#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ubr n SER 20 N 0.00 -2.42 -4.74 6.43 3.41 -1.26 -4.83 113.62 110.20 1ubr n SER 20 Ca 0.00 -0.29 -0.41 0.00 -0.26 0.00 0.00 58.87 57.91 1ubr n SER 20 Cb 0.00 -0.53 -0.04 0.00 -0.26 0.00 0.00 64.21 63.38 1ubr n SER 20 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 175.04 174.41 1ubr s TYR 21 N -1.62 3.54 -0.06 7.33 5.04 -1.26 -4.56 117.35 125.77 1ubr s TYR 21 Ca 0.22 1.56 0.04 0.00 -2.44 0.00 0.00 57.07 56.45 1ubr s TYR 21 Cb -0.04 -3.32 -0.00 0.00 0.35 0.00 0.00 41.96 38.95 1ubr s TYR 21 CO 0.18 -0.78 -0.18 -1.12 -1.34 0.00 0.00 175.55 172.31 1ubr s SER 22 N -0.17 2.32 0.00 4.32 0.01 -1.26 -0.74 113.70 118.18 1ubr s SER 22 Ca 0.50 -0.39 0.00 0.00 1.31 0.00 0.00 55.95 57.37 1ubr s SER 22 Cb -0.31 -0.76 0.00 0.00 0.21 0.00 0.00 66.02 65.16 1ubr s SER 22 CO 0.37 0.15 0.00 0.61 0.41 0.00 0.00 173.24 174.77 1ubr n GLY 23 N 3.27 0.63 3.84 3.44 0.00 0.37 -4.98 105.19 111.77 1ubr n GLY 23 Ca -0.19 -1.85 -0.32 0.00 0.00 0.00 0.00 46.02 43.66 1ubr n GLY 23 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ubr s PRO 24 N -1.60 4.00 -0.03 1.61 0.04 -1.26 -0.33 135.00 137.44 1ubr s PRO 24 Ca 0.00 0.87 0.03 0.00 0.04 0.00 0.00 61.00 61.94 1ubr s PRO 24 Cb 0.00 -2.23 0.00 0.00 0.04 0.00 0.00 34.50 32.31 1ubr s PRO 24 CO 0.00 -0.11 -0.09 0.42 0.04 0.00 0.00 177.00 177.26 1ubr s ILE 25 N -2.38 0.80 -0.04 0.56 1.01 -0.38 -4.90 121.20 115.86 1ubr s ILE 25 Ca 0.58 -0.37 0.06 0.00 0.00 0.00 0.00 60.65 60.92 1ubr s ILE 25 Cb -0.10 -0.71 -0.01 0.00 0.01 0.00 0.00 42.46 41.65 1ubr s ILE 25 CO 0.25 0.25 -0.24 -0.69 0.00 0.00 0.00 174.94 174.50 1ubr s VAL 26 N 0.16 1.95 -0.30 2.92 1.01 -1.26 -1.01 120.40 123.87 1ubr s VAL 26 Ca -0.03 -1.02 0.02 0.00 0.00 0.00 0.00 61.98 60.95 1ubr s VAL 26 Cb -0.08 -1.64 0.09 0.00 0.00 0.00 0.00 36.38 34.74 1ubr s VAL 26 CO 0.00 0.55 0.02 -0.69 0.00 0.00 0.00 175.10 174.98 1ubr s VAL 27 N -0.27 1.77 -0.27 2.92 1.01 0.17 -5.01 120.40 120.72 1ubr s VAL 27 Ca 0.00 -1.79 -0.01 0.00 0.00 0.00 0.00 61.98 60.19 1ubr s VAL 27 Cb -0.12 -2.20 0.15 0.00 0.00 0.00 0.00 36.38 34.21 1ubr s VAL 27 CO 0.02 -0.43 0.41 -0.62 0.00 0.00 0.00 175.10 174.47 1ubr s ASP 28 N 1.20 0.21 0.33 3.32 3.68 -1.26 -1.11 116.67 123.03 1ubr s ASP 28 Ca 0.04 -0.00 -0.24 0.00 2.13 0.00 0.00 52.55 54.48 1ubr s ASP 28 Cb -0.19 1.18 -0.10 0.00 -1.45 0.00 0.00 42.92 42.36 1ubr s ASP 28 CO -0.11 -0.32 0.92 -2.16 0.13 0.00 0.00 175.17 173.63 1ubr s PRO 29 N 2.56 4.49 -0.40 4.34 0.04 -1.26 -5.08 135.00 139.68 1ubr s PRO 29 Ca 0.12 1.24 -0.29 0.00 0.04 0.00 0.00 61.00 62.11 1ubr s PRO 29 Cb -0.14 -2.71 0.02 0.00 0.04 0.00 0.00 34.50 31.71 1ubr s PRO 29 CO -0.22 0.24 1.28 0.08 0.04 0.00 0.00 177.00 178.42 1ubr s VAL 30 N -1.70 4.09 0.76 -0.36 1.01 -0.54 -5.02 120.40 118.64 1ubr s VAL 30 Ca 0.51 1.15 -0.05 0.00 0.00 0.00 0.00 61.98 63.59 1ubr s VAL 30 Cb -0.17 -4.34 0.12 0.00 0.00 0.00 0.00 36.38 32.00 1ubr s VAL 30 CO 0.22 -0.77 1.05 0.42 0.00 0.00 0.00 175.10 176.02 1ubr s THR 31 N 4.79 2.17 -1.43 3.92 -4.23 -1.26 -4.42 115.64 115.18 1ubr s THR 31 Ca 0.55 -0.41 -0.09 0.00 -1.18 0.00 0.00 61.69 60.57 1ubr s THR 31 Cb -0.12 -2.77 0.05 0.00 1.34 0.00 0.00 72.50 71.00 1ubr s THR 31 CO 0.29 0.00 0.93 0.54 -0.54 0.00 0.00 174.62 175.84 1ubr n ARG 32 N -3.02 -5.70 -4.26 3.99 1.74 -1.26 -5.00 116.66 103.15 1ubr n ARG 32 Ca 0.13 0.64 -0.15 0.00 -0.77 0.00 0.00 57.85 57.70 1ubr n ARG 32 Cb 0.60 -5.46 -0.10 0.00 -1.02 0.00 0.00 32.46 26.49 1ubr n ARG 32 CO 0.00 0.00 0.00 0.96 -1.52 0.00 0.00 177.63 177.07 1ubr s ILE 33 N -3.42 0.21 0.10 0.55 -4.36 -1.26 -4.74 121.20 108.28 1ubr s ILE 33 Ca 0.43 -2.00 -0.23 0.00 -0.26 0.00 0.00 60.65 58.59 1ubr s ILE 33 Cb -0.21 -2.54 -0.07 0.00 1.25 0.00 0.00 42.46 40.89 1ubr s ILE 33 CO 0.81 0.00 0.69 -0.70 0.24 0.00 0.00 174.94 175.98 1ubr s GLU 34 N -4.00 4.42 0.45 0.37 -6.30 -1.08 -4.98 118.70 107.56 1ubr s GLU 34 Ca 0.38 0.97 0.00 0.00 -2.50 0.00 0.00 54.97 53.82 1ubr s GLU 34 Cb 0.06 -3.28 0.00 0.00 0.00 0.00 0.00 34.13 30.92 1ubr s GLU 34 CO 0.15 0.54 0.00 0.41 0.02 0.00 0.00 175.26 176.37 1ubr n GLY 35 N 1.82 -2.31 3.20 -1.50 0.00 -1.26 -0.72 105.19 104.43 1ubr n GLY 35 Ca -0.07 -1.66 -0.39 0.00 0.00 0.00 0.00 46.02 43.90 1ubr n GLY 35 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1ubr s HIS 36 N -0.34 3.43 -0.05 1.61 3.76 -1.26 -4.83 115.29 117.61 1ubr s HIS 36 Ca 0.00 -1.92 0.06 0.00 -0.15 0.00 0.00 55.06 53.05 1ubr s HIS 36 Cb 0.00 -3.08 -0.01 0.00 1.11 0.00 0.00 32.58 30.60 1ubr s HIS 36 CO 0.00 -0.92 -0.24 -1.17 -0.85 0.00 0.00 174.74 171.57 1ubr s LEU 37 N 1.30 2.04 -0.19 0.89 0.20 -1.26 -1.35 118.68 120.31 1ubr s LEU 37 Ca 0.04 -0.48 -0.02 0.00 0.69 0.00 0.00 54.13 54.37 1ubr s LEU 37 Cb -0.23 -1.30 -0.00 0.00 -0.43 0.00 0.00 46.19 44.23 1ubr s LEU 37 CO -0.01 0.24 -0.11 -0.60 -0.29 0.00 0.00 176.35 175.58 1ubr s ARG 38 N -0.20 3.25 -0.17 1.98 3.52 0.42 -1.46 118.95 126.28 1ubr s ARG 38 Ca -0.02 -0.70 -0.06 0.00 -0.13 0.00 0.00 55.73 54.82 1ubr s ARG 38 Cb -0.13 -2.81 -0.04 0.00 -1.56 0.00 0.00 34.95 30.42 1ubr s ARG 38 CO 0.03 -0.13 0.03 0.42 -0.81 0.00 0.00 175.30 174.84 1ubr s ILE 39 N 1.24 4.52 -0.10 4.11 -1.09 -0.27 -0.86 121.20 128.75 1ubr s ILE 39 Ca 0.03 -0.13 0.03 0.00 -2.23 0.00 0.00 60.65 58.34 1ubr s ILE 39 Cb -0.14 -3.02 -0.01 0.00 -1.58 0.00 0.00 42.46 37.71 1ubr s ILE 39 CO -0.05 0.47 -0.20 -1.61 -1.23 0.00 0.00 174.94 172.33 1ubr s GLU 40 N 0.38 3.03 0.12 2.79 2.02 -0.67 -0.66 118.70 125.72 1ubr s GLU 40 Ca 0.01 -0.80 0.04 0.00 0.02 0.00 0.00 54.97 54.24 1ubr s GLU 40 Cb -0.13 -2.40 -0.04 0.00 0.10 0.00 0.00 34.13 31.66 1ubr s GLU 40 CO 0.01 0.26 -0.10 0.14 0.02 0.00 0.00 175.26 175.59 1ubr s VAL 41 N 0.17 1.07 -0.18 2.63 -7.23 -0.18 -0.34 120.40 116.34 1ubr s VAL 41 Ca -0.11 -1.84 -0.06 0.00 -1.81 0.00 0.00 61.98 58.16 1ubr s VAL 41 Cb -0.16 -1.60 -0.03 0.00 0.56 0.00 0.00 36.38 35.14 1ubr s VAL 41 CO 0.06 -0.64 0.03 -1.61 -0.31 0.00 0.00 175.10 172.63 1ubr s GLU 42 N -3.24 3.84 0.04 4.82 2.02 -0.14 -1.25 118.70 124.80 1ubr s GLU 42 Ca 0.11 -0.42 0.09 0.00 0.02 0.00 0.00 54.97 54.77 1ubr s GLU 42 Cb -0.00 -3.13 -0.03 0.00 0.10 0.00 0.00 34.13 31.07 1ubr s GLU 42 CO 0.00 0.21 -0.24 0.54 0.02 0.00 0.00 175.26 175.79 1ubr s VAL 43 N 0.51 2.33 -0.14 2.63 0.11 0.55 -0.51 120.40 125.88 1ubr s VAL 43 Ca 0.01 -1.33 -0.01 0.00 -2.93 0.00 0.00 61.98 57.73 1ubr s VAL 43 Cb -0.13 -1.93 0.04 0.00 -1.53 0.00 0.00 36.38 32.82 1ubr s VAL 43 CO 0.02 0.36 -0.06 -0.70 -3.33 0.00 0.00 175.10 171.39 1ubr s GLU 44 N -1.28 1.44 -1.45 1.54 2.12 -0.02 -0.48 118.70 120.57 1ubr s GLU 44 Ca 0.12 -0.40 -0.11 0.00 0.36 0.00 0.00 54.97 54.94 1ubr s GLU 44 Cb -0.10 -1.83 0.05 0.00 0.26 0.00 0.00 34.13 32.51 1ubr s GLU 44 CO 0.03 -0.37 1.00 0.09 -0.54 0.00 0.00 175.26 175.47 1ubr n ASN 45 N 4.91 -4.68 0.00 -1.70 4.13 -1.12 -2.10 115.26 114.70 1ubr n ASN 45 Ca -0.12 -0.72 0.00 0.00 1.68 0.00 0.00 54.58 55.42 1ubr n ASN 45 Cb 0.49 -4.23 0.00 0.00 -1.54 0.00 0.00 39.78 34.49 1ubr n ASN 45 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1ubr n GLY 46 N -1.74 0.48 3.06 7.41 0.00 0.08 -4.73 105.19 109.75 1ubr n GLY 46 Ca -0.02 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.81 1ubr n GLY 46 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ubr s LYS 47 N -0.21 0.86 0.18 1.61 1.02 -0.89 -0.72 119.74 121.59 1ubr s LYS 47 Ca 0.00 -0.45 -0.31 0.00 0.02 0.00 0.00 55.97 55.23 1ubr s LYS 47 Cb 0.00 -0.83 -0.10 0.00 -0.52 0.00 0.00 37.83 36.39 1ubr s LYS 47 CO 0.00 0.22 1.47 0.08 -0.92 0.00 0.00 175.35 176.21 1ubr s VAL 48 N -0.38 2.82 -0.13 3.17 1.01 0.23 -0.84 120.40 126.28 1ubr s VAL 48 Ca 0.03 0.62 0.06 0.00 0.00 0.00 0.00 61.98 62.69 1ubr s VAL 48 Cb -0.05 -3.40 -0.08 0.00 0.00 0.00 0.00 36.38 32.86 1ubr s VAL 48 CO -0.00 0.07 0.18 1.17 0.00 0.00 0.00 175.10 176.52 1ubr n LYS 49 N 3.37 2.55 -3.60 2.72 4.81 0.33 -0.20 118.16 128.14 1ubr n LYS 49 Ca 0.11 -0.03 -0.15 0.00 -0.87 0.00 0.00 58.31 57.37 1ubr n LYS 49 Cb 0.40 -0.96 -0.06 0.00 0.02 0.00 0.00 35.03 34.43 1ubr n LYS 49 CO 0.00 0.00 0.00 1.21 1.17 0.00 0.00 177.40 179.78 1ubr s ASN 50 N -2.13 -0.46 -0.10 3.14 3.04 -1.13 -4.94 114.94 112.36 1ubr s ASN 50 Ca -0.00 0.36 -0.16 0.00 0.04 0.00 0.00 52.86 53.09 1ubr s ASN 50 Cb 0.04 0.46 0.04 0.00 -1.54 0.00 0.00 41.25 40.25 1ubr s ASN 50 CO 0.24 -0.61 0.40 0.00 -3.04 0.00 0.00 177.10 174.09 1ubr s ALA 51 N -1.70 -1.01 -0.04 1.71 0.00 -1.26 -0.97 121.76 118.49 1ubr s ALA 51 Ca -0.09 0.89 0.03 0.00 0.00 0.00 0.00 51.96 52.78 1ubr s ALA 51 Cb -0.01 -0.35 0.01 0.00 0.00 0.00 0.00 23.12 22.76 1ubr s ALA 51 CO 0.04 -0.24 -0.10 0.71 0.00 0.00 0.00 175.76 176.17 1ubr s TYR 52 N -0.47 1.14 -0.41 0.00 2.02 0.54 -4.88 117.35 115.29 1ubr s TYR 52 Ca -0.06 -0.32 -0.09 0.00 -0.37 0.00 0.00 57.07 56.23 1ubr s TYR 52 Cb -0.03 -0.82 0.07 0.00 -0.40 0.00 0.00 41.96 40.78 1ubr s TYR 52 CO 0.03 -0.15 0.24 0.45 -1.57 0.00 0.00 175.55 174.56 1ubr s SER 53 N 0.31 5.63 -0.29 2.29 0.15 -1.26 -1.67 113.70 118.86 1ubr s SER 53 Ca -0.06 -1.43 -0.05 0.00 0.70 0.00 0.00 55.95 55.11 1ubr s SER 53 Cb -0.11 -1.98 0.02 0.00 -1.71 0.00 0.00 66.02 62.24 1ubr s SER 53 CO 0.01 -0.51 0.04 -0.55 1.20 0.00 0.00 173.24 173.43 1ubr s SER 54 N 2.01 4.91 -0.18 5.45 0.15 -0.04 -4.47 113.70 121.54 1ubr s SER 54 Ca 0.03 -0.90 -0.19 0.00 0.70 0.00 0.00 55.95 55.59 1ubr s SER 54 Cb -0.22 -1.80 -0.03 0.00 -1.71 0.00 0.00 66.02 62.25 1ubr s SER 54 CO 0.03 -0.21 0.53 -0.44 1.20 0.00 0.00 173.24 174.35 1ubr s SER 55 N 1.40 6.61 -0.12 5.45 0.01 -1.26 -0.44 113.70 125.36 1ubr s SER 55 Ca 0.00 0.73 0.15 0.00 1.31 0.00 0.00 55.95 58.15 1ubr s SER 55 Cb -0.18 -2.30 0.32 0.00 0.21 0.00 0.00 66.02 64.07 1ubr s SER 55 CO 0.00 -0.15 1.21 0.35 0.41 0.00 0.00 173.24 175.06 1ubr n THR 56 N 4.37 1.83 -4.64 1.44 -2.24 -0.46 -1.64 114.28 112.95 1ubr n THR 56 Ca -0.05 -1.92 -0.24 0.00 -2.27 0.00 0.00 64.05 59.57 1ubr n THR 56 Cb 0.51 -0.10 -0.16 0.00 -2.10 0.00 0.00 70.33 68.47 1ubr n THR 56 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 1ubr s LEU 57 N -2.51 1.82 -0.03 3.22 2.96 -1.26 -5.04 118.68 117.84 1ubr s LEU 57 Ca 0.30 -0.28 0.07 0.00 -0.22 0.00 0.00 54.13 54.00 1ubr s LEU 57 Cb 0.25 -0.80 -0.02 0.00 0.50 0.00 0.00 46.19 46.13 1ubr s LEU 57 CO 0.05 0.10 -0.25 0.12 -1.32 0.00 0.00 176.35 175.05 1ubr s PHE 58 N 0.19 2.38 -0.07 5.38 5.36 -1.26 -4.86 117.98 125.10 1ubr s PHE 58 Ca -0.05 -0.52 0.00 0.00 -0.96 0.00 0.00 56.93 55.40 1ubr s PHE 58 Cb -0.11 -1.54 -0.04 0.00 -0.34 0.00 0.00 43.02 40.99 1ubr s PHE 58 CO 0.02 -0.09 -0.06 0.54 -1.46 0.00 0.00 175.22 174.17 1ubr n ARG 59 N 2.59 0.16 -1.75 10.12 1.74 -0.60 -5.08 116.66 123.84 1ubr n ARG 59 Ca -0.16 0.04 0.00 0.00 -0.77 0.00 0.00 57.85 56.95 1ubr n ARG 59 Cb 0.51 -1.10 0.00 0.00 -1.02 0.00 0.00 32.46 30.85 1ubr n ARG 59 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1ubr n GLY 60 N 3.14 0.96 0.29 -0.13 0.00 -0.82 -4.97 105.19 103.66 1ubr n GLY 60 Ca -0.12 -0.50 0.05 0.00 0.00 0.00 0.00 46.02 45.45 1ubr n GLY 60 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1ubr h LEU 61 N 0.00 0.31 -1.12 0.99 3.38 -1.91 -1.37 115.31 115.58 1ubr h LEU 61 Ca 0.00 -0.01 -0.06 0.00 0.09 0.00 0.00 57.88 57.90 1ubr h LEU 61 Cb 0.71 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.37 1ubr h LEU 61 CO 0.00 0.23 -0.04 -0.33 0.09 0.00 0.00 178.44 178.38 1ubr h GLU 62 N 0.36 0.56 -0.32 1.13 5.08 -1.92 -1.76 114.58 117.71 1ubr h GLU 62 Ca 0.10 -0.14 -0.09 0.00 -1.00 0.00 0.00 59.36 58.23 1ubr h GLU 62 Cb -0.04 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.13 1ubr h GLU 62 CO -0.02 0.62 -0.14 0.82 -1.00 0.00 0.00 179.01 179.29 1ubr h ILE 63 N 0.53 1.29 -0.02 3.13 2.04 -1.60 -3.16 117.51 119.72 1ubr h ILE 63 Ca 0.11 -1.24 -0.05 0.00 1.00 0.00 0.00 64.86 64.67 1ubr h ILE 63 Cb 0.41 1.41 -0.01 0.00 -0.74 0.00 0.00 36.82 37.89 1ubr h ILE 63 CO 0.02 0.40 -0.23 0.40 0.00 0.00 0.00 178.15 178.74 1ubr h ILE 64 N 0.44 1.17 0.00 -0.67 2.04 -1.06 -2.60 117.51 116.83 1ubr h ILE 64 Ca 0.07 -0.82 -0.03 0.00 1.00 0.00 0.00 64.86 65.08 1ubr h ILE 64 Cb 0.67 1.42 -0.00 0.00 -0.74 0.00 0.00 36.82 38.16 1ubr h ILE 64 CO 0.04 0.24 -0.13 -0.07 0.00 0.00 0.00 178.15 178.23 1ubr h LEU 65 N 0.03 0.00 -9.57 1.44 3.38 -1.29 -3.46 115.31 105.83 1ubr h LEU 65 Ca 0.00 0.00 -0.57 0.00 0.09 0.00 0.00 57.88 57.40 1ubr h LEU 65 Cb 0.42 0.00 0.07 0.00 0.09 0.00 0.00 40.66 41.24 1ubr h LEU 65 CO 0.03 0.13 0.79 0.29 0.09 0.00 0.00 178.44 179.78 1ubr n LYS 66 N -3.24 2.27 -0.12 1.13 5.02 -0.98 -1.99 118.16 120.24 1ubr n LYS 66 Ca 0.01 0.81 0.00 0.00 -2.02 0.00 0.00 58.31 57.11 1ubr n LYS 66 Cb 0.41 -2.57 0.00 0.00 -0.02 0.00 0.00 35.03 32.85 1ubr n LYS 66 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1ubr n GLY 67 N 3.09 1.33 3.94 0.72 0.00 0.43 -4.96 105.19 109.74 1ubr n GLY 67 Ca 0.15 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.92 1ubr n GLY 67 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ubr s ARG 68 N -0.50 2.15 0.05 1.61 0.52 -0.84 -4.49 118.95 117.44 1ubr s ARG 68 Ca 0.00 -0.43 -0.31 0.00 -0.52 0.00 0.00 55.73 54.48 1ubr s ARG 68 Cb 0.00 -2.23 -0.07 0.00 0.52 0.00 0.00 34.95 33.17 1ubr s ARG 68 CO 0.00 -1.21 1.55 0.34 0.02 0.00 0.00 175.30 175.99 1ubr s ASP 69 N -4.53 6.70 0.54 0.23 -1.08 -1.26 -0.74 116.67 116.52 1ubr s ASP 69 Ca 0.61 2.34 0.26 0.00 -0.52 0.00 0.00 52.55 55.24 1ubr s ASP 69 Cb -0.10 -2.56 1.42 0.00 -1.46 0.00 0.00 42.92 40.21 1ubr s ASP 69 CO 0.44 -0.81 1.99 -0.65 0.52 0.00 0.00 175.17 176.66 1ubr h PRO 70 N 8.05 0.00 0.00 4.34 0.11 -1.90 0.16 132.00 142.75 1ubr h PRO 70 Ca -0.41 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.70 1ubr h PRO 70 Cb 1.19 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.30 1ubr h PRO 70 CO 0.92 0.00 -0.03 0.00 -0.21 0.00 0.00 178.00 178.68 1ubr h ARG 71 N 0.00 0.00 0.00 1.05 3.08 -1.95 -2.53 114.38 114.04 1ubr h ARG 71 Ca 0.25 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.30 1ubr h ARG 71 Cb 1.01 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.06 1ubr h ARG 71 CO -0.00 0.03 -0.32 -0.25 -1.07 0.00 0.00 179.97 178.35 1ubr n ASP 72 N -3.30 0.70 -0.21 7.04 8.00 0.55 -4.30 116.55 125.03 1ubr n ASP 72 Ca -0.02 0.31 -0.03 0.00 0.71 0.00 0.00 54.79 55.76 1ubr n ASP 72 Cb 0.16 -0.27 0.07 0.00 -0.02 0.00 0.00 41.12 41.06 1ubr n ASP 72 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1ubr h ALA 73 N 2.57 0.79 -0.04 2.24 0.00 -1.49 -2.17 119.26 121.15 1ubr h ALA 73 Ca 0.00 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1ubr h ALA 73 Cb 0.72 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.38 1ubr h ALA 73 CO 0.00 0.02 -0.04 -0.56 0.00 0.00 0.00 179.25 178.67 1ubr h GLN 74 N 0.64 0.05 -0.17 0.00 3.07 -1.79 0.34 115.11 117.24 1ubr h GLN 74 Ca 0.26 -0.01 -0.20 0.00 0.09 0.00 0.00 58.65 58.80 1ubr h GLN 74 Cb 0.13 -0.01 0.01 0.00 0.08 0.00 0.00 27.48 27.69 1ubr h GLN 74 CO -0.15 0.10 -0.67 0.45 0.09 0.00 0.00 178.83 178.64 1ubr h HIS 75 N 0.05 0.99 -0.04 0.06 3.86 -1.67 -1.18 115.15 117.23 1ubr h HIS 75 Ca 0.01 -0.42 -0.01 0.00 -1.16 0.00 0.00 60.37 58.79 1ubr h HIS 75 Cb 0.10 -0.16 -0.00 0.00 1.06 0.00 0.00 27.41 28.41 1ubr h HIS 75 CO 0.00 1.24 -0.02 0.74 0.86 0.00 0.00 177.93 180.75 1ubr h PHE 76 N 0.46 0.09 0.00 2.45 -1.00 -1.23 -3.30 116.94 114.42 1ubr h PHE 76 Ca -0.04 -0.02 0.00 0.00 2.81 0.00 0.00 57.97 60.72 1ubr h PHE 76 Cb 1.30 -0.02 0.00 0.00 3.61 0.00 0.00 35.95 40.84 1ubr h PHE 76 CO 0.09 0.49 0.00 1.79 -1.61 0.00 0.00 178.31 179.08 1ubr h THR 77 N -0.33 0.00 -0.09 -1.55 1.35 -0.37 -1.29 112.91 110.62 1ubr h THR 77 Ca 0.01 -0.52 -0.02 0.00 -0.55 0.00 0.00 66.41 65.33 1ubr h THR 77 Cb 0.47 1.50 -0.01 0.00 -1.73 0.00 0.00 68.15 68.38 1ubr h THR 77 CO 0.01 0.00 -0.02 -0.61 -0.25 0.00 0.00 175.52 174.64 1ubr h GLN 78 N 0.00 0.13 0.00 4.72 4.15 -1.28 0.08 115.11 122.90 1ubr h GLN 78 Ca 0.00 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.41 1ubr h GLN 78 Cb 0.54 -0.02 0.00 0.00 0.21 0.00 0.00 27.48 28.21 1ubr h GLN 78 CO 0.00 0.16 0.00 0.54 -1.93 0.00 0.00 178.83 177.60 1ubr n ARG 79 N -4.43 0.94 -0.33 1.69 3.00 -0.49 -2.52 116.66 114.52 1ubr n ARG 79 Ca -0.02 0.00 0.07 0.00 -0.01 0.00 0.00 57.85 57.90 1ubr n ARG 79 Cb 0.15 -1.04 0.27 0.00 0.00 0.00 0.00 32.46 31.83 1ubr n ARG 79 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.63 178.78 1ubr h THR 80 N 0.00 0.95 -1.80 0.55 2.02 -1.05 -3.45 112.91 110.14 1ubr h THR 80 Ca 0.00 -0.33 0.05 0.00 0.77 0.00 0.00 66.41 66.90 1ubr h THR 80 Cb 0.00 -0.09 -0.24 0.00 -1.74 0.00 0.00 68.15 66.08 1ubr h THR 80 CO 0.00 0.17 0.21 0.00 0.37 0.00 0.00 175.52 176.28 1ubr n GLY 82 N 3.61 0.05 0.05 0.00 0.00 -1.26 -3.22 105.19 104.42 1ubr n GLY 82 Ca -0.18 -0.64 -0.00 0.00 0.00 0.00 0.00 46.02 45.20 1ubr n GLY 82 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1ubr h VAL 83 N 2.49 0.00 -0.54 1.61 2.07 -1.95 -3.30 116.25 116.62 1ubr h VAL 83 Ca 0.00 -1.00 -0.46 0.00 0.82 0.00 0.00 66.70 66.07 1ubr h VAL 83 Cb 0.76 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 30.43 1ubr h VAL 83 CO 0.00 0.00 1.00 0.00 0.02 0.00 0.00 177.57 178.59 1ubr n THR 85 N 2.00 0.00 0.00 0.00 5.66 -1.20 -2.94 114.28 117.80 1ubr n THR 85 Ca 0.54 -0.18 0.00 0.00 -3.05 0.00 0.00 64.05 61.36 1ubr n THR 85 Cb 0.58 -0.93 0.00 0.00 -1.55 0.00 0.00 70.33 68.43 1ubr n THR 85 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1ubr n TYR 86 N -4.42 0.00 -0.36 1.09 -0.00 -1.26 -4.72 117.16 107.48 1ubr n TYR 86 Ca 0.08 0.00 0.05 0.00 -0.00 0.00 0.00 57.90 58.03 1ubr n TYR 86 Cb 0.53 0.00 0.21 0.00 -0.00 0.00 0.00 39.34 40.09 1ubr n TYR 86 CO 0.00 0.00 0.00 1.79 -0.00 0.00 0.00 176.86 178.65 1ubr h THR 87 N 0.00 1.01 -0.01 2.97 1.35 -1.89 0.29 112.91 116.63 1ubr h THR 87 Ca 0.00 -0.37 -0.19 0.00 -0.55 0.00 0.00 66.41 65.30 1ubr h THR 87 Cb 0.00 -0.17 -0.01 0.00 -1.73 0.00 0.00 68.15 66.24 1ubr h THR 87 CO 0.00 0.20 -0.84 0.45 -0.25 0.00 0.00 175.52 175.07 1ubr h HIS 88 N 1.08 0.32 -0.89 4.73 3.86 -1.85 0.19 115.15 122.61 1ubr h HIS 88 Ca 0.46 -0.17 0.02 0.00 -1.16 0.00 0.00 60.37 59.52 1ubr h HIS 88 Cb 0.33 -0.04 -0.05 