#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ua2 n LYS 14 N 0.00 0.51 0.00 5.31 4.81 -1.26 -2.84 118.16 124.69 1ua2 n LYS 14 Ca 0.00 0.20 0.00 0.00 -0.87 0.00 0.00 58.31 57.64 1ua2 n LYS 14 Cb 0.00 -1.76 0.00 0.00 0.02 0.00 0.00 35.03 33.29 1ua2 n LYS 14 CO 0.00 0.00 0.00 -0.11 1.17 0.00 0.00 177.40 178.46 1ua2 n LEU 15 N 0.28 0.00 0.00 3.14 0.00 -0.67 -4.76 117.00 114.99 1ua2 n LEU 15 Ca 0.12 -0.20 0.00 0.00 0.00 0.00 0.00 56.01 55.93 1ua2 n LEU 15 Cb 0.48 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.90 1ua2 n LEU 15 CO 0.51 0.23 0.00 -0.67 0.00 0.00 0.00 177.39 177.46 1ua2 n ASP 16 N 0.00 0.00 -4.84 1.96 -0.08 -1.14 -4.80 116.55 107.65 1ua2 n ASP 16 Ca 0.00 0.00 -0.38 0.00 -1.51 0.00 0.00 54.79 52.90 1ua2 n ASP 16 Cb 0.43 0.00 -0.06 0.00 2.34 0.00 0.00 41.12 43.83 1ua2 n ASP 16 CO 0.00 0.00 0.00 0.12 0.12 0.00 0.00 177.20 177.44 1ua2 s PHE 17 N -1.28 3.66 -0.11 -0.67 5.36 -1.26 -0.29 117.98 123.39 1ua2 s PHE 17 Ca 0.00 0.82 0.05 0.00 -0.96 0.00 0.00 56.93 56.83 1ua2 s PHE 17 Cb 0.00 -2.20 -0.10 0.00 -0.34 0.00 0.00 43.02 40.39 1ua2 s PHE 17 CO 0.00 0.62 -0.04 1.28 -1.46 0.00 0.00 175.22 175.63 1ua2 n LEU 18 N 2.08 1.48 0.00 6.12 4.77 -0.37 -4.80 117.00 126.29 1ua2 n LEU 18 Ca -0.15 -0.03 0.00 0.00 -0.03 0.00 0.00 56.01 55.79 1ua2 n LEU 18 Cb 0.53 -0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.53 1ua2 n LEU 18 CO 0.36 0.47 0.00 0.61 -1.33 0.00 0.00 177.39 177.49 1ua2 n GLY 19 N 2.67 3.09 3.91 -0.72 0.00 -1.01 -5.01 105.19 108.12 1ua2 n GLY 19 Ca -0.18 -0.91 -0.28 0.00 0.00 0.00 0.00 46.02 44.64 1ua2 n GLY 19 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ua2 s GLU 20 N -2.02 3.59 0.00 1.61 0.41 -1.26 -1.29 118.70 119.74 1ua2 s GLU 20 Ca 0.00 -0.10 -0.04 0.00 -0.41 0.00 0.00 54.97 54.42 1ua2 s GLU 20 Cb 0.00 -2.70 -0.01 0.00 -1.78 0.00 0.00 34.13 29.65 1ua2 s GLU 20 CO 0.00 0.26 0.06 0.20 -0.49 0.00 0.00 175.26 175.29 1ua2 s GLY 21 N -3.22 0.10 0.00 -1.39 0.00 0.22 -4.94 107.32 98.09 1ua2 s GLY 21 Ca 0.42 -0.24 0.00 0.00 0.00 0.00 0.00 44.72 44.90 1ua2 s GLY 21 CO 0.30 -0.33 0.00 -1.06 0.00 0.00 0.00 173.10 172.01 1ua2 n GLN 22 N 1.81 0.00 -0.55 2.90 1.13 -1.26 -0.11 117.38 121.29 1ua2 n GLN 22 Ca -0.21 0.00 0.03 0.00 -1.94 0.00 0.00 57.00 54.87 1ua2 n GLN 22 Cb 0.56 0.00 0.04 0.00 0.11 0.00 0.00 30.24 30.95 1ua2 n GLN 22 CO 0.00 0.00 0.00 1.19 -1.44 0.00 0.00 177.06 176.81 1ua2 n PHE 23 N -2.87 0.00 -3.52 1.08 3.01 -1.26 -2.16 117.46 111.74 1ua2 n PHE 23 Ca 0.00 -0.31 -0.16 0.00 1.01 0.00 0.00 57.45 57.99 1ua2 n PHE 23 Cb 0.00 -0.09 -0.05 0.00 -0.01 0.00 0.00 39.48 39.33 1ua2 n PHE 23 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1ua2 s ALA 24 N -0.67 -1.77 0.08 4.37 0.00 0.84 -4.67 121.76 119.94 1ua2 s ALA 24 Ca 0.12 1.25 -0.14 0.00 0.00 0.00 0.00 51.96 53.19 1ua2 s ALA 24 Cb 0.12 0.02 -0.06 0.00 0.00 0.00 0.00 23.12 23.20 1ua2 s ALA 24 CO -0.02 -0.42 0.48 0.99 0.00 0.00 0.00 175.76 176.79 1ua2 s THR 25 N -1.53 4.94 -0.08 0.00 2.01 -0.79 0.70 115.64 120.89 1ua2 s THR 25 Ca -0.08 0.79 0.01 0.00 0.31 0.00 0.00 61.69 62.72 1ua2 s THR 25 Cb -0.00 -3.73 0.02 0.00 0.01 0.00 0.00 72.50 68.80 1ua2 s THR 25 CO 0.06 0.38 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.57 1ua2 s VAL 26 N -1.31 1.04 -0.09 3.82 1.01 -0.41 0.43 120.40 124.89 1ua2 s VAL 26 Ca 0.32 -0.39 -0.01 0.00 0.00 0.00 0.00 61.98 61.90 1ua2 s VAL 26 Cb -0.16 -0.99 0.03 0.00 0.00 0.00 0.00 36.38 35.26 1ua2 s VAL 26 CO 0.17 0.34 -0.04 -0.31 0.00 0.00 0.00 175.10 175.27 1ua2 s TYR 27 N 0.98 1.07 0.49 5.22 1.51 -0.26 -1.23 117.35 125.13 1ua2 s TYR 27 Ca -0.09 -0.45 -0.23 0.00 -1.01 0.00 0.00 57.07 55.30 1ua2 s TYR 27 Cb -0.15 -1.01 -0.06 0.00 -0.11 0.00 0.00 41.96 40.63 1ua2 s TYR 27 CO 0.00 -0.41 1.28 0.21 -1.11 0.00 0.00 175.55 175.52 1ua2 s LYS 28 N 1.79 3.52 -0.13 -0.62 2.20 0.60 -1.39 119.74 125.72 1ua2 s LYS 28 Ca 0.04 2.06 -0.30 0.00 -0.36 0.00 0.00 55.97 57.41 1ua2 s LYS 28 Cb -0.12 -2.41 0.12 0.00 -1.51 0.00 0.00 37.83 33.91 1ua2 s LYS 28 CO -0.06 -0.83 0.98 0.00 -0.36 0.00 0.00 175.35 175.08 1ua2 s ALA 29 N -1.38 -1.92 -0.42 3.13 0.00 0.76 -1.67 121.76 120.26 1ua2 s ALA 29 Ca 0.66 1.46 -0.12 0.00 0.00 0.00 0.00 51.96 53.96 1ua2 s ALA 29 Cb -0.36 -0.42 0.06 0.00 0.00 0.00 0.00 23.12 22.40 1ua2 s ALA 29 CO 0.43 -0.41 0.29 0.50 0.00 0.00 0.00 175.76 176.57 1ua2 s ARG 30 N -1.65 2.80 0.57 0.00 3.52 -1.13 0.67 118.95 123.73 1ua2 s ARG 30 Ca 0.00 -1.29 -0.19 0.00 -0.13 0.00 0.00 55.73 54.12 1ua2 s ARG 30 Cb -0.01 -3.89 -0.05 0.00 -1.56 0.00 0.00 34.95 29.44 1ua2 s ARG 30 CO -0.01 -0.90 1.16 0.34 -0.81 0.00 0.00 175.30 175.09 1ua2 s ASP 31 N 2.08 5.48 -0.25 -2.12 2.15 -0.26 -2.78 116.67 120.97 1ua2 s ASP 31 Ca 0.03 2.27 -0.19 0.00 0.43 0.00 0.00 52.55 55.09 1ua2 s ASP 31 Cb -0.22 -2.59 -0.09 0.00 -0.30 0.00 0.00 42.92 39.72 1ua2 s ASP 31 CO 0.05 -1.39 0.99 0.29 -0.17 0.00 0.00 175.17 174.95 1ua2 n LYS 32 N -1.45 0.00 0.00 4.34 5.02 -1.26 0.13 118.16 124.95 1ua2 n LYS 32 Ca 0.12 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.41 1ua2 n LYS 32 Cb 0.50 -0.67 0.00 0.00 -0.02 0.00 0.00 35.03 34.84 1ua2 n LYS 32 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 1ua2 n ASN 33 N 3.53 0.00 -4.45 4.39 0.23 -1.26 -4.88 115.26 112.81 1ua2 n ASN 33 Ca 0.25 0.00 -0.47 0.00 -0.53 0.00 0.00 54.58 53.83 1ua2 n ASN 33 Cb -0.01 0.00 -0.08 0.00 -2.08 0.00 0.00 39.78 37.60 1ua2 n ASN 33 CO 0.00 0.00 0.00 0.41 -0.93 0.00 0.00 177.26 176.74 1ua2 n THR 34 N 0.00 0.08 0.17 5.53 -1.04 0.35 -4.80 114.28 114.58 1ua2 n THR 34 Ca 0.00 -0.28 0.04 0.00 -2.04 0.00 0.00 64.05 61.78 1ua2 n THR 34 Cb 0.00 -1.50 0.24 0.00 -1.82 0.00 0.00 70.33 67.25 1ua2 n THR 34 CO 0.00 0.00 0.00 -0.55 -0.64 0.00 0.00 175.07 173.88 1ua2 h ASN 35 N 13.25 0.00 -2.08 8.00 -1.07 -1.90 -0.68 115.58 131.10 1ua2 h ASN 35 Ca -0.20 0.00 -0.62 0.00 0.07 0.00 0.00 56.30 55.55 1ua2 h ASN 35 Cb 1.32 0.00 0.12 0.00 -2.07 0.00 0.00 38.32 37.69 1ua2 h ASN 35 CO 1.13 0.44 -0.14 0.00 0.07 0.00 0.00 177.43 178.93 1ua2 n GLN 36 N -3.45 0.86 -3.13 4.14 1.13 -1.26 -4.92 117.38 110.74 1ua2 n GLN 36 Ca 0.00 0.30 -0.34 0.00 -1.94 0.00 0.00 57.00 55.03 1ua2 n GLN 36 Cb 0.59 -1.57 -0.06 0.00 0.11 0.00 0.00 30.24 29.31 1ua2 n GLN 36 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1ua2 s ILE 37 N -1.13 4.65 0.02 5.09 1.09 -1.26 -3.99 121.20 125.67 1ua2 s ILE 37 Ca 0.61 1.05 -0.17 0.00 -1.10 0.00 0.00 60.65 61.04 1ua2 s ILE 37 Cb -0.74 -3.70 0.03 0.00 -1.06 0.00 0.00 42.46 37.00 1ua2 s ILE 37 CO 0.59 -0.04 0.36 -0.69 -0.10 0.00 0.00 174.94 175.06 1ua2 s VAL 38 N -1.81 0.06 -0.12 2.92 1.01 0.21 -2.64 120.40 120.04 1ua2 s VAL 38 Ca 0.50 -0.50 0.03 0.00 0.00 0.00 0.00 61.98 62.00 1ua2 s VAL 38 Cb -0.12 -0.85 -0.00 0.00 0.00 0.00 0.00 36.38 35.41 1ua2 s VAL 38 CO 0.19 -0.28 -0.20 0.00 0.00 0.00 0.00 175.10 174.81 1ua2 s ALA 39 N -2.06 2.31 -0.07 5.51 0.00 0.18 -0.17 121.76 127.47 1ua2 s ALA 39 Ca -0.08 -0.97 -0.02 0.00 0.00 0.00 0.00 51.96 50.89 1ua2 s ALA 39 Cb -0.02 -0.96 -0.04 0.00 0.00 0.00 0.00 23.12 22.11 1ua2 s ALA 39 CO 0.00 0.22 0.04 0.42 0.00 0.00 0.00 175.76 176.44 1ua2 s ILE 40 N 0.43 4.54 -0.17 0.00 1.09 -0.48 -0.43 121.20 126.18 1ua2 s ILE 40 Ca -0.15 -0.25 0.01 0.00 -1.10 0.00 0.00 