu s PRO 526 N 2.05 3.94 -0.27 4.92 0.04 -1.26 -0.73 135.00 143.69 1ubu s PRO 526 Ca 0.72 1.51 -0.01 0.00 0.04 0.00 0.00 61.00 63.26 1ubu s PRO 526 Cb -0.41 -2.35 0.08 0.00 0.04 0.00 0.00 34.50 31.87 1ubu s PRO 526 CO 0.32 -0.33 0.06 0.54 0.04 0.00 0.00 177.00 177.62 1ubu s VAL 527 N -1.75 0.86 0.12 -0.36 0.11 -0.28 -4.69 120.40 114.42 1ubu s VAL 527 Ca 0.62 -1.16 -0.12 0.00 -2.93 0.00 0.00 61.98 58.40 1ubu s VAL 527 Cb -0.21 -1.52 -0.08 0.00 -1.53 0.00 0.00 36.38 33.04 1ubu s VAL 527 CO 0.26 -0.49 1.42 0.00 -3.33 0.00 0.00 175.10 172.97 1ubu h ALA 528 N 8.11 0.48 -3.05 1.54 0.00 -1.91 -3.42 119.26 121.02 1ubu h ALA 528 Ca -0.15 -0.48 -0.51 0.00 0.00 0.00 0.00 54.91 53.77 1ubu h ALA 528 Cb 1.05 -0.09 -0.40 0.00 0.00 0.00 0.00 17.79 18.35 1ubu h ALA 528 CO 0.43 0.63 -0.76 0.34 0.00 0.00 0.00 179.25 179.89 1ubu s ASP 529 N -6.84 3.08 0.60 0.00 3.68 -1.26 -4.95 116.67 110.96 1ubu s ASP 529 Ca -0.11 -1.01 0.32 0.00 2.13 0.00 0.00 52.55 53.88 1ubu s ASP 529 Cb 0.10 -0.45 1.88 0.00 -1.45 0.00 0.00 42.92 43.00 1ubu s ASP 529 CO 0.88 -0.37 2.25 0.00 0.13 0.00 0.00 175.17 178.05 1ubu h ALA 530 N 8.32 1.38 0.00 3.66 0.00 -2.01 -0.15 119.26 130.48 1ubu h ALA 530 Ca -0.17 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1ubu h ALA 530 Cb 1.08 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.87 1ubu h ALA 530 CO 0.37 0.02 0.00 0.87 0.00 0.00 0.00 179.25 180.51 1ubu h LYS 531 N 0.00 0.00 -2.05 0.00 1.57 -1.99 -3.36 116.57 110.75 1ubu h LYS 531 Ca -0.00 0.00 -0.56 0.00 -1.87 0.00 0.00 60.65 58.22 1ubu h LYS 531 Cb 0.06 0.00 -0.40 0.00 0.08 0.00 0.00 32.23 31.97 1ubu h LYS 531 CO 0.00 0.00 -1.00 0.54 -0.57 0.00 0.00 179.45 178.42 1ubu n ARG 532 N -2.36 1.23 -1.47 3.15 1.74 -0.07 -5.05 116.66 113.82 1ubu n ARG 532 Ca 0.05 -3.61 -0.40 0.00 -0.77 0.00 0.00 57.85 53.12 1ubu n ARG 532 Cb 0.44 -1.54 -0.02 0.00 -1.02 0.00 0.00 32.46 30.32 1ubu n ARG 532 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 1ubu n PRO 533 N 1.06 3.43 0.24 5.56 -0.04 -1.18 -4.63 135.00 139.43 1ubu n PRO 533 Ca 0.24 -2.36 0.08 0.00 -0.04 0.00 0.00 63.50 61.41 1ubu n PRO 533 Cb 0.52 -2.97 0.59 0.00 -0.04 0.00 0.00 33.50 31.61 1ubu n PRO 533 CO 0.00 0.00 0.00 -0.24 -0.04 0.00 