0.00 1.06 0.00 0.00 27.41 28.71 1ubr h HIS 88 CO -0.00 0.96 0.58 0.00 0.86 0.00 0.00 177.93 180.34 1ubr h ALA 89 N 0.98 1.14 -0.31 2.45 0.00 -1.34 0.49 119.26 122.67 1ubr h ALA 89 Ca -0.04 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.76 1ubr h ALA 89 Cb 1.46 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 1ubr h ALA 89 CO 0.13 0.50 -0.01 1.25 0.00 0.00 0.00 179.25 181.12 1ubr h LEU 90 N 1.18 0.55 -0.61 0.00 5.85 -0.82 0.14 115.31 121.61 1ubr h LEU 90 Ca 0.33 -0.32 -0.06 0.00 0.84 0.00 0.00 57.88 58.67 1ubr h LEU 90 Cb -0.10 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 40.75 1ubr h LEU 90 CO -0.08 0.74 0.14 0.00 -0.34 0.00 0.00 178.44 178.89 1ubr h ALA 91 N 0.83 0.80 -0.44 1.25 0.00 -0.70 0.12 119.26 121.13 1ubr h ALA 91 Ca 0.09 -0.24 -0.12 0.00 0.00 0.00 0.00 54.91 54.64 1ubr h ALA 91 Cb 0.46 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1ubr h ALA 91 CO 0.02 0.52 -0.20 0.77 0.00 0.00 0.00 179.25 180.36 1ubr h SER 92 N 0.89 0.89 -0.55 0.00 0.02 -0.83 0.31 113.55 114.28 1ubr h SER 92 Ca 0.19 -0.32 -0.11 0.00 -0.84 0.00 0.00 61.79 60.71 1ubr h SER 92 Cb 0.37 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 62.65 1ubr h SER 92 CO 0.00 1.07 -0.07 0.74 -1.14 0.00 0.00 176.83 177.43 1ubr h THR 93 N 0.77 1.27 -0.78 -2.27 2.02 -0.74 0.19 112.91 113.36 1ubr h THR 93 Ca 0.11 -1.22 -0.01 0.00 0.77 0.00 0.00 66.41 66.06 1ubr h THR 93 Cb 0.74 0.93 -0.04 0.00 -1.74 0.00 0.00 68.15 68.05 1ubr h THR 93 CO 0.06 0.43 0.47 0.03 0.37 0.00 0.00 175.52 176.88 1ubr h ARG 94 N 0.90 1.06 -0.16 6.66 3.08 -0.62 0.28 114.38 125.59 1ubr h ARG 94 Ca 0.15 -0.09 -0.02 0.00 0.07 0.00 0.00 59.98 60.08 1ubr h ARG 94 Cb 0.64 -0.22 -0.01 0.00 0.08 0.00 0.00 29.97 30.46 1ubr h ARG 94 CO 0.04 0.75 0.00 0.00 -1.07 0.00 0.00 179.97 179.69 1ubr h VAL 96 N 0.02 1.38 -0.63 0.00 2.07 -0.40 -1.17 116.25 117.52 1ubr h VAL 96 Ca 0.04 -2.23 0.13 0.00 0.82 0.00 0.00 66.70 65.46 1ubr h VAL 96 Cb 0.37 2.20 -0.11 0.00 -1.52 0.00 0.00 31.29 32.24 1ubr h VAL 96 CO 0.01 0.67 0.01 0.44 0.02 0.00 0.00 177.57 178.72 1ubr h ASP 97 N 0.28 -0.25 -0.39 0.57 3.45 -0.42 -0.83 116.42 118.83 1ubr h ASP 97 Ca -0.05 0.15 -0.03 0.00 0.43 0.00 0.00 57.03 57.53 1ubr h ASP 97 Cb 1.40 0.27 -0.02 0.00 -0.56 0.00 0.00 39.33 40.42 1ubr h ASP 97 CO 0.14 -0.11 0.11 -1.13 -1.57 0.00 0.00 179.24 176.68 1ubr h ASN 98 N 0.13 0.57 -0.62 6.45 -0.73 -1.02 -0.52 115.58 119.85 1ubr h ASN 98 Ca 0.33 -0.22 -0.04 0.00 1.87 0.00 0.00 56.30 58.25 1ubr h ASN 98 Cb 0.54 -0.15 -0.03 0.00 0.27 0.00 0.00 38.32 38.95 1ubr h ASN 98 CO -0.53 0.64 0.26 0.00 -0.37 0.00 0.00 177.43 177.44 1ubr h ALA 99 N 0.95 1.23 0.00 1.57 0.00 -0.52 -2.32 119.26 120.17 1ubr h ALA 99 Ca 0.12 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1ubr h ALA 99 Cb 0.29 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1ubr h ALA 99 CO -0.00 0.56 -0.19 0.28 0.00 0.00 0.00 179.25 179.91 1ubr h VAL 100 N 0.94 0.00 -0.29 0.00 2.07 -1.05 -3.44 116.25 114.48 1ubr h VAL 100 Ca 0.22 -0.52 -0.06 0.00 0.82 0.00 0.00 66.70 67.15 1ubr h VAL 100 Cb 0.18 1.40 -0.01 0.00 -1.52 0.00 0.00 31.29 31.34 1ubr h VAL 100 CO -0.02 0.00 -0.07 0.61 0.02 0.00 0.00 177.57 178.11 1ubr n GLY 101 N 1.30 0.44 3.84 2.17 0.00 -0.30 -4.74 105.19 107.90 1ubr n GLY 101 Ca 0.05 -0.85 -0.36 0.00 0.00 0.00 0.00 46.02 44.86 1ubr n GLY 101 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ubr s VAL 102 N -2.13 4.92 -0.37 1.61 0.11 -0.63 -5.03 120.40 118.87 1ubr s VAL 102 Ca 0.00 0.80 -0.07 0.00 -2.93 0.00 0.00 61.98 59.78 1ubr s VAL 102 Cb 0.00 -3.73 0.06 0.00 -1.53 0.00 0.00 36.38 31.18 1ubr s VAL 102 CO 0.00 0.34 0.16 -1.00 -3.33 0.00 0.00 175.10 171.27 1ubr s HIS 103 N -1.35 3.33 0.69 1.54 0.09 -1.26 -4.65 115.29 113.68 1ubr s HIS 103 Ca 0.34 -1.62 -0.12 0.00 -0.00 0.00 0.00 55.06 53.66 1ubr s HIS 103 Cb -0.16 -2.61 0.01 0.00 -0.00 0.00 0.00 32.58 29.82 1ubr s HIS 103 CO 0.18 -0.80 1.07 0.96 -0.00 0.00 0.00 174.74 176.15 1ubr s ILE 104 N 1.37 3.71 0.75 0.60 -4.36 -1.26 -4.88 121.20 117.12 1ubr s ILE 104 Ca 0.01 0.63 -0.14 0.00 -0.26 0.00 0.00 60.65 60.88 1ubr s ILE 104 Cb -0.21 -3.23 0.05 0.00 1.25 0.00 0.00 42.46 40.32 1ubr s ILE 104 CO 0.01 -0.66 1.20 -2.84 0.24 0.00 0.00 174.94 172.89 1ubr s PRO 105 N -4.72 2.04 0.28 0.37 0.02 -1.26 -4.82 135.00 126.91 1ubr s PRO 105 Ca 0.61 1.72 0.03 0.00 0.02 0.00 0.00 61.00 63.38 1ubr s PRO 105 Cb -0.16 -1.83 0.68 0.00 0.02 0.00 0.00 34.50 33.22 1ubr s PRO 105 CO 0.50 -1.90 1.72 0.87 -0.33 0.00 0.00 177.00 177.86 1ubr h LYS 106 N -0.47 0.47 -0.13 5.54 1.57 -1.93 -1.03 116.57 120.60 1ubr h LYS 106 Ca -0.47 -0.03 -0.09 0.00 -1.87 0.00 0.00 60.65 58.19 1ubr h LYS 106 Cb 1.29 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 33.48 1ubr h LYS 106 CO 0.49 0.31 -0.32 -0.91 -0.57 0.00 0.00 179.45 178.46 1ubr h ASN 107 N 0.49 0.24 -0.26 0.86 2.35 -1.91 0.10 115.58 117.45 1ubr h ASN 107 Ca 0.54 -0.08 -0.12 0.00 -0.55 0.00 0.00 56.30 56.08 1ubr h ASN 107 Cb 0.95 -0.07 -0.01 0.00 0.05 0.00 0.00 38.32 39.24 1ubr h ASN 107 CO -0.47 0.56 -0.27 0.00 -1.65 0.00 0.00 177.43 175.59 1ubr h ALA 108 N 1.46 0.84 -0.45 -0.83 0.00 -1.40 0.99 119.26 119.87 1ubr h ALA 108 Ca 0.03 -0.39 -0.02 0.00 0.00 0.00 0.00 54.91 54.53 1ubr h ALA 108 Cb 0.67 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 1ubr h ALA 108 CO 0.05 0.64 0.21 1.15 0.00 0.00 0.00 179.25 181.30 1ubr h THR 109 N 0.64 1.19 -0.30 0.00 2.02 -0.96 -0.05 112.91 115.44 1ubr h THR 109 Ca 0.08 -0.53 -0.01 0.00 0.77 0.00 0.00 66.41 66.72 1ubr h THR 109 Cb 0.79 0.71 -0.01 0.00 -1.74 0.00 0.00 68.15 67.89 1ubr h THR 109 CO 0.06 0.20 0.15 1.88 0.37 0.00 0.00 175.52 178.19 1ubr h TYR 110 N 0.58 0.44 -0.45 3.16 0.99 -0.70 0.60 116.97 121.59 1ubr h TYR 110 Ca 0.15 -0.02 -0.09 0.00 2.00 0.00 0.00 58.73 60.78 1ubr h TYR 110 Cb 0.13 -0.14 -0.01 0.00 1.00 0.00 0.00 36.73 37.71 1ubr h TYR 110 CO -0.01 0.38 -0.06 0.82 -0.00 0.00 0.00 178.16 179.30 1ubr h ILE 111 N 0.36 1.27 -0.82 -2.88 2.04 -0.66 0.77 117.51 117.59 1ubr h ILE 111 Ca 0.11 -1.15 -0.00 0.00 1.00 0.00 0.00 64.86 64.81 1ubr h ILE 111 Cb 0.11 1.10 -0.04 0.00 -0.74 0.00 0.00 36.82 37.25 1ubr h ILE 111 CO -0.01 0.39 0.50 0.03 0.00 0.00 0.00 178.15 179.06 1ubr h ARG 112 N 0.68 1.10 -0.53 2.37 3.08 -0.92 -1.25 114.38 118.91 1ubr h ARG 112 Ca 0.12 -0.09 -0.11 0.00 0.07 0.00 0.00 59.98 59.97 1ubr h ARG 112 Cb 0.58 -0.23 -0.02 0.00 0.08 0.00 0.00 29.97 30.38 1ubr h ARG 112 CO 0.04 0.77 -0.10 -0.91 -1.07 0.00 0.00 179.97 178.70 1ubr h ASN 113 N 1.12 0.99 -0.62 7.04 -0.26 -0.47 -2.09 115.58 121.28 1ubr h ASN 113 Ca 0.29 -0.32 -0.09 0.00 -0.56 0.00 0.00 56.30 55.62 1ubr h ASN 113 Cb -0.06 -0.27 -0.02 0.00 -1.06 0.00 0.00 38.32 36.91 1ubr h ASN 113 CO -0.06 1.09 0.02 -0.07 -1.06 0.00 0.00 177.43 177.36 1ubr h LEU 114 N 0.89 1.06 -0.95 1.61 3.38 -0.52 0.14 115.31 120.91 1ubr h LEU 114 Ca 0.14 -0.30 -0.07 0.00 0.09 0.00 0.00 57.88 57.74 1ubr h LEU 114 Cb 0.65 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.10 1ubr h LEU 114 CO 0.04 1.09 -0.03 0.58 0.09 0.00 0.00 178.44 180.21 1ubr h VAL 115 N 0.99 1.24 -0.48 1.22 2.07 -1.18 -1.51 116.25 118.59 1ubr h VAL 115 Ca 0.18 -1.01 -0.13 0.00 0.82 0.00 0.00 66.70 66.55 1ubr h VAL 115 Cb 0.54 0.95 -0.01 0.00 -1.52 0.00 0.00 31.29 31.24 1ubr h VAL 115 CO 0.03 0.35 -0.21 0.25 0.02 0.00 0.00 177.57 178.00 1ubr h LEU 116 N 0.67 1.03 -0.88 2.57 5.85 -0.96 -0.85 115.31 122.74 1ubr h LEU 116 Ca 0.13 -0.39 -0.01 0.00 0.84 0.00 0.00 57.88 58.45 1ubr h LEU 116 Cb 0.47 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 41.17 1ubr h LEU 116 CO 0.02 1.19 0.52 1.23 -0.34 0.00 0.00 178.44 181.06 1ubr h GLY 117 N 0.86 1.29 1.37 3.75 0.00 -0.49 -1.36 103.07 108.49 1ubr h GLY 117 Ca 0.11 -0.55 -0.04 0.00 0.00 0.00 0.00 47.33 46.84 1ubr h GLY 117 CO 0.07 0.53 0.15 0.00 0.00 0.00 0.00 176.54 177.29 1ubr h ALA 118 N 1.28 1.27 -0.55 3.60 0.00 -1.03 -2.46 119.26 121.37 1ubr h ALA 118 Ca 0.31 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 1ubr h ALA 118 Cb -0.03 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.52 1ubr h ALA 118 CO -0.06 0.52 0.34 0.37 0.00 0.00 0.00 179.25 180.42 1ubr h GLN 119 N 0.77 0.74 -0.85 0.00 5.75 -0.40 -1.85 115.11 119.27 1ubr h GLN 119 Ca 0.17 -0.06 0.03 0.00 -0.15 0.00 0.00 58.65 58.64 1ubr h GLN 119 Cb 0.25 -0.16 -0.05 0.00 1.07 0.00 0.00 27.48 28.59 1ubr h GLN 119 CO -0.01 0.53 0.54 1.88 -2.65 0.00 0.00 178.83 179.13 1ubr h TYR 120 N 0.74 1.02 -0.24 3.99 -1.99 -0.83 -0.45 116.97 119.21 1ubr h TYR 120 Ca 0.20 0.03 -0.08 0.00 2.00 0.00 0.00 58.73 60.87 1ubr h TYR 120 Cb -0.03 -0.34 -0.01 0.00 2.00 0.00 0.00 36.73 38.36 1ubr h TYR 120 CO -0.03 0.59 -0.16 -0.07 -0.00 0.00 0.00 178.16 178.49 1ubr h LEU 121 N 1.06 0.56 -0.25 3.88 3.38 -1.07 -0.79 115.31 122.08 1ubr h LEU 121 Ca 0.34 -0.44 0.01 0.00 0.09 0.00 0.00 57.88 57.88 1ubr h LEU 121 Cb 0.01 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.59 1ubr h LEU 121 CO -0.12 0.88 0.15 -0.74 0.09 0.00 0.00 178.44 178.70 1ubr h HIS 122 N 0.25 0.28 0.10 1.13 2.76 -1.12 -2.03 115.15 116.51 1ubr h HIS 122 Ca 0.05 0.01 -0.00 0.00 -2.20 0.00 0.00 60.37 58.22 1ubr h HIS 122 Cb 0.69 -0.09 0.00 0.00 1.55 0.00 0.00 27.41 29.56 1ubr h HIS 122 CO 0.07 0.17 -0.05 0.22 -1.30 0.00 0.00 177.93 177.04 1ubr h ASP 123 N 0.31 -0.11 -0.11 3.26 1.82 -0.99 -1.88 116.42 118.73 1ubr h ASP 123 Ca 0.10 -0.19 -0.11 0.00 -0.39 0.00 0.00 57.03 56.44 1ubr h ASP 123 Cb -0.01 0.03 -0.01 0.00 0.68 0.00 0.00 39.33 40.01 1ubr h ASP 123 CO -0.04 0.13 -0.27 0.45 -1.61 0.00 0.00 179.24 177.90 1ubr h HIS 124 N -0.35 0.64 -0.32 0.28 3.86 -1.14 0.96 115.15 119.08 1ubr h HIS 124 Ca -0.01 -0.15 -0.02 0.00 -1.16 0.00 0.00 60.37 59.03 1ubr h HIS 124 Cb 0.29 -0.15 -0.01 0.00 1.06 0.00 0.00 27.41 28.60 1ubr h HIS 124 CO -0.00 0.78 0.12 0.82 0.86 0.00 0.00 177.93 180.51 1ubr h ILE 125 N 0.49 1.19 -0.57 2.45 2.04 -1.21 -1.45 117.51 120.45 1ubr h ILE 125 Ca 0.07 -0.58 -0.06 0.00 1.00 0.00 0.00 64.86 65.29 1ubr h ILE 125 Cb 0.73 0.97 -0.03 0.00 -0.74 0.00 0.00 36.82 37.76 1ubr h ILE 125 CO 0.06 0.20 0.12 0.58 0.00 0.00 0.00 178.15 179.11 1ubr h VAL 126 N 0.36 1.24 0.09 1.67 2.07 -1.10 -2.39 116.25 118.20 1ubr h VAL 126 Ca 0.11 -0.89 -0.00 0.00 0.82 0.00 0.00 66.70 66.73 1ubr h VAL 126 Cb 0.20 0.67 0.00 0.00 -1.52 0.00 0.00 31.29 30.64 1ubr h VAL 126 CO -0.01 0.33 -0.05 -0.74 0.02 0.00 0.00 177.57 177.13 1ubr h HIS 127 N 0.86 -0.12 -0.22 1.57 -0.00 -0.54 0.22 115.15 116.93 1ubr h HIS 127 Ca 0.18 -0.00 -0.01 0.00 -0.00 0.00 0.00 60.37 60.55 1ubr h HIS 127 Cb 0.34 0.04 -0.01 0.00 -0.00 0.00 0.00 27.41 27.78 1ubr h HIS 127 CO 0.02 -0.01 0.11 0.35 -0.00 0.00 0.00 177.93 178.41 1ubr h PHE 128 N -0.20 0.30 0.01 5.26 3.04 -1.11 0.34 116.94 124.59 1ubr h PHE 128 Ca -0.01 -0.01 -0.00 0.00 3.98 0.00 0.00 57.97 61.93 1ubr h PHE 128 Cb 0.16 -0.10 0.00 0.00 2.56 0.00 0.00 35.95 38.58 1ubr h PHE 128 CO -0.05 0.28 -0.01 1.88 -2.02 0.00 0.00 178.31 178.40 1ubr h TYR 129 N 0.24 -0.02 0.00 0.41 0.05 -1.41 0.80 116.97 117.04 1ubr h TYR 129 Ca 0.08 -0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.86 1ubr h TYR 129 Cb 0.08 0.01 0.00 0.00 1.01 0.00 0.00 36.73 37.83 1ubr h TYR 129 CO -0.03 0.62 -1.08 0.72 -1.05 0.00 0.00 178.16 177.34 1ubr n HIS 130 N -4.69 0.81 -0.08 4.88 8.25 0.76 -3.56 115.22 121.59 1ubr n HIS 130 Ca -0.07 0.24 -0.14 0.00 -0.26 0.00 0.00 57.72 57.49 1ubr n HIS 130 Cb 0.31 -0.87 -0.07 0.00 1.12 0.00 0.00 29.99 30.48 1ubr n HIS 130 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1ubr n LEU 131 N -2.56 2.21 -0.01 2.41 4.77 -0.91 -4.86 117.00 118.05 1ubr n LEU 131 Ca -0.00 0.04 -0.21 0.00 -0.03 0.00 0.00 56.01 55.81 1ubr n LEU 131 Cb 0.54 -0.52 -0.14 0.00 -2.33 0.00 0.00 43.42 40.97 1ubr n LEU 131 CO 0.40 0.58 -0.86 1.57 -1.33 0.00 0.00 177.39 177.76 1ubr n HIS 132 N -3.29 1.15 0.25 -1.77 -0.00 0.12 -4.53 115.22 107.13 1ubr n HIS 132 Ca -0.30 0.24 0.09 0.00 0.46 0.00 0.00 57.72 58.22 1ubr n HIS 132 Cb 0.77 -1.15 0.64 0.00 -0.12 0.00 0.00 29.99 30.13 1ubr n HIS 132 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1ubr h ALA 133 N 0.07 1.58 0.00 1.57 0.00 -0.88 -0.67 119.26 120.92 1ubr h ALA 133 Ca -0.44 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.36 1ubr h ALA 133 Cb 2.02 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.79 1ubr h ALA 133 CO 0.07 0.15 0.00 1.28 0.00 0.00 0.00 179.25 180.75 1ubr n LEU 134 N -4.07 0.00 0.06 0.00 4.77 -1.26 -0.56 117.00 115.94 1ubr n LEU 134 Ca -0.02 0.40 0.13 0.00 -0.03 0.00 0.00 56.01 56.49 1ubr n LEU 134 Cb 0.20 -0.40 0.49 0.00 -2.33 0.00 0.00 43.42 41.38 1ubr n LEU 134 CO 0.33 -0.27 0.90 0.47 -1.33 0.00 0.00 177.39 177.49 1ubr n ASP 135 N -1.40 0.43 0.00 -1.43 8.00 -0.26 -4.23 116.55 117.65 1ubr n ASP 135 Ca 0.04 0.55 0.00 0.00 0.71 0.00 0.00 54.79 56.09 1ubr n ASP 135 Cb 0.10 -0.66 0.00 0.00 -0.02 0.00 0.00 41.12 40.54 1ubr n ASP 135 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1ubr n PHE 136 N -1.91 0.00 -4.05 1.24 3.01 -0.13 -4.95 117.46 110.67 1ubr n PHE 136 Ca 0.06 0.00 -0.35 0.00 1.01 0.00 0.00 57.45 58.17 1ubr n PHE 136 Cb 0.35 0.00 -0.12 0.00 -0.01 0.00 0.00 39.48 39.70 1ubr n PHE 136 CO 0.00 0.00 0.00 0.08 1.01 0.00 0.00 176.76 177.85 1ubr s VAL 137 N -1.12 4.01 -0.58 -4.37 1.01 0.28 -4.58 120.40 115.04 1ubr s VAL 137 Ca 0.00 -0.29 -0.20 0.00 0.00 0.00 0.00 61.98 61.49 1ubr s VAL 137 Cb 0.00 -2.82 0.08 0.00 0.00 0.00 0.00 36.38 33.65 1ubr s VAL 137 CO 0.00 0.42 0.74 -0.62 0.00 0.00 0.00 175.10 175.65 1ubr s ASP 138 N 1.01 6.20 0.26 3.32 -1.08 -1.26 -4.64 116.67 120.47 1ubr s ASP 138 Ca 0.02 -1.20 -0.04 0.00 -0.52 0.00 0.00 52.55 50.82 1ubr s ASP 138 Cb -0.14 -2.32 0.32 0.00 -1.46 0.00 0.00 42.92 39.31 1ubr s ASP 138 CO 0.02 -1.13 1.81 0.58 0.52 0.00 0.00 175.17 176.97 1ubr h VAL 139 N 5.92 1.24 0.00 1.11 2.07 -1.96 -2.76 116.25 121.88 1ubr h VAL 139 Ca -0.29 -0.81 -0.08 0.00 0.82 0.00 0.00 66.70 66.35 1ubr h VAL 139 Cb 1.09 0.53 -0.01 0.00 -1.52 0.00 0.00 31.29 31.37 1ubr h VAL 139 CO 1.08 0.31 -0.37 0.71 0.02 0.00 0.00 177.57 179.33 1ubr h THR 140 N 0.94 0.93 0.00 2.57 1.35 -1.96 -2.20 112.91 114.54 1ubr h THR 140 Ca 0.21 -1.47 0.00 0.00 -0.55 0.00 0.00 66.41 64.60 1ubr h THR 140 Cb 0.26 1.88 0.00 0.00 -1.73 0.00 0.00 68.15 68.56 1ubr h THR 140 CO -0.01 0.37 0.00 0.00 -0.25 0.00 0.00 175.52 175.63 1ubr h ALA 141 N 1.63 1.00 -0.03 6.62 0.00 -1.88 -2.24 119.26 124.36 1ubr h ALA 141 Ca -0.00 0.00 0.01 0.00 0.00 0.00 0.00 54.91 54.91 1ubr h ALA 141 Cb 0.86 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.64 1ubr h ALA 141 CO 0.05 0.00 0.03 0.00 0.00 0.00 0.00 179.25 179.33 1ubr h ALA 142 N 2.03 1.58 0.00 0.00 0.00 -1.40 -1.14 119.26 120.33 1ubr h ALA 142 Ca 0.00 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1ubr h ALA 142 Cb 0.35 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 1ubr h ALA 142 CO 0.00 -0.04 -0.12 -0.07 0.00 0.00 0.00 179.25 179.02 1ubr h LEU 143 N 0.00 0.00 -1.32 0.00 4.07 -1.55 -2.44 115.31 114.07 1ubr h LEU 143 Ca 0.01 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.97 1ubr h LEU 143 Cb 0.07 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.81 1ubr h LEU 143 CO -0.00 0.12 0.00 2.29 -1.08 0.00 0.00 178.44 179.77 1ubr n LYS 144 N -3.54 1.91 -1.76 1.13 2.85 -0.43 -4.95 118.16 113.36 1ubr n LYS 144 Ca -0.01 -1.32 -0.32 0.00 -1.05 0.00 0.00 58.31 55.61 1ubr n LYS 144 Cb 0.26 -1.47 0.04 0.00 -0.65 0.00 0.00 35.03 33.20 1ubr n LYS 144 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1ubr s ALA 145 N -1.97 2.63 -0.47 0.58 0.00 -0.92 -4.95 121.76 116.66 1ubr s ALA 145 Ca 0.35 0.30 -0.23 0.00 0.00 0.00 0.00 51.96 52.37 1ubr s ALA 145 Cb 0.20 -3.23 0.03 0.00 0.00 0.00 0.00 23.12 20.13 1ubr s ALA 145 CO 0.32 -1.12 0.81 0.34 0.00 0.00 0.00 175.76 176.11 1ubr s ASP 146 N -3.15 6.39 0.43 0.00 -1.08 -1.26 -4.95 116.67 113.05 1ubr s ASP 146 Ca 0.62 -0.18 0.20 0.00 -0.52 0.00 0.00 52.55 52.67 1ubr s ASP 146 Cb -0.16 -2.39 0.97 0.00 -1.46 0.00 0.00 42.92 39.88 1ubr s ASP 146 CO 0.46 -0.98 1.88 1.55 0.52 0.00 0.00 175.17 178.60 1ubr h PRO 147 N 9.05 0.00 -0.35 4.34 0.13 -1.94 0.27 132.00 143.49 1ubr h PRO 147 Ca -0.25 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.81 1ubr h PRO 147 Cb 1.08 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.20 1ubr h PRO 147 CO 0.99 0.27 -0.06 0.00 -0.23 0.00 0.00 178.00 178.97 1ubr h ALA 148 N 1.73 0.48 -0.57 -0.56 0.00 -1.93 -0.06 119.26 118.35 1ubr h ALA 148 Ca -0.00 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.60 1ubr h ALA 148 Cb 0.62 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.26 1ubr h ALA 148 CO 0.04 0.31 0.30 -0.22 0.00 0.00 0.00 179.25 179.68 1ubr h LYS 149 N 0.46 0.81 -0.70 0.00 3.64 -1.88 -2.50 116.57 116.40 1ubr h LYS 149 Ca 0.09 -0.10 -0.02 0.00 -1.27 0.00 0.00 60.65 59.35 1ubr h LYS 149 Cb 0.56 -0.15 -0.03 0.00 -0.41 0.00 0.00 32.23 32.19 1ubr h LYS 149 CO 0.03 0.64 0.35 0.00 -2.27 0.00 0.00 179.45 178.20 1ubr h ALA 150 N 1.13 0.90 -0.76 5.00 0.00 -0.80 -1.59 119.26 123.15 1ubr h ALA 150 Ca 0.20 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 1ubr h ALA 150 Cb 0.07 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.55 1ubr h ALA 150 CO -0.03 0.44 0.33 0.00 0.00 0.00 0.00 179.25 179.99 1ubr h ALA 151 N 1.17 1.14 -0.59 0.00 0.00 -0.74 -0.14 119.26 120.11 1ubr h ALA 151 Ca 0.24 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 1ubr h ALA 151 Cb 0.09 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.55 1ubr h ALA 151 CO -0.03 0.63 0.26 0.87 0.00 0.00 0.00 179.25 180.97 1ubr h LYS 152 N 1.09 0.87 -0.23 0.00 1.57 -1.07 0.70 116.57 119.50 1ubr h LYS 152 Ca 0.26 -0.14 -0.01 0.00 -1.87 0.00 0.00 60.65 58.88 1ubr h LYS 152 Cb 0.17 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.32 1ubr h LYS 152 CO -0.03 0.72 0.09 0.28 -0.57 0.00 0.00 179.45 179.95 1ubr h VAL 153 N 0.81 1.17 -0.64 0.50 2.07 -0.78 -1.68 116.25 117.70 1ubr h VAL 153 Ca 0.20 -0.51 0.01 0.00 0.82 0.00 0.00 66.70 67.22 1ubr h VAL 153 Cb 0.16 1.08 -0.03 0.00 -1.52 0.00 0.00 31.29 30.98 1ubr h VAL 153 CO -0.02 0.17 0.42 0.00 0.02 0.00 0.00 177.57 178.16 