60.65 59.16 1ua2 s ILE 40 Cb -0.17 -2.97 0.01 0.00 -1.06 0.00 0.00 42.46 38.28 1ua2 s ILE 40 CO 0.06 0.53 -0.19 -0.54 -0.10 0.00 0.00 174.94 174.70 1ua2 s LYS 41 N -1.15 3.04 -0.19 2.79 1.02 0.76 -1.10 119.74 124.91 1ua2 s LYS 41 Ca 0.16 -0.82 -0.07 0.00 0.02 0.00 0.00 55.97 55.27 1ua2 s LYS 41 Cb -0.12 -2.55 -0.04 0.00 -0.52 0.00 0.00 37.83 34.61 1ua2 s LYS 41 CO 0.06 -0.12 0.04 0.15 -0.92 0.00 0.00 175.35 174.56 1ua2 s LYS 42 N 1.09 3.84 0.00 1.68 1.02 0.17 -0.54 119.74 127.00 1ua2 s LYS 42 Ca -0.00 -0.41 0.00 0.00 0.02 0.00 0.00 55.97 55.58 1ua2 s LYS 42 Cb -0.14 -3.17 0.00 0.00 -0.52 0.00 0.00 37.83 34.00 1ua2 s LYS 42 CO -0.07 0.17 0.00 -0.89 -0.92 0.00 0.00 175.35 173.64 1ua2 n ILE 43 N 3.82 0.00 0.00 2.17 -0.00 0.66 -1.89 119.36 124.12 1ua2 n ILE 43 Ca -0.17 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.58 1ua2 n ILE 43 Cb 0.52 0.00 0.00 0.00 -0.00 0.00 0.00 39.64 40.16 1ua2 n ILE 43 CO 0.00 0.00 0.00 0.59 -0.00 0.00 0.00 176.55 177.14 1ua2 n ASN 56 N 0.00 0.00 0.00 4.38 4.13 -1.26 -4.43 115.26 118.08 1ua2 n ASN 56 Ca 0.00 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.26 1ua2 n ASN 56 Cb 0.00 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.24 1ua2 n ASN 56 CO 0.00 0.00 0.00 -1.14 0.28 0.00 0.00 177.26 176.40 1ua2 n ARG 57 N 0.00 0.00 -0.18 3.52 0.63 -1.26 -3.73 116.66 115.64 1ua2 n ARG 57 Ca 0.00 0.00 -0.03 0.00 -0.92 0.00 0.00 57.85 56.90 1ua2 n ARG 57 Cb 0.00 0.00 0.07 0.00 0.45 0.00 0.00 32.46 32.98 1ua2 n ARG 57 CO 0.00 0.00 0.00 1.15 -2.51 0.00 0.00 177.63 176.27 1ua2 h THR 58 N 0.00 0.87 -0.92 5.15 2.02 -2.00 0.12 112.91 118.15 1ua2 h THR 58 Ca 0.00 -0.15 0.04 0.00 0.77 0.00 0.00 66.41 67.07 1ua2 h THR 58 Cb 0.00 0.40 -0.06 0.00 -1.74 0.00 0.00 68.15 66.75 1ua2 h THR 58 CO 0.00 0.08 0.60 0.00 0.37 0.00 0.00 175.52 176.57 1ua2 h ALA 59 N 1.33 1.23 -0.55 6.16 0.00 -1.91 0.12 119.26 125.64 1ua2 h ALA 59 Ca 0.25 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 55.08 1ua2 h ALA 59 Cb 0.24 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 1ua2 h ALA 59 CO -0.23 0.44 0.15 -0.07 0.00 0.00 0.00 179.25 179.55 1ua2 h LEU 60 N 1.14 0.78 -0.56 0.00 3.38 -1.39 -1.45 115.31 117.22 1ua2 h LEU 60 Ca 0.37 -0.13 -0.12 0.00 0.09 0.00 0.00 57.88 58.10 1ua2 h LEU 60 Cb 0.04 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.57 1ua2 h LEU 60 CO -0.13 0.75 -0.11 0.03 0.09 0.00 0.00 178.44 179.07 1ua2 h ARG 61 N 0.81 1.04 -0.39 1.13 3.08 0.60 -1.83 114.38 118.82 1ua2 h ARG 61 Ca 0.18 -0.39 -0.14 0.00 0.07 0.00 0.00 59.98 59.70 1ua2 h ARG 61 Cb 0.27 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.25 1ua2 h ARG 61 CO -0.00 1.08 -0.31 0.93 -1.07 0.00 0.00 179.97 180.59 1ua2 h GLU 62 N 0.92 0.90 0.28 0.04 4.39 -0.59 -2.27 114.58 118.25 1ua2 h GLU 62 Ca 0.14 -0.44 -0.01 0.00 0.34 0.00 0.00 59.36 59.38 1ua2 h GLU 62 Cb 0.69 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.34 1ua2 h GLU 62 CO 0.05 1.09 -0.14 0.82 -1.16 0.00 0.00 179.01 179.68 1ua2 h ILE 63 N 0.71 0.72 0.00 3.13 2.04 -1.18 -1.65 117.51 121.28 1ua2 h ILE 63 Ca 0.07 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.93 1ua2 h ILE 63 Cb 0.89 0.72 0.00 0.00 -0.74 0.00 0.00 36.82 37.70 1ua2 h ILE 63 CO 0.08 0.00 0.00 0.11 0.00 0.00 0.00 178.15 178.34 1ua2 h LYS 64 N -0.38 0.00 0.00 2.37 1.79 -1.27 -1.72 116.57 117.36 1ua2 h LYS 64 Ca -0.04 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.43 1ua2 h LYS 64 Cb 0.29 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.94 1ua2 h LYS 64 CO 0.06 0.00 -0.16 1.25 -1.08 0.00 0.00 179.45 179.52 1ua2 h LEU 65 N 0.00 0.00 -1.67 2.94 5.85 -0.97 -0.66 115.31 120.80 1ua2 h LEU 65 Ca 0.00 0.00 0.35 0.00 0.84 0.00 0.00 57.88 59.07 1ua2 h LEU 65 Cb 0.18 0.00 -0.08 0.00 0.37 0.00 0.00 40.66 41.13 1ua2 h LEU 65 CO 0.00 0.58 0.82 0.25 -0.34 0.00 0.00 178.44 179.75 1ua2 h LEU 66 N -1.00 0.20 0.02 2.25 5.85 -1.32 0.52 115.31 121.83 1ua2 h LEU 66 Ca 0.00 0.05 -0.00 0.00 0.84 0.00 0.00 57.88 58.77 1ua2 h LEU 66 Cb 0.16 0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.22 1ua2 h LEU 66 CO 0.00 0.00 -0.01 1.56 -0.34 0.00 0.00 178.44 179.65 1ua2 h GLN 67 N 0.16 -0.03 0.00 1.25 4.20 -1.34 -3.18 115.11 116.17 1ua2 h GLN 67 Ca 0.64 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 59.32 1ua2 h GLN 67 Cb 2.14 0.01 -0.00 0.00 0.30 0.00 0.00 27.48 29.92 1ua2 h GLN 67 CO -0.18 0.35 -0.16 0.93 -0.67 0.00 0.00 178.83 179.10 1ua2 h GLU 68 N -0.42 0.00 -7.17 1.46 5.08 0.15 -3.44 114.58 110.24 1ua2 h GLU 68 Ca -0.00 0.00 -0.54 0.00 -1.00 0.00 0.00 59.36 57.82 1ua2 h GLU 68 Cb 0.40 0.00 0.16 0.00 0.50 0.00 0.00 28.75 29.81 1ua2 h GLU 68 CO 0.01 0.16 0.40 -0.51 -1.00 0.00 0.00 179.01 178.07 1ua2 s LEU 69 N -8.04 3.32 -0.28 1.33 1.43 0.63 -5.04 118.68 112.03 1ua2 s LEU 69 Ca -0.03 2.41 0.00 0.00 -1.03 0.00 0.00 54.13 55.48 1ua2 s LEU 69 Cb 0.15 -4.59 0.18 0.00 0.03 0.00 0.00 46.19 41.95 1ua2 s LEU 69 CO 0.65 -2.32 0.53 -0.55 0.23 0.00 0.00 176.35 174.88 1ua2 s SER 70 N -1.94 -0.87 -0.28 2.29 0.15 -1.26 -4.98 113.70 106.81 1ua2 s SER 70 Ca 0.76 0.44 -0.18 0.00 0.70 0.00 0.00 55.95 57.67 1ua2 s SER 70 Cb -0.31 1.78 0.08 0.00 -1.71 0.00 0.00 66.02 65.87 1ua2 s SER 70 CO 0.46 -0.29 0.70 -2.28 1.20 0.00 0.00 173.24 173.03 1ua2 s HIS 71 N 2.75 -1.00 0.41 3.44 5.04 -1.26 -5.03 115.29 119.62 1ua2 s HIS 71 Ca 0.16 2.08 0.23 0.00 -1.54 0.00 0.00 55.06 55.99 1ua2 s HIS 71 Cb -0.14 0.56 1.27 0.00 0.04 0.00 0.00 32.58 34.31 1ua2 s HIS 71 CO -0.22 -0.49 1.67 -1.00 -2.34 0.00 0.00 174.74 172.36 1ua2 h PRO 72 N 6.57 0.21 -0.72 2.88 0.13 -2.00 0.16 132.00 139.23 1ua2 h PRO 72 Ca -0.30 -0.01 -0.40 0.00 -0.87 0.00 0.00 66.00 64.42 1ua2 h PRO 72 Cb 1.21 -0.05 -0.23 0.00 0.13 0.00 0.00 31.00 32.07 1ua2 h PRO 72 CO 0.14 0.14 0.29 0.09 -0.23 0.00 0.00 178.00 178.43 1ua2 n ASN 73 N -4.76 3.70 -3.95 1.44 5.03 -1.26 -4.69 115.26 110.78 1ua2 n ASN 73 Ca 0.33 -3.72 -0.22 0.00 0.87 0.00 0.00 54.58 51.84 1ua2 n ASN 73 Cb 1.18 -0.74 -0.16 0.00 -1.02 0.00 0.00 39.78 39.03 1ua2 n ASN 73 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 1ua2 s ILE 74 N -3.52 0.78 0.48 2.41 -1.09 0.55 -1.48 121.20 119.34 1ua2 s ILE 74 Ca 0.52 -0.27 -0.22 0.00 -2.23 0.00 0.00 60.65 58.45 1ua2 s ILE 74 Cb 0.45 -0.76 -0.09 0.00 -1.58 0.00 0.00 42.46 40.48 1ua2 s ILE 74 CO 0.04 0.28 0.95 0.00 -1.23 0.00 0.00 174.94 174.98 1ua2 n ILE 75 N 3.93 2.75 -3.23 2.92 0.00 -0.16 -4.58 119.36 120.99 1ua2 n ILE 75 Ca -0.24 -0.50 -0.41 0.00 0.00 0.00 0.00 62.75 61.60 1ua2 n ILE 75 Cb 0.51 -1.11 -0.08 0.00 0.00 0.00 0.00 39.64 38.96 1ua2 n ILE 75 CO 0.00 0.00 0.00 -0.83 0.00 0.00 0.00 176.55 175.72 1ua2 s GLY 76 N -0.91 1.82 0.01 4.50 0.00 -1.26 -4.96 107.32 106.51 1ua2 s GLY 76 Ca 0.67 -0.83 -0.30 0.00 0.00 0.00 0.00 44.72 44.26 1ua2 s GLY 76 CO 0.54 1.27 0.99 -2.27 0.00 0.00 0.00 173.10 173.63 1ua2 s LEU 77 N 2.39 4.37 -0.15 0.66 2.96 -1.26 -2.93 118.68 124.72 1ua2 s LEU 77 Ca 0.20 1.68 -0.07 0.00 -0.22 0.00 0.00 54.13 55.73 1ua2 s LEU 77 Cb -0.15 -3.57 -0.07 0.00 0.50 0.00 0.00 46.19 42.90 1ua2 s LEU 77 CO 0.12 -0.27 -0.19 0.18 -1.32 0.00 0.00 176.35 174.88 1ua2 n LEU 78 N 3.87 1.21 -4.21 -0.68 4.77 0.49 -4.78 117.00 117.67 1ua2 n LEU 78 Ca 0.06 0.16 -0.12 0.00 -0.03 0.00 0.00 