0.00 175.50 175.22 1ubu h VAL 534 N 3.34 0.92 -0.56 0.52 3.04 -1.96 -1.92 116.25 119.64 1ubu h VAL 534 Ca 0.77 -0.58 -0.06 0.00 -1.01 0.00 0.00 66.70 65.81 1ubu h VAL 534 Cb 0.41 1.33 -0.02 0.00 -2.01 0.00 0.00 31.29 30.99 1ubu h VAL 534 CO 1.82 0.16 0.09 -0.33 -1.01 0.00 0.00 177.57 178.29 1ubu h GLU 535 N 0.00 0.89 -0.59 4.17 3.07 -1.83 0.12 114.58 120.41 1ubu h GLU 535 Ca -0.00 -0.21 -0.01 0.00 -0.50 0.00 0.00 59.36 58.64 1ubu h GLU 535 Cb 0.32 -0.12 -0.03 0.00 -0.84 0.00 0.00 28.75 28.08 1ubu h GLU 535 CO 0.02 0.83 0.33 0.82 -1.40 0.00 0.00 179.01 179.62 1ubu h ILE 536 N 0.85 1.19 -0.44 3.13 2.04 -1.64 -2.52 117.51 120.12 1ubu h ILE 536 Ca 0.18 -0.46 -0.04 0.00 1.00 0.00 0.00 64.86 65.53 1ubu h ILE 536 Cb 0.38 0.41 -0.02 0.00 -0.74 0.00 0.00 36.82 36.85 1ubu h ILE 536 CO 0.01 0.20 0.10 -0.07 0.00 0.00 0.00 178.15 178.39 1ubu h LEU 537 N 0.80 0.61 -0.40 1.44 4.07 -1.26 -0.83 115.31 119.74 1ubu h LEU 537 Ca 0.21 -0.09 -0.01 0.00 0.08 0.00 0.00 57.88 58.07 1ubu h LEU 537 Cb 0.03 -0.16 -0.02 0.00 1.08 0.00 0.00 40.66 41.59 1ubu h LEU 537 CO -0.04 0.61 0.22 0.03 -1.08 0.00 0.00 178.44 178.19 1ubu h ARG 538 N 0.64 0.55 -0.14 1.13 3.08 -0.36 0.33 114.38 119.61 1ubu h ARG 538 Ca 0.15 -0.06 -0.07 0.00 0.07 0.00 0.00 59.98 60.07 1ubu h ARG 538 Cb 0.25 -0.11 -0.00 0.00 0.08 0.00 0.00 29.97 30.19 1ubu h ARG 538 CO -0.00 0.43 -0.18 1.15 -1.07 0.00 0.00 179.97 180.30 1ubu h THR 539 N 0.51 1.36 -0.23 2.04 2.02 -1.33 -1.89 112.91 115.40 1ubu h THR 539 Ca 0.14 -1.39 0.00 0.00 0.77 0.00 0.00 66.41 65.94 1ubu h THR 539 Cb 0.04 1.93 -0.01 0.00 -1.74 0.00 0.00 68.15 68.37 1ubu h THR 539 CO -0.02 0.41 0.15 0.58 0.37 0.00 0.00 175.52 177.00 1ubu h VAL 540 N -0.01 1.05 0.00 3.16 2.07 -0.93 -2.00 116.25 119.58 1ubu h VAL 540 Ca 0.02 -0.10 -0.03 0.00 0.82 0.00 0.00 66.70 67.40 1ubu h VAL 540 Cb 0.74 0.72 -0.00 0.00 -1.52 0.00 0.00 31.29 31.23 1ubu h VAL 540 CO 0.04 0.05 -0.15 0.45 0.02 0.00 0.00 177.57 177.99 1ubu h HIS 541 N 0.30 0.00 0.00 1.57 -0.00 -0.38 -2.49 115.15 114.15 1ubu h HIS 541 Ca 0.09 0.00 -0.00 0.00 -0.00 0.00 0.00 60.37 60.45 1ubu h HIS 541 Cb -0.03 0.00 -0.00 0.00 -0.00 0.00 0.00 27.41 27.38 1ubu h HIS 541 CO -0.07 0.15 -0.00 0.66 -0.00 0.00 