1ubr h ALA 154 N 0.93 1.56 0.00 1.67 0.00 -0.78 -1.69 119.26 120.94 1ubr h ALA 154 Ca 0.08 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1ubr h ALA 154 Cb 0.18 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.71 1ubr h ALA 154 CO -0.01 0.41 0.00 0.77 0.00 0.00 0.00 179.25 180.42 1ubr h SER 155 N 0.86 0.00 1.74 0.00 0.02 -0.63 -3.06 113.55 112.48 1ubr h SER 155 Ca 0.24 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 61.14 1ubr h SER 155 Cb -0.08 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.45 1ubr h SER 155 CO -0.05 0.00 -0.26 0.77 -1.14 0.00 0.00 176.83 176.15 1ubr h SER 156 N 0.00 0.00 -0.01 3.07 4.64 -0.35 -3.34 113.55 117.56 1ubr h SER 156 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1ubr h SER 156 Cb 0.72 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.81 1ubr h SER 156 CO 0.00 0.21 -0.59 2.30 -0.87 0.00 0.00 176.83 177.88 1ubr n ILE 157 N -3.13 0.00 -3.92 0.95 -5.35 -1.10 -4.96 119.36 101.85 1ubr n ILE 157 Ca 0.03 -0.20 -0.10 0.00 -0.27 0.00 0.00 62.75 62.20 1ubr n ILE 157 Cb 0.62 1.18 -0.10 0.00 -1.74 0.00 0.00 39.64 39.60 1ubr n ILE 157 CO 0.00 0.00 0.00 -0.55 -1.76 0.00 0.00 176.55 174.24 1ubr s SER 158 N -2.53 0.12 0.55 7.28 0.15 -1.20 -4.76 113.70 113.32 1ubr s SER 158 Ca 0.15 -0.33 0.34 0.00 0.70 0.00 0.00 55.95 56.81 1ubr s SER 158 Cb 0.17 0.16 1.38 0.00 -1.71 0.00 0.00 66.02 66.01 1ubr s SER 158 CO 0.62 -0.34 1.99 1.55 1.20 0.00 0.00 173.24 178.26 1ubr h PRO 159 N 4.45 0.00 -6.36 5.44 0.13 -1.85 -3.43 132.00 130.38 1ubr h PRO 159 Ca -0.31 0.00 -0.54 0.00 -0.87 0.00 0.00 66.00 64.27 1ubr h PRO 159 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1ubr h PRO 159 CO 0.41 0.00 0.92 0.50 -0.23 0.00 0.00 178.00 179.60 1ubr s ARG 160 N -3.67 4.24 -0.04 0.86 3.52 -1.26 -4.99 118.95 117.61 1ubr s ARG 160 Ca 0.01 2.07 -0.30 0.00 -0.13 0.00 0.00 55.73 57.38 1ubr s ARG 160 Cb 0.09 -3.66 -0.03 0.00 -1.56 0.00 0.00 34.95 29.79 1ubr s ARG 160 CO 0.54 -0.66 1.09 0.15 -0.81 0.00 0.00 175.30 175.61 1ubr s LYS 161 N 2.79 4.43 -0.09 5.12 -0.14 -1.26 -4.57 119.74 126.02 1ubr s LYS 161 Ca 0.67 1.54 0.04 0.00 -1.36 0.00 0.00 55.97 56.86 1ubr s LYS 161 Cb -0.33 -3.50 -0.01 0.00 -1.68 0.00 0.00 37.83 32.31 1ubr s LYS 161 CO 0.28 -0.29 -0.22 0.99 -0.76 0.00 0.00 175.35 175.34 1ubr s THR 162 N 1.73 2.29 0.36 2.17 2.01 -1.26 -5.05 115.64 117.89 1ubr s THR 162 Ca 0.53 -0.96 0.08 0.00 0.31 0.00 0.00 61.69 61.65 1ubr s THR 162 Cb -0.22 -1.88 -0.03 0.00 0.01 0.00 0.00 72.50 70.38 1ubr s THR 162 CO 0.23 0.56 0.28 0.42 -0.69 0.00 0.00 174.62 175.42 1ubr s THR 163 N 0.10 3.20 0.24 -0.82 -4.23 -1.26 -4.62 115.64 108.25 1ubr s THR 163 Ca -0.11 -1.43 -0.04 0.00 -1.18 0.00 0.00 61.69 58.93 1ubr s THR 163 Cb -0.16 -3.10 0.21 0.00 1.34 0.00 0.00 72.50 70.79 1ubr s THR 163 CO 0.06 -0.13 1.80 0.00 -0.54 0.00 0.00 174.62 175.81 1ubr h ALA 164 N 1.25 1.15 -0.44 3.99 0.00 -1.87 -1.45 119.26 121.89 1ubr h ALA 164 Ca -0.44 0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.45 1ubr h ALA 164 Cb 1.26 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.93 1ubr h ALA 164 CO 0.59 0.04 -0.02 0.00 0.00 0.00 0.00 179.25 179.87 1ubr h ALA 165 N 1.46 1.15 -0.50 0.00 0.00 -1.96 0.10 119.26 119.52 1ubr h ALA 165 Ca 0.40 -0.26 0.08 0.00 0.00 0.00 0.00 54.91 55.13 1ubr h ALA 165 Cb 0.41 -0.18 -0.06 0.00 0.00 0.00 0.00 17.79 17.95 1ubr h ALA 165 CO -0.27 0.55 0.14 -0.44 0.00 0.00 0.00 179.25 179.23 1ubr h ASP 166 N 0.68 0.10 1.18 0.00 3.32 -1.69 -1.37 116.42 118.64 1ubr h ASP 166 Ca 0.13 0.07 -0.14 0.00 0.02 0.00 0.00 57.03 57.12 1ubr h ASP 166 Cb 0.44 0.08 -0.02 0.00 0.22 0.00 0.00 39.33 40.05 1ubr h ASP 166 CO 0.02 0.08 -0.86 -0.07 -1.72 0.00 0.00 179.24 176.69 1ubr h LEU 167 N 0.30 0.00 -1.04 1.55 3.38 -0.89 -3.10 115.31 115.52 1ubr h LEU 167 Ca 0.25 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.19 1ubr h LEU 167 Cb 0.30 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.01 1ubr h LEU 167 CO -0.28 0.57 0.37 0.50 0.09 0.00 0.00 178.44 179.69 1ubr h LYS 168 N 0.00 1.05 -0.97 1.13 3.64 -0.45 -1.49 116.57 119.49 1ubr h LYS 168 Ca -0.06 -0.14 0.05 0.00 -1.27 0.00 0.00 60.65 59.23 1ubr h LYS 168 Cb 1.49 -0.20 -0.06 0.00 -0.41 0.00 0.00 32.23 33.05 1ubr h LYS 168 CO 0.06 0.80 0.63 0.00 -2.27 0.00 0.00 179.45 178.68 1ubr h ALA 169 N 1.36 1.40 -0.38 5.00 0.00 -1.18 0.28 119.26 125.73 1ubr h ALA 169 Ca 0.26 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 55.07 1ubr h ALA 169 Cb 0.08 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 1ubr h ALA 169 CO -0.04 0.49 -0.01 0.28 0.00 0.00 0.00 179.25 179.97 1ubr h VAL 170 N 1.19 1.26 -0.76 0.00 2.07 -1.40 -1.98 116.25 116.63 1ubr h VAL 170 Ca 0.40 -1.02 0.00 0.00 0.82 0.00 0.00 66.70 66.91 1ubr h VAL 170 Cb 0.07 1.16 -0.04 0.00 -1.52 0.00 0.00 31.29 30.97 1ubr h VAL 170 CO -0.14 0.34 0.49 -0.61 0.02 0.00 0.00 177.57 177.67 1ubr h GLN 171 N 0.50 1.01 -0.56 1.57 4.15 -0.53 0.10 115.11 121.36 1ubr h GLN 171 Ca 0.11 -0.07 -0.03 0.00 0.77 0.00 0.00 58.65 59.42 1ubr h GLN 171 Cb 0.48 -0.22 -0.02 0.00 0.21 0.00 0.00 27.48 27.93 1ubr h GLN 171 CO 0.02 0.69 0.22 -0.44 -1.93 0.00 0.00 178.83 177.40 1ubr h ASP 172 N 1.04 0.77 -0.45 -0.69 3.45 -0.42 0.17 116.42 120.29 1ubr h ASP 172 Ca 0.28 -0.17 -0.03 0.00 0.43 0.00 0.00 57.03 57.54 1ubr h ASP 172 Cb -0.09 -0.20 -0.02 0.00 -0.56 0.00 0.00 39.33 38.46 1ubr h ASP 172 CO -0.06 0.73 0.16 0.50 -1.57 0.00 0.00 179.24 179.00 1ubr h LYS 173 N 0.76 0.69 -0.27 3.56 1.63 -0.91 -2.03 116.57 120.00 1ubr h LYS 173 Ca 0.19 -0.14 -0.10 0.00 -0.85 0.00 0.00 60.65 59.75 1ubr h LYS 173 Cb 0.20 -0.11 -0.01 0.00 -0.60 0.00 0.00 32.23 31.71 1ubr h LYS 173 CO -0.02 0.65 -0.25 1.25 -3.45 0.00 0.00 179.45 177.64 1ubr h LEU 174 N 0.59 0.53 -0.25 5.20 6.46 -0.47 -2.44 115.31 124.93 1ubr h LEU 174 Ca 0.15 -0.18 -0.00 0.00 -0.12 0.00 0.00 57.88 57.73 1ubr h LEU 174 Cb 0.23 -0.14 -0.01 0.00 -0.73 0.00 0.00 40.66 40.01 1ubr h LEU 174 CO -0.01 0.77 0.14 0.50 -0.62 0.00 0.00 178.44 179.22 1ubr h LYS 175 N 0.46 0.34 -0.92 1.25 3.64 -0.39 0.99 116.57 121.95 1ubr h LYS 175 Ca 0.07 -0.04 0.01 0.00 -1.27 0.00 0.00 60.65 59.42 1ubr h LYS 175 Cb 0.68 -0.07 -0.05 0.00 -0.41 0.00 0.00 32.23 32.38 1ubr h LYS 175 CO 0.05 0.29 0.60 1.15 -2.27 0.00 0.00 179.45 179.27 1ubr h THR 176 N 0.30 1.24 0.34 1.00 2.02 -1.17 -0.18 112.91 116.46 1ubr h THR 176 Ca 0.09 -0.45 -0.01 0.00 0.77 0.00 0.00 66.41 66.81 1ubr h THR 176 Cb 0.04 -0.11 0.00 0.00 -1.74 0.00 0.00 68.15 66.34 1ubr h THR 176 CO -0.02 0.23 -0.18 0.15 0.37 0.00 0.00 175.52 176.08 1ubr h PHE 177 N 1.25 -0.46 -0.51 3.16 3.04 -1.15 -2.61 116.94 119.66 1ubr h PHE 177 Ca 0.34 -0.01 -0.10 0.00 3.98 0.00 0.00 57.97 62.17 1ubr h PHE 177 Cb -0.13 0.15 -0.02 0.00 2.56 0.00 0.00 35.95 38.51 1ubr h PHE 177 CO -0.01 -0.28 -0.09 0.28 -2.02 0.00 0.00 178.31 176.19 1ubr h VAL 178 N -0.47 1.26 0.00 1.41 2.07 -0.54 -2.34 116.25 117.64 1ubr h VAL 178 Ca -0.04 -1.21 0.00 0.00 0.82 0.00 0.00 66.70 66.27 1ubr h VAL 178 Cb 0.37 0.97 0.00 0.00 -1.52 0.00 0.00 31.29 31.11 1ubr h VAL 178 CO 0.06 0.42 0.00 -0.62 0.02 0.00 0.00 177.57 177.46 1ubr n GLU 179 N -4.16 0.00 0.01 1.57 1.02 -0.10 -1.34 120.64 117.65 1ubr n GLU 179 Ca 0.02 0.20 0.12 0.00 -0.02 0.00 0.00 57.16 57.47 1ubr n GLU 179 Cb 0.38 -1.50 0.50 0.00 -0.02 0.00 0.00 31.44 30.79 1ubr n GLU 179 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 1ubr n THR 180 N -1.51 0.40 -0.04 2.62 -2.24 -0.88 -4.90 114.28 107.72 1ubr n THR 180 Ca 0.04 0.07 0.00 0.00 -2.27 0.00 0.00 64.05 61.89 1ubr n THR 180 Cb 0.20 -0.69 0.00 0.00 -2.10 0.00 0.00 70.33 67.74 1ubr n THR 180 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ubr n GLY 181 N 0.94 2.61 3.31 3.38 0.00 -0.45 -4.95 105.19 110.03 1ubr n GLY 181 Ca 0.06 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.62 1ubr n GLY 181 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1ubr s GLN 182 N -0.10 3.63 0.06 1.61 -0.21 -1.26 -4.88 119.66 118.52 1ubr s GLN 182 Ca 0.00 -2.63 0.26 0.00 0.02 0.00 0.00 55.36 53.01 1ubr s GLN 182 Cb 0.00 -4.39 1.03 0.00 1.00 0.00 0.00 33.01 30.64 1ubr s GLN 182 CO 0.00 -1.27 1.81 1.28 -2.12 0.00 0.00 175.29 174.98 1ubr n LEU 183 N 3.66 0.23 0.00 2.90 7.99 -1.26 -4.84 117.00 125.67 1ubr n LEU 183 Ca 0.15 0.53 0.00 0.00 -0.01 0.00 0.00 56.01 56.68 1ubr n LEU 183 Cb 0.45 -0.46 0.00 0.00 -0.11 0.00 0.00 43.42 43.29 1ubr n LEU 183 CO 0.36 -0.12 0.00 0.61 -1.51 0.00 0.00 177.39 176.73 1ubr n GLY 184 N 1.11 3.70 0.01 -0.72 0.00 -1.26 -0.66 105.19 107.36 1ubr n GLY 184 Ca 0.06 0.03 0.05 0.00 0.00 0.00 0.00 46.02 46.16 1ubr n GLY 184 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1ubr n PRO 185 N 14.00 0.01 -0.06 1.61 -0.04 -1.26 -1.28 135.00 147.99 1ubr n PRO 185 Ca 0.00 0.37 0.12 0.00 -0.04 0.00 0.00 63.50 63.95 1ubr n PRO 185 Cb 0.00 -1.54 0.24 0.00 -0.04 0.00 0.00 33.50 32.17 1ubr n PRO 185 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1ubr n PHE 186 N -1.56 0.15 -1.68 0.54 3.72 0.16 -4.90 117.46 113.89 1ubr n PHE 186 Ca 0.02 -0.08 -0.45 0.00 -0.05 0.00 0.00 57.45 56.89 1ubr n PHE 186 Cb 0.10 0.00 -0.04 0.00 -0.94 0.00 0.00 39.48 38.60 1ubr n PHE 186 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 176.76 179.12 1ubr n THR 187 N 1.04 0.04 -1.98 4.37 -1.04 -0.40 -1.63 114.28 114.67 1ubr n THR 187 Ca 0.17 -0.01 -0.21 0.00 -2.04 0.00 0.00 64.05 61.96 1ubr n THR 187 Cb 0.52 -1.60 -0.05 0.00 -1.82 0.00 0.00 70.33 67.38 1ubr n THR 187 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 1ubr n ASN 188 N 3.44 -5.70 -4.69 8.00 5.03 -1.26 -4.94 115.26 115.14 1ubr n ASN 188 Ca 0.17 0.26 -0.38 0.00 0.87 0.00 0.00 54.58 55.50 1ubr n ASN 188 Cb 0.30 -4.88 0.05 0.00 -1.02 0.00 0.00 39.78 34.23 1ubr n ASN 188 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1ubr n ALA 189 N -0.23 0.89 0.30 5.41 0.00 -0.64 -4.86 120.51 121.37 1ubr n ALA 189 Ca -0.23 0.05 0.18 0.00 0.00 0.00 0.00 53.44 53.44 1ubr n ALA 189 Cb 0.69 -2.25 0.93 0.00 0.00 0.00 0.00 19.45 18.81 1ubr n ALA 189 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.50 179.38 1ubr h TYR 190 N 0.80 0.00 0.00 0.00 0.99 -1.92 -1.60 116.97 115.24 1ubr h TYR 190 Ca -0.50 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.23 1ubr h TYR 190 Cb 1.34 0.00 0.00 0.00 1.00 0.00 0.00 36.73 39.07 1ubr h TYR 190 CO 0.41 0.04 -0.36 1.97 -0.00 0.00 0.00 178.16 180.21 1ubr n PHE 191 N -3.30 0.27 -1.72 4.88 1.16 -1.26 -4.67 117.46 112.82 1ubr n PHE 191 Ca -0.02 0.08 -0.42 0.00 -1.87 0.00 0.00 57.45 55.22 1ubr n PHE 191 Cb 0.18 -0.51 -0.03 0.00 -1.61 0.00 0.00 39.48 37.51 1ubr n PHE 191 CO 0.00 0.00 0.00 1.28 -1.87 0.00 0.00 176.76 176.17 1ubr n LEU 192 N -1.77 4.00 0.00 5.98 4.77 -0.61 -0.48 117.00 128.89 1ubr n LEU 192 Ca 0.05 1.08 0.00 0.00 -0.03 0.00 0.00 56.01 57.11 1ubr n LEU 192 Cb 0.38 -1.57 0.00 0.00 -2.33 0.00 0.00 43.42 39.90 1ubr n LEU 192 CO 0.33 0.14 0.00 0.61 -1.33 0.00 0.00 177.39 177.14 1ubr n GLY 193 N 3.63 1.80 0.00 -0.72 0.00 -1.26 -4.81 105.19 103.82 1ubr n GLY 193 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 1ubr n GLY 193 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ubr n GLY 194 N -2.00 1.77 3.53 -0.02 0.00 0.36 -5.10 105.19 103.74 1ubr n GLY 194 Ca 0.00 -1.75 -0.09 0.00 0.00 0.00 0.00 46.02 44.18 1ubr n GLY 194 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1ubr s HIS 195 N -2.44 -0.91 0.28 1.61 5.04 -1.26 -4.84 115.29 112.78 1ubr s HIS 195 Ca 0.00 1.87 0.37 0.00 -1.54 0.00 0.00 55.06 55.76 1ubr s HIS 195 Cb 0.00 0.50 1.82 0.00 0.04 0.00 0.00 32.58 34.95 1ubr s HIS 195 CO 0.00 -0.46 2.11 -1.00 -2.34 0.00 0.00 174.74 173.05 1ubr h PRO 196 N 6.84 0.00 -0.11 2.88 0.13 -1.98 -1.55 132.00 138.21 1ubr h PRO 196 Ca -0.32 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.81 1ubr h PRO 196 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1ubr h PRO 196 CO 0.19 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 177.96 1ubr n ALA 197 N -2.02 2.51 -2.60 -0.56 0.00 -1.26 -4.79 120.51 111.80 1ubr n ALA 197 Ca -0.01 -0.60 -0.39 0.00 0.00 0.00 0.00 53.44 52.44 1ubr n ALA 197 Cb 0.15 -1.02 -0.10 0.00 0.00 0.00 0.00 19.45 18.48 1ubr n ALA 197 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 1ubr s TYR 198 N -1.87 3.24 -0.22 0.00 1.51 -0.58 -4.98 117.35 114.45 1ubr s TYR 198 Ca 0.34 0.31 0.11 0.00 -1.01 0.00 0.00 57.07 56.82 1ubr s TYR 198 Cb 0.20 -2.50 -0.15 0.00 -0.11 0.00 0.00 41.96 39.40 1ubr s TYR 198 CO 0.31 -0.19 0.33 0.66 -1.11 0.00 0.00 175.55 175.55 1ubr n TYR 199 N 5.18 0.00 -2.37 2.71 4.01 -1.26 -4.84 117.16 120.60 1ubr n TYR 199 Ca -0.11 0.00 -0.35 0.00 -0.16 0.00 0.00 57.90 57.29 1ubr n TYR 199 Cb 0.51 -0.15 -0.01 0.00 -0.31 0.00 0.00 39.34 39.38 1ubr n TYR 199 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 1ubr s LEU 200 N -3.26 3.82 0.74 7.72 1.02 -1.26 -5.02 118.68 122.44 1ubr s LEU 200 Ca -0.01 2.10 -0.12 0.00 0.02 0.00 0.00 54.13 56.12 1ubr s LEU 200 Cb 0.08 -4.52 0.03 0.00 0.02 0.00 0.00 46.19 41.79 1ubr s LEU 200 CO 0.46 -1.01 1.12 1.51 0.02 0.00 0.00 176.35 178.45 1ubr s ASP 201 N -1.79 5.16 0.35 2.29 1.47 -1.26 -4.84 116.67 118.04 1ubr s ASP 201 Ca 0.69 1.06 0.04 0.00 1.18 0.00 0.00 52.55 55.52 1ubr s ASP 201 Cb -0.22 -1.79 0.67 0.00 -0.34 0.00 0.00 42.92 41.24 1ubr s ASP 201 CO 0.25 -1.52 1.97 -0.65 0.68 0.00 0.00 175.17 175.91 1ubr h PRO 202 N -0.78 0.81 -0.32 2.11 0.11 -1.94 -1.74 132.00 130.25 1ubr h PRO 202 Ca -0.45 -0.05 -0.10 0.00 0.11 0.00 0.00 66.00 65.51 1ubr h PRO 202 Cb 1.27 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 32.19 1ubr h PRO 202 CO 0.64 0.54 -0.19 0.93 -0.21 0.00 0.00 178.00 179.71 1ubr h GLU 203 N 0.84 0.70 -0.43 1.05 3.07 -1.90 0.17 114.58 118.08 1ubr h GLU 203 Ca 0.29 -0.32 -0.08 0.00 -0.50 0.00 0.00 59.36 58.75 1ubr h GLU 203 Cb 0.11 -0.01 -0.02 0.00 -0.84 0.00 0.00 28.75 27.99 1ubr h GLU 203 CO -0.09 0.92 -0.08 1.15 -1.40 0.00 0.00 179.01 179.52 1ubr h THR 204 N 0.46 1.25 -0.97 1.13 2.02 -1.87 -0.37 112.91 114.55 1ubr h THR 204 Ca 0.07 -1.10 0.02 0.00 0.77 0.00 0.00 66.41 66.17 1ubr h THR 204 Cb 0.74 1.01 -0.05 0.00 -1.74 0.00 0.00 68.15 68.10 1ubr h THR 204 CO 0.05 0.38 0.64 0.78 0.37 0.00 0.00 175.52 177.74 1ubr h ASN 205 N 0.68 1.11 -0.30 4.18 -0.26 -1.00 -1.34 115.58 118.65 1ubr h ASN 205 Ca 0.12 -0.02 -0.11 0.00 -0.56 0.00 0.00 56.30 55.73 1ubr h ASN 205 Cb 0.53 -0.27 -0.01 0.00 -1.06 0.00 0.00 38.32 37.52 1ubr h ASN 205 CO 0.03 0.79 -0.24 0.25 -1.06 0.00 0.00 177.43 177.20 1ubr h LEU 206 N 1.30 0.73 -0.53 1.61 5.85 -0.44 -0.40 115.31 123.43 1ubr h LEU 206 Ca 0.36 -0.45 0.02 0.00 0.84 0.00 0.00 57.88 58.65 1ubr h LEU 206 Cb -0.12 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 40.67 1ubr h LEU 206 CO -0.09 1.03 0.32 0.40 -0.34 0.00 0.00 178.44 179.76 1ubr h ILE 207 N 0.44 1.07 -0.62 4.05 2.04 -0.84 -0.01 117.51 123.64 1ubr h ILE 207 Ca 0.05 -0.22 -0.07 0.00 1.00 0.00 0.00 64.86 65.62 1ubr h ILE 207 Cb 0.80 0.37 -0.03 0.00 -0.74 0.00 0.00 36.82 37.23 1ubr h ILE 207 CO 0.06 0.12 0.09 0.00 0.00 0.00 0.00 178.15 178.42 1ubr h ALA 208 N 1.23 0.99 -0.42 1.87 0.00 -1.17 -1.38 119.26 120.38 1ubr h ALA 208 Ca 0.21 -0.26 -0.09 0.00 0.00 0.00 0.00 54.91 54.76 1ubr h ALA 208 Cb 0.00 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 1ubr h ALA 208 CO -0.09 0.64 -0.10 1.15 0.00 0.00 0.00 179.25 180.85 1ubr h THR 209 N 0.95 1.27 -0.75 0.00 2.02 -0.79 0.17 112.91 115.78 1ubr h THR 209 Ca 0.19 -1.20 0.07 0.00 0.77 0.00 0.00 66.41 66.24 1ubr h THR 209 Cb 0.42 1.18 -0.06 0.00 -1.74 0.00 0.00 68.15 67.96 1ubr h THR 209 CO 0.01 0.40 0.43 0.00 0.37 0.00 0.00 175.52 176.74 1ubr h ALA 210 N 0.86 1.04 -0.01 6.16 0.00 -0.75 -1.72 119.26 124.84 1ubr h ALA 210 Ca 0.11 0.02 -0.18 0.00 0.00 0.00 0.00 54.91 54.85 1ubr h ALA 210 Cb 0.63 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 1ubr h ALA 210 CO 0.04 0.11 -0.82 0.45 0.00 0.00 0.00 179.25 179.03 1ubr h HIS 211 N 0.77 0.24 -0.31 0.00 3.86 -0.96 0.11 115.15 118.86 1ubr h HIS 211 Ca 0.34 -0.12 0.06 0.00 -1.16 0.00 0.00 60.37 59.49 1ubr h HIS 211 Cb 0.24 -0.03 -0.06 0.00 1.06 0.00 0.00 27.41 28.62 1ubr h HIS 211 CO -0.06 0.91 -0.10 -0.92 0.86 0.00 0.00 177.93 178.61 1ubr h TYR 212 N 0.10 -0.23 -0.40 2.45 3.20 -0.43 0.70 116.97 122.36 1ubr h TYR 212 Ca -0.03 0.03 -0.05 0.00 3.14 0.00 0.00 58.73 61.82 1ubr h TYR 212 Cb 1.43 0.15 -0.02 0.00 1.54 0.00 0.00 36.73 39.83 1ubr h TYR 212 CO 0.02 -0.16 0.05 -0.07 -1.64 0.00 0.00 178.16 176.36 1ubr h LEU 213 N -0.03 0.65 -0.84 2.82 4.07 -1.06 -2.41 115.31 118.52 1ubr h LEU 213 Ca 0.15 -0.27 0.05 0.00 0.08 0.00 0.00 57.88 57.89 1ubr h LEU 213 Cb 0.27 -0.17 -0.06 0.00 1.08 0.00 0.00 40.66 41.77 1ubr h LEU 213 CO -0.34 0.76 0.52 -0.08 -1.08 0.00 0.00 178.44 178.23 1ubr h GLU 214 N 0.52 0.95 0.00 1.13 4.81 -0.71 -1.93 114.58 119.35 1ubr h GLU 214 Ca 0.12 -0.06 -0.03 0.00 -0.13 0.00 0.00 59.36 59.26 1ubr h GLU 214 Cb 0.40 -0.21 -0.00 0.00 0.63 0.00 0.00 28.75 29.56 1ubr h GLU 214 CO 0.01 0.63 -0.15 0.00 -0.73 0.00 0.00 179.01 178.77 1ubr h ALA 215 N 1.38 1.68 -0.63 2.92 0.00 -0.61 -0.19 119.26 123.82 1ubr h ALA 215 Ca 0.35 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.13 1ubr h ALA 215 Cb 0.12 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 1ubr h ALA 215 CO -0.15 0.19 0.40 -0.07 0.00 0.00 0.00 179.25 179.62 1ubr h LEU 216 N 0.00 0.72 0.11 0.00 3.38 -0.85 -0.48 115.31 118.20 1ubr h LEU 216 Ca -0.00 -0.02 -0.32 0.00 0.09 0.00 0.00 57.88 57.63 1ubr h LEU 216 Cb 0.28 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 1ubr h LEU 216 CO 0.02 0.53 -1.65 0.03 0.09 0.00 0.00 178.44 177.46 1ubr h ARG 217 N 0.85 0.23 -0.33 1.13 3.08 -1.41 -3.35 114.38 114.58 1ubr h ARG 217 Ca 0.23 -0.40 -0.02 0.00 0.07 0.00 0.00 59.98 59.86 1ubr h ARG 217 Cb -0.08 0.15 -0.02 0.00 0.08 0.00 0.00 29.97 30.10 1ubr h ARG 217 CO -0.05 1.07 0.13 1.25 -1.07 0.00 0.00 179.97 181.30 1ubr h LEU 218 N 0.06 0.42 -1.63 3.04 5.85 -0.79 -1.88 115.31 120.38 1ubr h LEU 218 Ca -0.29 -0.04 -0.03 0.00 0.84 0.00 0.00 57.88 58.37 1ubr h LEU 218 Cb 2.03 -0.11 -0.00 0.00 0.37 0.00 0.00 40.66 42.95 1ubr h LEU 218 CO 0.14 0.39 -0.12 0.06 -0.34 0.00 0.00 