56.01 56.08 1ua2 n LEU 78 Cb 0.51 -0.44 -0.10 0.00 -2.33 0.00 0.00 43.42 41.06 1ua2 n LEU 78 CO 0.52 0.34 -0.24 -1.81 -1.33 0.00 0.00 177.39 174.87 1ua2 s ASP 79 N -6.25 0.26 0.17 -1.43 -0.00 -1.21 -4.98 116.67 103.22 1ua2 s ASP 79 Ca -0.21 -1.38 0.11 0.00 -0.00 0.00 0.00 52.55 51.07 1ua2 s ASP 79 Cb 0.08 0.36 -0.04 0.00 -0.00 0.00 0.00 42.92 43.31 1ua2 s ASP 79 CO 0.27 -0.83 -0.21 0.00 -0.00 0.00 0.00 175.17 174.40 1ua2 s ALA 80 N -4.12 2.60 0.20 5.23 0.00 -1.26 0.20 121.76 124.61 1ua2 s ALA 80 Ca 0.39 -1.54 -0.18 0.00 0.00 0.00 0.00 51.96 50.62 1ua2 s ALA 80 Cb 0.07 -0.45 0.03 0.00 0.00 0.00 0.00 23.12 22.77 1ua2 s ALA 80 CO 0.12 0.48 0.55 -0.59 0.00 0.00 0.00 175.76 176.32 1ua2 s PHE 81 N -1.49 -0.16 0.00 0.00 -0.12 -0.47 -4.99 117.98 110.75 1ua2 s PHE 81 Ca 0.20 -0.18 0.00 0.00 -0.05 0.00 0.00 56.93 56.90 1ua2 s PHE 81 Cb -0.09 0.44 0.00 0.00 -0.63 0.00 0.00 43.02 42.74 1ua2 s PHE 81 CO 0.10 -0.94 0.00 0.41 -0.05 0.00 0.00 175.22 174.74 1ua2 n GLY 82 N -0.36 4.36 3.08 1.99 0.00 -1.26 -0.73 105.19 112.27 1ua2 n GLY 82 Ca -0.10 -1.17 -0.33 0.00 0.00 0.00 0.00 46.02 44.43 1ua2 n GLY 82 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1ua2 s HIS 83 N -2.00 3.53 0.00 1.61 2.46 -1.18 -4.97 115.29 114.75 1ua2 s HIS 83 Ca 0.00 -2.55 0.00 0.00 0.47 0.00 0.00 55.06 52.98 1ua2 s HIS 83 Cb 0.00 -2.62 0.00 0.00 -0.13 0.00 0.00 32.58 29.83 1ua2 s HIS 83 CO 0.00 -0.91 0.00 1.17 -2.47 0.00 0.00 174.74 172.53 1ua2 n LYS 84 N 4.42 0.00 0.16 2.88 4.81 -1.26 -2.80 118.16 126.37 1ua2 n LYS 84 Ca -0.04 0.00 0.12 0.00 -0.87 0.00 0.00 58.31 57.52 1ua2 n LYS 84 Cb 0.42 0.00 0.58 0.00 0.02 0.00 0.00 35.03 36.05 1ua2 n LYS 84 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 1ua2 h SER 85 N 0.00 0.00 -3.83 3.14 4.64 -1.97 -3.43 113.55 112.11 1ua2 h SER 85 Ca 0.00 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.18 1ua2 h SER 85 Cb 0.00 0.00 -0.25 0.00 -0.31 0.00 0.00 62.40 61.84 1ua2 h SER 85 CO 0.00 0.00 -0.31 0.20 -0.87 0.00 0.00 176.83 175.85 1ua2 s ASN 86 N -4.28 -0.37 0.04 4.97 0.01 -1.12 -5.00 114.94 109.20 1ua2 s ASN 86 Ca 0.01 0.70 0.08 0.00 -0.71 0.00 0.00 52.86 52.94 1ua2 s ASN 86 Cb 0.08 0.71 -0.03 0.00 0.41 0.00 0.00 41.25 42.42 1ua2 s ASN 86 CO 0.31 -0.12 -0.23 -0.63 -1.51 0.00 0.00 177.10 174.92 1ua2 s ILE 87 N 0.25 1.83 -0.08 0.60 -1.09 -1.26 -3.07 121.20 118.38 1ua2 s ILE 87 Ca -0.01 -1.27 -0.00 0.00 -2.23 0.00 0.00 60.65 57.14 1ua2 s ILE 87 Cb -0.03 -1.58 0.02 0.00 -1.58 0.00 0.00 42.46 39.29 1ua2 s ILE 87 CO -0.00 0.26 -0.04 -0.44 -1.23 0.00 0.00 174.94 173.49 1ua2 s SER 88 N -1.21 1.64 -0.14 3.58 0.01 0.09 -0.25 113.70 117.43 1ua2 s SER 88 Ca 0.09 -0.17 -0.02 0.00 1.31 0.00 0.00 55.95 57.17 1ua2 s SER 88 Cb -0.09 -0.58 -0.02 0.00 0.21 0.00 0.00 66.02 65.54 1ua2 s SER 88 CO 0.02 -0.13 -0.09 -0.76 0.41 0.00 0.00 173.24 172.68 1ua2 s LEU 89 N 1.62 2.93 -0.31 2.44 1.43 0.30 -1.36 118.68 125.73 1ua2 s LEU 89 Ca 0.01 -0.25 -0.09 0.00 -1.03 0.00 0.00 54.13 52.77 1ua2 s LEU 89 Cb -0.13 -1.68 -0.01 0.00 0.03 0.00 0.00 46.19 44.41 1ua2 s LEU 89 CO -0.05 0.17 0.14 -0.69 0.23 0.00 0.00 176.35 176.15 1ua2 s VAL 90 N 0.36 4.47 0.06 -1.59 1.01 0.52 -0.17 120.40 125.06 1ua2 s VAL 90 Ca -0.08 -0.46 0.08 0.00 0.00 0.00 0.00 61.98 61.52 1ua2 s VAL 90 Cb -0.15 -3.28 -0.03 0.00 0.00 0.00 0.00 36.38 32.92 1ua2 s VAL 90 CO 0.05 0.08 -0.22 -0.36 0.00 0.00 0.00 175.10 174.65 1ua2 s PHE 91 N 1.59 2.44 0.57 5.22 0.40 0.43 0.19 117.98 128.82 1ua2 s PHE 91 Ca 0.04 -0.33 -0.20 0.00 -0.60 0.00 0.00 56.93 55.85 1ua2 s PHE 91 Cb -0.17 -1.41 -0.05 0.00 0.51 0.00 0.00 43.02 41.91 1ua2 s PHE 91 CO 0.05 0.23 1.13 -0.40 0.70 0.00 0.00 175.22 176.93 1ua2 n ASP 92 N 1.51 1.59 -4.78 1.36 5.75 -1.15 0.50 116.55 121.33 1ua2 n ASP 92 Ca -0.17 0.89 -0.39 0.00 -0.01 0.00 0.00 54.79 55.11 1ua2 n ASP 92 Cb 0.52 -1.47 -0.06 0.00 -1.03 0.00 0.00 41.12 39.09 1ua2 n ASP 92 CO 0.00 0.00 0.00 0.12 -0.11 0.00 0.00 177.20 177.21 1ua2 s PHE 93 N -1.40 3.77 -0.14 2.11 5.36 -1.08 -4.49 117.98 122.11 1ua2 s PHE 93 Ca 0.74 1.33 0.01 0.00 -0.96 0.00 0.00 56.93 58.05 1ua2 s PHE 93 Cb -0.43 -2.62 -0.00 0.00 -0.34 0.00 0.00 43.02 39.63 1ua2 s PHE 93 CO 0.48 0.45 -0.17 -1.64 -1.46 0.00 0.00 175.22 172.87 1ua2 s MET 94 N -0.64 3.20 0.02 10.12 -1.94 -1.26 -4.81 119.30 123.98 1ua2 s MET 94 Ca 0.32 -0.77 -0.03 0.00 -1.71 0.00 0.00 55.69 53.49 1ua2 s MET 94 Cb -0.20 -2.54 -0.01 0.00 2.01 0.00 0.00 34.83 34.10 1ua2 s MET 94 CO 0.20 0.09 0.96 0.39 -0.01 0.00 0.00 175.02 176.65 1ua2 n GLU 95 N 3.84 -0.05 -1.89 2.03 1.02 -0.89 -4.81 120.64 119.90 1ua2 n GLU 95 Ca -0.19 0.96 0.00 0.00 -0.02 0.00 0.00 57.16 57.91 1ua2 n GLU 95 Cb 0.52 -1.43 0.00 0.00 -0.02 0.00 0.00 31.44 30.51 1ua2 n GLU 95 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 1ua2 n THR 96 N -3.17 0.00 -4.48 2.62 -2.24 -1.12 -5.01 114.28 100.88 1ua2 n THR 96 Ca 0.00 0.00 -0.23 0.00 -2.27 0.00 0.00 64.05 61.55 1ua2 n THR 96 Cb 0.03 0.00 -0.11 0.00 -2.10 0.00 0.00 70.33 68.15 1ua2 n THR 96 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 1ua2 s ASP 97 N -0.95 2.99 0.17 3.42 -4.77 -1.26 0.14 116.67 116.41 1ua2 s ASP 97 Ca 0.00 -1.27 0.20 0.00 -3.30 0.00 0.00 52.55 48.18 1ua2 s ASP 97 Cb 0.00 -0.21 0.84 0.00 -1.09 0.00 0.00 42.92 42.46 1ua2 s ASP 97 CO 0.00 -0.41 1.61 -0.11 0.70 0.00 0.00 175.17 176.96 1ua2 n LEU 98 N -0.70 0.42 -0.05 2.11 7.94 0.95 -2.65 117.00 125.01 1ua2 n LEU 98 Ca -0.04 0.61 -0.14 0.00 -1.11 0.00 0.00 56.01 55.33 1ua2 n LEU 98 Cb 0.65 -0.56 -0.08 0.00 0.53 0.00 0.00 43.42 43.96 1ua2 n LEU 98 CO 0.42 -0.47 0.53 -0.08 -1.11 0.00 0.00 177.39 176.68 1ua2 h GLU 99 N 0.00 0.39 0.00 1.96 4.81 -1.77 -2.27 114.58 117.70 1ua2 h GLU 99 Ca 0.00 -0.25 -0.05 0.00 -0.13 0.00 0.00 59.36 58.94 1ua2 h GLU 99 Cb 0.30 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.70 1ua2 h GLU 99 CO 0.00 0.84 -0.22 -0.24 -0.73 0.00 0.00 179.01 178.66 1ua2 h VAL 100 N -0.02 0.82 0.01 0.32 3.04 -1.84 0.60 116.25 119.18 1ua2 h VAL 100 Ca 0.01 -0.89 -0.00 0.00 -1.01 0.00 0.00 66.70 64.81 1ua2 h VAL 100 Cb 0.82 1.53 0.00 0.00 -2.01 0.00 0.00 31.29 31.63 1ua2 h VAL 100 CO 0.05 0.22 -0.00 0.40 -1.01 0.00 0.00 177.57 177.23 1ua2 h ILE 101 N 0.00 1.40 0.28 3.17 1.08 -1.61 -3.22 117.51 118.61 1ua2 h ILE 101 Ca -0.00 -1.24 0.01 0.00 -0.39 0.00 0.00 64.86 63.24 1ua2 h ILE 101 Cb 0.51 2.24 -0.03 0.00 -3.07 0.00 0.00 36.82 36.47 1ua2 h ILE 101 CO 0.03 0.32 -0.38 0.40 -0.69 0.00 0.00 178.15 177.83 1ua2 h ILE 102 N -0.54 0.23 -3.51 -0.67 1.08 -1.07 -3.41 117.51 109.62 1ua2 h ILE 102 Ca -0.00 0.00 -0.54 0.00 -0.39 0.00 0.00 64.86 63.93 1ua2 h ILE 102 Cb 0.53 0.23 0.09 0.00 -3.07 0.00 0.00 36.82 34.60 1ua2 h ILE 102 CO 0.00 0.00 0.84 1.17 -0.69 0.00 0.00 178.15 179.47 1ua2 n LYS 103 N -5.47 2.69 0.00 2.37 3.00 0.21 -4.07 118.16 116.89 1ua2 n LYS 103 Ca -0.09 0.95 0.00 0.00 -0.00 0.00 0.00 58.31 59.17 1ua2 n LYS 103 Cb 0.37 -2.71 0.00 0.00 0.00 0.00 0.00 35.03 32.69 1ua2 n LYS 103 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1ua2 n ASP 104 N 1.52 0.00 -4.55 3.14 8.00 -1.26 -4.51 116.55 118.89 1ua2 n ASP 104 Ca 0.06 0.00 -0.19 0.00 0.71 0.00 0.00 54.79 55.37 1ua2 n ASP 104 Cb 0.37 0.00 -0.08 0.00 -0.02 0.00 0.00 41.12 41.40 1ua2 n ASP 104 