0.00 177.93 178.66 1ubu h SER 542 N 0.00 0.00 0.84 2.45 4.64 -0.55 0.79 113.55 121.72 1ubu h SER 542 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1ubu h SER 542 Cb 0.33 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.42 1ubu h SER 542 CO 0.02 0.00 -0.10 0.49 -0.87 0.00 0.00 176.83 176.37 1ubu n PHE 543 N -4.02 0.00 -3.34 4.77 3.72 -0.94 -4.59 117.46 113.06 1ubu n PHE 543 Ca -0.03 0.00 -0.18 0.00 -0.05 0.00 0.00 57.45 57.19 1ubu n PHE 543 Cb 0.09 -0.42 0.07 0.00 -0.94 0.00 0.00 39.48 38.28 1ubu n PHE 543 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 1ubu n ASP 544 N -1.46 -5.82 -4.76 4.37 4.64 0.27 -4.89 116.55 108.90 1ubu n ASP 544 Ca 0.08 -0.75 -0.39 0.00 -1.38 0.00 0.00 54.79 52.35 1ubu n ASP 544 Cb 0.33 -4.93 0.01 0.00 -1.04 0.00 0.00 41.12 35.49 1ubu n ASP 544 CO 0.00 0.00 0.00 -2.84 -0.82 0.00 0.00 177.20 173.54 1ubu s PRO 545 N -4.75 3.67 -0.28 -0.67 0.02 -1.26 -4.95 135.00 126.77 1ubu s PRO 545 Ca 0.40 2.25 -0.02 0.00 0.02 0.00 0.00 61.00 63.65 1ubu s PRO 545 Cb -0.07 -2.59 0.09 0.00 0.02 0.00 0.00 34.50 31.96 1ubu s PRO 545 CO 0.76 -0.77 0.09 0.00 -0.33 0.00 0.00 177.00 176.75 1ubu h ILE 547 N 6.48 0.80 -0.64 0.00 1.08 -1.15 -0.65 117.51 123.42 1ubu h ILE 547 Ca -0.16 -2.23 -0.05 0.00 -0.39 0.00 0.00 64.86 62.03 1ubu h ILE 547 Cb 1.04 2.31 -0.03 0.00 -3.07 0.00 0.00 36.82 37.07 1ubu h ILE 547 CO 0.43 0.45 0.20 0.00 -0.69 0.00 0.00 178.15 178.55 1ubu h ALA 548 N 1.43 0.84 0.18 1.87 0.00 -1.83 -1.44 119.26 120.31 1ubu h ALA 548 Ca -0.06 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.63 1ubu h ALA 548 Cb 1.49 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 19.03 1ubu h ALA 548 CO 0.06 0.51 -0.10 0.00 0.00 0.00 0.00 179.25 179.73 1ubu h GLY 550 N -0.26 0.72 0.19 0.00 0.00 -0.78 -3.32 103.07 99.62 1ubu h GLY 550 Ca -0.02 -0.43 -0.38 0.00 0.00 0.00 0.00 47.33 46.49 1ubu h GLY 550 CO 0.03 0.41 -2.33 -0.62 0.00 0.00 0.00 176.54 174.03 1ubu n VAL 551 N -4.26 1.58 -0.07 4.60 0.31 -0.57 -4.42 118.33 115.51 1ubu n VAL 551 Ca 0.02 -0.59 0.00 0.00 -0.01 0.00 0.00 64.34 63.76 1ubu n VAL 551 Cb 0.25 -1.53 0.00 0.00 -0.91 0.00 0.00 33.84 31.66 1ubu n VAL 551 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51