178.44 178.57 1ubr h GLN 219 N 0.47 0.00 -0.61 1.25 -0.00 -1.22 -0.33 115.11 114.67 1ubr h GLN 219 Ca 0.12 0.00 0.04 0.00 -0.00 0.00 0.00 58.65 58.81 1ubr h GLN 219 Cb 0.11 0.00 -0.05 0.00 -0.00 0.00 0.00 27.48 27.55 1ubr h GLN 219 CO -0.01 0.12 0.35 0.28 -0.00 0.00 0.00 178.83 179.57 1ubr h VAL 220 N 0.00 1.02 -0.49 1.86 2.07 -1.49 -0.47 116.25 118.75 1ubr h VAL 220 Ca -0.00 -0.23 -0.13 0.00 0.82 0.00 0.00 66.70 67.15 1ubr h VAL 220 Cb 0.49 0.28 -0.01 0.00 -1.52 0.00 0.00 31.29 30.53 1ubr h VAL 220 CO 0.02 0.12 -0.21 0.11 0.02 0.00 0.00 177.57 177.63 1ubr h LYS 221 N 0.68 1.00 -0.84 1.57 1.57 -1.16 -0.26 116.57 119.13 1ubr h LYS 221 Ca 0.26 -0.43 -0.03 0.00 -1.87 0.00 0.00 60.65 58.59 1ubr h LYS 221 Cb 0.09 -0.03 -0.04 0.00 0.08 0.00 0.00 32.23 32.33 1ubr h LYS 221 CO -0.14 1.11 0.42 0.00 -0.57 0.00 0.00 179.45 180.27 1ubr h ALA 222 N 0.88 1.16 -0.06 3.86 0.00 -0.99 -1.92 119.26 122.18 1ubr h ALA 222 Ca 0.11 -0.15 -0.19 0.00 0.00 0.00 0.00 54.91 54.68 1ubr h ALA 222 Cb 0.79 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 18.24 1ubr h ALA 222 CO 0.07 0.65 -0.77 0.00 0.00 0.00 0.00 179.25 179.20 1ubr h ALA 223 N 1.27 0.55 -0.40 0.00 0.00 -1.00 -3.00 119.26 116.68 1ubr h ALA 223 Ca 0.29 -0.63 0.03 0.00 0.00 0.00 0.00 54.91 54.60 1ubr h ALA 223 Cb 0.09 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 1ubr h ALA 223 CO -0.04 0.77 0.27 -0.09 0.00 0.00 0.00 179.25 180.16 1ubr h ARG 224 N 0.27 0.42 -0.68 0.00 2.43 -0.54 -0.82 114.38 115.47 1ubr h ARG 224 Ca -0.04 -0.03 0.06 0.00 -0.81 0.00 0.00 59.98 59.17 1ubr h ARG 224 Cb 1.36 -0.10 -0.04 0.00 -0.42 0.00 0.00 29.97 30.77 1ubr h ARG 224 CO 0.13 0.28 0.45 0.00 -1.51 0.00 0.00 179.97 179.32 1ubr h ALA 225 N 1.77 1.75 -0.28 2.80 0.00 -1.21 -0.01 119.26 124.08 1ubr h ALA 225 Ca 0.16 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.96 1ubr h ALA 225 Cb 0.10 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1ubr h ALA 225 CO -0.04 0.14 -0.20 0.52 0.00 0.00 0.00 179.25 179.68 1ubr h MET 226 N 0.68 0.51 0.00 0.00 2.86 -1.26 -3.03 114.93 114.69 1ubr h MET 226 Ca 0.29 -0.17 0.00 0.00 -2.06 0.00 0.00 59.70 57.76 1ubr h MET 226 Cb 0.27 -0.04 0.00 0.00 0.06 0.00 0.00 31.60 31.89 1ubr h MET 226 CO -0.09 0.68 0.00 0.00 1.06 0.00 0.00 176.91 178.56 1ubr h ALA 227 N 1.34 1.00 -0.30 6.32 0.00 -0.92 0.12 119.26 126.82 1ubr h ALA 227 Ca 0.07 0.00 0.04 0.00 0.00 0.00 0.00 54.91 55.03 1ubr h ALA 227 Cb 0.60 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.35 1ubr h ALA 227 CO 0.04 0.00 0.05 0.28 0.00 0.00 0.00 179.25 179.62 1ubr h VAL 228 N 0.00 0.84 0.00 0.00 2.07 -1.24 -2.09 116.25 115.83 1ubr h VAL 228 Ca 0.00 -0.05 -0.29 0.00 0.82 0.00 0.00 66.70 67.18 1ubr h VAL 228 Cb 0.81 0.67 -0.05 0.00 -1.52 0.00 0.00 31.29 31.21 1ubr h VAL 228 CO 0.00 0.03 -1.87 0.49 0.02 0.00 0.00 177.57 176.24 1ubr n PHE 229 N -5.10 0.68 -0.50 1.57 3.72 -1.23 -4.66 117.46 111.94 1ubr n PHE 229 Ca 0.00 0.24 0.08 0.00 -0.05 0.00 0.00 57.45 57.72 1ubr n PHE 229 Cb 0.14 -1.10 0.27 0.00 -0.94 0.00 0.00 39.48 37.85 1ubr n PHE 229 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1ubr n GLY 230 N 1.58 2.93 3.70 1.37 0.00 0.43 -4.78 105.19 110.41 1ubr n GLY 230 Ca -0.20 -0.72 0.00 0.00 0.00 0.00 0.00 46.02 45.10 1ubr n GLY 230 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ubr n ALA 231 N 0.74 0.00 -3.54 4.61 0.00 -0.80 -0.82 120.51 120.71 1ubr n ALA 231 Ca 0.20 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.56 1ubr n ALA 231 Cb 0.70 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.12 1ubr n ALA 231 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 1ubr s LYS 232 N 0.00 0.68 -0.02 0.00 -2.85 -1.26 -4.86 119.74 111.43 1ubr s LYS 232 Ca 0.00 -0.14 0.00 0.00 -1.00 0.00 0.00 55.97 54.83 1ubr s LYS 232 Cb 0.00 0.32 0.02 0.00 -2.06 0.00 0.00 37.83 36.11 1ubr s LYS 232 CO 0.00 -0.27 0.01 1.21 0.10 0.00 0.00 175.35 176.39 1ubr s ASN 233 N -2.02 0.24 0.72 0.03 3.04 -1.26 -3.47 114.94 112.22 1ubr s ASN 233 Ca 0.04 -0.00 -0.11 0.00 0.04 0.00 0.00 52.86 52.82 1ubr s ASN 233 Cb -0.01 -0.13 0.02 0.00 -1.54 0.00 0.00 41.25 39.59 1ubr s ASN 233 CO -0.05 -0.09 1.07 -2.84 -3.04 0.00 0.00 177.10 172.14 1ubr s PRO 234 N 0.88 2.74 -0.17 0.43 0.02 -1.26 -5.00 135.00 132.63 1ubr s PRO 234 Ca -0.08 0.84 -0.04 0.00 0.02 0.00 0.00 61.00 61.74 1ubr s PRO 234 Cb -0.11 -1.98 0.00 0.00 0.02 0.00 0.00 34.50 32.43 1ubr s PRO 234 CO -0.02 -1.21 0.14 0.72 -0.33 0.00 0.00 177.00 176.30 1ubr n HIS 235 N -3.19 -1.77 -0.93 6.54 8.25 -1.26 -5.02 115.22 117.84 1ubr n HIS 235 Ca 0.07 0.75 -0.29 0.00 -0.26 0.00 0.00 57.72 57.99 1ubr n HIS 235 Cb 0.54 -2.71 0.19 0.00 1.12 0.00 0.00 29.99 29.13 1ubr n HIS 235 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 1ubr s THR 236 N -1.27 2.26 -0.45 1.59 -4.23 -1.23 -4.69 115.64 107.63 1ubr s THR 236 Ca 0.06 0.09 0.07 0.00 -1.18 0.00 0.00 61.69 60.72 1ubr s THR 236 Cb -0.02 -2.38 0.25 0.00 1.34 0.00 0.00 72.50 71.70 1ubr s THR 236 CO 0.37 -0.11 0.77 1.67 -0.54 0.00 0.00 174.62 176.78 1ubr n GLN 237 N -4.32 0.78 0.00 3.99 7.27 0.00 -4.90 117.38 120.20 1ubr n GLN 237 Ca 0.06 -2.32 0.00 0.00 0.07 0.00 0.00 57.00 54.80 1ubr n GLN 237 Cb 0.55 -1.36 0.00 0.00 2.41 0.00 0.00 30.24 31.84 1ubr n GLN 237 CO 0.00 0.00 0.00 1.97 0.07 0.00 0.00 177.06 179.10 1ubr n PHE 238 N 1.42 0.00 -3.75 3.69 1.16 -1.26 -4.66 117.46 114.06 1ubr n PHE 238 Ca 0.14 0.00 -0.34 0.00 -1.87 0.00 0.00 57.45 55.37 1ubr n PHE 238 Cb 0.60 0.00 -0.05 0.00 -1.61 0.00 0.00 39.48 38.43 1ubr n PHE 238 CO 0.00 0.00 0.00 0.95 -1.87 0.00 0.00 176.76 175.84 1ubr s THR 239 N 0.00 5.28 0.06 1.97 -4.23 -1.26 -1.23 115.64 116.23 1ubr s THR 239 Ca 0.00 0.16 -0.03 0.00 -1.18 0.00 0.00 61.69 60.63 1ubr s THR 239 Cb 0.00 -3.58 -0.03 0.00 1.34 0.00 0.00 72.50 70.23 1ubr s THR 239 CO 0.00 0.33 0.03 0.68 -0.54 0.00 0.00 174.62 175.13 1ubr s VAL 240 N -1.33 0.19 0.22 2.29 -7.23 -0.95 -4.90 120.40 108.69 1ubr s VAL 240 Ca 0.29 -1.60 -0.32 0.00 -1.81 0.00 0.00 61.98 58.54 1ubr s VAL 240 Cb -0.13 -1.43 -0.13 0.00 0.56 0.00 0.00 36.38 35.25 1ubr s VAL 240 CO 0.17 -0.88 1.56 0.52 -0.31 0.00 0.00 175.10 176.15 1ubr n VAL 241 N 0.10 0.50 0.00 1.32 0.31 -1.26 -1.74 118.33 117.56 1ubr n VAL 241 Ca -0.15 -0.12 0.00 0.00 -0.01 0.00 0.00 64.34 64.06 1ubr n VAL 241 Cb 0.61 -1.69 0.00 0.00 -0.91 0.00 0.00 33.84 31.85 1ubr n VAL 241 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1ubr n GLY 242 N 2.87 1.69 0.00 2.92 0.00 -1.26 -4.86 105.19 106.55 1ubr n GLY 242 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 1ubr n GLY 242 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ubr n GLY 243 N -2.00 -0.53 3.27 -0.02 0.00 -0.71 -1.09 105.19 104.11 1ubr n GLY 243 Ca 0.00 -0.21 -0.15 0.00 0.00 0.00 0.00 46.02 45.66 1ubr n GLY 243 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1ubr s VAL 244 N -1.47 0.48 -0.53 1.61 -7.23 -0.69 -2.24 120.40 110.33 1ubr s VAL 244 Ca 0.00 -1.99 0.12 0.00 -1.81 0.00 0.00 61.98 58.30 1ubr s VAL 244 Cb 0.00 -2.46 -0.14 0.00 0.56 0.00 0.00 36.38 34.34 1ubr s VAL 244 CO 0.00 -0.14 0.51 0.35 -0.31 0.00 0.00 175.10 175.51 1ubr n THR 245 N -0.36 0.00 -2.69 5.32 -2.24 -0.37 -4.29 114.28 109.64 1ubr n THR 245 Ca -0.02 -0.21 -0.43 0.00 -2.27 0.00 0.00 64.05 61.12 1ubr n THR 245 Cb 0.65 0.92 0.00 0.00 -2.10 0.00 0.00 70.33 69.81 1ubr n THR 245 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ubr h TYR 247 N 6.88 0.00 0.00 0.00 -1.99 -1.96 0.52 116.97 120.42 1ubr h TYR 247 Ca 0.37 0.00 0.00 0.00 2.00 0.00 0.00 58.73 61.10 1ubr h TYR 247 Cb 0.81 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.54 1ubr h TYR 247 CO 1.21 0.00 0.00 0.22 -0.00 0.00 0.00 178.16 179.59 1ubr h ASP 248 N 0.00 0.00 0.65 3.88 -0.00 -1.98 -2.07 116.42 116.90 1ubr h ASP 248 Ca 0.07 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.10 1ubr h ASP 248 Cb 0.32 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.65 1ubr h ASP 248 CO -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 179.24 179.24 1ubr n ALA 249 N -2.00 1.69 0.59 -0.78 0.00 0.17 -1.62 120.51 118.57 1ubr n ALA 249 Ca -0.01 0.02 0.13 0.00 0.00 0.00 0.00 53.44 53.58 1ubr n ALA 249 Cb 0.14 -1.33 0.38 0.00 0.00 0.00 0.00 19.45 18.65 1ubr n ALA 249 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1ubr h LEU 250 N 0.00 0.00-10.05 0.00 4.07 -1.52 -3.41 115.31 104.39 1ubr h LEU 250 Ca 0.00 -0.00 -0.45 0.00 0.08 0.00 0.00 57.88 57.51 1ubr h LEU 250 Cb 0.33 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.06 1ubr h LEU 250 CO 0.00 0.00 0.35 0.42 -1.08 0.00 0.00 178.44 178.14 1ubr s THR 251 N -3.11 4.21 0.44 0.22 -4.23 -0.64 -4.92 115.64 107.60 1ubr s THR 251 Ca 0.10 1.40 0.11 0.00 -1.18 0.00 0.00 61.69 62.12 1ubr s THR 251 Cb 0.12 -3.58 0.28 0.00 1.34 0.00 0.00 72.50 70.66 1ubr s THR 251 CO 0.60 -0.27 2.06 -0.65 -0.54 0.00 0.00 174.62 175.83 1ubr h PRO 252 N 1.89 0.40 -0.02 3.99 0.11 -1.91 -2.27 132.00 134.19 1ubr h PRO 252 Ca -0.49 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 65.59 1ubr h PRO 252 Cb 1.19 -0.09 -0.00 0.00 0.11 0.00 0.00 31.00 32.21 1ubr h PRO 252 CO 0.61 0.26 0.01 1.96 -0.21 0.00 0.00 178.00 180.63 1ubr h GLN 253 N 0.41 0.04 -0.65 1.05 7.50 -1.92 0.56 115.11 122.10 1ubr h GLN 253 Ca 0.15 -0.01 -0.07 0.00 0.50 0.00 0.00 58.65 59.22 1ubr h GLN 253 Cb 0.09 -0.01 -0.03 0.00 0.05 0.00 0.00 27.48 27.59 1ubr h GLN 253 CO -0.03 0.24 0.14 0.00 -1.50 0.00 0.00 178.83 177.67 1ubr h ARG 254 N -0.17 1.04 -0.77 1.46 2.47 -1.76 -0.72 114.38 115.93 1ubr h ARG 254 Ca 0.01 -0.25 -0.05 0.00 -1.26 0.00 0.00 59.98 58.43 1ubr h ARG 254 Cb 0.22 -0.14 -0.03 0.00 -1.65 0.00 0.00 29.97 28.37 1ubr h ARG 254 CO -0.00 0.93 0.30 0.82 0.56 0.00 0.00 179.97 182.58 1ubr h ILE 255 N 0.98 1.26 -0.53 2.04 2.04 -1.26 -0.59 117.51 121.45 1ubr h ILE 255 Ca 0.20 -0.82 -0.07 0.00 1.00 0.00 0.00 64.86 65.17 1ubr h ILE 255 Cb 0.38 0.35 -0.02 0.00 -0.74 0.00 0.00 36.82 36.79 1ubr h ILE 255 CO 0.00 0.33 0.05 0.00 0.00 0.00 0.00 178.15 178.54 1ubr h ALA 256 N 1.16 1.09 -0.24 1.87 0.00 -0.59 0.14 119.26 122.69 1ubr h ALA 256 Ca 0.26 -0.25 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 1ubr h ALA 256 Cb 0.23 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1ubr h ALA 256 CO -0.02 0.59 -0.06 1.49 0.00 0.00 0.00 179.25 181.25 1ubr h GLU 257 N 0.82 0.46 -0.16 0.00 4.81 -0.50 -1.08 114.58 118.92 1ubr h GLU 257 Ca 0.16 -0.18 0.04 0.00 -0.13 0.00 0.00 59.36 59.26 1ubr h GLU 257 Cb 0.41 -0.03 -0.04 0.00 0.63 0.00 0.00 28.75 29.73 1ubr h GLU 257 CO 0.01 0.69 -0.10 0.35 -0.73 0.00 0.00 179.01 179.23 1ubr h PHE 258 N 0.20 -0.24 -0.85 0.92 3.04 -0.99 -2.48 116.94 116.54 1ubr h PHE 258 Ca 0.06 0.02 0.02 0.00 3.98 0.00 0.00 57.97 62.05 1ubr h PHE 258 Cb 0.52 0.13 -0.05 0.00 2.56 0.00 0.00 35.95 39.11 1ubr h PHE 258 CO 0.05 -0.15 0.56 1.49 -2.02 0.00 0.00 178.31 178.24 1ubr h GLU 259 N -0.09 1.07 -0.68 1.11 4.81 -0.73 0.13 114.58 120.20 1ubr h GLU 259 Ca 0.10 -0.06 -0.06 0.00 -0.13 0.00 0.00 59.36 59.20 1ubr h GLU 259 Cb 0.23 -0.24 -0.03 0.00 0.63 0.00 0.00 28.75 29.34 1ubr h GLU 259 CO -0.22 0.71 0.20 0.00 -0.73 0.00 0.00 179.01 178.97 1ubr h ALA 260 N 1.34 0.89 -0.41 2.92 0.00 -1.07 0.16 119.26 123.08 1ubr h ALA 260 Ca 0.33 -0.22 -0.12 0.00 0.00 0.00 0.00 54.91 54.89 1ubr h ALA 260 Cb -0.05 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.46 1ubr h ALA 260 CO -0.09 0.58 -0.22 -0.07 0.00 0.00 0.00 179.25 179.44 1ubr h LEU 261 N 1.00 0.91 -0.22 0.00 3.38 -0.95 -2.32 115.31 117.11 1ubr h LEU 261 Ca 0.22 -0.41 0.01 0.00 0.09 0.00 0.00 57.88 57.79 1ubr h LEU 261 Cb 0.32 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 1ubr h LEU 261 CO -0.00 1.12 0.12 -0.25 0.09 0.00 0.00 178.44 179.52 1ubr h TRP 262 N 0.69 0.23 -0.79 1.13 7.01 -0.57 -0.33 115.95 123.32 1ubr h TRP 262 Ca 0.09 0.01 0.03 0.00 2.11 0.00 0.00 58.89 61.12 1ubr h TRP 262 Cb 0.79 -0.07 -0.05 0.00 -2.10 0.00 0.00 29.16 27.74 1ubr h TRP 262 CO 0.06 0.13 0.51 0.87 -2.79 0.00 0.00 178.44 177.22 1ubr h LYS 263 N 0.25 0.98 -0.38 2.65 1.57 -0.59 0.23 116.57 121.28 1ubr h LYS 263 Ca 0.09 -0.06 -0.10 0.00 -1.87 0.00 0.00 60.65 58.71 1ubr h LYS 263 Cb 0.01 -0.22 -0.02 0.00 0.08 0.00 0.00 32.23 32.08 1ubr h LYS 263 CO -0.05 0.65 -0.18 1.49 -0.57 0.00 0.00 179.45 180.78 1ubr h GLU 264 N 1.01 0.72 -0.31 3.15 4.81 -1.24 -1.24 114.58 121.48 1ubr h GLU 264 Ca 0.31 -0.27 -0.06 0.00 -0.13 0.00 0.00 59.36 59.21 1ubr h GLU 264 Cb -0.02 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.30 1ubr h GLU 264 CO -0.10 0.86 -0.05 1.15 -0.73 0.00 0.00 179.01 180.14 1ubr h THR 265 N 0.64 1.27 -0.65 0.32 2.02 -0.14 -2.22 112.91 114.15 1ubr h THR 265 Ca 0.10 -1.06 -0.03 0.00 0.77 0.00 0.00 66.41 66.18 1ubr h THR 265 Cb 0.66 1.33 -0.03 0.00 -1.74 0.00 0.00 68.15 68.37 1ubr h THR 265 CO 0.05 0.34 0.28 0.50 0.37 0.00 0.00 175.52 177.06 1ubr h LYS 266 N 0.37 0.95 -0.82 6.66 3.64 -0.43 -0.87 116.57 126.06 1ubr h LYS 266 Ca 0.08 -0.14 -0.03 0.00 -1.27 0.00 0.00 60.65 59.29 1ubr h LYS 266 Cb 0.52 -0.17 -0.04 0.00 -0.41 0.00 0.00 32.23 32.14 1ubr h LYS 266 CO 0.03 0.76 0.39 0.00 -2.27 0.00 0.00 179.45 178.35 1ubr h ALA 267 N 1.37 1.06 -0.48 5.00 0.00 -1.03 0.89 119.26 126.06 1ubr h ALA 267 Ca 0.22 -0.16 -0.06 0.00 0.00 0.00 0.00 54.91 54.91 1ubr h ALA 267 Cb 0.15 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 1ubr h ALA 267 CO -0.02 0.63 0.06 0.35 0.00 0.00 0.00 179.25 180.26 1ubr h PHE 268 N 1.17 0.87 -0.16 0.00 3.04 -0.71 0.19 116.94 121.35 1ubr h PHE 268 Ca 0.28 -0.13 0.03 0.00 3.98 0.00 0.00 57.97 62.13 1ubr h PHE 268 Cb 0.13 -0.24 -0.03 0.00 2.56 0.00 0.00 35.95 38.38 1ubr h PHE 268 CO 0.01 0.81 -0.01 0.28 -2.02 0.00 0.00 178.31 177.39 1ubr h VAL 269 N 0.68 0.88 -0.08 1.41 2.07 -0.73 0.11 116.25 120.59 1ubr h VAL 269 Ca 0.14 -0.01 -0.18 0.00 0.82 0.00 0.00 66.70 67.47 1ubr h VAL 269 Cb 0.43 0.84 -0.01 0.00 -1.52 0.00 0.00 31.29 31.03 1ubr h VAL 269 CO 0.01 0.01 -0.71 0.44 0.02 0.00 0.00 177.57 177.34 1ubr h ASP 270 N 0.04 0.47 0.00 0.57 3.45 -0.52 -0.32 116.42 120.10 1ubr h ASP 270 Ca 0.07 -0.30 0.00 0.00 0.43 0.00 0.00 57.03 57.23 1ubr h ASP 270 Cb 0.10 -0.14 0.00 0.00 -0.56 0.00 0.00 39.33 38.73 1ubr h ASP 270 CO -0.14 1.03 -1.63 -0.62 -1.57 0.00 0.00 179.24 176.32 1ubr n GLU 271 N -3.84 0.66 0.05 3.56 1.02 0.65 -4.48 120.64 118.26 1ubr n GLU 271 Ca -0.04 -0.13 0.00 0.00 -0.02 0.00 0.00 57.16 56.97 1ubr n GLU 271 Cb 0.70 -1.43 0.00 0.00 -0.02 0.00 0.00 31.44 30.68 1ubr n GLU 271 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1ubr n VAL 272 N -1.99 0.91 0.28 2.62 0.31 0.26 -4.71 118.33 116.01 1ubr n VAL 272 Ca -0.02 0.30 -0.16 0.00 -0.01 0.00 0.00 64.34 64.46 1ubr n VAL 272 Cb 0.45 -1.37 -0.08 0.00 -0.91 0.00 0.00 33.84 31.93 1ubr n VAL 272 CO 0.00 0.00 0.00 0.22 -1.32 0.00 0.00 176.83 175.73 1ubr h TYR 273 N 0.00 -0.64 -0.47 3.52 3.20 -1.12 -2.08 116.97 119.38 1ubr h TYR 273 Ca 0.00 -0.02 -0.05 0.00 3.14 0.00 0.00 58.73 61.81 1ubr h TYR 273 Cb 0.00 0.21 -0.02 0.00 1.54 0.00 0.00 36.73 38.46 1ubr h TYR 273 CO 0.00 -0.34 0.11 0.82 -1.64 0.00 0.00 178.16 177.11 1ubr h ILE 274 N -0.85 1.24 -0.75 1.81 1.08 -1.30 0.11 117.51 118.85 1ubr h ILE 274 Ca -0.07 -0.83 0.04 0.00 -0.39 0.00 0.00 64.86 63.61 1ubr h ILE 274 Cb 0.59 0.89 -0.04 0.00 -3.07 0.00 0.00 36.82 35.19 1ubr h ILE 274 CO 0.12 0.29 0.49 -0.65 -0.69 0.00 0.00 178.15 177.71 1ubr h PRO 275 N 0.62 0.86 -0.49 2.37 0.11 -1.78 -1.03 132.00 132.67 1ubr h PRO 275 Ca 0.15 -0.05 -0.05 0.00 0.11 0.00 0.00 66.00 66.16 1ubr h PRO 275 Cb 0.32 -0.19 -0.02 0.00 0.11 0.00 0.00 31.00 31.22 1ubr h PRO 275 CO 0.00 0.57 0.12 -0.44 -0.21 0.00 0.00 178.00 178.04 1ubr h ASP 276 N 0.89 0.74 -0.68 -2.05 3.32 -0.89 -1.07 116.42 116.69 1ubr h ASP 276 Ca 0.30 -0.23 0.05 0.00 0.02 0.00 0.00 57.03 57.17 1ubr h ASP 276 Cb 0.09 -0.20 -0.05 0.00 0.22 0.00 0.00 39.33 39.39 1ubr h ASP 276 CO -0.09 0.79 0.40 0.25 -1.72 0.00 0.00 179.24 178.86 1ubr h LEU 277 N 0.67 0.62 -0.50 1.55 6.46 -0.41 0.55 115.31 124.24 1ubr h LEU 277 Ca 0.15 0.02 -0.15 0.00 -0.12 0.00 0.00 57.88 57.79 1ubr h LEU 277 Cb 0.33 -0.11 -0.01 0.00 -0.73 0.00 0.00 40.66 40.15 1ubr h LEU 277 CO 0.00 0.41 -0.35 -0.07 -0.62 0.00 0.00 178.44 177.81 1ubr h LEU 278 N 0.75 0.89 -0.42 2.25 4.07 -0.94 0.71 115.31 122.61 1ubr h LEU 278 Ca 0.29 -0.39 -0.16 0.00 0.08 0.00 0.00 57.88 57.70 1ubr h LEU 278 Cb 0.13 -0.25 -0.01 0.00 1.08 0.00 0.00 40.66 41.61 1ubr h LEU 278 CO -0.15 1.15 -0.40 1.62 -1.08 0.00 0.00 178.44 179.58 1ubr h VAL 279 N 0.70 1.27 -0.39 1.22 3.04 -0.79 -0.75 116.25 120.57 1ubr h VAL 279 Ca 0.07 -1.57 -0.09 0.00 -1.01 0.00 0.00 66.70 64.10 1ubr h VAL 279 Cb 0.92 1.41 -0.01 0.00 -2.01 0.00 0.00 31.29 31.59 1ubr h VAL 279 CO 0.08 0.52 -0.11 0.58 -1.01 0.00 0.00 177.57 177.63 1ubr h VAL 280 N 0.73 1.28 -0.43 1.51 2.07 -0.78 -2.58 116.25 118.05 1ubr h VAL 280 Ca 0.06 -1.21 -0.06 0.00 0.82 0.00 0.00 66.70 66.31 1ubr h VAL 280 Cb 0.98 1.26 -0.02 0.00 -1.52 0.00 0.00 31.29 31.99 1ubr h VAL 280 CO 0.09 0.40 0.04 0.00 0.02 0.00 0.00 177.57 178.13 1ubr h ALA 281 N 0.83 1.26 -0.54 1.67 0.00 -0.75 -1.71 119.26 120.01 1ubr h ALA 281 Ca 0.10 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.76 1ubr h ALA 281 Cb 0.64 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.22 1ubr h ALA 281 CO 0.04 0.50 0.20 0.00 0.00 0.00 0.00 179.25 180.00 1ubr h ALA 282 N 1.39 1.34 0.00 0.00 0.00 -1.02 -2.16 119.26 118.81 1ubr h ALA 282 Ca 0.14 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 1ubr h ALA 282 Cb 0.35 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 1ubr h ALA 282 CO 0.01 0.49 -0.14 0.00 0.00 0.00 0.00 179.25 179.61 1ubr h ALA 283 N 1.45 0.97 -0.67 0.00 0.00 -0.93 -3.26 119.26 116.82 1ubr h ALA 283 Ca 0.18 -0.13 -0.48 0.00 0.00 0.00 0.00 54.91 54.49 1ubr h ALA 283 Cb 0.18 -0.02 -0.34 0.00 0.00 0.00 0.00 17.79 17.60 1ubr h ALA 283 CO -0.02 0.17 -0.52 0.66 0.00 0.00 0.00 179.25 179.55 1ubr n TYR 284 N -3.21 2.38 0.26 0.00 4.02 -0.74 -4.82 117.16 115.05 1ubr n TYR 284 Ca 0.01 -2.19 0.09 0.00 -0.01 0.00 0.00 57.90 55.80 1ubr n TYR 284 Cb 0.45 -0.48 0.45 0.00 -0.02 0.00 0.00 39.34 39.74 1ubr n TYR 284 