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1ua2 n ASN 105 N 0.00 1.64 0.06 -2.24 2.85 -1.26 -4.56 115.26 111.75 1ua2 n ASN 105 Ca 0.00 -1.18 0.12 0.00 -0.11 0.00 0.00 54.58 53.40 1ua2 n ASN 105 Cb 0.00 -1.55 0.05 0.00 1.24 0.00 0.00 39.78 39.52 1ua2 n ASN 105 CO 0.00 0.00 0.00 -1.20 -2.11 0.00 0.00 177.26 173.95 1ua2 n SER 106 N 17.03 0.70 0.16 1.20 7.64 -1.26 -3.10 113.62 135.98 1ua2 n SER 106 Ca 0.47 0.11 -0.17 0.00 1.01 0.00 0.00 58.87 60.29 1ua2 n SER 106 Cb 0.42 0.53 -0.10 0.00 -1.01 0.00 0.00 64.21 64.06 1ua2 n SER 106 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 1ua2 h LEU 107 N 0.00 -1.50 -9.95 -3.43 5.85 -1.96 -3.40 115.31 100.93 1ua2 h LEU 107 Ca 0.00 0.15 -0.52 0.00 0.84 0.00 0.00 57.88 58.35 1ua2 h LEU 107 Cb 0.85 0.54 0.08 0.00 0.37 0.00 0.00 40.66 42.50 1ua2 h LEU 107 CO 0.00 -0.58 0.61 -0.69 -0.34 0.00 0.00 178.44 177.44 1ua2 s VAL 108 N -5.82 2.64 -0.01 1.05 1.01 -1.18 -5.03 120.40 113.06 1ua2 s VAL 108 Ca -0.17 0.57 0.00 0.00 0.00 0.00 0.00 61.98 62.39 1ua2 s VAL 108 Cb 0.06 -3.34 0.02 0.00 0.00 0.00 0.00 36.38 33.12 1ua2 s VAL 108 CO 0.61 0.08 0.01 -1.48 0.00 0.00 0.00 175.10 174.33 1ua2 s LEU 109 N -2.43 1.46 -0.28 3.92 0.05 -1.26 -4.89 118.68 115.25 1ua2 s LEU 109 Ca 0.57 0.02 -0.03 0.00 0.05 0.00 0.00 54.13 54.73 1ua2 s LEU 109 Cb -0.38 -0.06 0.03 0.00 -2.05 0.00 0.00 46.19 43.73 1ua2 s LEU 109 CO 0.48 -0.07 0.00 0.42 -0.55 0.00 0.00 176.35 176.64 1ua2 s THR 110 N 0.62 3.27 0.16 5.48 -4.23 -1.26 -5.02 115.64 114.66 1ua2 s THR 110 Ca -0.05 -1.02 0.11 0.00 -1.18 0.00 0.00 61.69 59.54 1ua2 s THR 110 Cb -0.08 -2.73 -0.04 0.00 1.34 0.00 0.00 72.50 70.99 1ua2 s THR 110 CO -0.02 0.07 -0.24 -2.16 -0.54 0.00 0.00 174.62 171.74 1ua2 s PRO 111 N 1.36 1.41 0.00 3.99 0.04 -1.26 -4.84 135.00 135.70 1ua2 s PRO 111 Ca -0.00 -1.42 0.00 0.00 0.04 0.00 0.00 61.00 59.61 1ua2 s PRO 111 Cb -0.18 -1.74 0.00 0.00 0.04 0.00 0.00 34.50 32.62 1ua2 s PRO 111 CO -0.01 0.39 0.00 0.45 0.04 0.00 0.00 177.00 177.86 1ua2 n SER 112 N 0.53 0.00 -0.26 6.66 2.88 -1.26 -3.60 113.62 118.57 1ua2 n SER 112 Ca -0.15 0.00 -0.10 0.00 -1.33 0.00 0.00 58.87 57.29 1ua2 n SER 112 Cb 0.55 -0.06 -0.07 0.00 -0.75 0.00 0.00 64.21 63.88 1ua2 n SER 112 CO 0.00 0.00 0.00 0.45 -1.23 0.00 0.00 175.04 174.26 1ua2 h HIS 113 N 0.00 -1.58 -0.97 0.66 3.86 -1.92 -2.90 115.15 112.29 1ua2 h HIS 113 Ca 0.00 0.10 0.34 0.00 -1.16 0.00 0.00 60.37 59.65 1ua2 h HIS 113 Cb 0.00 0.78 -0.18 0.00 1.06 0.00 0.00 27.41 29.08 1ua2 h HIS 113 CO 0.00 -0.43 0.28 -0.89 0.86 0.00 0.00 177.93 177.75 1ua2 n ILE 114 N -5.36 -0.41 -0.30 2.45 5.41 -1.24 0.99 119.36 120.91 1ua2 n ILE 114 Ca 0.01 2.06 -0.00 0.00 1.00 0.00 0.00 62.75 65.82 1ua2 n ILE 114 Cb 0.33 -3.17 0.13 0.00 -0.71 0.00 0.00 39.64 36.21 1ua2 n ILE 114 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 176.55 177.05 1ua2 h LYS 115 N 0.00 0.92 0.74 0.38 1.63 -1.82 -2.40 116.57 116.03 1ua2 h LYS 115 Ca 0.71 -0.06 -0.04 0.00 -0.85 0.00 0.00 60.65 60.42 1ua2 h LYS 115 Cb 1.72 -0.21 0.01 0.00 -0.60 0.00 0.00 32.23 33.15 1ua2 h LYS 115 CO -0.83 0.61 -0.36 0.00 -3.45 0.00 0.00 179.45 175.42 1ua2 h ALA 116 N 1.39 -1.09 -0.91 5.00 0.00 0.63 0.34 119.26 124.62 1ua2 h ALA 116 Ca 0.36 -0.22 0.14 0.00 0.00 0.00 0.00 54.91 55.19 1ua2 h ALA 116 Cb 0.14 0.39 -0.15 0.00 0.00 0.00 0.00 17.79 18.17 1ua2 h ALA 116 CO -0.16 -1.02 -0.34 0.66 0.00 0.00 0.00 179.25 178.38 1ua2 n TYR 117 N -5.11 0.05 -0.16 0.00 0.53 -1.05 -0.32 117.16 111.10 1ua2 n TYR 117 Ca -0.12 1.11 -0.09 0.00 -1.02 0.00 0.00 57.90 57.78 1ua2 n TYR 117 Cb 0.39 -0.86 0.00 0.00 -1.03 0.00 0.00 39.34 37.85 1ua2 n TYR 117 CO 0.00 0.00 0.00 0.52 -1.02 0.00 0.00 176.86 176.36 1ua2 h MET 118 N 0.00 0.72 -0.67 -0.72 2.86 -1.22 0.18 114.93 116.07 1ua2 h MET 118 Ca 0.33 -0.16 0.14 0.00 -2.06 0.00 0.00 59.70 57.95 1ua2 h MET 118 Cb 0.55 -0.10 -0.10 0.00 0.06 0.00 0.00 31.60 32.01 1ua2 h MET 118 CO -0.90 0.69 0.15 1.25 1.06 0.00 0.00 176.91 179.16 1ua2 h LEU 119 N 0.61 0.00 0.28 1.22 5.85 0.27 -0.62 115.31 122.92 1ua2 h LEU 119 Ca 0.15 0.13 -0.01 0.00 0.84 0.00 0.00 57.88 58.98 1ua2 h LEU 119 Cb 0.27 0.18 0.00 0.00 0.37 0.00 0.00 40.66 41.48 1ua2 h LEU 119 CO -0.00 -0.01 -0.13 0.24 -0.34 0.00 0.00 178.44 178.19 1ua2 h MET 120 N 0.27 -0.36 -0.69 1.25 0.00 0.22 -2.15 114.93 113.47 1ua2 h MET 120 Ca 0.36 0.02 0.08 0.00 0.00 0.00 0.00 59.70 60.17 1ua2 h MET 120 Cb 0.58 0.08 -0.09 0.00 0.00 0.00 0.00 31.60 32.17 1ua2 h MET 120 CO -0.46 -0.24 -0.35 2.41 0.00 0.00 0.00 176.91 178.26 1ua2 n THR 121 N -4.75 -0.43 0.15 2.22 -1.04 0.53 0.20 114.28 111.15 1ua2 n THR 121 Ca -0.05 1.65 -0.14 0.00 -2.04 0.00 0.00 64.05 63.47 1ua2 n THR 121 Cb 0.15 -2.09 -0.08 0.00 -1.82 0.00 0.00 70.33 66.49 1ua2 n THR 121 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 1ua2 h LEU 122 N 0.00 -0.27 -0.40 -4.42 3.38 -1.13 0.71 115.31 113.17 1ua2 h LEU 122 Ca 0.16 0.01 0.08 0.00 0.09 0.00 0.00 57.88 58.22 1ua2 h LEU 122 Cb 0.33 0.07 -0.08 0.00 0.09 0.00 0.00 40.66 41.07 1ua2 h LEU 122 CO -0.66 -0.19 -0.14 1.56 0.09 0.00 0.00 178.44 179.10 1ua2 h GLN 123 N -0.31 -0.05 -0.31 1.13 4.20 -0.03 1.78 115.11 121.52 1ua2 h GLN 123 Ca -0.03 0.00 0.07 0.00 0.06 0.00 0.00 58.65 58.75 1ua2 h GLN 123 Cb 0.24 0.01 -0.08 0.00 0.30 0.00 0.00 27.48 27.95 1ua2 h GLN 123 CO 0.05 -0.03 -0.27 0.78 -0.67 0.00 0.00 178.83 178.68 1ua2 h GLY 124 N -0.05 -0.18 1.04 3.46 0.00 0.20 -1.12 103.07 106.42 1ua2 h GLY 124 Ca 0.20 0.34 -0.04 0.00 0.00 0.00 0.00 47.33 47.83 1ua2 h GLY 124 CO -0.44 -0.21 0.38 1.41 0.00 0.00 0.00 176.54 177.68 1ua2 h LEU 125 N -0.25 1.11 -1.04 3.11 3.38 0.14 -2.32 115.31 119.44 1ua2 h LEU 125 Ca 0.15 -0.15 0.05 0.00 0.09 0.00 0.00 57.88 58.03 1ua2 h LEU 125 Cb 0.49 -0.29 -0.06 0.00 0.09 0.00 0.00 40.66 40.90 1ua2 h LEU 125 CO -0.45 0.95 0.64 -0.08 0.09 0.00 0.00 178.44 179.59 1ua2 h GLU 126 N 1.19 1.16 -0.45 1.13 4.81 0.32 0.12 114.58 122.86 1ua2 h GLU 126 Ca 0.28 -0.07 -0.10 0.00 -0.13 0.00 0.00 59.36 59.34 1ua2 h GLU 126 Cb 0.15 -0.26 -0.01 0.00 0.63 0.00 0.00 28.75 29.26 1ua2 h GLU 126 CO -0.03 0.77 -0.10 -0.92 -0.73 0.00 0.00 179.01 178.00 1ua2 h TYR 127 N 1.20 0.98 -0.57 0.92 3.20 -1.04 0.52 116.97 122.17 1ua2 h TYR 127 Ca 0.41 -0.21 -0.06 0.00 3.14 0.00 0.00 58.73 62.01 1ua2 h TYR 127 Cb 0.08 -0.24 -0.02 0.00 1.54 0.00 0.00 36.73 38.09 1ua2 h TYR 127 CO -0.00 0.96 0.13 -0.07 -1.64 0.00 0.00 178.16 177.55 1ua2 h LEU 128 N 0.71 0.87 -0.14 2.82 3.38 -0.67 -1.17 115.31 121.11 1ua2 h LEU 128 Ca 0.12 -0.24 -0.04 0.00 0.09 0.00 0.00 57.88 57.81 1ua2 h LEU 128 Cb 0.64 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 41.16 1ua2 h LEU 128 CO 0.04 0.88 -0.05 0.45 0.09 0.00 0.00 178.44 179.85 1ua2 h HIS 129 N 0.82 0.32 -0.75 1.13 3.86 -0.69 -0.50 115.15 119.35 1ua2 h HIS 129 Ca 0.18 -0.07 0.22 0.00 -1.16 0.00 0.00 60.37 59.53 1ua2 h HIS 129 Cb 0.35 -0.08 -0.03 0.00 1.06 0.00 0.00 27.41 28.72 1ua2 h HIS 129 CO 0.02 0.59 0.55 0.37 0.86 0.00 0.00 177.93 180.33 1ua2 h GLN 130 N -0.04 0.00 -0.76 2.45 4.15 -0.54 0.94 115.11 121.31 1ua2 h GLN 130 Ca 0.03 0.00 -0.17 0.00 0.77 0.00 0.00 58.65 59.28 1ua2 h GLN 130 Cb 0.49 0.00 -0.10 0.00 0.21 0.00 0.00 27.48 28.08 1ua2 h GLN 130 CO 0.02 0.00 0.22 0.72 -1.93 0.00 0.00 178.83 177.86 1ua2 n HIS 131 N -4.25 2.20 -3.23 3.99 8.25 -0.47 -4.89 115.22 116.83 1ua2 n HIS 131 Ca 0.15 -1.04 -0.23 0.00 -0.26 0.00 0.00 57.72 56.33 1ua2 n HIS 131 Cb 0.83 -0.62 0.04 0.00 1.12 0.00 0.00 29.99 31.36 1ua2 n HIS 131 CO 0.00 0.00 0.00 0.91 0.64 0.00 0.00 176.34 177.89 1ua2 n TRP 132 N -0.01 -2.14 -4.88 4.41 7.02 0.33 -4.99 117.44 117.18 1ua2 n TRP 132 Ca 0.36 0.63 -0.27 0.00 -1.02 0.00 0.00 57.50 57.19 1ua2 n TRP 132 Cb 1.27 -4.37 -0.16 0.00 -2.42 0.00 0.00 31.31 25.63 1ua2 n TRP 132 CO 0.00 0.00 0.00 0.42 -2.02 0.00 0.00 177.69 176.09 1ua2 s ILE 133 N -3.18 1.53 -0.21 -0.99 1.01 -0.30 -5.02 121.20 114.04 1ua2 s ILE 133 Ca 0.39 -0.74 -0.12 0.00 0.00 0.00 0.00 60.65 60.19 1ua2 s ILE 133 Cb -0.18 -1.34 -0.05 0.00 0.01 0.00 0.00 42.46 40.90 1ua2 s ILE 133 CO 0.49 0.44 0.22 -0.76 0.00 0.00 0.00 174.94 175.32 1ua2 s LEU 134 N 0.30 4.16 0.04 2.97 1.43 -1.26 -3.47 118.68 122.84 1ua2 s LEU 134 Ca -0.11 0.26 -0.31 0.00 -1.03 0.00 0.00 54.13 52.95 1ua2 s LEU 134 Cb -0.15 -2.21 -0.06 0.00 0.03 0.00 0.00 46.19 43.80 1ua2 s LEU 134 CO 0.04 0.07 1.31 -2.28 0.23 0.00 0.00 176.35 175.72 1ua2 s HIS 135 N 0.89 3.17 -0.36 0.29 5.65 -1.26 -4.89 115.29 118.78 1ua2 s HIS 135 Ca 0.11 1.05 0.15 0.00 0.25 0.00 0.00 55.06 56.61 1ua2 s HIS 135 Cb -0.13 -3.56 0.44 0.00 -1.18 0.00 0.00 32.58 28.15 1ua2 s HIS 135 CO 0.04 -1.93 1.35 0.54 -0.65 0.00 0.00 174.74 174.08 1ua2 n ARG 136 N 4.55 2.82 -2.70 2.88 1.74 -1.26 -4.61 116.66 120.08 1ua2 n ARG 136 Ca 0.11 -2.59 -0.05 0.00 -0.77 0.00 0.00 57.85 54.56 1ua2 n ARG 136 Cb 0.44 -1.66 0.10 0.00 -1.02 0.00 0.00 32.46 30.33 1ua2 n ARG 136 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1ua2 n ASP 137 N -0.31 -0.93 -4.79 0.55 2.03 -1.26 -5.01 116.55 106.82 1ua2 n ASP 137 Ca 0.18 -2.35 -0.37 0.00 0.52 0.00 0.00 54.79 52.77 1ua2 n ASP 137 Cb 0.74 0.53 -0.06 0.00 -0.72 0.00 0.00 41.12 41.61 1ua2 n ASP 137 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1ua2 s LEU 138 N -3.61 4.42 0.10 -2.67 1.43 -1.26 -4.84 118.68 112.25 1ua2 s LEU 138 Ca 0.18 1.59 -0.26 0.00 -1.03 0.00 0.00 54.13 54.61 1ua2 s LEU 138 Cb 0.42 -3.59 0.08 0.00 0.03 0.00 0.00 46.19 43.12 1ua2 s LEU 138 CO -0.08 0.07 0.91 -1.59 0.23 0.00 0.00 176.35 175.88 1ua2 s LYS 139 N -1.73 1.09 0.44 1.70 -2.85 -1.26 -4.87 119.74 112.27 1ua2 s LYS 139 Ca 0.42 -0.54 0.18 0.00 -1.00 0.00 0.00 55.97 55.04 1ua2 s LYS 139 Cb -0.19 0.42 1.13 0.00 -2.06 0.00 0.00 37.83 37.12 1ua2 s LYS 139 CO 0.23 -0.49 1.91 -1.00 0.10 0.00 0.00 175.35 176.10 1ua2 h PRO 140 N 2.00 0.33 -0.26 1.78 0.13 -1.94 -0.65 132.00 133.39 1ua2 h PRO 140 Ca -0.24 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.87 1ua2 h PRO 140 Cb 1.24 -0.07 0.00 0.00 0.13 0.00 0.00 31.00 32.30 1ua2 h PRO 140 CO 0.28 0.22 0.00 0.27 -0.23 0.00 0.00 178.00 178.54 1ua2 n ASN 141 N -4.46 0.78 -0.16 1.44 0.23 -1.26 -2.39 115.26 109.44 1ua2 n ASN 141 Ca 0.15 -2.03 0.02 0.00 -0.53 0.00 0.00 54.58 52.19 1ua2 n ASN 141 Cb 0.60 -0.16 0.02 0.00 -2.08 0.00 0.00 39.78 38.17 1ua2 n ASN 141 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 1ua2 n ASN 142 N -0.13 1.50 -4.34 0.53 3.02 -0.26 -4.79 115.26 110.79 1ua2 n ASN 142 Ca 0.04 -1.31 -0.46 0.00 -0.03 0.00 0.00 54.58 52.81 1ua2 n ASN 142 Cb 0.15 -0.01 -0.03 0.00 -0.61 0.00 0.00 39.78 39.27 1ua2 n ASN 142 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1ua2 s LEU 143 N -0.44 6.38 0.44 3.41 1.43 -1.02 0.29 118.68 129.18 1ua2 s LEU 143 Ca 0.05 -2.30 -0.08 0.00 -1.03 0.00 0.00 54.13 50.78 1ua2 s LEU 143 Cb 0.03 -2.23 -0.05 0.00 0.03 0.00 0.00 46.19 43.97 1ua2 s LEU 143 CO 0.05 -0.73 0.77 -0.76 0.23 0.00 0.00 176.35 175.91 1ua2 s LEU 144 N 0.93 3.72 -0.04 1.79 1.43 0.21 -0.04 118.68 126.69 1ua2 s LEU 144 Ca 0.14 1.02 0.04 0.00 -1.03 0.00 0.00 54.13 54.30 1ua2 s LEU 144 Cb -0.16 -3.94 -0.00 0.00 0.03 0.00 0.00 46.19 42.12 1ua2 s LEU 144 CO -0.04 -0.49 -0.16 -0.76 0.23 0.00 0.00 176.35 175.12 1ua2 s LEU 145 N -4.31 1.89 0.59 1.79 1.02 0.38 -1.21 118.68 118.84 1ua2 s LEU 145 Ca 0.49 -0.34 -0.04 0.00 0.02 0.00 0.00 54.13 54.26 1ua2 s LEU 145 Cb -0.10 -0.94 0.02 0.00 0.02 0.00 0.00 46.19 45.19 1ua2 s LEU 145 CO 0.39 0.14 0.88 1.51 0.02 0.00 0.00 176.35 179.28 1ua2 s ASP 146 N 0.11 5.37 0.08 2.29 -4.77 -0.49 -2.09 116.67 117.17 1ua2 s ASP 146 Ca -0.05 0.47 -0.02 0.00 -3.30 0.00 0.00 52.55 49.65 1ua2 s ASP 146 Cb -0.12 -1.39 0.15 0.00 -1.09 0.00 0.00 42.92 40.47 1ua2 s ASP 146 CO 0.02 -1.17 0.45 -0.62 0.70 0.00 0.00 175.17 174.56 1ua2 n GLU 147 N -2.56 -0.03 -0.86 2.11 -0.58 -1.26 -0.16 120.64 117.30 1ua2 n GLU 147 Ca 0.06 0.45 -0.03 0.00 -0.42 0.00 0.00 57.16 57.21 1ua2 n GLU 147 Cb 0.59 -0.67 0.28 0.00 -0.57 0.00 0.00 31.44 31.06 1ua2 n GLU 147 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 1ua2 n ASN 148 N -4.43 4.57 -2.05 1.62 3.02 -1.26 -4.92 115.26 111.81 1ua2 n ASN 148 Ca 0.05 -2.98 -0.17 0.00 -0.03 0.00 0.00 54.58 51.45 1ua2 n ASN 148 Cb 0.16 -0.70 0.01 0.00 -0.61 0.00 0.00 39.78 38.63 1ua2 n ASN 148 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1ua2 n GLY 149 N 0.05 -0.28 3.67 7.41 0.00 0.77 -4.15 105.19 112.66 1ua2 n GLY 149 Ca 0.33 -0.16 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 1ua2 n GLY 149 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ua2 s VAL 150 N -2.89 4.97 -0.11 1.61 1.01 -1.26 -4.80 120.40 118.92 1ua2 s VAL 150 Ca 0.09 1.39 -0.25 0.00 0.00 0.00 0.00 61.98 63.21 1ua2 s VAL 150 Cb -0.04 -4.03 -0.02 0.00 0.00 0.00 0.00 36.38 32.29 1ua2 s VAL 150 CO 0.11 0.10 0.80 -0.22 0.00 0.00 0.00 175.10 175.88 1ua2 s LEU 151 N 1.86 4.25 0.13 3.92 0.20 -1.26 -1.39 118.68 126.38 1ua2 s LEU 151 Ca 0.34 1.23 0.10 0.00 0.69 0.00 0.00 54.13 56.48 1ua2 s LEU 151 Cb -0.16 -3.21 -0.04 0.00 -0.43 0.00 0.00 46.19 42.34 1ua2 s LEU 151 CO 0.12 -0.28 -0.24 -0.54 -0.29 0.00 0.00 176.35 175.12 1ua2 s LYS 152 N 1.54 1.31 0.12 1.98 1.02 -0.35 -4.15 119.74 121.22 1ua2 s LYS 152 Ca 0.39 -1.30 -0.16 0.00 0.02 0.00 0.00 55.97 54.92 1ua2 s LYS 152 Cb -0.17 -1.68 -0.07 0.00 -0.52 0.00 0.00 37.83 35.39 1ua2 s LYS 152 CO 0.16 0.39 0.56 -0.51 -0.92 0.00 0.00 175.35 175.03 1ua2 s LEU 153 N -2.11 4.40 1.11 3.17 1.43 -0.55 -0.62 118.68 125.52 1ua2 s LEU 153 Ca 0.12 1.14 -0.17 0.00 -1.03 0.00 0.00 54.13 54.19 1ua2 s LEU 153 Cb -0.10 -3.14 0.25 0.00 0.03 0.00 0.00 46.19 43.24 1ua2 s LEU 153 CO 0.06 0.16 1.16 0.00 0.23 0.00 0.00 176.35 177.96 1ua2 s ALA 154 N -1.34 1.07 0.17 4.21 0.00 0.15 -0.99 121.76 125.03 1ua2 s ALA 154 Ca 0.35 -0.92 -0.32 0.00 0.00 0.00 0.00 51.96 51.07 1ua2 s ALA 154 Cb -0.16 -2.89 -0.10 0.00 0.00 0.00 0.00 23.12 19.96 1ua2 s ALA 154 CO 0.19 -3.18 1.61 0.16 0.00 0.00 0.00 175.76 174.53 1ua2 s ASP 155 N -4.08 6.53 0.00 0.00 -4.77 -1.26 -4.75 116.67 108.35 1ua2 s ASP 155 Ca 0.70 2.68 -0.04 0.00 -3.30 0.00 0.00 52.55 52.59 1ua2 s ASP 155 Cb -0.10 -2.59 -0.05 0.00 -1.09 0.00 0.00 42.92 39.09 1ua2 s ASP 155 CO 0.55 -0.86 1.00 2.22 0.70 0.00 0.00 175.17 178.78 1ua2 n PHE 156 N 4.00 0.00 0.00 2.11 1.16 -1.26 -4.76 117.46 118.71 1ua2 n PHE 156 Ca 0.14 -0.46 0.00 0.00 -1.87 0.00 0.00 57.45 55.26 1ua2 n PHE 156 Cb 0.38 -0.59 0.00 0.00 -1.61 0.00 0.00 39.48 37.65 1ua2 n PHE 156 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 1ua2 n GLY 157 