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 176.86 177.48 1ubr n LYS 285 N -0.81 0.13 0.29 -0.72 5.02 -0.94 -0.54 118.16 120.58 1ubr n LYS 285 Ca 0.43 0.51 0.17 0.00 -2.02 0.00 0.00 58.31 57.39 1ubr n LYS 285 Cb 0.91 -1.82 0.85 0.00 -0.02 0.00 0.00 35.03 34.94 1ubr n LYS 285 CO 0.00 0.00 0.00 0.38 -0.52 0.00 0.00 177.40 177.26 1ubr h ASP 286 N 0.00 0.00 0.00 4.39 -0.00 -1.88 -2.51 116.42 116.42 1ubr h ASP 286 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.03 1ubr h ASP 286 Cb 0.15 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.48 1ubr h ASP 286 CO 0.00 0.05 0.00 0.79 -0.00 0.00 0.00 179.24 180.08 1ubr n TRP 287 N -3.32 0.00 0.97 4.15 7.02 0.30 -1.60 117.44 124.96 1ubr n TRP 287 Ca -0.01 0.00 0.12 0.00 -1.02 0.00 0.00 57.50 56.58 1ubr n TRP 287 Cb 0.22 0.00 0.56 0.00 -2.42 0.00 0.00 31.31 29.66 1ubr n TRP 287 CO 0.00 0.00 0.00 0.25 -2.02 0.00 0.00 177.69 175.92 1ubr n THR 288 N -0.83 0.31 0.90 -0.99 -2.24 -0.94 -2.29 114.28 108.20 1ubr n THR 288 Ca 0.10 0.08 0.10 0.00 -2.27 0.00 0.00 64.05 62.05 1ubr n THR 288 Cb 0.05 -0.67 -0.05 0.00 -2.10 0.00 0.00 70.33 67.55 1ubr n THR 288 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ubr n GLN 289 N -1.40 1.04 -4.34 -0.78 1.13 -0.63 -4.68 117.38 107.72 1ubr n GLN 289 Ca 0.08 -0.49 -0.23 0.00 -1.94 0.00 0.00 57.00 54.42 1ubr n GLN 289 Cb 0.24 -1.41 -0.12 0.00 0.11 0.00 0.00 30.24 29.06 1ubr n GLN 289 CO 0.00 0.00 0.00 0.71 -1.44 0.00 0.00 177.06 176.33 1ubr s TYR 290 N -2.53 1.91 0.00 1.08 2.02 -1.24 -4.88 117.35 113.70 1ubr s TYR 290 Ca 0.12 -0.44 0.00 0.00 -0.37 0.00 0.00 57.07 56.38 1ubr s TYR 290 Cb 0.15 -0.97 0.00 0.00 -0.40 0.00 0.00 41.96 40.75 1ubr s TYR 290 CO 0.64 0.33 0.00 0.41 -1.57 0.00 0.00 175.55 175.37 1ubr n GLY 291 N 0.45 0.67 3.86 0.71 0.00 -1.19 0.12 105.19 109.81 1ubr n GLY 291 Ca -0.14 -0.48 -0.30 0.00 0.00 0.00 0.00 46.02 45.10 1ubr n GLY 291 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ubr s GLY 292 N -2.43 1.63 0.16 -0.02 0.00 -1.25 -3.74 107.32 101.67 1ubr s GLY 292 Ca 0.00 -0.24 -0.01 0.00 0.00 0.00 0.00 44.72 44.47 1ubr s GLY 292 CO 0.00 0.12 0.08 -0.51 0.00 0.00 0.00 173.10 172.79 1ubr s THR 293 N -3.26 0.08 -0.25 0.90 -4.23 -1.26 -4.19 115.64 103.43 1ubr s THR 293 Ca 0.58 -1.95 0.02 0.00 -1.18 0.00 0.00 61.69 59.16 1ubr s THR 293 Cb -0.12 -2.23 -0.17 0.00 1.34 0.00 0.00 72.50 71.33 1ubr s THR 293 CO 0.53 -0.28 -0.22 0.47 -0.54 0.00 0.00 174.62 174.58 1ubr n ASP 294 N -0.17 2.03 -4.26 3.99 8.00 -1.26 -4.86 116.55 120.02 1ubr n ASP 294 Ca -0.03 -0.13 -0.24 0.00 0.71 0.00 0.00 54.79 55.10 1ubr n ASP 294 Cb 0.65 -0.39 -0.13 0.00 -0.02 0.00 0.00 41.12 41.23 1ubr n ASP 294 CO 0.00 0.00 0.00 0.20 -0.39 0.00 0.00 177.20 177.01 1ubr s ASN 295 N -6.43 2.44 -0.02 -2.24 0.01 -1.26 -0.68 114.94 106.76 1ubr s ASN 295 Ca -0.34 -0.60 0.01 0.00 -0.71 0.00 0.00 52.86 51.22 1ubr s ASN 295 Cb 0.09 -0.16 0.01 0.00 0.41 0.00 0.00 41.25 41.59 1ubr s ASN 295 CO 0.58 0.10 -0.04 -0.36 -1.51 0.00 0.00 177.10 175.87 1ubr s PHE 296 N -0.99 0.48 0.01 2.20 0.40 0.06 -0.56 117.98 119.58 1ubr s PHE 296 Ca 0.06 -0.09 0.02 0.00 -0.60 0.00 0.00 56.93 56.32 1ubr s PHE 296 Cb -0.09 -0.37 -0.01 0.00 0.51 0.00 0.00 43.02 43.05 1ubr s PHE 296 CO 0.03 -0.06 -0.07 -1.50 0.70 0.00 0.00 175.22 174.32 1ubr s ILE 297 N 0.26 0.52 -0.03 0.64 2.07 -0.43 -0.63 121.20 123.60 1ubr s ILE 297 Ca -0.03 -0.54 -0.15 0.00 -1.41 0.00 0.00 60.65 58.52 1ubr s ILE 297 Cb -0.06 -0.49 0.03 0.00 0.13 0.00 0.00 42.46 42.07 1ubr s ILE 297 CO -0.00 -0.03 0.33 0.28 -1.91 0.00 0.00 174.94 173.61 1ubr s THR 298 N -0.55 0.05 -1.02 4.00 -1.32 -0.77 -4.37 115.64 111.66 1ubr s THR 298 Ca -0.01 -0.40 0.15 0.00 -1.21 0.00 0.00 61.69 60.22 1ubr s THR 298 Cb -0.05 -0.62 -0.10 0.00 -1.51 0.00 0.00 72.50 70.22 1ubr s THR 298 CO 0.00 -0.22 0.72 0.49 -2.21 0.00 0.00 174.62 173.41 1ubr n PHE 299 N 1.44 0.00 0.00 9.09 0.99 -1.26 -1.43 117.46 126.28 1ubr n PHE 299 Ca -0.21 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.24 1ubr n PHE 299 Cb 0.56 0.00 0.00 0.00 -1.00 0.00 0.00 39.48 39.04 1ubr n PHE 299 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1ubr n GLY 300 N 1.26 -1.76 3.40 1.37 0.00 -1.26 -3.94 105.19 104.27 1ubr n GLY 300 Ca 0.04 -1.49 -0.13 0.00 0.00 0.00 0.00 46.02 44.44 1ubr n GLY 300 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1ubr s GLU 301 N -3.30 1.09 -0.06 1.61 2.56 -0.30 -3.48 118.70 116.83 1ubr s GLU 301 Ca 0.00 -0.29 -0.00 0.00 0.00 0.00 0.00 54.97 54.68 1ubr s GLU 301 Cb 0.00 0.50 -0.00 0.00 2.00 0.00 0.00 34.13 36.63 1ubr s GLU 301 CO 0.00 -0.41 0.05 1.19 -0.56 0.00 0.00 175.26 175.53 1ubr n PHE 302 N 0.22 -0.22 -2.24 5.30 3.01 -1.26 -1.81 117.46 120.46 1ubr n PHE 302 Ca -0.18 0.08 -0.33 0.00 1.01 0.00 0.00 57.45 58.03 1ubr n PHE 302 Cb 0.61 -1.73 -0.01 0.00 -0.01 0.00 0.00 39.48 38.35 1ubr n PHE 302 CO 0.00 0.00 0.00 -1.25 1.01 0.00 0.00 176.76 176.52 1ubr s PRO 303 N -3.00 3.50 -0.10 -1.08 0.04 -1.26 -2.09 135.00 131.00 1ubr s PRO 303 Ca 0.00 1.27 0.13 0.00 0.04 0.00 0.00 61.00 62.44 1ubr s PRO 303 Cb -0.00 -2.06 -0.24 0.00 0.04 0.00 0.00 34.50 32.25 1ubr s PRO 303 CO 0.06 -0.67 0.45 1.63 0.04 0.00 0.00 177.00 178.51 1ubr n LYS 304 N -1.61 0.66 -3.96 4.56 4.76 -1.11 -4.88 118.16 116.58 1ubr n LYS 304 Ca 0.09 0.20 -0.29 0.00 -2.87 0.00 0.00 58.31 55.44 1ubr n LYS 304 Cb 0.53 -1.70 -0.16 0.00 -1.84 0.00 0.00 35.03 31.85 1ubr n LYS 304 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 1ubr s ASP 305 N -5.98 2.69 0.31 4.39 3.68 -1.26 -5.02 116.67 115.48 1ubr s ASP 305 Ca -0.08 -0.54 0.22 0.00 2.13 0.00 0.00 52.55 54.28 1ubr s ASP 305 Cb 0.07 -1.04 1.12 0.00 -1.45 0.00 0.00 42.92 41.63 1ubr s ASP 305 CO 0.82 -0.12 1.68 -0.62 0.13 0.00 0.00 175.17 177.07 1ubr n GLU 306 N 4.83 0.16 -0.16 4.34 -0.58 -1.26 -1.99 120.64 125.98 1ubr n GLU 306 Ca -0.14 0.57 0.06 0.00 -0.42 0.00 0.00 57.16 57.23 1ubr n GLU 306 Cb 0.49 -1.94 0.15 0.00 -0.57 0.00 0.00 31.44 29.57 1ubr n GLU 306 CO 0.00 0.00 0.00 0.66 -0.48 0.00 0.00 177.13 177.31 1ubr n TYR 307 N -2.26 0.42 -3.69 -0.32 4.02 -1.26 -4.86 117.16 109.20 1ubr n TYR 307 Ca -0.00 -0.41 -0.29 0.00 -0.01 0.00 0.00 57.90 57.19 1ubr n TYR 307 Cb 0.10 -0.02 -0.16 0.00 -0.02 0.00 0.00 39.34 39.24 1ubr n TYR 307 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 176.86 176.19 1ubr s ASP 308 N -1.00 3.45 0.57 7.72 3.68 -0.84 -4.98 116.67 125.26 1ubr s ASP 308 Ca 0.23 -1.22 0.26 0.00 2.13 0.00 0.00 52.55 53.96 1ubr s ASP 308 Cb 0.13 -0.64 1.67 0.00 -1.45 0.00 0.00 42.92 42.62 1ubr s ASP 308 CO 0.17 -0.37 2.23 -0.07 0.13 0.00 0.00 175.17 177.25 1ubr h LEU 309 N 8.22 0.00 -0.06 -1.34 3.38 -1.89 -1.30 115.31 122.32 1ubr h LEU 309 Ca -0.16 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.81 1ubr h LEU 309 Cb 1.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.81 1ubr h LEU 309 CO 0.41 0.00 -0.00 0.59 0.09 0.00 0.00 178.44 179.53 1ubr n ASN 310 N -4.04 0.09 -0.43 -0.43 5.03 -1.26 -1.98 115.26 112.24 1ubr n ASN 310 Ca -0.03 -0.91 0.14 0.00 0.87 0.00 0.00 54.58 54.65 1ubr n ASN 310 Cb 0.08 -0.04 0.57 0.00 -1.02 0.00 0.00 39.78 39.37 1ubr n ASN 310 CO 0.00 0.00 0.00 -1.54 -1.83 0.00 0.00 177.26 173.89 1ubr n SER 311 N -0.97 1.35 -4.84 6.41 3.41 -0.49 -4.93 113.62 113.55 1ubr n SER 311 Ca 0.22 -1.45 -0.32 0.00 -0.26 0.00 0.00 58.87 57.06 1ubr n SER 311 Cb 0.14 -0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.04 1ubr n SER 311 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1ubr s ARG 312 N -2.00 4.04 0.23 4.33 0.52 -0.84 -2.76 118.95 122.48 1ubr s ARG 312 Ca 0.39 0.90 -0.06 0.00 -0.52 0.00 0.00 55.73 56.43 1ubr s ARG 312 Cb 0.21 -2.24 0.23 0.00 0.52 0.00 0.00 34.95 33.66 1ubr s ARG 312 CO 0.34 -0.07 1.81 0.35 0.02 0.00 0.00 175.30 177.75 1ubr h PHE 313 N 1.59 1.15 -3.08 -0.53 3.57 -0.79 -3.35 116.94 115.50 1ubr h PHE 313 Ca -0.48 -0.07 -0.64 0.00 3.53 0.00 0.00 57.97 60.31 1ubr h PHE 313 Cb 1.18 -0.35 -0.12 0.00 2.79 0.00 0.00 35.95 39.45 1ubr h PHE 313 CO 0.62 0.86 -0.52 -0.06 -2.23 0.00 0.00 178.31 176.98 1ubr s PHE 314 N -5.55 3.39 0.14 0.41 0.08 -0.98 -4.98 117.98 110.49 1ubr s PHE 314 Ca -0.12 0.30 -0.02 0.00 0.12 0.00 0.00 56.93 57.21 1ubr s PHE 314 Cb 0.16 -2.02 -0.05 0.00 -0.57 0.00 0.00 43.02 40.54 1ubr s PHE 314 CO 0.83 0.41 0.34 0.15 -0.10 0.00 0.00 175.22 176.85 1ubr s LYS 315 N -0.23 3.54 0.91 0.44 3.01 -1.26 -1.15 119.74 125.01 1ubr s LYS 315 Ca 0.09 -0.26 -0.12 0.00 -1.01 0.00 0.00 55.97 54.67 1ubr s LYS 315 Cb -0.12 -2.89 0.14 0.00 -1.01 0.00 0.00 37.83 33.95 1ubr s LYS 315 CO 0.01 0.48 1.09 -1.25 0.51 0.00 0.00 175.35 176.19 1ubr s PRO 316 N -2.84 1.15 0.00 -1.68 0.04 -1.25 -3.99 135.00 126.42 1ubr s PRO 316 Ca 0.39 0.79 0.00 0.00 0.04 0.00 0.00 61.00 62.22 1ubr s PRO 316 Cb -0.12 -1.80 0.00 0.00 0.04 0.00 0.00 34.50 32.62 1ubr s PRO 316 CO 0.27 -2.31 0.00 0.41 0.04 0.00 0.00 177.00 175.41 1ubr n GLY 317 N -1.10 0.60 2.95 0.56 0.00 -0.52 -4.81 105.19 102.87 1ubr n GLY 317 Ca 0.07 -0.84 -0.19 0.00 0.00 0.00 0.00 46.02 45.06 1ubr n GLY 317 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ubr s VAL 318 N -2.00 0.58 -0.04 1.61 1.01 -0.53 -1.84 120.40 119.18 1ubr s VAL 318 Ca 0.00 -0.23 0.02 0.00 0.00 0.00 0.00 61.98 61.77 1ubr s VAL 318 Cb 0.00 -0.54 0.01 0.00 0.00 0.00 0.00 36.38 35.85 1ubr s VAL 318 CO 0.00 0.20 -0.08 -0.69 0.00 0.00 0.00 175.10 174.52 1ubr s VAL 319 N 0.34 0.79 -0.09 2.92 1.01 0.20 -0.80 120.40 124.78 1ubr s VAL 319 Ca -0.04 -0.31 -0.02 0.00 0.00 0.00 0.00 61.98 61.61 1ubr s VAL 319 Cb -0.09 -0.74 -0.03 0.00 0.00 0.00 0.00 36.38 35.52 1ubr s VAL 319 CO 0.00 0.27 -0.02 -0.36 0.00 0.00 0.00 175.10 174.99 1ubr s PHE 320 N 0.56 3.08 -1.55 5.22 0.08 -1.26 -0.76 117.98 123.36 1ubr s PHE 320 Ca -0.09 0.07 -0.13 0.00 0.12 0.00 0.00 56.93 56.90 1ubr s PHE 320 Cb -0.13 -1.80 0.09 0.00 -0.57 0.00 0.00 43.02 40.61 1ubr s PHE 320 CO 0.01 0.35 0.89 1.63 -0.10 0.00 0.00 175.22 178.00 1ubr n LYS 321 N 2.42 -4.85 -1.94 0.44 4.76 -0.51 -1.32 118.16 117.15 1ubr n LYS 321 Ca -0.18 0.54 -0.18 0.00 -2.87 0.00 0.00 58.31 55.62 1ubr n LYS 321 Cb 0.53 -5.33 -0.04 0.00 -1.84 0.00 0.00 35.03 28.35 1ubr n LYS 321 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1ubr n ARG 322 N -4.58 -1.62 -2.73 1.97 1.74 0.14 -4.89 116.66 106.70 1ubr n ARG 322 Ca 0.00 0.97 -0.43 0.00 -0.77 0.00 0.00 57.85 57.62 1ubr n ARG 322 Cb 0.54 -5.46 0.00 0.00 -1.02 0.00 0.00 32.46 26.52 1ubr n ARG 322 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1ubr n ASP 323 N -1.47 5.06 -0.02 0.55 4.64 -0.43 -4.76 116.55 120.12 1ubr n ASP 323 Ca -0.20 -2.96 0.15 0.00 -1.38 0.00 0.00 54.79 50.40 1ubr n ASP 323 Cb 0.63 -1.63 0.76 0.00 -1.04 0.00 0.00 41.12 39.84 1ubr n ASP 323 CO 0.00 0.00 0.00 0.49 -0.82 0.00 0.00 177.20 176.87 1ubr n PHE 324 N 6.43 0.00 0.67 -0.67 3.72 -1.26 -2.03 117.46 124.32 1ubr n PHE 324 Ca 0.42 0.00 0.13 0.00 -0.05 0.00 0.00 57.45 57.95 1ubr n PHE 324 Cb 0.43 -0.24 0.45 0.00 -0.94 0.00 0.00 39.48 39.19 1ubr n PHE 324 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 1ubr n LYS 325 N -1.20 0.20 -3.22 -1.08 4.01 -1.26 -4.15 118.16 111.46 1ubr n LYS 325 Ca 0.15 0.20 -0.25 0.00 -0.51 0.00 0.00 58.31 57.90 1ubr n LYS 325 Cb 0.23 -1.75 -0.06 0.00 -0.51 0.00 0.00 35.03 32.95 1ubr n LYS 325 CO 0.00 0.00 0.00 0.09 -1.11 0.00 0.00 177.40 176.38 1ubr n ASN 326 N -2.09 2.73 -4.73 4.39 3.02 -0.86 -5.07 115.26 112.65 1ubr n ASN 326 Ca 0.05 -3.28 -0.42 0.00 -0.03 0.00 0.00 54.58 50.91 1ubr n ASN 326 Cb 0.38 -0.63 -0.03 0.00 -0.61 0.00 0.00 39.78 38.89 1ubr n ASN 326 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1ubr s ILE 327 N -2.69 3.43 0.02 2.41 1.01 -1.26 -4.80 121.20 119.33 1ubr s ILE 327 Ca 0.41 1.12 -0.03 0.00 0.00 0.00 0.00 60.65 62.16 1ubr s ILE 327 Cb 0.22 -3.72 -0.04 0.00 0.01 0.00 0.00 42.46 38.92 1ubr s ILE 327 CO -0.07 0.14 0.22 -0.54 0.00 0.00 0.00 174.94 174.69 1ubr s LYS 328 N 0.27 3.48 0.66 2.79 -0.14 0.02 -4.93 119.74 121.89 1ubr s LYS 328 Ca 0.58 -0.29 -0.17 0.00 -1.36 0.00 0.00 55.97 54.73 1ubr s LYS 328 Cb -0.35 -3.06 -0.00 0.00 -1.68 0.00 0.00 37.83 32.74 1ubr s LYS 328 CO 0.35 0.64 1.21 -1.25 -0.76 0.00 0.00 175.35 175.53 1ubr s PRO 329 N -2.11 2.61 -0.30 -1.68 0.04 -1.26 -1.45 135.00 130.84 1ubr s PRO 329 Ca 0.30 1.78 -0.26 0.00 0.04 0.00 0.00 61.00 62.86 1ubr s PRO 329 Cb -0.13 -1.89 0.01 0.00 0.04 0.00 0.00 34.50 32.53 1ubr s PRO 329 CO 0.21 -1.48 0.91 0.12 0.04 0.00 0.00 177.00 176.80 1ubr s PHE 330 N -1.80 3.21 -0.36 0.56 5.36 -1.26 -4.63 117.98 119.06 1ubr s PHE 330 Ca 0.76 1.04 -0.09 0.00 -0.96 0.00 0.00 56.93 57.67 1ubr s PHE 330 Cb -0.30 -3.36 0.03 0.00 -0.34 0.00 0.00 43.02 39.06 1ubr s PHE 330 CO 0.39 -0.60 0.17 0.34 -1.46 0.00 0.00 175.22 174.06 1ubr s ASP 331 N 1.56 5.59 0.34 6.13 3.68 -1.26 -4.97 116.67 127.73 1ubr s ASP 331 Ca 0.38 -1.07 0.26 0.00 2.13 0.00 0.00 52.55 54.25 1ubr s ASP 331 Cb -0.14 -1.97 1.14 0.00 -1.45 0.00 0.00 42.92 40.50 1ubr s ASP 331 CO 0.12 -0.37 1.78 0.07 0.13 0.00 0.00 175.17 176.90 1ubr h LYS 332 N 8.36 0.00 -0.00 4.34 2.10 -2.00 -1.09 116.57 128.27 1ubr h LYS 332 Ca -0.24 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.41 1ubr h LYS 332 Cb 1.09 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.42 1ubr h LYS 332 CO 0.65 0.00 -0.02 -1.33 -2.00 0.00 0.00 179.45 176.75 1ubr n MET 333 N -2.44 0.42 -0.37 0.07 2.81 -1.26 -3.64 117.12 112.70 1ubr n MET 333 Ca 0.01 -0.03 0.10 0.00 -1.81 0.00 0.00 57.70 55.97 1ubr n MET 333 Cb 0.21 -1.50 0.29 0.00 -0.71 0.00 0.00 33.22 31.51 1ubr n MET 333 CO 0.00 0.00 0.00 1.04 1.51 0.00 0.00 175.97 178.52 1ubr n GLN 334 N -1.27 2.69 -3.17 0.03 1.13 -0.41 -4.85 117.38 111.53 1ubr n GLN 334 Ca 0.14 -2.31 -0.39 0.00 -1.94 0.00 0.00 57.00 52.49 1ubr n GLN 334 Cb 0.25 -1.57 -0.06 0.00 0.11 0.00 0.00 30.24 28.98 1ubr n GLN 334 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1ubr s ILE 335 N -1.33 5.08 0.02 5.09 1.01 -1.24 -1.72 121.20 128.12 1ubr s ILE 335 Ca 0.43 1.15 0.03 0.00 0.00 0.00 0.00 60.65 62.26 1ubr s ILE 335 Cb 0.24 -3.92 -0.02 0.00 0.01 0.00 0.00 42.46 38.77 1ubr s ILE 335 CO 0.27 0.20 -0.11 -1.61 0.00 0.00 0.00 174.94 173.69 1ubr s GLU 336 N 1.32 0.76 -0.27 2.79 2.02 -0.64 -4.14 118.70 120.55 1ubr s GLU 336 Ca 0.29 -0.56 -0.08 0.00 0.02 0.00 0.00 54.97 54.65 1ubr s GLU 336 Cb -0.16 -0.71 -0.02 0.00 0.10 0.00 0.00 34.13 33.34 1ubr s GLU 336 CO 0.12 0.18 0.08 -1.21 0.02 0.00 0.00 175.26 174.45 1ubr s GLU 337 N -0.81 3.49 0.36 1.61 2.02 -0.01 -0.34 118.70 125.02 1ubr s GLU 337 Ca 0.00 -0.59 -0.15 0.00 0.02 0.00 0.00 54.97 54.25 1ubr s GLU 337 Cb -0.06 -3.37 -0.09 0.00 0.10 0.00 0.00 34.13 30.71 1ubr s GLU 337 CO 0.00 -0.27 0.79 -1.01 0.02 0.00 0.00 175.26 174.79 1ubr s HIS 338 N 1.59 3.38 0.00 1.61 3.76 0.02 -1.72 115.29 123.94 1ubr s HIS 338 Ca 0.05 1.27 0.00 0.00 -0.15 0.00 0.00 55.06 56.24 1ubr s HIS 338 Cb -0.16 -2.59 0.00 0.00 1.11 0.00 0.00 32.58 30.94 1ubr s HIS 338 CO 0.04 0.01 0.25 1.33 -0.85 0.00 0.00 174.74 175.51 1ubr n VAL 339 N -0.61 0.00 -0.22 -0.90 0.24 -1.26 -0.90 118.33 114.67 1ubr n VAL 339 Ca 0.04 -0.31 0.15 0.00 -2.04 0.00 0.00 64.34 62.18 1ubr n VAL 339 Cb 0.53 1.31 0.46 0.00 -1.47 0.00 0.00 33.84 34.67 1ubr n VAL 339 CO 0.00 0.00 0.00 -0.09 -2.14 0.00 0.00 176.83 174.60 1ubr h ARG 340 N 0.00 0.50 -0.34 7.34 1.12 -1.75 -0.41 114.38 120.85 1ubr h ARG 340 Ca 0.00 -0.03 -0.03 0.00 -1.11 0.00 0.00 59.98 58.81 1ubr h ARG 340 Cb 0.15 -0.11 -0.02 0.00 -0.01 0.00 0.00 29.97 29.98 1ubr h ARG 340 CO 0.00 0.33 0.01 0.72 -3.11 0.00 0.00 179.97 177.92 1ubr n HIS 341 N -4.52 1.20 -4.42 2.20 8.25 -1.26 -4.62 115.22 112.04 1ubr n HIS 341 Ca 0.17 -0.93 -0.25 0.00 -0.26 0.00 0.00 57.72 56.45 1ubr n HIS 341 Cb 0.55 -0.38 -0.09 0.00 1.12 0.00 0.00 29.99 31.19 1ubr n HIS 341 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 1ubr s SER 342 N -1.78 3.95 -1.44 0.41 0.01 -0.16 -1.58 113.70 113.10 1ubr s SER 342 Ca 0.45 -1.03 -0.09 0.00 1.31 0.00 0.00 55.95 56.60 1ubr s SER 342 Cb 0.36 -0.46 0.04 0.00 0.21 0.00 0.00 66.02 66.18 1ubr s SER 342 CO 0.09 -0.14 2.51 0.79 0.41 0.00 0.00 173.24 176.91 1ubr n TRP 343 N -0.82 2.68 -4.27 2.43 8.01 -0.26 -4.82 117.44 120.39 1ubr n TRP 343 Ca -0.05 -2.94 -0.15 0.00 -1.31 0.00 0.00 57.50 53.06 1ubr n TRP 343 Cb 0.62 -2.17 -0.10 0.00 -2.01 0.00 0.00 31.31 27.65 1ubr n TRP 343 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 177.69 177.39 1ubr s TYR 344 N 0.72 1.33 0.22 -5.99 1.51 -1.23 -0.61 117.35 113.30 1ubr s TYR 344 Ca 0.57 -0.92 -0.31 0.00 -1.01 0.00 0.00 57.07 55.40 1ubr s TYR 344 Cb 0.17 -0.75 -0.11 0.00 -0.11 0.00 0.00 41.96 41.16 1ubr s TYR 344 CO -0.07 -0.08 1.61 -1.21 -1.11 0.00 0.00 175.55 174.69 1ubr s GLU 345 N -3.85 4.17 2.00 -0.62 2.02 0.17 -4.64 118.70 117.95 1ubr s GLU 345 Ca 0.23 2.48 0.00 0.00 0.02 0.00 0.00 54.97 57.70 1ubr s GLU 345 Cb 0.05 -3.09 0.00 0.00 0.10 0.00 0.00 34.13 31.19 1ubr s GLU 345 CO 0.04 -0.64 0.00 0.41 0.02 0.00 0.00 175.26 175.10 1ubr n GLY 346 N 3.28 -1.32 0.00 -1.39 0.00 -1.26 -4.65 105.19 99.85 1ubr n GLY 346 Ca 0.12 -1.34 0.00 0.00 0.00 0.00 0.00 46.02 44.81 1ubr n GLY 346 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ubr n ALA 347 N 2.34 0.91 -2.65 4.61 0.00 -1.26 -4.30 120.51 120.15 1ubr n ALA 347 Ca 0.00 -0.40 -0.41 0.00 0.00 0.00 0.00 53.44 52.63 1ubr n ALA 347 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.40 1ubr n ALA 347 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1ubr s GLU 348 N 0.00 4.21 0.53 0.00 2.12 -1.26 -4.32 118.70 119.97 1ubr s GLU 348 Ca 0.00 0.75 -0.20 0.00 0.36 0.00 0.00 54.97 55.88 1ubr s GLU 348 Cb 0.00 -3.60 -0.06 0.00 0.26 0.00 0.00 34.13 30.73 1ubr s GLU 348 CO 0.00 -0.33 1.12 0.00 -0.54 0.00 0.00 175.26 175.51 1ubr s ALA 349 N 2.20 2.75 -0.01 6.30 0.00 -1.26 -4.50 121.76 127.25 1ubr s ALA 349 Ca 0.31 0.81 0.01 0.00 0.00 0.00 0.00 51.96 53.10 1ubr s ALA 349 Cb -0.16 -3.35 -0.00 0.00 0.00 0.00 0.00 23.12 19.61 1ubr s ALA 349 CO 0.10 -0.70 -0.04 1.03 0.00 0.00 0.00 175.76 176.15 1ubr s ARG 350 N -3.20 0.34 0.32 0.00 1.81 -0.70 -4.86 118.95 112.66 1ubr s ARG 350 Ca 0.71 -0.13 -0.29 0.00 -1.72 0.00 0.00 55.73 54.30 