N 4.02 2.78 0.00 4.97 0.00 -1.26 -3.29 105.19 112.41 1ua2 n GLY 157 Ca 0.06 0.18 0.00 0.00 0.00 0.00 0.00 46.02 46.26 1ua2 n GLY 157 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1ua2 n LEU 158 N 0.00 0.00 0.00 0.99 4.77 -1.26 0.71 117.00 122.21 1ua2 n LEU 158 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1ua2 n LEU 158 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1ua2 n LEU 158 CO 0.00 0.00 0.18 0.00 -1.33 0.00 0.00 177.39 176.24 1ua2 n ALA 159 N -2.08 0.99 -1.41 -1.18 0.00 -1.21 -2.09 120.51 113.54 1ua2 n ALA 159 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1ua2 n ALA 159 Cb 0.00 -0.67 0.00 0.00 0.00 0.00 0.00 19.45 18.78 1ua2 n ALA 159 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1ua2 n LYS 160 N -0.86 0.00 0.00 0.00 4.81 0.22 -4.82 118.16 117.51 1ua2 n LYS 160 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1ua2 n LYS 160 Cb 0.01 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.06 1ua2 n LYS 160 CO 0.00 0.00 0.00 0.43 1.17 0.00 0.00 177.40 179.00 1ua2 n SER 161 N 0.00 0.00 0.08 3.14 7.64 -1.19 -1.58 113.62 121.71 1ua2 n SER 161 Ca 0.00 0.00 -0.02 0.00 1.01 0.00 0.00 58.87 59.86 1ua2 n SER 161 Cb 0.00 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.14 1ua2 n SER 161 CO 0.00 0.00 0.00 -0.26 -3.01 0.00 0.00 175.04 171.77 1ua2 h PHE 162 N 0.00 0.00 0.00 1.43 -1.00 -1.79 -3.36 116.94 112.22 1ua2 h PHE 162 Ca 0.00 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 1ua2 h PHE 162 Cb 0.00 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.56 1ua2 h PHE 162 CO 0.00 0.73 0.00 0.41 -1.61 0.00 0.00 178.31 177.84 1ua2 n GLY 163 N 1.34 -2.45 3.25 -1.45 0.00 -0.61 -3.57 105.19 101.68 1ua2 n GLY 163 Ca -0.03 0.48 -0.42 0.00 0.00 0.00 0.00 46.02 46.04 1ua2 n GLY 163 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ua2 s SER 164 N -2.85 5.84 0.25 1.61 0.01 -0.93 -4.91 113.70 112.72 1ua2 s SER 164 Ca 0.00 -1.84 0.25 0.00 1.31 0.00 0.00 55.95 55.67 1ua2 s SER 164 Cb 0.00 -2.07 0.88 0.00 0.21 0.00 0.00 66.02 65.04 1ua2 s SER 164 CO 0.00 -0.73 1.75 1.55 0.41 0.00 0.00 173.24 176.23 1ua2 h PRO 165 N 8.57 0.00 -6.26 12.44 0.13 -1.74 -3.44 132.00 141.69 1ua2 h PRO 165 Ca -0.24 0.00 -0.55 0.00 -0.87 0.00 0.00 66.00 64.34 1ua2 h PRO 165 Cb 1.08 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.20 1ua2 h PRO 165 CO 0.90 0.00 1.09 1.21 -0.23 0.00 0.00 178.00 180.97 1ua2 s ASN 166 N -4.56 6.66 0.53 1.44 3.04 -1.26 -4.90 114.94 115.89 1ua2 s ASN 166 Ca 0.08 2.24 -0.19 0.00 0.04 0.00 0.00 52.86 55.03 1ua2 s ASN 166 Cb 0.11 -2.53 -0.06 0.00 -1.54 0.00 0.00 41.25 37.22 1ua2 s ASN 166 CO 0.52 -0.93 1.07 -0.13 -3.04 0.00 0.00 177.10 174.59 1ua2 s ARG 167 N 4.05 3.52 0.00 0.43 0.52 -1.26 -4.80 118.95 121.41 1ua2 s ARG 167 Ca 0.74 1.39 0.00 0.00 -0.52 0.00 0.00 55.73 57.34 1ua2 s ARG 167 Cb -0.33 -2.05 0.00 0.00 0.52 0.00 0.00 34.95 33.09 1ua2 s ARG 167 CO 0.30 -0.67 0.00 0.00 0.02 0.00 0.00 175.30 174.94 1ua2 n ALA 168 N -1.37 0.00 -3.85 2.13 0.00 -0.92 -4.97 120.51 111.53 1ua2 n ALA 168 Ca 0.10 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 53.26 1ua2 n ALA 168 Cb 0.52 0.00 -0.17 0.00 0.00 0.00 0.00 19.45 19.81 1ua2 n ALA 168 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 1ua2 s TYR 169 N 0.00 1.47 0.00 0.00 1.51 -1.26 -5.04 117.35 114.03 1ua2 s TYR 169 Ca 0.00 -0.94 0.00 0.00 -1.01 0.00 0.00 57.07 55.12 1ua2 s TYR 169 Cb 0.00 -1.20 0.00 0.00 -0.11 0.00 0.00 41.96 40.65 1ua2 s TYR 169 CO 0.00 -0.58 0.00 -2.39 -1.11 0.00 0.00 175.55 171.47 1ua2 n HIS 171 N 4.94 0.00 -1.37 2.71 1.44 -1.26 -4.92 115.22 116.76 1ua2 n HIS 171 Ca -0.11 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.60 1ua2 n HIS 171 Cb 0.48 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.59 1ua2 n HIS 171 CO 0.00 0.00 0.00 0.94 -2.81 0.00 0.00 176.34 174.47 1ua2 n GLN 172 N 0.00 -3.58 -1.13 -1.40 0.00 -1.26 -4.91 117.38 105.10 1ua2 n GLN 172 Ca 0.00 2.64 -0.34 0.00 -0.00 0.00 0.00 57.00 59.30 1ua2 n GLN 172 Cb 0.00 -2.79 0.13 0.00 0.00 0.00 0.00 30.24 27.57 1ua2 n GLN 172 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.06 177.60 1ua2 s VAL 173 N -1.11 2.02 -0.15 1.69 0.11 -1.26 -4.99 120.40 116.72 1ua2 s VAL 173 Ca 0.00 0.01 0.04 0.00 -2.93 0.00 0.00 61.98 59.10 1ua2 s VAL 173 Cb 0.00 -2.43 -0.23 0.00 -1.53 0.00 0.00 36.38 32.18 1ua2 s VAL 173 CO 0.00 -0.01 0.25 0.52 -3.33 0.00 0.00 175.10 172.54 1ua2 n VAL 174 N -3.26 1.61 -1.46 2.04 0.31 -1.26 -5.10 118.33 111.21 1ua2 n VAL 174 Ca 0.14 -0.70 0.00 0.00 -0.01 0.00 0.00 64.34 63.76 1ua2 n VAL 174 Cb 0.50 -1.29 0.00 0.00 -0.91 0.00 0.00 33.84 32.14 1ua2 n VAL 174 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 1ua2 n THR 175 N -3.21 -1.95 -0.45 2.52 -1.04 -1.26 -4.98 114.28 103.91 1ua2 n THR 175 Ca -0.32 0.00 0.06 0.00 -2.04 0.00 0.00 64.05 61.76 1ua2 n THR 175 Cb 1.05 -3.90 0.17 0.00 -1.82 0.00 0.00 70.33 65.84 1ua2 n THR 175 CO 0.00 0.00 0.00 -2.11 -0.64 0.00 0.00 175.07 172.32 1ua2 n ARG 176 N -0.32 2.85 0.00 -2.82 1.85 -1.26 -4.68 116.66 112.27 1ua2 n ARG 176 Ca 0.00 -2.27 0.08 0.00 -1.00 0.00 0.00 57.85 54.66 1ua2 n ARG 176 Cb 0.00 -1.44 0.48 0.00 -1.05 0.00 0.00 32.46 30.45 1ua2 n ARG 176 CO 0.00 0.00 0.00 0.91 -0.01 0.00 0.00 177.63 178.53 1ua2 n TRP 177 N 0.05 0.00 -0.19 2.89 8.01 -1.26 -2.47 117.44 124.47 1ua2 n TRP 177 Ca 0.14 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.33 1ua2 n TRP 177 Cb 0.56 0.00 0.00 0.00 -2.01 0.00 0.00 31.31 29.86 1ua2 n TRP 177 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.69 177.34 1ua2 n TYR 178 N -1.00 0.00 -2.33 -5.99 4.02 -1.26 -4.55 117.16 106.05 1ua2 n TYR 178 Ca 0.12 -0.34 -0.42 0.00 -0.01 0.00 0.00 57.90 57.25 1ua2 n TYR 178 Cb 0.06 -0.03 -0.03 0.00 -0.02 0.00 0.00 39.34 39.31 1ua2 n TYR 178 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 176.86 176.88 1ua2 s ARG 179 N -0.69 4.39 0.76 -0.72 1.81 -1.03 -3.88 118.95 119.59 1ua2 s ARG 179 Ca 0.00 1.87 -0.15 0.00 -1.72 0.00 0.00 55.73 55.74 1ua2 s ARG 179 Cb 0.00 -3.33 0.04 0.00 -0.45 0.00 0.00 34.95 31.21 1ua2 s ARG 179 CO 0.00 -0.34 1.09 0.00 -0.68 0.00 0.00 175.30 175.37 1ua2 n ALA 180 N 4.05 -0.09 -0.16 2.13 0.00 -1.26 -4.87 120.51 120.31 1ua2 n ALA 180 Ca 0.10 -0.25 0.04 0.00 0.00 0.00 0.00 53.44 53.33 1ua2 n ALA 180 Cb 0.45 -2.19 0.34 0.00 0.00 0.00 0.00 19.45 18.05 1ua2 n ALA 180 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1ua2 h PRO 181 N -0.52 0.77 -0.51 0.00 0.13 -1.94 -1.80 132.00 128.13 1ua2 h PRO 181 Ca -0.47 -0.05 0.01 0.00 -0.87 0.00 0.00 66.00 64.63 1ua2 h PRO 181 Cb 1.32 -0.17 -0.03 0.00 0.13 0.00 0.00 31.00 32.25 1ua2 h PRO 181 CO 0.47 0.51 0.34 1.05 -0.23 0.00 0.00 178.00 180.13 1ua2 h GLU 182 N 0.79 0.64 0.00 0.86 9.09 -1.91 0.36 114.58 124.41 1ua2 h GLU 182 Ca 0.27 -0.04 -0.13 0.00 0.05 0.00 0.00 59.36 59.51 1ua2 h GLU 182 Cb 0.09 -0.15 -0.02 0.00 -1.65 0.00 0.00 28.75 27.03 1ua2 h GLU 182 CO -0.08 0.43 -0.61 -0.07 0.05 0.00 0.00 179.01 178.73 1ua2 h LEU 183 N 0.66 0.00 0.06 3.06 3.38 -1.65 0.33 115.31 121.16 1ua2 h LEU 183 Ca 0.19 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.98 1ua2 h LEU 183 Cb -0.03 0.00 0.02 0.00 0.09 0.00 0.00 40.66 40.74 1ua2 h LEU 183 CO -0.04 0.61 -0.76 -0.07 0.09 0.00 0.00 178.44 178.26 1ua2 h LEU 184 N 0.00 0.56 0.00 1.67 3.38 -0.91 -1.82 115.31 118.19 1ua2 h LEU 184 Ca -0.01 -0.84 0.00 0.00 0.09 0.00 0.00 57.88 57.13 1ua2 h LEU 184 Cb 1.43 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 42.00 1ua2 h LEU 184 CO 0.08 1.34 0.00 0.49 0.09 0.00 0.00 178.44 180.43 1ua2 n PHE 185 N -4.13 0.00 -2.99 1.13 0.99 0.04 -4.85 117.46 107.65 1ua2 n PHE 185 Ca -0.12 0.00 -0.14 0.00 -0.00 0.00 0.00 57.45 57.19 1ua2 n PHE 185 Cb 0.77 0.00 0.04 0.00 -1.00 0.00 0.00 39.48 39.29 1ua2 n PHE 185 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1ua2 n GLY 186 N -0.05 0.01 3.70 1.37 0.00 -0.68 0.20 105.19 109.73 1ua2 n GLY 186 Ca 0.01 -0.16 -0.43 0.00 0.00 0.00 0.00 46.02 45.44 1ua2 n GLY 186 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ua2 n ALA 187 N -3.56 2.32 0.72 4.61 0.00 0.11 -4.49 120.51 120.23 1ua2 n ALA 187 Ca -0.02 0.36 0.07 0.00 0.00 0.00 0.00 53.44 53.85 1ua2 n ALA 187 Cb 0.55 -2.53 0.21 0.00 0.00 0.00 0.00 19.45 17.68 1ua2 n ALA 187 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1ua2 n ARG 188 N 4.73 1.96 -4.01 0.00 5.12 -1.26 -4.75 116.66 118.45 1ua2 n ARG 188 Ca 0.17 -1.49 -0.23 0.00 -1.93 0.00 0.00 57.85 54.38 1ua2 n ARG 188 Cb 0.35 -1.34 -0.17 0.00 -1.16 0.00 0.00 32.46 30.14 1ua2 n ARG 188 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1ua2 s MET 189 N -1.48 0.95 0.22 5.56 0.23 -1.26 -5.16 119.30 118.35 1ua2 s MET 189 Ca 0.29 -0.08 -0.02 0.00 -1.03 0.00 0.00 55.69 54.85 1ua2 s MET 189 Cb 0.15 -1.07 -0.03 0.00 -1.53 0.00 0.00 34.83 32.35 1ua2 s MET 189 CO 0.20 -0.19 0.19 1.52 -2.03 0.00 0.00 175.02 174.72 1ua2 s TYR 190 N 1.42 1.08 0.00 3.16 -0.85 -1.26 -5.04 117.35 115.86 1ua2 s TYR 190 Ca -0.03 -1.30 0.00 0.00 -0.52 0.00 0.00 57.07 55.22 1ua2 s TYR 190 Cb -0.13 -0.46 0.00 0.00 0.38 0.00 0.00 41.96 41.75 1ua2 s TYR 190 CO -0.03 -0.71 0.00 0.41 -1.52 0.00 0.00 175.55 173.70 1ua2 n GLY 191 N -0.31 4.78 0.27 5.49 0.00 -1.26 -5.01 105.19 109.15 1ua2 n GLY 191 Ca 0.02 -0.75 0.00 0.00 0.00 0.00 0.00 46.02 45.28 1ua2 n GLY 191 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1ua2 h VAL 192 N 0.00 0.29 -1.30 1.61 2.07 -1.97 0.23 116.25 117.18 1ua2 h VAL 192 Ca 0.00 0.00 0.38 0.00 0.82 0.00 0.00 66.70 67.90 1ua2 h VAL 192 Cb 0.00 0.29 -0.05 0.00 -1.52 0.00 0.00 31.29 30.01 1ua2 h VAL 192 CO 0.00 0.00 1.20 1.23 0.02 0.00 0.00 177.57 180.02 1ua2 h GLY 193 N -0.02 0.00 0.90 2.17 0.00 -1.88 0.64 103.07 104.88 1ua2 h GLY 193 Ca 0.33 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.60 1ua2 h GLY 193 CO -0.72 0.00 0.00 -2.08 0.00 0.00 0.00 176.54 173.75 1ua2 h VAL 194 N 0.00 1.26 -0.14 4.60 2.07 -0.90 -1.47 116.25 121.67 1ua2 h VAL 194 Ca 0.62 -0.95 -0.16 0.00 0.82 0.00 0.00 66.70 67.03 1ua2 h VAL 194 Cb 3.01 1.23 -0.01 0.00 -1.52 0.00 0.00 31.29 34.01 1ua2 h VAL 194 CO -0.01 0.31 -0.58 0.44 0.02 0.00 0.00 177.57 177.75 1ua2 h ASP 195 N 0.38 0.49 0.48 0.57 3.32 0.12 -2.92 116.42 118.86 1ua2 h ASP 195 Ca 0.09 -0.27 -0.15 0.00 0.02 0.00 0.00 57.03 56.72 1ua2 h ASP 195 Cb 0.44 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.83 1ua2 h ASP 195 CO 0.02 0.96 -0.66 -0.03 -1.72 0.00 0.00 179.24 177.81 1ua2 h MET 196 N 0.33 0.17 -0.19 3.56 4.05 -1.16 0.61 114.93 122.29 1ua2 h MET 196 Ca -0.00 -0.13 -0.02 0.00 -0.28 0.00 0.00 59.70 59.27 1ua2 h MET 196 Cb 1.11 0.02 -0.01 0.00 -0.80 0.00 0.00 31.60 31.93 1ua2 h MET 196 CO 0.10 0.77 0.04 2.35 0.23 0.00 0.00 176.91 180.40 1ua2 h TRP 197 N 0.12 0.33 -0.20 1.39 2.91 -1.25 -0.98 115.95 118.27 1ua2 h TRP 197 Ca -0.01 -0.04 0.01 0.00 1.13 0.00 0.00 58.89 59.98 1ua2 h TRP 197 Cb 1.18 -0.09 -0.02 0.00 -0.51 0.00 0.00 29.16 29.72 1ua2 h TRP 197 CO 0.02 0.44 0.09 0.00 -1.03 0.00 0.00 178.44 177.96 1ua2 h ALA 198 N 0.85 0.24 -1.01 2.65 0.00 -1.19 0.16 119.26 120.96 1ua2 h ALA 198 Ca 0.06 0.01 0.22 0.00 0.00 0.00 0.00 54.91 55.20 1ua2 h ALA 198 Cb 0.28 -0.02 -0.11 0.00 0.00 0.00 0.00 17.79 17.93 1ua2 h ALA 198 CO 0.00 -0.33 0.61 0.28 0.00 0.00 0.00 179.25 179.81 1ua2 h VAL 199 N 0.20 0.61 -0.67 0.00 2.07 -0.80 0.63 116.25 118.29 1ua2 h VAL 199 Ca 0.08 -0.22 -0.00 0.00 0.82 0.00 0.00 66.70 67.38 1ua2 h VAL 199 Cb 0.03 -0.09 -0.03 0.00 -1.52 0.00 0.00 31.29 29.67 1ua2 h VAL 199 CO -0.07 0.12 0.40 1.23 0.02 0.00 0.00 177.57 179.27 1ua2 h GLY 200 N 0.65 0.96 2.00 2.17 0.00 0.69 0.50 103.07 110.04 1ua2 h GLY 200 Ca 0.61 -0.40 -0.12 0.00 0.00 0.00 0.00 47.33 47.43 1ua2 h GLY 200 CO -0.42 0.38 -0.55 0.00 0.00 0.00 0.00 176.54 175.95 1ua2 h ILE 202 N 0.00 1.24 -0.87 0.00 2.04 0.38 -1.28 117.51 119.02 1ua2 h ILE 202 Ca -0.01 -1.69 0.20 0.00 1.00 0.00 0.00 64.86 64.37 1ua2 h ILE 202 Cb 1.09 2.24 -0.12 0.00 -0.74 0.00 0.00 36.82 39.30 1ua2 h ILE 202 CO 0.07 0.38 0.36 0.25 0.00 0.00 0.00 178.15 179.22 1ua2 h LEU 203 N -0.90 0.30 0.30 1.44 5.85 -0.90 0.39 115.31 121.79 1ua2 h LEU 203 Ca -0.01 0.15 -0.00 0.00 0.84 0.00 0.00 57.88 58.86 1ua2 h LEU 203 Cb 0.67 0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.81 1ua2 h LEU 203 CO 0.01 0.02 -0.29 0.00 -0.34 0.00 0.00 178.44 177.84 1ua2 h ALA 204 N 1.68 -0.61 -0.47 1.25 0.00 -1.12 -2.19 119.26 117.80 1ua2 h ALA 204 Ca 0.53 -0.09 0.10 0.00 0.00 0.00 0.00 54.91 55.44 1ua2 h ALA 204 Cb 0.96 0.41 -0.09 0.00 0.00 0.00 0.00 17.79 19.07 1ua2 h ALA 204 CO -0.51 -0.87 -0.14 0.93 0.00 0.00 0.00 179.25 178.66 1ua2 h GLU 205 N -0.61 -0.03 -0.46 0.00 5.08 0.91 0.49 114.58 119.97 1ua2 h GLU 205 Ca -0.01 0.00 0.08 0.00 -1.00 0.00 0.00 59.36 58.43 1ua2 h GLU 205 Cb 0.56 0.01 -0.10 0.00 0.50 0.00 0.00 28.75 29.72 1ua2 h GLU 205 CO -0.05 -0.02 -0.39 -0.07 -1.00 0.00 0.00 179.01 177.48 1ua2 h LEU 206 N -0.03 -1.29 -0.67 1.33 4.07 -0.99 2.77 115.31 120.50 1ua2 h LEU 206 Ca 0.23 0.22 -0.14 0.00 0.08 0.00 0.00 57.88 58.26 1ua2 h LEU 206 Cb 0.38 0.59 -0.01 0.00 1.08 0.00 0.00 40.66 42.69 1ua2 h LEU 206 CO -0.50 -0.34 -0.63 -0.07 -1.08 0.00 0.00 178.44 175.81 1ua2 h LEU 207 N -0.27 0.16 0.00 1.67 3.38 -0.40 -3.22 115.31 116.64 1ua2 h LEU 207 Ca 0.17 -0.09 -0.12 0.00 0.09 0.00 0.00 57.88 57.93 1ua2 h LEU 207 Cb 0.56 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.25 1ua2 h LEU 207 CO -0.60 0.75 -1.79 0.18 0.09 0.00 0.00 178.44 177.07 1ua2 n LEU 208 N -3.82 0.34 0.00 1.67 4.77 0.16 -4.96 117.00 115.15 1ua2 n LEU 208 Ca -0.02 0.14 0.00 0.00 -0.03 0.00 0.00 56.01 56.10 1ua2 n LEU 208 Cb 0.63 0.11 0.00 0.00 -2.33 0.00 0.00 43.42 41.84 1ua2 n LEU 208 CO 0.44 0.11 0.00 0.54 -1.33 0.00 0.00 177.39 177.15 1ua2 n ARG 209 N -2.58 0.00 -4.30 3.23 5.12 0.92 -4.92 116.66 114.13 1ua2 n ARG 209 Ca -0.11 0.00 -0.25 0.00 -1.93 0.00 0.00 57.85 55.56 1ua2 n ARG 209 Cb 0.75 -4.31 -0.09 0.00 -1.16 0.00 0.00 32.46 27.66 1ua2 n ARG 209 CO 0.00 0.00 0.00 0.14 -1.93 0.00 0.00 177.63 175.84 1ua2 s VAL 210 N -1.01 3.22 0.10 1.55 -7.23 -1.25 -4.75 120.40 111.02 1ua2 s VAL 210 Ca 0.00 -1.79 -0.36 0.00 -1.81 0.00 0.00 61.98 58.02 1ua2 s VAL 210 Cb 0.00 -2.64 -0.17 0.00 0.56 0.00 0.00 36.38 34.12 1ua2 s VAL 210 CO 0.00 -0.21 1.17 -2.65 -0.31 0.00 0.00 175.10 173.10 1ua2 n PRO 211 N -0.30 0.80 0.05 4.82 -0.02 -1.26 -4.27 135.00 134.82 1ua2 n PRO 211 Ca -0.09 0.29 -0.12 0.00 -2.02 0.00 0.00 63.50 61.55 1ua2 n PRO 211 Cb 0.57 -1.82 -0.09 0.00 -0.02 0.00 0.00 