1ubr s ARG 350 Cb -0.24 -0.35 -0.10 0.00 -0.45 0.00 0.00 34.95 33.81 1ubr s ARG 350 CO 0.27 0.07 1.38 -1.58 -0.68 0.00 0.00 175.30 174.76 1ubr s HIS 351 N 0.01 2.93 0.51 -0.53 5.65 -1.26 -0.83 115.29 121.77 1ubr s HIS 351 Ca 0.00 1.27 0.42 0.00 0.25 0.00 0.00 55.06 57.00 1ubr s HIS 351 Cb -0.03 -3.80 2.18 0.00 -1.18 0.00 0.00 32.58 29.76 1ubr s HIS 351 CO -0.00 -2.32 2.27 -1.35 -0.65 0.00 0.00 174.74 172.69 1ubr h PRO 352 N 3.65 0.00 0.00 2.88 0.11 -1.95 0.13 132.00 136.82 1ubr h PRO 352 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1ubr h PRO 352 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1ubr h PRO 352 CO 0.68 0.00 0.00 0.91 -0.21 0.00 0.00 178.00 179.38 1ubr n TRP 353 N -3.03 0.00 -1.84 0.65 8.01 -1.26 -2.18 117.44 117.79 1ubr n TRP 353 Ca -0.02 0.00 0.04 0.00 -1.31 0.00 0.00 57.50 56.20 1ubr n TRP 353 Cb 0.11 -0.27 0.16 0.00 -2.01 0.00 0.00 31.31 29.30 1ubr n TRP 353 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.69 178.31 1ubr n LYS 354 N -1.27 1.38 -1.37 -0.99 5.02 0.41 -4.94 118.16 116.42 1ubr n LYS 354 Ca 0.12 -3.09 -0.32 0.00 -2.02 0.00 0.00 58.31 53.01 1ubr n LYS 354 Cb 0.19 -1.32 0.08 0.00 -0.02 0.00 0.00 35.03 33.97 1ubr n LYS 354 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 1ubr s GLY 355 N -3.01 1.81 -0.01 0.72 0.00 -0.90 -4.67 107.32 101.25 1ubr s GLY 355 Ca 0.38 0.36 0.01 0.00 0.00 0.00 0.00 44.72 45.46 1ubr s GLY 355 CO -0.08 0.71 -0.01 1.20 0.00 0.00 0.00 173.10 174.91 1ubr s GLN 356 N -4.67 0.17 -0.42 2.90 -0.21 -1.26 -5.03 119.66 111.14 1ubr s GLN 356 Ca 0.63 -0.03 0.02 0.00 0.02 0.00 0.00 55.36 55.99 1ubr s GLN 356 Cb -0.18 -0.22 0.13 0.00 1.00 0.00 0.00 33.01 33.74 1ubr s GLN 356 CO 0.52 0.00 0.22 0.99 -2.12 0.00 0.00 175.29 174.91 1ubr s THR 357 N 0.19 1.20 -0.55 -0.19 2.01 -1.26 -5.05 115.64 111.99 1ubr s THR 357 Ca -0.02 -2.35 0.04 0.00 0.31 0.00 0.00 61.69 59.68 1ubr s THR 357 Cb -0.04 -1.85 0.15 0.00 0.01 0.00 0.00 72.50 70.78 1ubr s THR 357 CO -0.01 -0.89 0.35 -1.10 -0.69 0.00 0.00 174.62 172.29 1ubr s GLN 358 N 0.55 1.83 0.52 4.92 -0.21 -1.26 -4.87 119.66 121.14 1ubr s GLN 358 Ca 0.17 -2.66 -0.22 0.00 0.02 0.00 0.00 55.36 52.67 1ubr s GLN 358 Cb -0.24 -2.84 -0.06 0.00 1.00 0.00 0.00 33.01 30.87 1ubr s GLN 358 CO -0.01 -1.22 1.33 -1.25 -2.12 0.00 0.00 175.29 172.01 1ubr s PRO 359 N -0.50 3.33 -0.30 2.91 0.04 -1.26 -0.65 135.00 138.56 1ubr s PRO 359 Ca 0.22 2.17 0.06 0.00 0.04 0.00 0.00 61.00 63.49 1ubr s PRO 359 Cb -0.14 -2.34 0.20 0.00 0.04 0.00 0.00 34.50 32.26 1ubr s PRO 359 CO -0.09 -1.02 0.58 0.21 0.04 0.00 0.00 177.00 176.73 1ubr s LYS 360 N -2.80 0.57 0.08 4.56 2.47 0.22 -4.65 119.74 120.19 1ubr s LYS 360 Ca 0.69 0.47 -0.28 0.00 -1.56 0.00 0.00 55.97 55.29 1ubr s LYS 360 Cb -0.39 0.21 -0.05 0.00 -1.46 0.00 0.00 37.83 36.14 1ubr s LYS 360 CO 0.46 -1.06 0.89 -0.47 0.16 0.00 0.00 175.35 175.33 1ubr s TYR 361 N 2.75 3.77 0.00 4.03 5.04 -1.26 -3.51 117.35 128.16 1ubr s TYR 361 Ca 0.10 1.66 0.00 0.00 -2.44 0.00 0.00 57.07 56.40 1ubr s TYR 361 Cb -0.10 -2.97 0.00 0.00 0.35 0.00 0.00 41.96 39.25 1ubr s TYR 361 CO -0.25 0.22 0.78 0.25 -1.34 0.00 0.00 175.55 175.21 1ubr n THR 362 N 2.89 0.60 -0.75 4.34 -2.24 -1.26 -5.10 114.28 112.75 1ubr n THR 362 Ca 0.01 -0.64 0.10 0.00 -2.27 0.00 0.00 64.05 61.25 1ubr n THR 362 Cb 0.50 0.74 -0.03 0.00 -2.10 0.00 0.00 70.33 69.44 1ubr n THR 362 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1ubr n ASP 363 N -0.30 -4.46 -4.63 3.42 4.64 -1.26 -3.60 116.55 110.36 1ubr n ASP 363 Ca 0.00 0.41 -0.43 0.00 -1.38 0.00 0.00 54.79 53.40 1ubr n ASP 363 Cb 0.30 -2.34 -0.03 0.00 -1.04 0.00 0.00 41.12 38.02 1ubr n ASP 363 CO 0.00 0.00 0.00 -0.76 -0.82 0.00 0.00 177.20 175.62 1ubr s LEU 364 N -5.40 3.87 -0.55 -2.67 1.43 -1.26 -1.71 118.68 112.39 1ubr s LEU 364 Ca 0.00 1.90 0.00 0.00 -1.03 0.00 0.00 54.13 55.00 1ubr s LEU 364 Cb 0.00 -3.53 0.00 0.00 0.03 0.00 0.00 46.19 42.69 1ubr s LEU 364 CO 0.00 -1.43 0.00 1.41 0.23 0.00 0.00 176.35 176.56 1ubr n HIS 365 N 9.22 0.00 -2.21 0.29 8.25 0.52 -4.98 115.22 126.31 1ubr n HIS 365 Ca 0.22 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.26 1ubr n HIS 365 Cb 0.44 -1.51 -0.03 0.00 1.12 0.00 0.00 29.99 30.01 1ubr n HIS 365 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 1ubr s GLY 366 N -2.43 1.95 -1.27 -1.41 0.00 -0.69 -1.99 107.32 101.47 1ubr s GLY 366 Ca 0.00 0.98 -0.06 0.00 0.00 0.00 0.00 44.72 45.65 1ubr s GLY 366 CO 0.00 2.41 0.36 1.34 0.00 0.00 0.00 173.10 177.21 1ubr n ASP 367 N 4.65 -4.25 -1.52 1.64 4.64 -1.26 -1.62 116.55 118.83 1ubr n ASP 367 Ca 0.12 -0.19 -0.15 0.00 -1.38 0.00 0.00 54.79 53.18 1ubr n ASP 367 Cb 0.43 -3.52 -0.03 0.00 -1.04 0.00 0.00 41.12 36.96 1ubr n ASP 367 CO 0.00 0.00 0.00 -0.67 -0.82 0.00 0.00 177.20 175.71 1ubr n ASP 368 N -2.19 -4.73 -4.54 1.67 4.64 -0.84 -4.95 116.55 105.61 1ubr n ASP 368 Ca -0.07 0.15 -0.34 0.00 -1.38 0.00 0.00 54.79 53.15 1ubr n ASP 368 Cb 0.58 -3.75 -0.12 0.00 -1.04 0.00 0.00 41.12 36.79 1ubr n ASP 368 CO 0.00 0.00 0.00 -0.13 -0.82 0.00 0.00 177.20 176.25 1ubr s ARG 369 N -4.15 2.73 0.00 -0.67 0.52 -0.64 -4.45 118.95 112.29 1ubr s ARG 369 Ca 0.00 -0.59 0.00 0.00 -0.52 0.00 0.00 55.73 54.62 1ubr s ARG 369 Cb 0.00 -2.54 0.00 0.00 0.52 0.00 0.00 34.95 32.93 1ubr s ARG 369 CO 0.00 0.62 0.71 2.48 0.02 0.00 0.00 175.30 179.13 1ubr n TYR 370 N 2.33 0.00 -3.59 -0.53 4.11 -0.62 -0.36 117.16 118.51 1ubr n TYR 370 Ca -0.18 0.00 -0.16 0.00 -0.00 0.00 0.00 57.90 57.56 1ubr n TYR 370 Cb 0.53 0.10 -0.07 0.00 -0.00 0.00 0.00 39.34 39.90 1ubr n TYR 370 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.86 177.31 1ubr s SER 371 N -0.45 -0.51 0.00 9.48 0.15 -1.25 -4.14 113.70 116.98 1ubr s SER 371 Ca 0.00 0.49 0.29 0.00 0.70 0.00 0.00 55.95 57.42 1ubr s SER 371 Cb 0.00 0.47 1.19 0.00 -1.71 0.00 0.00 66.02 65.97 1ubr s SER 371 CO 0.00 -0.58 1.86 0.79 1.20 0.00 0.00 173.24 176.51 1ubr n TRP 372 N 0.95 0.00 -2.82 3.44 7.02 -0.65 -1.10 117.44 124.29 1ubr n TRP 372 Ca -0.20 0.00 -0.38 0.00 -1.02 0.00 0.00 57.50 55.90 1ubr n TRP 372 Cb 0.57 -0.31 -0.06 0.00 -2.42 0.00 0.00 31.31 29.08 1ubr n TRP 372 CO 0.00 0.00 0.00 -1.64 -2.02 0.00 0.00 177.69 174.03 1ubr s MET 373 N -2.74 4.65 0.96 -0.99 -1.94 -1.26 -4.80 119.30 113.17 1ubr s MET 373 Ca 0.21 1.33 -0.12 0.00 -1.71 0.00 0.00 55.69 55.40 1ubr s MET 373 Cb 0.19 -3.01 0.16 0.00 2.01 0.00 0.00 34.83 34.18 1ubr s MET 373 CO 0.52 0.40 1.12 0.15 -0.01 0.00 0.00 175.02 177.20 1ubr s LYS 374 N -1.66 0.78 -0.50 2.03 1.02 -1.26 -4.44 119.74 115.70 1ubr s LYS 374 Ca 0.45 0.38 0.03 0.00 0.02 0.00 0.00 55.97 56.85 1ubr s LYS 374 Cb -0.21 -1.79 0.13 0.00 -0.52 0.00 0.00 37.83 35.44 1ubr s LYS 374 CO 0.27 -2.46 0.25 0.00 -0.92 0.00 0.00 175.35 172.48 1ubr s ALA 375 N -3.14 3.28 0.35 5.17 0.00 -0.08 -4.28 121.76 123.06 1ubr s ALA 375 Ca 0.65 -3.18 -0.27 0.00 0.00 0.00 0.00 51.96 49.15 1ubr s ALA 375 Cb -0.16 -2.18 -0.09 0.00 0.00 0.00 0.00 23.12 20.69 1ubr s ALA 375 CO 0.55 -1.98 1.22 -2.14 0.00 0.00 0.00 175.76 173.41 1ubr s PRO 376 N -0.12 4.27 0.02 0.00 0.02 -1.26 -0.80 135.00 137.14 1ubr s PRO 376 Ca 0.16 2.00 0.02 0.00 0.02 0.00 0.00 61.00 63.21 1ubr s PRO 376 Cb -0.25 -2.93 -0.02 0.00 0.02 0.00 0.00 34.50 31.33 1ubr s PRO 376 CO -0.01 -0.18 -0.07 1.03 -0.33 0.00 0.00 177.00 177.43 1ubr s ARG 377 N -1.94 0.53 -0.24 5.54 1.81 0.53 -4.66 118.95 120.52 1ubr s ARG 377 Ca 0.52 -0.53 -0.03 0.00 -1.72 0.00 0.00 55.73 53.96 1ubr s ARG 377 Cb -0.35 -0.41 0.01 0.00 -0.45 0.00 0.00 34.95 33.76 1ubr s ARG 377 CO 0.45 0.09 -0.05 -0.47 -0.68 0.00 0.00 175.30 174.65 1ubr s TYR 378 N -0.83 3.02 -1.38 -0.53 6.14 -0.20 -1.61 117.35 121.96 1ubr s TYR 378 Ca -0.04 -1.29 -0.11 0.00 0.64 0.00 0.00 57.07 56.27 1ubr s TYR 378 Cb -0.07 -2.09 0.08 0.00 0.42 0.00 0.00 41.96 40.30 1ubr s TYR 378 CO 0.00 -0.66 0.60 -1.33 0.64 0.00 0.00 175.55 174.80 1ubr n MET 379 N 4.73 -3.77 -0.96 4.97 2.81 -0.70 -0.84 117.12 123.36 1ubr n MET 379 Ca -0.17 0.51 0.00 0.00 -1.81 0.00 0.00 57.70 56.23 1ubr n MET 379 Cb 0.49 -5.26 0.00 0.00 -0.71 0.00 0.00 33.22 27.73 1ubr n MET 379 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1ubr n GLY 380 N -1.29 0.80 3.69 3.03 0.00 -1.26 -5.03 105.19 105.13 1ubr n GLY 380 Ca -0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 1ubr n GLY 380 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ubr s GLU 381 N -0.11 2.61 0.06 1.61 0.41 -0.02 -4.96 118.70 118.29 1ubr s GLU 381 Ca 0.00 -0.78 -0.30 0.00 -0.41 0.00 0.00 54.97 53.47 1ubr s GLU 381 Cb 0.00 -2.57 -0.05 0.00 -1.78 0.00 0.00 34.13 29.73 1ubr s GLU 381 CO 0.00 0.56 1.10 -1.25 -0.49 0.00 0.00 175.26 175.18 1ubr s PRO 382 N -2.13 4.50 -0.10 0.39 0.04 -1.26 -1.03 135.00 135.42 1ubr s PRO 382 Ca 0.24 1.63 0.02 0.00 0.04 0.00 0.00 61.00 62.94 1ubr s PRO 382 Cb -0.12 -3.38 0.01 0.00 0.04 0.00 0.00 34.50 31.06 1ubr s PRO 382 CO 0.16 -0.13 -0.17 -1.64 0.04 0.00 0.00 177.00 175.27 1ubr s MET 383 N 0.84 2.31 0.26 4.56 -1.94 -1.26 -4.47 119.30 119.60 1ubr s MET 383 Ca 0.55 -0.61 -0.29 0.00 -1.71 0.00 0.00 55.69 53.63 1ubr s MET 383 Cb -0.26 -1.89 -0.09 0.00 2.01 0.00 0.00 34.83 34.59 1ubr s MET 383 CO 0.29 0.01 1.26 -2.00 -0.01 0.00 0.00 175.02 174.57 1ubr s GLU 384 N 0.78 4.43 0.26 2.03 2.12 0.28 -4.24 118.70 124.37 1ubr s GLU 384 Ca -0.11 2.05 0.03 0.00 0.36 0.00 0.00 54.97 57.31 1ubr s GLU 384 Cb -0.16 -3.15 -0.06 0.00 0.26 0.00 0.00 34.13 31.03 1ubr s GLU 384 CO 0.02 -0.12 0.04 -0.08 -0.54 0.00 0.00 175.26 174.57 1ubr s THR 385 N -0.61 0.97 -0.17 -1.70 -1.32 -1.26 -1.32 115.64 110.23 1ubr s THR 385 Ca 0.51 -2.02 0.00 0.00 -1.21 0.00 0.00 61.69 58.97 1ubr s THR 385 Cb -0.37 -2.54 0.00 0.00 -1.51 0.00 0.00 72.50 68.08 1ubr s THR 385 CO 0.44 -0.16 0.00 0.61 -2.21 0.00 0.00 174.62 173.30 1ubr n GLY 386 N -0.51 0.29 0.36 6.08 0.00 -1.03 -4.70 105.19 105.69 1ubr n GLY 386 Ca -0.03 -2.29 0.07 0.00 0.00 0.00 0.00 46.02 43.76 1ubr n GLY 386 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1ubr h PRO 387 N 7.43 0.85 -0.34 1.61 0.11 -1.82 -0.04 132.00 139.80 1ubr h PRO 387 Ca 0.00 -0.05 -0.13 0.00 0.11 0.00 0.00 66.00 65.92 1ubr h PRO 387 Cb 0.00 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 30.91 1ubr h PRO 387 CO 0.00 0.56 -0.33 1.25 -0.21 0.00 0.00 178.00 179.27 1ubr h LEU 388 N 0.88 0.80 -0.38 2.35 6.46 -1.87 0.48 115.31 124.03 1ubr h LEU 388 Ca 0.39 -0.33 -0.07 0.00 -0.12 0.00 0.00 57.88 57.74 1ubr h LEU 388 Cb 0.35 -0.22 -0.01 0.00 -0.73 0.00 0.00 40.66 40.05 1ubr h LEU 388 CO -0.16 1.06 -0.05 0.00 -0.62 0.00 0.00 178.44 178.67 1ubr h ALA 389 N 0.98 0.51 -0.33 1.25 0.00 -1.57 -1.21 119.26 118.90 1ubr h ALA 389 Ca 0.07 -0.29 -0.03 0.00 0.00 0.00 0.00 54.91 54.67 1ubr h ALA 389 Cb 0.87 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 1ubr h ALA 389 CO 0.08 0.34 0.11 0.37 0.00 0.00 0.00 179.25 180.14 1ubr h GLN 390 N 0.51 0.51 -0.10 0.00 4.15 -0.85 -1.38 115.11 117.94 1ubr h GLN 390 Ca 0.10 -0.11 -0.02 0.00 0.77 0.00 0.00 58.65 59.39 1ubr h GLN 390 Cb 0.55 -0.08 -0.00 0.00 0.21 0.00 0.00 27.48 28.16 1ubr h GLN 390 CO 0.03 0.54 -0.01 0.28 -1.93 0.00 0.00 178.83 177.74 1ubr h VAL 391 N 0.38 1.27 -0.40 2.39 2.07 -0.90 -0.91 116.25 120.16 1ubr h VAL 391 Ca 0.11 -0.88 -0.11 0.00 0.82 0.00 0.00 66.70 66.64 1ubr h VAL 391 Cb 0.24 1.65 -0.02 0.00 -1.52 0.00 0.00 31.29 31.64 1ubr h VAL 391 CO -0.00 0.25 -0.20 -0.07 0.02 0.00 0.00 177.57 177.57 1ubr h LEU 392 N -0.11 0.78 -0.15 2.57 3.38 -1.19 0.94 115.31 121.53 1ubr h LEU 392 Ca 0.03 -0.27 -0.16 0.00 0.09 0.00 0.00 57.88 57.56 1ubr h LEU 392 Cb 0.39 -0.21 0.01 0.00 0.09 0.00 0.00 40.66 40.94 1ubr h LEU 392 CO 0.01 0.97 -0.54 0.40 0.09 0.00 0.00 178.44 179.36 1ubr h ILE 393 N 0.68 1.33 -0.50 1.22 2.04 -1.26 -1.64 117.51 119.38 1ubr h ILE 393 Ca 0.10 -1.80 -0.01 0.00 1.00 0.00 0.00 64.86 64.15 1ubr h ILE 393 Cb 0.70 2.02 -0.02 0.00 -0.74 0.00 0.00 36.82 38.78 1ubr h ILE 393 CO 0.05 0.56 0.29 0.00 0.00 0.00 0.00 178.15 179.05 1ubr h ALA 394 N 0.54 0.64 -0.49 1.87 0.00 -1.04 -0.75 119.26 120.03 1ubr h ALA 394 Ca -0.02 -0.08 0.08 0.00 0.00 0.00 0.00 54.91 54.89 1ubr h ALA 394 Cb 1.17 -0.20 -0.07 0.00 0.00 0.00 0.00 17.79 18.69 1ubr h ALA 394 CO 0.11 0.14 0.11 -0.92 0.00 0.00 0.00 179.25 178.69 1ubr h TYR 395 N 0.67 0.18 0.00 0.00 3.20 -0.71 -1.65 116.97 118.65 1ubr h TYR 395 Ca 0.18 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.08 1ubr h TYR 395 Cb 0.01 -0.01 0.00 0.00 1.54 0.00 0.00 36.73 38.28 1ubr h TYR 395 CO -0.02 0.01 0.00 0.77 -1.64 0.00 0.00 178.16 177.28 1ubr h SER 396 N 0.25 0.00 -0.03 -2.11 0.02 -0.57 -0.75 113.55 110.36 1ubr h SER 396 Ca 0.24 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.19 1ubr h SER 396 Cb 0.31 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.85 1ubr h SER 396 CO -0.30 0.00 0.00 0.00 -1.14 0.00 0.00 176.83 175.39 1ubr n GLN 397 N -2.36 1.49 -0.79 3.45 6.02 -0.36 -4.95 117.38 119.89 1ubr n GLN 397 Ca 0.03 -0.72 0.00 0.00 -0.01 0.00 0.00 57.00 56.30 1ubr n GLN 397 Cb 0.31 -1.47 0.00 0.00 1.02 0.00 0.00 30.24 30.10 1ubr n GLN 397 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1ubr n GLY 398 N 1.12 0.56 3.64 1.08 0.00 -0.29 -4.99 105.19 106.31 1ubr n GLY 398 Ca 0.20 -0.80 -0.42 0.00 0.00 0.00 0.00 46.02 44.99 1ubr n GLY 398 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1ubr s HIS 399 N -2.00 1.23 0.28 1.61 5.04 -0.70 -4.86 115.29 115.90 1ubr s HIS 399 Ca 0.00 -0.08 0.04 0.00 -1.54 0.00 0.00 55.06 53.48 1ubr s HIS 399 Cb 0.00 -4.13 0.41 0.00 0.04 0.00 0.00 32.58 28.91 1ubr s HIS 399 CO 0.00 -5.00 1.70 -1.35 -2.34 0.00 0.00 174.74 167.74 1ubr h PRO 400 N 12.32 0.37 -0.06 2.88 0.11 -1.94 -0.48 132.00 145.22 1ubr h PRO 400 Ca -0.46 -0.16 -0.22 0.00 0.11 0.00 0.00 66.00 65.26 1ubr h PRO 400 Cb 1.24 -0.01 0.02 0.00 0.11 0.00 0.00 31.00 32.35 1ubr h PRO 400 CO 0.95 0.67 -0.83 0.87 -0.21 0.00 0.00 178.00 179.45 1ubr h LYS 401 N 0.32 0.66 -0.68 1.05 1.79 -1.99 -1.23 116.57 116.49 1ubr h LYS 401 Ca 0.04 -0.64 -0.01 0.00 -2.18 0.00 0.00 60.65 57.86 1ubr h LYS 401 Cb 0.76 0.16 -0.03 0.00 -1.58 0.00 0.00 32.23 31.54 1ubr h LYS 401 CO 0.06 1.24 0.39 0.28 -1.08 0.00 0.00 179.45 180.34 1ubr h VAL 402 N 0.32 1.21 -0.56 0.50 2.07 -1.93 -0.84 116.25 117.02 1ubr h VAL 402 Ca -0.09 -0.50 -0.05 0.00 0.82 0.00 0.00 66.70 66.89 1ubr h VAL 402 Cb 1.49 0.30 -0.02 0.00 -1.52 0.00 0.00 31.29 31.53 1ubr h VAL 402 CO 0.17 0.22 0.15 0.50 0.02 0.00 0.00 177.57 178.63 1ubr h LYS 403 N 0.93 0.88 -0.62 1.57 3.64 -1.03 0.23 116.57 122.17 1ubr h LYS 403 Ca 0.24 -0.20 -0.05 0.00 -1.27 0.00 0.00 60.65 59.37 1ubr h LYS 403 Cb 0.01 -0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 31.69 1ubr h LYS 403 CO -0.04 0.81 0.19 0.00 -2.27 0.00 0.00 179.45 178.14 1ubr h ALA 404 N 1.03 0.82 0.00 5.00 0.00 -0.86 -0.61 119.26 124.64 1ubr h ALA 404 Ca 0.18 -0.21 -0.12 0.00 0.00 0.00 0.00 54.91 54.75 1ubr h ALA 404 Cb 0.31 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 1ubr h ALA 404 CO -0.00 0.50 -1.03 -0.39 0.00 0.00 0.00 179.25 178.33 1ubr h VAL 405 N 0.90 0.54 -0.28 0.00 -1.51 -0.94 -2.52 116.25 112.43 1ubr h VAL 405 Ca 0.20 -1.91 -0.12 0.00 -1.23 0.00 0.00 66.70 63.64 1ubr h VAL 405 Cb 0.31 2.09 -0.01 0.00 -2.13 0.00 0.00 31.29 31.54 1ubr h VAL 405 CO -0.00 0.30 -0.34 0.71 -1.23 0.00 0.00 177.57 177.01 1ubr h THR 406 N 0.00 1.29 -0.99 7.19 1.35 -0.77 -1.59 112.91 119.39 1ubr h THR 406 Ca -0.09 -1.47 0.01 0.00 -0.55 0.00 0.00 66.41 64.32 1ubr h THR 406 Cb 1.43 1.43 -0.05 0.00 -1.73 0.00 0.00 68.15 69.23 1ubr h THR 406 CO 0.05 0.47 0.66 0.44 -0.25 0.00 0.00 175.52 176.88 1ubr h ASP 407 N 0.52 1.13 -0.55 5.36 3.32 -1.14 -0.25 116.42 124.82 1ubr h ASP 407 Ca 0.06 -0.03 -0.11 0.00 0.02 0.00 0.00 57.03 56.97 1ubr h ASP 407 Cb 0.83 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 40.08 1ubr h ASP 407 CO 0.07 0.82 -0.10 0.00 -1.72 0.00 0.00 179.24 178.31 1ubr h ALA 408 N 1.37 0.78 -0.31 3.45 0.00 -0.98 0.29 119.26 123.87 1ubr h ALA 408 Ca 0.37 -0.35 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 1ubr h ALA 408 Cb -0.14 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.44 1ubr h ALA 408 CO -0.08 0.67 0.12 0.28 0.00 0.00 0.00 179.25 180.24 1ubr h VAL 409 N 0.92 1.19 -0.56 0.00 2.07 -0.88 0.82 116.25 119.81 1ubr h VAL 409 Ca 0.14 -0.57 0.02 0.00 0.82 0.00 0.00 66.70 67.11 1ubr h VAL 409 Cb 0.67 0.99 -0.03 0.00 -1.52 0.00 0.00 31.29 31.40 1ubr h VAL 409 CO 0.05 0.20 0.35 -0.07 0.02 0.00 0.00 177.57 178.12 1ubr h LEU 410 N 0.35 0.59 -0.67 2.57 4.07 -0.89 -1.68 115.31 119.65 1ubr h LEU 410 Ca 0.10 -0.00 -0.11 0.00 0.08 0.00 0.00 57.88 57.95 1ubr h LEU 410 Cb 0.20 -0.13 -0.02 0.00 1.08 0.00 0.00 40.66 41.79 1ubr h LEU 410 CO -0.01 0.42 -0.10 0.00 -1.08 0.00 0.00 178.44 177.67 1ubr h ALA 411 N 1.23 0.86 -0.74 1.53 0.00 -0.69 -1.40 119.26 120.04 1ubr h ALA 411 Ca 0.22 -0.34 -0.04 0.00 0.00 0.00 0.00 54.91 54.75 1ubr h ALA 411 Cb -0.02 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.54 1ubr h ALA 411 CO -0.08 0.65 0.31 -0.22 0.00 0.00 0.00 179.25 179.91 1ubr h LYS 412 N 0.84 1.10 0.00 0.00 1.63 -0.43 -2.78 116.57 116.93 1ubr h LYS 412 Ca 0.14 -0.19 0.00 0.00 -0.85 0.00 0.00 60.65 59.74 1ubr h LYS 412 Cb 0.64 -0.18 0.00 0.00 -0.60 0.00 0.00 32.23 32.08 1ubr h LYS 412 CO 0.04 0.89 0.00 -0.07 -3.45 0.00 0.00 179.45 176.87 1ubr h LEU 413 N 1.06 0.00 0.25 5.20 3.38 -1.11 -3.47 115.31 120.62 1ubr h LEU 413 Ca 0.25 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 58.02 1ubr h LEU 413 Cb 0.20 0.00 0.03 0.00 0.09 0.00 0.00 40.66 40.97 1ubr h LEU 413 CO -0.02 0.00 -0.30 0.61 0.09 0.00 0.00 178.44 178.82 1ubr n GLY 414 N 0.99 0.09 3.47 0.83 0.00 -0.57 -4.99 105.19 105.01 1ubr n GLY 414 Ca 0.05 -0.34 -0.23 0.00 0.00 0.00 0.00 46.02 45.50 1ubr n GLY 414 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1ubr s VAL 415 N -2.84 1.97 0.66 1.61 -7.23 -0.98 -5.05 120.40 108.53 1ubr s VAL 415 Ca 0.15 -2.19 -0.03 0.00 -1.81 0.00 0.00 61.98 58.09 1ubr s VAL 415 Cb -0.06 -2.48 0.06 0.00 0.56 0.00 0.00 36.38 34.46 1ubr s VAL 415 CO 0.18 -0.29 0.93 -0.83 -0.31 0.00 0.00 175.10 174.78 1ubr s GLY 416 N -3.50 1.75 0.53 2.32 0.00 -1.26 -4.61 107.32 102.54 1ubr s GLY 416 Ca 0.30 -1.15 0.27 0.00 0.00 0.00 0.00 44.72 44.14 1ubr s GLY 416 CO 0.14 -0.77 2.09 -0.56 0.00 0.00 0.00 173.10 173.99 1ubr h PRO 417 N -0.37 0.00 -0.06 2.90 0.13 -2.01 -1.64 132.00 130.94 1ubr h PRO 417 Ca -0.43 0.00 0.02 0.00 -0.87 0.00 0.00 66.00 64.72 1ubr h PRO 417 Cb 1.30 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.43 1ubr h PRO 417 CO 0.55 0.11 0.07 0.93 -0.23 0.00 0.00 178.00 179.43 1ubr h GLU 418 N 0.00 0.00 0.00 0.86 3.07 -2.00 0.23 114.58 116.74 1ubr h GLU 418 Ca -0.00 0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1ubr h GLU 418 Cb 0.30 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.21 1ubr h GLU 418 CO 0.01 0.00 -0.01 0.00 -1.40 0.00 0.00 179.01 177.61 1ubr h ALA 419 N 1.91 1.09 0.00 3.43 0.00 -1.63 -2.38 119.26 121.68 1ubr h ALA 419 Ca 0.03 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1ubr h ALA 419 Cb 0.18 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1ubr h ALA 419 CO -0.00 0.02 0.00 -0.07 0.00 0.00 0.00 179.25 179.20 1ubr h LEU 420 N 0.00 0.00 -6.21 0.00 3.38 -1.13 -3.32 115.31 108.03 1ubr h LEU 420 Ca -0.00 0.00 -0.75 0.00 0.09 0.00 0.00 57.88 57.22 1ubr h LEU 420 Cb 0.14 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 40.75 1ubr h LEU 420 CO 0.00 0.00 2.20 0.49 0.09 0.00 0.00 178.44 181.23 1ubr n PHE 421 N -2.55 2.85 -3.74 1.13 3.72 -0.90 -3.93 117.46 114.05 1ubr n PHE 421 Ca 0.02 -2.81 -0.04 0.00 -0.05 0.00 0.00 57.45 54.58 1ubr n PHE 421 Cb 0.30 -1.96 -0.01 0.00 -0.94 0.00 0.00 39.48 36.87 1ubr n PHE 421 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 1ubr s SER 422 N 0.86 -0.19 0.23 4.37 1.04 -1.26 -3.79 113.70 114.96 1ubr s SER 422 Ca 0.44 -0.38 -0.08 0.00 0.48 0.00 0.00 55.95 56.42 1ubr s SER 422 Cb 0.12 0.48 0.26 0.00 0.10 0.00 0.00 66.02 66.97 1ubr s SER 422 CO -0.02 -0.88 1.86 0.74 0.98 0.00 0.00 173.24 175.92 1ubr h THR 423 N 2.00 1.10 -0.50 2.02 2.02 -0.40 -0.02 112.91 119.13 1ubr h THR 423 Ca -0.24 -0.34 -0.03 0.00 0.77 0.00 0.00 66.41 66.57 1ubr h THR 423 Cb 1.23 0.03 -0.02 0.00 -1.74 0.00 0.00 68.15 67.65 1ubr h THR 423 CO 0.26 0.18 0.18 0.25 0.37 0.00 0.00 175.52 176.76 1ubr h LEU 424 N 0.99 0.71 -1.00 2.58 7.12 -1.69 -2.06 115.31 121.98 1ubr h LEU 424 Ca 0.33 -0.19 -0.07 0.00 0.13 0.00 0.00 57.88 58.08 1ubr h LEU 424 Cb 0.05 -0.19 -0.02 0.00 -0.53 0.00 0.00 40.66 39.97 1ubr h LEU 424 CO -0.13 0.71 -0.03 1.23 -0.13 0.00 0.00 178.44 180.10 1ubr h GLY 425 N 0.67 0.75 1.01 3.75 0.00 -1.50 0.03 103.07 107.79 1ubr h GLY 425 Ca 0.16 -0.49 -0.08 0.00 0.00 0.00 0.00 47.33 46.92 1ubr h GLY 425 CO -0.01 0.46 -0.00 -0.09 0.00 0.00 0.00 176.54 176.90 1ubr h ARG 426 N 0.65 0.89 -0.73 4.80 2.43 -0.89 0.14 114.38 121.67 1ubr h ARG 426 Ca 0.13 -0.28 -0.05 0.00 -0.81 0.00 0.00 59.98 58.96 1ubr h ARG 426 Cb 0.44 -0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 29.89 1ubr h ARG 426 CO 0.02 0.92 0.24 1.15 -1.51 0.00 0.00 179.97 180.79 1ubr h THR 427 N 0.75 1.26 -0.53 0.20 2.02 -0.96 -1.62 112.91 114.03 1ubr h THR 427 Ca 0.14 -0.88 -0.11 0.00 0.77 0.00 0.00 66.41 66.34 1ubr h THR 427 Cb 0.52 0.45 -0.02 0.00 -1.74 0.00 0.00 68.15 67.37 1ubr h THR 427 CO 0.03 0.35 -0.08 0.00 0.37 0.00 0.00 175.52 176.18 1ubr h ALA 428 N 1.12 0.84 -0.55 6.16 0.00 -0.65 -2.85 119.26 123.33 1ubr h ALA 428 Ca 0.24 -0.34 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 1ubr h ALA 428 Cb 0.29 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 1ubr h ALA 428 CO -0.01 0.66 0.24 0.00 0.00 0.00 0.00 179.25 180.14 1ubr h ALA 429 N 1.01 1.40 -0.82 0.00 0.00 -0.43 -0.01 119.26 120.41 1ubr h ALA 429 Ca 0.14 -0.13 0.02 0.00 0.00 0.00 0.00 54.91 54.95 1ubr h ALA 429 Cb 0.63 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 18.15 1ubr h ALA 429 CO 0.04 0.47 0.54 -0.09 0.00 0.00 0.00 179.25 180.20 1ubr h ARG 430 N 0.78 1.04 -0.35 0.00 2.43 -1.08 -0.22 114.38 116.99 1ubr h ARG 430 Ca 0.19 -0.06 -0.07 0.00 -0.81 0.00 0.00 59.98 59.22 1ubr h ARG 430 Cb 0.11 -0.23 -0.01 0.00 -0.42 0.00 0.00 29.97 29.42 1ubr h ARG 430 CO -0.02 0.69 -0.07 0.78 -1.51 0.00 0.00 179.97 179.83 1ubr h GLY 431 N 1.07 0.72 0.59 2.80 0.00 -1.11 -2.25 103.07 104.89 1ubr h GLY 431 Ca 0.31 -0.58 0.05 0.00 0.00 0.00 0.00 47.33 47.11 1ubr h GLY 431 CO -0.09 0.53 0.08 -2.22 0.00 0.00 0.00 176.54 174.85 1ubr h ILE 432 N 0.45 0.83 0.00 2.60 2.04 -0.58 -0.74 117.51 122.12 1ubr h ILE 432 Ca 0.09 -0.07 -0.10 0.00 1.00 0.00 0.00 64.86 65.77 1ubr h ILE 432 Cb 0.57 0.60 -0.01 0.00 -0.74 0.00 0.00 36.82 37.24 1ubr h ILE 432 CO 0.03 0.04 -0.49 -0.08 0.00 0.00 0.00 178.15 177.65 1ubr h GLU 433 N 0.21 0.00 -0.37 2.37 4.81 -1.04 -0.74 114.58 119.83 1ubr h GLU 433 Ca 0.17 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.40 1ubr h GLU 433 Cb 0.19 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.55 1ubr h GLU 433 CO -0.22 0.49 0.24 1.15 -0.73 0.00 0.00 179.01 179.94 1ubr h THR 434 N 0.00 1.10 -0.50 0.32 2.02 -0.67 0.13 112.91 115.32 1ubr h THR 434 Ca -0.00 -0.20 -0.05 0.00 0.77 0.00 0.00 66.41 66.92 1ubr h THR 434 Cb 0.87 0.58 -0.02 0.00 -1.74 0.00 0.00 68.15 67.84 1ubr h THR 434 CO 0.06 0.10 0.12 0.00 0.37 0.00 0.00 175.52 176.17 1ubr h ALA 435 N 1.12 0.66 -0.29 6.16 0.00 -0.60 0.14 119.26 126.45 1ubr h ALA 435 Ca 0.13 -0.21 -0.06 0.00 0.00 0.00 0.00 54.91 54.77 1ubr h ALA 435 Cb -0.04 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 1ubr h ALA 435 CO -0.03 0.36 -0.06 0.28 0.00 0.00 0.00 179.25 179.80 1ubr h VAL 436 N 0.69 1.28 -0.35 0.00 2.07 -0.98 -2.30 116.25 116.66 1ubr h VAL 436 Ca 0.16 -1.07 -0.10 0.00 0.82 0.00 0.00 66.70 66.50 1ubr h VAL 436 Cb 0.34 1.39 -0.01 0.00 -1.52 0.00 0.00 31.29 31.49 1ubr h VAL 436 CO 0.00 0.34 -0.22 0.40 0.02 0.00 0.00 177.57 178.12 1ubr h ILE 437 N 0.31 1.27 -0.88 4.57 2.04 -0.61 -1.05 117.51 123.16 1ubr h ILE 437 Ca 0.07 -1.29 0.02 0.00 1.00 0.00 0.00 64.86 64.67 1ubr h ILE 437 Cb 0.53 1.24 -0.05 0.00 -0.74 0.00 0.00 36.82 37.80 1ubr h ILE 437 CO 0.03 0.42 0.57 0.00 0.00 0.00 0.00 178.15 179.17 1ubr h ALA 438 N 1.17 1.14 -0.38 1.87 0.00 -0.56 0.41 119.26 122.91 1ubr h ALA 438 Ca 0.09 -0.05 -0.12 0.00 0.00 0.00 0.00 54.91 54.84 1ubr h ALA 438 Cb 0.69 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 1ubr h ALA 438 CO 0.05 0.45 -0.21 1.49 0.00 0.00 0.00 179.25 181.03 1ubr h GLU 439 N 1.13 0.82 0.00 0.00 4.81 -1.15 -3.23 114.58 116.97 1ubr h GLU 439 Ca 0.34 -0.37 -0.07 0.00 -0.13 0.00 0.00 59.36 59.13 1ubr h GLU 439 Cb -0.05 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.31 1ubr h GLU 439 CO -0.10 1.00 -0.31 -0.92 -0.73 0.00 0.00 179.01 177.95 1ubr h TYR 440 N 0.62 0.00 -0.92 0.92 3.20 -0.36 -1.63 116.97 118.80 1ubr h TYR 440 Ca 0.08 0.00 0.13 0.00 3.14 0.00 0.00 58.73 62.08 1ubr h TYR 440 Cb 0.77 0.00 -0.07 0.00 1.54 0.00 0.00 36.73 38.97 1ubr h TYR 440 CO 0.06 0.31 0.59 0.28 -1.64 0.00 0.00 178.16 177.76 1ubr h VAL 441 N 0.00 0.89 -0.44 1.81 2.07 -0.96 -0.16 116.25 119.45 1ubr h VAL 441 Ca -0.00 -0.28 -0.09 0.00 0.82 0.00 0.00 66.70 67.14 1ubr h VAL 441 Cb 0.56 -0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.31 1ubr h VAL 441 CO 0.04 0.15 -0.11 1.23 0.02 0.00 0.00 177.57 178.90 1ubr h GLY 442 N 0.82 0.86 0.84 2.17 0.00 -1.41 0.55 103.07 106.90 1ubr h GLY 442 Ca 0.45 -0.65 -0.01 0.00 0.00 0.00 0.00 47.33 47.13 1ubr h GLY 442 CO -0.22 0.60 0.03 -2.08 0.00 0.00 0.00 176.54 174.87 1ubr h VAL 443 N 0.72 1.16 -0.79 4.60 2.07 -1.16 -1.34 116.25 121.51 1ubr h VAL 443 Ca 0.12 -0.48 0.08 0.00 0.82 0.00 0.00 66.70 67.24 1ubr h VAL 443 Cb 0.59 1.33 -0.07 0.00 -1.52 0.00 0.00 31.29 31.63 1ubr h VAL 443 CO 0.04 0.14 0.46 0.24 0.02 0.00 0.00 177.57 178.47 1ubr h MET 444 N -0.05 0.79 -0.59 1.57 2.86 -0.85 -0.70 114.93 117.96 1ubr h MET 444 Ca 0.03 -0.05 -0.02 0.00 -2.06 0.00 0.00 59.70 57.60 1ubr h MET 444 Cb 0.19 -0.18 -0.03 0.00 0.06 0.00 0.00 31.60 31.65 1ubr h MET 444 CO -0.00 0.52 0.28 1.25 1.06 0.00 0.00 176.91 180.02 1ubr h LEU 445 N 0.81 0.78 -0.79 1.22 6.46 -0.73 -0.71 115.31 122.35 1ubr h LEU 445 Ca 0.37 -0.14 -0.07 0.00 -0.12 0.00 0.00 57.88 57.92 1ubr h LEU 445 Cb 0.27 -0.20 -0.03 0.00 -0.73 0.00 0.00 40.66 39.97 1ubr h LEU 445 CO -0.21 0.70 0.12 -0.61 -0.62 0.00 0.00 178.44 177.82 1ubr h GLN 446 N 0.81 1.04 -0.34 1.25 5.75 -0.74 0.09 115.11 122.96 1ubr h GLN 446 Ca 0.20 -0.25 -0.07 0.00 -0.15 0.00 0.00 58.65 58.37 1ubr h GLN 446 Cb 0.13 -0.13 -0.02 0.00 1.07 0.00 0.00 27.48 28.53 1ubr h GLN 446 CO -0.02 0.94 -0.10 0.93 -2.65 0.00 0.00 178.83 177.92 1ubr h GLU 447 N 0.98 0.58 0.13 1.69 5.08 -0.56 0.57 114.58 123.06 1ubr h GLU 447 Ca 0.20 -0.17 -0.01 0.00 -1.00 0.00 0.00 59.36 58.38 1ubr h GLU 447 Cb 0.39 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.58 1ubr h GLU 447 CO 0.01 0.68 -0.06 -0.92 -1.00 0.00 0.00 179.01 177.71 1ubr h TYR 448 N 0.54 -0.17 -0.73 4.33 -0.00 -0.83 0.16 116.97 120.28 1ubr h TYR 448 Ca 0.10 -0.00 0.11 0.00 -0.00 0.00 0.00 58.73 58.94 1ubr h TYR 448 Cb 0.50 0.05 -0.08 0.00 -0.00 0.00 0.00 36.73 37.20 1ubr h TYR 448 CO 0.02 0.08 0.33 0.87 -0.00 0.00 0.00 178.16 179.46 1ubr h LYS 449 N -0.39 0.51 -0.60 1.82 1.57 -0.76 -1.21 116.57 117.51 1ubr h LYS 449 Ca -0.02 -0.03 -0.04 0.00 -1.87 0.00 0.00 60.65 58.69 1ubr h LYS 449 Cb 0.32 -0.12 -0.03 0.00 0.08 0.00 0.00 32.23 32.48 1ubr h LYS 449 CO 0.03 0.34 0.22 -0.44 -0.57 0.00 0.00 179.45 179.03 1ubr h ASP 450 N 0.53 0.81 -0.31 0.86 3.45 -0.38 -1.23 116.42 120.16 1ubr h ASP 450 Ca 0.38 -0.12 -0.14 0.00 0.43 0.00 0.00 57.03 57.58 1ubr h ASP 450 Cb 0.48 -0.21 -0.00 0.00 -0.56 0.00 0.00 39.33 39.04 1ubr h ASP 450 CO -0.33 0.74 -0.37 -1.13 -1.57 0.00 0.00 179.24 176.59 1ubr h ASN 451 N 0.87 0.85 -0.87 6.45 -0.00 0.03 -2.11 115.58 120.81 1ubr h ASN 451 Ca 0.20 -0.49 0.03 0.00 -0.00 0.00 0.00 56.30 56.04 1ubr h ASN 451 Cb 0.20 -0.24 -0.05 0.00 -0.00 0.00 0.00 38.32 38.23 1ubr h ASN 451 CO -0.02 1.17 0.57 0.40 -0.00 0.00 0.00 177.43 179.55 1ubr h ILE 452 N 0.55 1.17 0.00 2.57 2.04 -0.93 -2.09 117.51 120.83 1ubr h ILE 452 Ca 0.04 -0.38 -0.03 0.00 1.00 0.00 0.00 64.86 65.49 1ubr h ILE 452 Cb 0.95 -0.04 -0.00 0.00 -0.74 0.00 0.00 36.82 36.99 1ubr h ILE 452 CO 0.09 0.20 -0.13 0.00 0.00 0.00 0.00 178.15 178.31 1ubr h ALA 453 N 1.48 1.10 0.00 1.87 0.00 -0.65 0.11 119.26 123.17 1ubr h ALA 453 Ca 0.34 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1ubr h ALA 453 Cb -0.02 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1ubr h ALA 453 CO -0.09 0.17 0.00 1.63 0.00 0.00 0.00 179.25 180.95 1ubr n LYS 454 N -3.40 0.40 -0.14 0.00 5.02 -0.79 -4.88 118.16 114.38 1ubr n LYS 454 Ca -0.01 0.05 0.00 0.00 -2.02 0.00 0.00 58.31 56.33 1ubr n LYS 454 Cb 0.32 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.83 1ubr n LYS 454 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1ubr n GLY 455 N 0.77 0.93 3.49 0.72 0.00 0.36 -5.05 105.19 106.41 1ubr n GLY 455 Ca 0.13 -0.04 -0.43 0.00 0.00 0.00 0.00 46.02 45.68 1ubr n GLY 455 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1ubr s ASP 456 N -2.03 6.28 -0.16 1.61 2.15 -1.16 -4.86 116.67 118.49 1ubr s ASP 456 Ca 0.00 -0.61 0.17 0.00 0.43 0.00 0.00 52.55 52.54 1ubr s ASP 456 Cb 0.00 -2.41 0.48 0.00 -0.30 0.00 0.00 42.92 40.69 1ubr s ASP 456 CO 0.00 -1.24 1.37 -0.46 -0.17 0.00 0.00 175.17 174.67 1ubr n ASN 457 N 7.34 3.58 -4.78 -0.34 2.04 -1.26 -4.25 115.26 117.60 1ubr n ASN 457 Ca -0.01 -2.99 -0.39 0.00 -0.44 0.00 0.00 54.58 50.76 1ubr n ASN 457 Cb 0.47 -0.51 -0.06 0.00 -2.53 0.00 0.00 39.78 37.15 1ubr n ASN 457 CO 0.00 0.00 0.00 -0.69 -0.44 0.00 0.00 177.26 176.13 1ubr s VAL 458 N -2.76 4.92 0.00 3.53 1.01 -1.26 -4.96 120.40 120.88 1ubr s VAL 458 Ca 0.40 1.15 0.00 0.00 0.00 0.00 0.00 61.98 63.52 1ubr s VAL 458 Cb 0.32 -3.88 0.00 0.00 0.00 0.00 0.00 36.38 32.82 1ubr s VAL 458 CO 0.08 0.46 0.00 2.30 0.00 0.00 0.00 175.10 177.94 1ubr n ILE 459 N 2.50 0.00 -3.87 2.22 -5.35 -1.26 -4.17 119.36 109.42 1ubr n ILE 459 Ca -0.09 -0.22 -0.12 0.00 -0.27 0.00 0.00 62.75 62.06 1ubr n ILE 459 Cb 0.51 0.94 -0.13 0.00 -1.74 0.00 0.00 39.64 39.22 1ubr n ILE 459 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1ubr s ALA 461 N -0.22 2.96 0.62 0.00 0.00 -0.25 -4.91 121.76 119.96 1ubr s ALA 461 Ca -0.03 -1.21 -0.14 0.00 0.00 0.00 0.00 51.96 50.58 1ubr s ALA 461 Cb -0.02 -0.92 -0.03 0.00 0.00 0.00 0.00 23.12 22.15 1ubr s ALA 461 CO -0.00 0.64 1.04 -1.25 0.00 0.00 0.00 175.76 176.19 1ubr s PRO 462 N -2.10 3.34 0.22 0.00 0.04 -1.26 -4.57 135.00 130.68 1ubr s PRO 462 Ca 0.21 1.02 -0.18 0.00 0.04 0.00 0.00 61.00 62.09 1ubr s PRO 462 Cb -0.11 -2.04 0.02 0.00 0.04 0.00 0.00 34.50 32.41 1ubr s PRO 462 CO 0.13 -0.78 0.58 1.67 0.04 0.00 0.00 177.00 178.64 1ubr s TRP 463 N -2.77 -0.10 -0.01 0.56 1.48 -1.26 -4.94 118.94 111.89 1ubr s TRP 463 Ca 0.60 -0.27 0.04 0.00 -1.06 0.00 0.00 56.10 55.41 1ubr s TRP 463 Cb -0.14 0.47 -0.01 0.00 -1.16 0.00 0.00 33.47 32.63 1ubr s TRP 463 CO 0.44 -1.01 -0.13 -1.21 -4.06 0.00 0.00 176.95 170.97 1ubr s GLU 464 N -3.90 1.07 -0.12 3.25 2.02 -1.26 -5.12 118.70 114.64 1ubr s GLU 464 Ca 0.11 -0.48 -0.29 0.00 0.02 0.00 0.00 54.97 54.32 1ubr s GLU 464 Cb -0.02 -1.03 -0.02 0.00 0.10 0.00 0.00 34.13 33.16 1ubr s GLU 464 CO 0.01 0.28 1.13 1.41 0.02 0.00 0.00 175.26 178.11 1ubr s MET 465 N -0.34 4.33 0.56 1.61 -2.45 -1.26 -4.86 119.30 116.89 1ubr s MET 465 Ca 0.05 1.54 -0.15 0.00 -1.25 0.00 0.00 55.69 55.88 1ubr s MET 465 Cb -0.05 -3.61 -0.06 0.00 1.25 0.00 0.00 34.83 32.36 1ubr s MET 465 CO -0.00 -0.50 1.01 -1.25 1.05 0.00 0.00 175.02 175.33 1ubr s PRO 466 N 2.60 3.69 0.17 4.11 0.04 -1.26 -4.96 135.00 139.39 1ubr s PRO 466 Ca 0.51 0.98 0.03 0.00 0.04 0.00 0.00 61.00 62.56 1ubr s PRO 466 Cb -0.21 -2.09 0.00 0.00 0.04 0.00 0.00 34.50 32.24 1ubr s PRO 466 CO 0.16 -0.49 1.38 0.87 0.04 0.00 0.00 177.00 178.96 1ubr h LYS 467 N 0.50 0.18 -4.11 4.56 1.79 -1.93 -3.36 116.57 114.20 1ubr h LYS 467 Ca -0.46 -0.20 -0.41 0.00 -2.18 0.00 0.00 60.65 57.40 1ubr h LYS 467 Cb 1.19 0.06 -0.33 0.00 -1.58 0.00 0.00 32.23 31.57 1ubr h LYS 467 CO 0.60 0.94 -0.77 -1.14 -1.08 0.00 0.00 179.45 178.00 1ubr s GLN 468 N -3.21 0.84 0.00 3.15 0.74 -1.26 -0.16 119.66 119.76 1ubr s GLN 468 Ca -0.03 -0.14 -0.29 0.00 0.05 0.00 0.00 55.36 54.95 1ubr s GLN 468 Cb 0.10 -0.82 0.10 0.00 1.10 0.00 0.00 33.01 33.49 1ubr s GLN 468 CO 0.82 -0.04 0.93 0.00 -0.55 0.00 0.00 175.29 176.46 1ubr s ALA 469 N 0.75 -1.83 0.05 1.58 0.00 -0.75 -4.97 121.76 116.59 1ubr s ALA 469 Ca -0.10 0.93 0.08 0.00 0.00 0.00 0.00 51.96 52.87 1ubr s ALA 469 Cb -0.13 0.40 -0.03 0.00 0.00 0.00 0.00 23.12 23.36 1ubr s ALA 469 CO 0.00 -0.74 -0.22 -1.83 0.00 0.00 0.00 175.76 172.97 1ubr s GLU 470 N -3.07 1.50 0.07 0.00 -1.05 -1.26 -0.04 118.70 114.85 1ubr s GLU 470 Ca 0.07 -1.00 -0.07 0.00 -0.15 0.00 0.00 54.97 53.81 1ubr s GLU 470 Cb -0.01 -1.64 -0.01 0.00 -0.44 0.00 0.00 34.13 32.03 1ubr s GLU 470 CO -0.07 0.42 0.15 0.20 0.95 0.00 0.00 175.26 176.91 1ubr s GLY 471 N -1.23 0.15 -0.01 -3.83 0.00 -0.47 -4.38 107.32 97.55 1ubr s GLY 471 Ca 0.09 -0.66 -0.04 0.00 0.00 0.00 0.00 44.72 44.11 1ubr s GLY 471 CO 0.02 -0.83 0.08 0.54 0.00 0.00 0.00 173.10 172.91 1ubr s VAL 472 N -3.62 0.06 -0.03 1.40 0.11 -1.26 -0.81 120.40 116.24 1ubr s VAL 472 Ca 0.03 -0.47 0.04 0.00 -2.93 0.00 0.00 61.98 58.65 1ubr s VAL 472 Cb 0.04 -0.28 -0.00 0.00 -1.53 0.00 0.00 36.38 34.61 1ubr s VAL 472 CO -0.10 -0.26 -0.14 -0.83 -3.33 0.00 0.00 175.10 170.44 1ubr s GLY 473 N -0.84 0.77 -0.10 6.54 0.00 -0.19 -4.25 107.32 109.25 1ubr s GLY 473 Ca -0.09 -0.56 0.03 0.00 0.00 0.00 0.00 44.72 44.10 1ubr s GLY 473 CO 0.00 -0.27 -0.22 -1.36 0.00 0.00 0.00 173.10 171.26 1ubr s PHE 474 N 0.07 2.60 -0.04 1.90 0.40 -1.26 -1.56 117.98 120.09 1ubr s PHE 474 Ca -0.03 -0.95 0.02 0.00 -0.60 0.00 0.00 56.93 55.38 1ubr s PHE 474 Cb -0.10 -1.73 0.01 0.00 0.51 0.00 0.00 43.02 41.71 1ubr s PHE 474 CO 0.01 -0.36 -0.10 0.08 0.70 0.00 0.00 175.22 175.55 1ubr s VAL 475 N 0.30 0.91 -0.52 -0.44 1.01 -0.17 -4.96 120.40 116.54 1ubr s VAL 475 Ca -0.16 -0.40 -0.18 0.00 0.00 0.00 0.00 61.98 61.23 1ubr s VAL 475 Cb -0.17 -0.83 0.07 0.00 0.00 0.00 0.00 36.38 35.46 1ubr s VAL 475 CO 0.08 0.29 0.59 0.21 0.00 0.00 0.00 175.10 176.27 1ubr s ASN 476 N 0.38 6.20 0.74 3.32 3.84 -1.23 0.23 114.94 128.42 1ubr s ASN 476 Ca -0.07 -1.15 -0.07 0.00 0.21 0.00 0.00 52.86 51.78 1ubr s ASN 476 Cb -0.11 -2.27 0.09 0.00 -0.55 0.00 0.00 41.25 38.40 1ubr s ASN 476 CO 0.01 -0.89 1.06 0.00 -2.79 0.00 0.00 177.10 174.49 1ubr s ALA 477 N 2.41 3.09 0.64 1.71 0.00 0.58 -4.87 121.76 125.33 1ubr s ALA 477 Ca 0.12 -1.06 0.32 0.00 0.00 0.00 0.00 51.96 51.33 1ubr s ALA 477 Cb -0.22 -2.55 1.73 0.00 0.00 0.00 0.00 23.12 22.07 1ubr s ALA 477 CO 0.09 -1.48 2.01 -1.35 0.00 0.00 0.00 175.76 175.04 1ubr h PRO 478 N -0.74 0.00 -0.02 0.00 0.11 -1.96 -0.93 132.00 128.47 1ubr h PRO 478 Ca -0.43 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.68 1ubr h PRO 478 Cb 1.30 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.41 1ubr h PRO 478 CO 0.55 0.00 -0.15 0.54 -0.21 0.00 0.00 178.00 178.73 1ubr n ARG 479 N -3.20 1.62 0.00 1.05 1.74 -1.26 -4.25 116.66 112.35 1ubr n ARG 479 Ca 0.00 -1.33 0.00 0.00 -0.77 0.00 0.00 57.85 55.75 1ubr n ARG 479 Cb 0.37 -1.36 0.00 0.00 -1.02 0.00 0.00 32.46 30.46 1ubr n ARG 479 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1ubr n GLY 480 N 1.14 0.49 3.64 -0.13 0.00 -0.35 -2.47 105.19 107.51 1ubr n GLY 480 Ca 0.10 -1.92 -0.43 0.00 0.00 0.00 0.00 46.02 43.77 1ubr n GLY 480 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ubr s GLY 481 N 0.00 1.47 -0.15 -0.02 0.00 -1.26 -0.31 107.32 107.05 1ubr s GLY 481 Ca 0.00 0.07 -0.05 0.00 0.00 0.00 0.00 44.72 44.75 1ubr s GLY 481 CO 0.00 2.46 0.01 -2.27 0.00 0.00 0.00 173.10 173.30 1ubr s LEU 482 N 4.03 3.52 -0.00 0.66 2.96 0.14 -3.41 118.68 126.57 1ubr s LEU 482 Ca 0.52 0.01 0.01 0.00 -0.22 0.00 0.00 54.13 54.44 1ubr s LEU 482 Cb -0.15 -1.85 0.00 0.00 0.50 0.00 0.00 46.19 44.68 1ubr s LEU 482 CO 0.20 0.22 -0.02 -0.94 -1.32 0.00 0.00 176.35 174.48 1ubr s SER 483 N 0.08 0.31 -0.06 3.68 1.04 -0.56 -0.99 113.70 117.20 1ubr s SER 483 Ca 0.02 -0.04 0.04 0.00 0.48 0.00 0.00 55.95 56.44 1ubr s SER 483 Cb -0.13 -0.05 -0.02 0.00 0.10 0.00 0.00 66.02 65.92 1ubr s SER 483 CO 0.02 0.02 -0.17 -1.00 0.98 0.00 0.00 173.24 173.09 1ubr s HIS 484 N 0.05 2.64 -0.08 5.02 3.76 -0.60 -1.14 115.29 124.94 1ubr s HIS 484 Ca -0.00 -0.36 0.01 0.00 -0.15 0.00 0.00 55.06 54.55 1ubr s HIS 484 Cb -0.02 -1.65 0.02 0.00 1.11 0.00 0.00 32.58 32.04 1ubr s HIS 484 CO -0.00 0.03 -0.09 -1.58 -0.85 0.00 0.00 174.74 172.25 1ubr s TRP 485 N -0.43 1.31 0.02 1.40 0.52 0.20 -1.02 118.94 120.94 1ubr s TRP 485 Ca 0.05 -0.55 0.08 0.00 0.02 0.00 0.00 56.10 55.70 1ubr s TRP 485 Cb -0.12 -1.06 -0.02 0.00 -1.15 0.00 0.00 33.47 31.12 1ubr s TRP 485 CO 0.02 -0.36 -0.23 -1.50 0.02 0.00 0.00 176.95 174.90 1ubr s ILE 486 N 1.19 1.81 -0.26 2.03 2.07 0.01 -0.52 121.20 127.53 1ubr s ILE 486 Ca -0.05 -1.15 -0.03 0.00 -1.41 0.00 0.00 60.65 58.00 1ubr s ILE 486 Cb -0.14 -1.54 0.02 0.00 0.13 0.00 0.00 42.46 40.93 1ubr s ILE 486 CO -0.02 0.35 -0.02 -0.60 -1.91 0.00 0.00 174.94 172.74 1ubr s ARG 487 N -0.95 2.96 -0.16 3.50 3.52 -0.13 -1.37 118.95 126.32 1ubr s ARG 487 Ca 0.09 -0.91 -0.15 0.00 -0.13 0.00 0.00 55.73 54.63 1ubr s ARG 487 Cb -0.09 -3.10 -0.04 0.00 -1.56 0.00 0.00 34.95 30.16 1ubr s ARG 487 CO 0.01 -0.39 0.33 0.42 -0.81 0.00 0.00 175.30 174.86 1ubr s ILE 488 N 1.39 5.27 -0.06 4.11 1.01 0.94 -0.18 121.20 133.68 1ubr s ILE 488 Ca 0.01 0.62 0.01 0.00 0.00 0.00 0.00 60.65 61.30 1ubr s ILE 488 Cb -0.17 -3.67 0.02 0.00 0.01 0.00 0.00 42.46 38.65 1ubr s ILE 488 CO -0.02 0.35 -0.06 -0.70 0.00 0.00 0.00 174.94 174.51 1ubr s GLU 489 N 0.66 1.05 -1.38 2.79 2.56 -0.33 -1.80 118.70 122.26 1ubr s GLU 489 Ca 0.18 -0.16 -0.05 0.00 0.00 0.00 0.00 54.97 54.94 1ubr s GLU 489 Cb -0.14 -1.05 0.03 0.00 2.00 0.00 0.00 34.13 34.98 1ubr s GLU 489 CO 0.05 -0.11 0.41 -3.47 -0.56 0.00 0.00 175.26 171.59 1ubr n ASP 490 N 4.23 -4.77 0.00 -1.70 4.64 0.19 -1.01 116.55 118.13 1ubr n ASP 490 Ca -0.21 -0.22 0.00 0.00 -1.38 0.00 0.00 54.79 52.98 1ubr n ASP 490 Cb 0.51 -3.92 0.00 0.00 -1.04 0.00 0.00 41.12 36.67 1ubr n ASP 490 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 1ubr n GLY 491 N -1.22 0.46 3.67 0.27 0.00 0.77 -4.97 105.19 104.17 1ubr n GLY 491 Ca -0.09 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.66 1ubr n GLY 491 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ubr s LYS 492 N -0.56 2.07 -0.40 1.61 -0.14 -0.18 -4.47 119.74 117.68 1ubr s LYS 492 Ca 0.00 -2.03 -0.29 0.00 -1.36 0.00 0.00 55.97 52.30 1ubr s LYS 492 Cb 0.00 -1.77 0.01 0.00 -1.68 0.00 0.00 37.83 34.39 1ubr s LYS 492 CO 0.00 -0.10 1.47 0.42 -0.76 0.00 0.00 175.35 176.38 1ubr s ILE 493 N -2.68 3.84 -0.04 2.17 1.01 0.08 -1.18 121.20 124.40 1ubr s ILE 493 Ca 0.36 0.85 -0.18 0.00 0.00 0.00 0.00 60.65 61.69 1ubr s ILE 493 Cb 0.07 -4.11 -0.32 0.00 0.01 0.00 0.00 42.46 38.11 1ubr s ILE 493 CO 0.19 -0.70 0.83 1.23 0.00 0.00 0.00 174.94 176.49 1ubr h GLY 494 N 12.40 0.43 -5.33 6.18 0.00 -0.84 0.12 103.07 116.03 1ubr h GLY 494 Ca -0.29 -1.09 -0.17 0.00 0.00 0.00 0.00 47.33 45.78 1ubr h GLY 494 CO 1.08 0.95 -0.49 0.21 0.00 0.00 0.00 176.54 178.29 1ubr s ASN 495 N -7.20 -0.18 -0.05 0.19 3.84 -0.95 -4.81 114.94 105.76 1ubr s ASN 495 Ca -0.14 0.34 -0.02 0.00 0.21 0.00 0.00 52.86 53.25 1ubr s ASN 495 Cb 0.03 0.38 0.03 0.00 -0.55 0.00 0.00 41.25 41.14 1ubr s ASN 495 CO 0.85 -0.10 0.03 0.12 -2.79 0.00 0.00 177.10 175.22 1ubr s PHE 496 N -0.04 0.33 -0.07 0.43 2.19 -1.26 -0.96 117.98 118.60 1ubr s PHE 496 Ca -0.01 0.07 0.04 0.00 0.33 0.00 0.00 56.93 57.35 1ubr s PHE 496 Cb -0.02 -0.61 0.00 0.00 -1.31 0.00 0.00 43.02 41.08 1ubr s PHE 496 CO 0.00 -0.25 -0.18 -0.65 1.83 0.00 0.00 175.22 175.98 1ubr s GLN 497 N 2.03 2.10 -0.18 10.12 -1.52 0.32 -4.71 119.66 127.84 1ubr s GLN 497 Ca 0.04 -0.62 -0.08 0.00 -1.95 0.00 0.00 55.36 52.75 1ubr s GLN 497 Cb -0.12 -1.71 -0.04 0.00 -0.22 0.00 0.00 33.01 30.91 1ubr s GLN 497 CO -0.04 0.16 0.09 -0.51 -0.25 0.00 0.00 175.29 174.74 1ubr s LEU 498 N 0.32 4.00 -0.22 2.90 1.43 -1.26 -0.63 118.68 125.22 1ubr s LEU 498 Ca -0.11 0.18 0.01 0.00 -1.03 0.00 0.00 54.13 53.17 1ubr s LEU 498 Cb -0.15 -2.01 0.05 0.00 0.03 0.00 0.00 46.19 44.11 1ubr s LEU 498 CO 0.04 0.21 -0.09 -0.69 0.23 0.00 0.00 176.35 176.06 1ubr s VAL 499 N 0.16 1.65 0.17 -1.59 1.01 -0.29 -5.03 120.40 116.48 1ubr s VAL 499 Ca 0.06 -1.14 0.09 0.00 0.00 0.00 0.00 61.98 60.99 1ubr s VAL 499 Cb -0.12 -1.80 -0.04 0.00 0.00 0.00 0.00 36.38 34.42 1ubr s VAL 499 CO -0.00 0.05 -0.13 -0.69 0.00 0.00 0.00 175.10 174.33 1ubr s VAL 500 N 1.37 3.03 0.21 2.92 1.01 -1.26 -1.49 120.40 126.18 1ubr s VAL 500 Ca -0.04 -1.67 -0.09 0.00 0.00 0.00 0.00 61.98 60.18 1ubr s VAL 500 Cb -0.18 -2.47 0.16 0.00 0.00 0.00 0.00 36.38 33.90 1ubr s VAL 500 CO -0.07 -0.07 1.71 -0.65 0.00 0.00 0.00 175.10 176.02 1ubr h PRO 501 N 3.12 0.28 0.00 2.72 0.10 -1.83 0.91 132.00 137.30 1ubr h PRO 501 Ca -0.47 -0.02 -0.02 0.00 0.10 0.00 0.00 66.00 65.59 1ubr h PRO 501 Cb 1.20 -0.06 -0.00 0.00 0.10 0.00 0.00 31.00 32.23 1ubr h PRO 501 CO 0.52 0.19 -0.08 0.77 0.10 0.00 0.00 178.00 179.50 1ubr h SER 502 N 0.29 0.00 -0.28 -2.05 0.02 -1.84 -1.62 113.55 108.06 1ubr h SER 502 Ca 0.32 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 61.25 1ubr h SER 502 Cb 0.47 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.00 1ubr h SER 502 CO -0.39 0.08 0.09 0.74 -1.14 0.00 0.00 176.83 176.21 1ubr h THR 503 N 0.00 1.19 -0.09 -2.27 2.02 -1.03 0.12 112.91 112.85 1ubr h THR 503 Ca -0.00 -0.61 0.04 0.00 0.77 0.00 0.00 66.41 66.61 1ubr h THR 503 Cb 0.37 1.07 -0.05 0.00 -1.74 0.00 0.00 68.15 67.80 1ubr h THR 503 CO 0.01 0.21 -0.22 -0.50 0.37 0.00 0.00 175.52 175.39 1ubr h TRP 504 N 0.30 -0.58 0.15 3.16 4.06 -1.13 -0.73 115.95 121.18 1ubr h TRP 504 Ca 0.09 0.03 -0.29 0.00 2.06 0.00 0.00 58.89 60.77 1ubr h TRP 504 Cb 0.23 0.27 0.01 0.00 -1.00 0.00 0.00 29.16 28.67 1ubr h TRP 504 CO 0.00 -0.30 -1.35 1.15 -3.56 0.00 0.00 178.44 174.38 1ubr h THR 505 N -0.30 1.39 -0.00 1.49 2.02 -1.28 -3.38 112.91 112.85 1ubr h THR 505 Ca 0.09 -2.94 0.00 0.00 0.77 0.00 0.00 66.41 64.33 1ubr h THR 505 Cb 0.43 2.93 0.00 0.00 -1.74 0.00 0.00 68.15 69.77 1ubr h THR 505 CO -0.26 0.86 0.00 0.18 0.37 0.00 0.00 175.52 176.67 1ubr n LEU 506 N -3.56 1.30 -4.50 2.58 7.99 0.40 -1.53 117.00 119.68 1ubr n LEU 506 Ca -0.12 -1.00 -0.28 0.00 -0.01 0.00 0.00 56.01 54.60 1ubr n LEU 506 Cb 1.05 -0.00 0.25 0.00 -0.11 0.00 0.00 43.42 44.60 1ubr n LEU 506 CO 0.55 0.29 0.53 -0.83 -1.51 0.00 0.00 177.39 176.41 1ubr s GLY 507 N -0.30 1.54 0.00 -0.72 0.00 -0.28 -4.81 107.32 102.74 1ubr s GLY 507 Ca 0.04 -0.22 0.00 0.00 0.00 0.00 0.00 44.72 44.54 1ubr s GLY 507 CO 0.05 0.51 0.00 -1.55 0.00 0.00 0.00 173.10 172.10 1ubr n PRO 508 N -4.87 0.36 -1.24 2.90 -0.04 -1.26 -4.51 135.00 126.33 1ubr n PRO 508 Ca 0.03 0.00 -0.33 0.00 -0.04 0.00 0.00 63.50 63.16 1ubr n PRO 508 Cb 0.55 0.00 0.11 0.00 -0.04 0.00 0.00 33.50 34.12 1ubr n PRO 508 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1ubr s ARG 509 N -2.06 1.92 0.24 0.54 0.52 -1.26 -4.33 118.95 114.53 1ubr s ARG 509 Ca 0.00 1.57 0.04 0.00 -0.52 0.00 0.00 55.73 56.82 1ubr s ARG 509 Cb 0.00 -1.83 0.04 0.00 0.52 0.00 0.00 34.95 33.68 1ubr s ARG 509 CO 0.00 -1.96 0.33 0.00 0.02 0.00 0.00 175.30 173.69 1ubr n ASP 511 N -2.71 0.00 -1.07 0.00 3.85 -1.26 -0.89 116.55 114.47 1ubr n ASP 511 Ca 0.07 -0.91 0.10 0.00 -0.71 0.00 0.00 54.79 53.34 1ubr n ASP 511 Cb 0.25 0.00 0.22 0.00 -1.35 0.00 0.00 41.12 40.24 1ubr n ASP 511 CO 0.00 0.00 0.00 0.29 -1.01 0.00 0.00 177.20 176.48 1ubr n LYS 512 N -0.89 2.46 -1.94 0.11 5.02 -1.26 -4.96 118.16 116.70 1ubr n LYS 512 Ca 0.14 -2.26 -0.15 0.00 -2.02 0.00 0.00 58.31 54.02 1ubr n LYS 512 Cb 0.06 -1.47 -0.03 0.00 -0.02 0.00 0.00 35.03 33.58 1ubr n LYS 512 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1ubr n ASN 513 N 1.32 -4.70 -4.71 4.39 5.03 -0.07 -4.97 115.26 111.55 1ubr n ASN 513 Ca 0.18 0.15 -0.42 0.00 0.87 0.00 0.00 54.58 55.36 1ubr n ASN 513 Cb 0.56 -3.72 -0.03 0.00 -1.02 0.00 0.00 39.78 35.57 1ubr n ASN 513 CO 0.00 0.00 0.00 -0.54 -1.83 0.00 0.00 177.26 174.89 1ubr s LYS 514 N -4.16 4.50 0.36 3.52 1.02 -1.26 -4.82 119.74 118.90 1ubr s LYS 514 Ca 0.00 1.54 -0.28 0.00 0.02 0.00 0.00 55.97 57.25 1ubr s LYS 514 Cb 0.00 -3.44 -0.11 0.00 -0.52 0.00 0.00 37.83 33.76 1ubr s LYS 514 CO 0.00 -0.16 1.44 -0.51 -0.92 0.00 0.00 175.35 175.20 1ubr s LEU 515 N 1.20 4.35 0.95 3.17 1.02 -1.26 -3.44 118.68 124.67 1ubr s LEU 515 Ca 0.54 2.95 -0.12 0.00 0.02 0.00 0.00 54.13 57.52 1ubr s LEU 515 Cb -0.24 -3.66 0.16 0.00 0.02 0.00 0.00 46.19 42.47 1ubr s LEU 515 CO 0.27 -0.78 1.09 -0.94 0.02 0.00 0.00 176.35 176.01 1ubr s SER 516 N -0.23 3.00 0.20 2.29 1.04 -1.26 -4.65 113.70 114.09 1ubr s SER 516 Ca 0.52 1.32 -0.11 0.00 0.48 0.00 0.00 55.95 58.15 1ubr s SER 516 Cb -0.45 -1.99 0.23 0.00 0.10 0.00 0.00 66.02 63.92 1ubr s SER 516 CO 0.60 -2.91 1.72 -0.65 0.98 0.00 0.00 173.24 172.97 1ubr h PRO 517 N -1.74 0.26 -0.63 4.02 0.11 -1.78 0.43 132.00 132.66 1ubr h PRO 517 Ca -0.52 -0.02 -0.09 0.00 0.11 0.00 0.00 66.00 65.48 1ubr h PRO 517 Cb 1.31 -0.06 -0.02 0.00 0.11 0.00 0.00 31.00 32.34 1ubr h PRO 517 CO 0.56 0.17 0.05 -0.24 -0.21 0.00 0.00 178.00 178.33 1ubr h VAL 518 N 0.26 1.26 0.13 3.15 3.04 -1.63 -0.17 116.25 122.30 1ubr h VAL 518 Ca 0.28 -1.10 -0.01 0.00 -1.01 0.00 0.00 66.70 64.86 1ubr h VAL 518 Cb 0.38 0.73 0.00 0.00 -2.01 0.00 0.00 31.29 30.39 1ubr h VAL 518 CO -0.35 0.41 -0.06 -0.33 -1.01 0.00 0.00 177.57 176.23 1ubr h GLU 519 N 0.99 -0.16 -0.86 4.17 5.08 -1.64 -2.70 114.58 119.46 1ubr h GLU 519 Ca 0.19 0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.56 1ubr h GLU 519 Cb 0.51 0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.75 1ubr h GLU 519 CO 0.02 0.03 0.57 0.00 -1.00 0.00 0.00 179.01 178.63 1ubr h ALA 520 N 0.51 1.38 0.00 3.43 0.00 -0.83 -2.55 119.26 121.21 1ubr h ALA 520 Ca -0.02 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 1ubr h ALA 520 Cb 0.27 -0.35 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 1ubr h ALA 520 CO 0.03 0.57 -0.09 0.66 0.00 0.00 0.00 179.25 180.42 1ubr h SER 521 N 1.17 0.00 1.84 0.00 4.64 -0.76 -2.53 113.55 117.91 1ubr h SER 521 Ca 0.32 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.61 1ubr h SER 521 Cb -0.13 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 61.95 1ubr h SER 521 CO -0.07 0.09 -0.12 -0.07 -0.87 0.00 0.00 176.83 175.80 1ubr h LEU 522 N 0.00 0.00 -9.64 5.97 4.07 -1.14 -3.16 115.31 111.41 1ubr h LEU 522 Ca -0.00 0.00 -0.52 0.00 0.08 0.00 0.00 57.88 57.43 1ubr h LEU 522 Cb 0.48 0.00 0.05 0.00 1.08 0.00 0.00 40.66 42.27 1ubr h LEU 522 CO 0.01 0.12 0.89 -0.63 -1.08 0.00 0.00 178.44 177.75 1ubr s ILE 523 N -3.17 2.50 0.00 1.22 -1.09 -0.95 -1.70 121.20 118.01 1ubr s ILE 523 Ca 0.06 0.37 0.00 0.00 -2.23 0.00 0.00 60.65 58.85 1ubr s ILE 523 Cb 0.06 -3.24 0.00 0.00 -1.58 0.00 0.00 42.46 37.70 1ubr s ILE 523 CO 0.68 0.03 0.00 0.61 -1.23 0.00 0.00 174.94 175.04 1ubr n GLY 524 N 3.54 0.64 3.71 6.18 0.00 0.72 -4.77 105.19 115.19 1ubr n GLY 524 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 1ubr n GLY 524 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ubr s THR 525 N -2.33 2.65 0.46 2.61 2.01 -0.69 -4.61 115.64 115.74 1ubr s THR 525 Ca 0.00 0.36 -0.21 0.00 0.31 0.00 0.00 61.69 62.14 1ubr s THR 525 Cb 0.00 -3.23 -0.09 0.00 0.01 0.00 0.00 72.50 69.20 1ubr s THR 525 CO 0.00 0.02 1.04 -2.16 -0.69 0.00 0.00 174.62 172.83 1ubr s PRO 526 N 1.75 3.91 -0.25 4.92 0.04 -1.26 -0.60 135.00 143.51 1ubr s PRO 526 Ca 0.73 1.42 -0.01 0.00 0.04 0.00 0.00 61.00 63.18 1ubr s PRO 526 Cb -0.44 -2.24 0.08 0.00 0.04 0.00 0.00 34.50 31.94 1ubr s PRO 526 CO 0.32 -0.34 0.04 0.54 0.04 0.00 0.00 177.00 177.60 1ubr s VAL 527 N -1.87 0.89 0.13 -0.36 0.11 0.10 -4.67 120.40 114.74 1ubr s VAL 527 Ca 0.64 -1.04 -0.12 0.00 -2.93 0.00 0.00 61.98 58.53 1ubr s VAL 527 Cb -0.18 -1.46 -0.07 0.00 -1.53 0.00 0.00 36.38 33.14 1ubr s VAL 527 CO 0.23 -0.37 1.43 0.00 -3.33 0.00 0.00 175.10 173.06 1ubr h ALA 528 N 8.12 0.50 -2.95 1.54 0.00 -1.92 -3.42 119.26 121.13 1ubr h ALA 528 Ca -0.15 -0.48 -0.49 0.00 0.00 0.00 0.00 54.91 53.79 1ubr h ALA 528 Cb 1.07 -0.10 -0.41 0.00 0.00 0.00 0.00 17.79 18.36 1ubr h ALA 528 CO 0.41 0.64 -0.76 0.34 0.00 0.00 0.00 179.25 179.88 1ubr s ASP 529 N -6.85 2.86 0.61 0.00 3.68 -1.26 -4.97 116.67 110.74 1ubr s ASP 529 Ca -0.11 -0.90 0.37 0.00 2.13 0.00 0.00 52.55 54.04 1ubr s ASP 529 Cb 0.10 -0.30 2.02 0.00 -1.45 0.00 0.00 42.92 43.30 1ubr s ASP 529 CO 0.88 -0.39 2.26 0.00 0.13 0.00 0.00 175.17 178.06 1ubr h ALA 530 N 8.41 1.20 0.00 3.66 0.00 -2.01 -0.30 119.26 130.23 1ubr h ALA 530 Ca -0.17 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1ubr h ALA 530 Cb 1.09 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.88 1ubr h ALA 530 CO 0.35 0.02 -0.08 0.87 0.00 0.00 0.00 179.25 180.41 1ubr h LYS 531 N 0.00 0.00 -2.06 0.00 1.57 -1.99 -3.36 116.57 110.73 1ubr h LYS 531 Ca -0.00 0.00 -0.56 0.00 -1.87 0.00 0.00 60.65 58.22 1ubr h LYS 531 Cb 0.09 0.00 -0.40 0.00 0.08 0.00 0.00 32.23 32.00 1ubr h LYS 531 CO 0.00 0.00 -0.99 0.54 -0.57 0.00 0.00 179.45 178.44 1ubr n ARG 532 N -2.61 1.26 -1.63 3.15 1.74 -0.13 -5.05 116.66 113.39 1ubr n ARG 532 Ca 0.05 -3.64 -0.40 0.00 -0.77 0.00 0.00 57.85 53.08 1ubr n ARG 532 Cb 0.48 -1.55 -0.01 0.00 -1.02 0.00 0.00 32.46 30.35 1ubr n ARG 532 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 1ubr n PRO 533 N 1.06 3.54 0.24 5.56 -0.04 -1.17 -4.64 135.00 139.54 1ubr n PRO 533 Ca 0.24 -2.62 0.07 0.00 -0.04 0.00 0.00 63.50 61.15 1ubr n PRO 533 Cb 0.51 -2.95 0.57 0.00 -0.04 0.00 0.00 33.50 31.60 1ubr n PRO 533 CO 0.00 0.00 0.00 -0.24 -0.04 0.00 0.00 175.50 175.22 1ubr h VAL 534 N 3.35 1.02 -0.30 0.52 3.04 -1.96 -2.00 116.25 119.92 1ubr h VAL 534 Ca 0.71 -0.45 -0.08 0.00 -1.01 0.00 0.00 66.70 65.87 1ubr h VAL 534 Cb 0.43 1.25 -0.02 0.00 -2.01 0.00 0.00 31.29 30.95 1ubr h VAL 534 CO 1.77 0.13 -0.15 -0.33 -1.01 0.00 0.00 177.57 177.98 1ubr h GLU 535 N 0.00 0.52 -0.64 4.17 3.07 -1.83 0.49 114.58 120.35 1ubr h GLU 535 Ca -0.00 -0.16 -0.05 0.00 -0.50 0.00 0.00 59.36 58.65 1ubr h GLU 535 Cb 0.24 -0.05 -0.03 0.00 -0.84 0.00 0.00 28.75 28.07 1ubr h GLU 535 CO 0.02 0.65 0.19 0.82 -1.40 0.00 0.00 179.01 179.29 1ubr h ILE 536 N 0.47 1.25 -0.48 3.13 2.04 -1.65 -2.74 117.51 119.53 1ubr h ILE 536 Ca 0.08 -0.87 -0.08 0.00 1.00 0.00 0.00 64.86 64.99 1ubr h ILE 536 Cb 0.54 0.60 -0.02 0.00 -0.74 0.00 0.00 36.82 37.19 1ubr h ILE 536 CO 0.03 0.33 -0.04 -0.07 0.00 0.00 0.00 178.15 178.41 1ubr h LEU 537 N 0.93 0.80 -0.45 1.44 4.07 -1.25 -1.12 115.31 119.72 1ubr h LEU 537 Ca 0.21 -0.21 0.04 0.00 0.08 0.00 0.00 57.88 57.99 1ubr h LEU 537 Cb 0.31 -0.21 -0.04 0.00 1.08 0.00 0.00 40.66 41.79 1ubr h LEU 537 CO -0.00 0.89 0.23 0.03 -1.08 0.00 0.00 178.44 178.50 1ubr h ARG 538 N 0.76 0.44 -0.13 1.13 3.08 -0.64 0.43 114.38 119.44 1ubr h ARG 538 Ca 0.14 -0.03 -0.09 0.00 0.07 0.00 0.00 59.98 60.07 1ubr h ARG 538 Cb 0.51 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.46 1ubr h ARG 538 CO 0.03 0.29 -0.27 1.15 -1.07 0.00 0.00 179.97 180.09 1ubr h THR 539 N 0.45 1.37 -0.25 2.04 2.02 -1.28 -1.90 112.91 115.36 1ubr h THR 539 Ca 0.20 -1.54 -0.00 0.00 0.77 0.00 0.00 66.41 65.83 1ubr h THR 539 Cb 0.11 2.04 -0.01 0.00 -1.74 0.00 0.00 68.15 68.55 1ubr h THR 539 CO -0.14 0.46 0.14 0.58 0.37 0.00 0.00 175.52 176.93 1ubr h VAL 540 N 0.01 1.11 0.00 3.16 2.07 -0.96 -1.79 116.25 119.85 1ubr h VAL 540 Ca 0.00 -0.27 -0.03 0.00 0.82 0.00 0.00 66.70 67.22 1ubr h VAL 540 Cb 0.87 0.84 -0.00 0.00 -1.52 0.00 0.00 31.29 31.47 1ubr h VAL 540 CO 0.06 0.10 -0.13 0.45 0.02 0.00 0.00 177.57 178.07 1ubr h HIS 541 N 0.30 0.00 0.00 1.57 -0.00 -0.17 -2.33 115.15 114.52 1ubr h HIS 541 Ca 0.09 0.00 -0.02 0.00 -0.00 0.00 0.00 60.37 60.44 1ubr h HIS 541 Cb 0.04 0.00 -0.00 0.00 -0.00 0.00 0.00 27.41 27.45 1ubr h HIS 541 CO -0.04 0.13 -0.08 0.66 -0.00 0.00 0.00 177.93 178.60 1ubr h SER 542 N 0.00 0.00 0.97 2.45 4.64 -0.47 0.21 113.55 121.35 1ubr h SER 542 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1ubr h SER 542 Cb 0.31 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.40 1ubr h SER 542 CO 0.02 0.08 -0.05 0.49 -0.87 0.00 0.00 176.83 176.49 1ubr n PHE 543 N -3.91 0.04 -3.30 4.77 3.72 -0.88 -4.60 117.46 113.30 1ubr n PHE 543 Ca -0.02 0.01 -0.17 0.00 -0.05 0.00 0.00 57.45 57.22 1ubr n PHE 543 Cb 0.17 -0.49 0.07 0.00 -0.94 0.00 0.00 39.48 38.29 1ubr n PHE 543 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 1ubr n ASP 544 N -1.53 -6.19 -4.76 4.37 4.64 0.06 -4.90 116.55 108.24 1ubr n ASP 544 Ca 0.07 -0.73 -0.38 0.00 -1.38 0.00 0.00 54.79 52.36 1ubr n ASP 544 Cb 0.34 -5.05 0.01 0.00 -1.04 0.00 0.00 41.12 35.39 1ubr n ASP 544 CO 0.00 0.00 0.00 -2.84 -0.82 0.00 0.00 177.20 173.54 1ubr s PRO 545 N -4.60 3.55 -0.24 -0.67 0.02 -1.26 -4.95 135.00 126.84 1ubr s PRO 545 Ca 0.43 2.09 -0.03 0.00 0.02 0.00 0.00 61.00 63.50 1ubr s PRO 545 Cb -0.06 -2.44 0.08 0.00 0.02 0.00 0.00 34.50 32.10 1ubr s PRO 545 CO 0.75 -0.82 0.09 0.00 -0.33 0.00 0.00 177.00 176.69 1ubr h ILE 547 N 6.46 0.84 -0.56 0.00 1.08 -1.24 -0.82 117.51 123.26 1ubr h ILE 547 Ca -0.17 -2.34 -0.04 0.00 -0.39 0.00 0.00 64.86 61.92 1ubr h ILE 547 Cb 1.07 2.33 -0.02 0.00 -3.07 0.00 0.00 36.82 37.13 1ubr h ILE 547 CO 0.39 0.48 0.20 0.00 -0.69 0.00 0.00 178.15 178.53 1ubr h ALA 548 N 1.36 0.73 0.22 1.87 0.00 -1.83 -1.42 119.26 120.19 1ubr h ALA 548 Ca -0.09 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1ubr h ALA 548 Cb 1.57 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 19.12 1ubr h ALA 548 CO 0.07 0.37 -0.20 0.00 0.00 0.00 0.00 179.25 179.49 1ubr h GLY 550 N -0.44 0.70 0.13 0.00 0.00 -0.87 -3.32 103.07 99.29 1ubr h GLY 550 Ca -0.00 -0.44 -0.38 0.00 0.00 0.00 0.00 47.33 46.50 1ubr h GLY 550 CO -0.04 0.41 -2.37 -0.62 0.00 0.00 0.00 176.54 173.92 1ubr n VAL 551 N -4.25 1.55 -0.09 4.60 0.31 -0.56 -4.40 118.33 115.49 1ubr n VAL 551 Ca 0.02 -0.60 0.00 0.00 -0.01 0.00 0.00 64.34 63.75 1ubr n VAL 551 Cb 0.27 -1.45 0.00 0.00 -0.91 0.00 0.00 33.84 31.75 1ubr n VAL 551 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51