33.50 32.14 1ua2 n PRO 211 CO 0.00 0.00 0.00 0.35 1.98 0.00 0.00 175.50 177.83 1ua2 h PHE 212 N 3.62 -0.16 -2.41 6.00 3.57 -1.89 -3.40 116.94 122.28 1ua2 h PHE 212 Ca -0.46 -0.00 -0.60 0.00 3.53 0.00 0.00 57.97 60.44 1ua2 h PHE 212 Cb 1.37 0.05 -0.41 0.00 2.79 0.00 0.00 35.95 39.75 1ua2 h PHE 212 CO 0.56 0.28 -0.70 1.28 -2.23 0.00 0.00 178.31 177.50 1ua2 n LEU 213 N -4.94 2.63 -3.47 0.59 4.77 -1.26 -5.03 117.00 110.28 1ua2 n LEU 213 Ca -0.08 -5.17 -0.37 0.00 -0.03 0.00 0.00 56.01 50.35 1ua2 n LEU 213 Cb 0.26 -0.37 -0.02 0.00 -2.33 0.00 0.00 43.42 40.95 1ua2 n LEU 213 CO 0.30 1.96 2.72 -0.81 -1.33 0.00 0.00 177.39 180.24 1ua2 n PRO 214 N 1.40 2.68 -2.42 3.23 -0.04 -1.26 -4.61 135.00 133.98 1ua2 n PRO 214 Ca 0.26 -2.09 -0.34 0.00 -0.04 0.00 0.00 63.50 61.28 1ua2 n PRO 214 Cb 0.42 -2.90 -0.02 0.00 -0.04 0.00 0.00 33.50 30.97 1ua2 n PRO 214 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 1ua2 s GLY 215 N 3.29 2.56 0.00 0.55 0.00 -1.26 -4.96 107.32 107.50 1ua2 s GLY 215 Ca 0.54 0.70 0.29 0.00 0.00 0.00 0.00 44.72 46.26 1ua2 s GLY 215 CO -0.03 1.03 1.97 1.22 0.00 0.00 0.00 173.10 177.29 1ua2 n ASP 216 N -1.12 0.03 -3.62 1.64 8.00 -1.26 -4.77 116.55 115.45 1ua2 n ASP 216 Ca 0.10 0.17 -0.03 0.00 0.71 0.00 0.00 54.79 55.73 1ua2 n ASP 216 Cb 0.52 -0.37 -0.03 0.00 -0.02 0.00 0.00 41.12 41.22 1ua2 n ASP 216 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1ua2 s SER 217 N -2.80 -0.09 0.19 -2.24 1.04 -1.26 -4.99 113.70 103.56 1ua2 s SER 217 Ca 0.21 0.03 -0.14 0.00 0.48 0.00 0.00 55.95 56.53 1ua2 s SER 217 Cb 0.20 0.09 0.19 0.00 0.10 0.00 0.00 66.02 66.59 1ua2 s SER 217 CO 0.50 -0.13 1.67 0.44 0.98 0.00 0.00 173.24 176.71 1ua2 h ASP 218 N 2.04 -0.27 -0.19 7.02 3.32 -1.96 0.44 116.42 126.81 1ua2 h ASP 218 Ca -0.07 0.13 0.00 0.00 0.02 0.00 0.00 57.03 57.11 1ua2 h ASP 218 Cb 1.16 0.24 -0.01 0.00 0.22 0.00 0.00 39.33 40.94 1ua2 h ASP 218 CO 0.22 -0.10 0.12 0.25 -1.72 0.00 0.00 179.24 178.01 1ua2 h LEU 219 N 0.09 0.22 -0.77 1.55 5.85 -1.96 0.46 115.31 120.75 1ua2 h LEU 219 Ca 0.26 -0.02 0.08 0.00 0.84 0.00 0.00 57.88 59.03 1ua2 h LEU 219 Cb 0.39 -0.06 -0.06 0.00 0.37 0.00 0.00 40.66 41.30 1ua2 h LEU 219 CO -0.45 0.18 0.44 -0.78 -0.34 0.00 0.00 178.44 177.49 1ua2 h ASP 220 N 0.25 0.65 -0.20 1.25 3.58 -1.88 -0.14 116.42 119.93 1ua2 h ASP 220 Ca 0.07 0.04 -0.01 0.00 0.42 0.00 0.00 57.03 57.55 1ua2 h ASP 220 Cb -0.01 -0.09 -0.01 0.00 1.72 0.00 0.00 39.33 40.94 1ua2 h ASP 220 CO -0.01 0.40 0.10 -0.61 -2.88 0.00 0.00 179.24 176.23 1ua2 h GLN 221 N 0.78 0.29 -0.95 0.28 5.75 0.13 -0.79 115.11 120.59 1ua2 h GLN 221 Ca 0.36 -0.04 0.11 0.00 -0.15 0.00 0.00 58.65 58.93 1ua2 h GLN 221 Cb 0.26 -0.05 -0.07 0.00 1.07 0.00 0.00 27.48 28.69 1ua2 h GLN 221 CO -0.21 0.30 0.61 -0.07 -2.65 0.00 0.00 178.83 176.81 1ua2 h LEU 222 N 0.20 0.86 0.30 -2.39 3.38 0.18 -1.10 115.31 116.74 1ua2 h LEU 222 Ca 0.07 0.04 -0.00 0.00 0.09 0.00 0.00 57.88 58.07 1ua2 h LEU 222 Cb 0.11 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 1ua2 h LEU 222 CO -0.01 0.48 -0.23 0.74 0.09 0.00 0.00 178.44 179.50 1ua2 h THR 223 N 0.93 0.50 -0.80 0.22 2.02 0.33 -1.19 112.91 114.92 1ua2 h THR 223 Ca 0.46 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.65 1ua2 h THR 223 Cb 0.47 0.50 -0.04 0.00 -1.74 0.00 0.00 68.15 67.34 1ua2 h THR 223 CO -0.22 0.00 0.53 0.03 0.37 0.00 0.00 175.52 176.23 1ua2 h ARG 224 N -0.54 1.04 -0.22 6.66 3.08 -0.86 0.12 114.38 123.66 1ua2 h ARG 224 Ca -0.02 -0.06 0.05 0.00 0.07 0.00 0.00 59.98 60.02 1ua2 h ARG 224 Cb 0.48 -0.23 -0.05 0.00 0.08 0.00 0.00 29.97 30.24 1ua2 h ARG 224 CO -0.01 0.69 -0.12 0.82 -1.07 0.00 0.00 179.97 180.27 1ua2 h ILE 225 N 1.07 0.62 -0.00 2.04 2.04 -0.91 -2.32 117.51 120.06 1ua2 h ILE 225 Ca 0.30 0.00 -0.25 0.00 1.00 0.00 0.00 64.86 65.91 1ua2 h ILE 225 Cb -0.10 0.62 0.01 0.00 -0.74 0.00 0.00 36.82 36.62 1ua2 h ILE 225 CO -0.07 0.00 -1.00 -0.26 0.00 0.00 0.00 178.15 176.82 1ua2 h PHE 226 N -0.11 0.85 0.00 1.37 0.04 0.13 0.21 116.94 119.43 1ua2 h PHE 226 Ca 0.12 -0.46 -0.08 0.00 2.80 0.00 0.00 57.97 60.35 1ua2 h PHE 226 Cb 0.29 -0.10 -0.01 0.00 2.20 0.00 0.00 35.95 38.33 1ua2 h PHE 226 CO -0.29 1.29 -0.36 1.05 -0.60 0.00 0.00 178.31 179.40 1ua2 h GLU 227 N 0.32 0.00 0.13 1.51 4.11 -0.89 0.29 114.58 120.05 1ua2 h GLU 227 Ca -0.11 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.32 1ua2 h GLU 227 Cb 1.64 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.90 1ua2 h GLU 227 CO 0.19 0.36 -0.06 1.15 0.07 0.00 0.00 179.01 180.72 1ua2 h THR 228 N 0.00 0.00 0.00 -1.06 2.02 -1.44 -3.36 112.91 109.07 1ua2 h THR 228 Ca -0.00 -0.79 0.00 0.00 0.77 0.00 0.00 66.41 66.39 1ua2 h THR 228 Cb 1.00 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.41 1ua2 h THR 228 CO 0.05 0.00 -0.36 0.18 0.37 0.00 0.00 175.52 175.76 1ua2 n LEU 229 N -4.64 0.44 0.00 2.58 4.77 0.72 -0.59 117.00 120.27 1ua2 n LEU 229 Ca -0.02 0.22 0.00 0.00 -0.03 0.00 0.00 56.01 56.18 1ua2 n LEU 229 Cb 0.07 -0.31 0.00 0.00 -2.33 0.00 0.00 43.42 40.85 1ua2 n LEU 229 CO 0.05 0.03 0.00 0.61 -1.33 0.00 0.00 177.39 176.75 1ua2 n GLY 230 N 1.45 1.51 3.71 -0.72 0.00 0.10 -4.68 105.19 106.57 1ua2 n GLY 230 Ca 0.05 -1.72 -0.42 0.00 0.00 0.00 0.00 46.02 43.93 1ua2 n GLY 230 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ua2 s THR 231 N -2.49 4.54 0.14 2.61 2.01 -0.59 -4.50 115.64 117.36 1ua2 s THR 231 Ca 0.00 1.84 -0.30 0.00 0.31 0.00 0.00 61.69 63.53 1ua2 s THR 231 Cb 0.00 -4.18 -0.07 0.00 0.01 0.00 0.00 72.50 68.26 1ua2 s THR 231 CO 0.00 0.15 1.20 -2.84 -0.69 0.00 0.00 174.62 172.44 1ua2 s PRO 232 N 0.97 4.47 1.06 4.92 0.02 -1.26 -4.84 135.00 140.34 1ua2 s PRO 232 Ca 0.54 1.83 -0.17 0.00 0.02 0.00 0.00 61.00 63.22 1ua2 s PRO 232 Cb -0.24 -3.28 0.23 0.00 0.02 0.00 0.00 34.50 31.23 1ua2 s PRO 232 CO 0.29 -0.15 1.21 0.95 -0.33 0.00 0.00 177.00 178.97 1ua2 s THR 233 N 0.38 1.83 0.26 0.99 -4.23 -1.26 -4.80 115.64 108.80 1ua2 s THR 233 Ca 0.55 0.00 0.09 0.00 -1.18 0.00 0.00 61.69 61.15 1ua2 s THR 233 Cb -0.31 -2.76 -0.04 0.00 1.34 0.00 0.00 72.50 70.73 1ua2 s THR 233 CO 0.33 0.00 1.59 -0.08 -0.54 0.00 0.00 174.62 175.92 1ua2 h GLU 234 N -2.03 0.05 -0.19 3.99 4.57 -1.96 -2.36 114.58 116.64 1ua2 h GLU 234 Ca -0.45 -0.04 0.04 0.00 -1.18 0.00 0.00 59.36 57.73 1ua2 h GLU 234 Cb 1.27 0.01 -0.04 0.00 -0.16 0.00 0.00 28.75 29.83 1ua2 h GLU 234 CO 0.39 0.66 -0.07 1.49 -1.18 0.00 0.00 179.01 180.30 1ua2 h GLU 235 N 0.03 -0.03 0.02 1.92 4.22 -2.00 -2.94 114.58 115.80 1ua2 h GLU 235 Ca -0.01 0.00 -0.00 0.00 0.08 0.00 0.00 59.36 59.43 1ua2 h GLU 235 Cb 1.12 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.38 1ua2 h GLU 235 CO 0.09 -0.02 -0.01 1.96 -2.18 0.00 0.00 179.01 178.85 1ua2 h GLN 236 N -0.03 -0.02 -4.70 1.92 4.20 -1.89 -3.40 115.11 111.19 1ua2 h GLN 236 Ca 0.10 0.00 -0.68 0.00 0.06 0.00 0.00 58.65 58.12 1ua2 h GLN 236 Cb 0.18 0.01 -0.21 0.00 0.30 0.00 0.00 27.48 27.76 1ua2 h GLN 236 CO -0.21 -0.02 -0.50 -0.46 -0.67 0.00 0.00 178.83 176.97 1ua2 s TRP 237 N -2.68 3.22 0.15 2.96 -0.11 -0.90 -4.47 118.94 117.10 1ua2 s TRP 237 Ca -0.00 -0.42 -0.10 0.00 1.22 0.00 0.00 56.10 56.80 1ua2 s TRP 237 Cb 0.00 -2.45 -0.06 0.00 -1.50 0.00 0.00 33.47 29.45 1ua2 s TRP 237 CO 0.01 -0.44 0.47 -1.25 -4.62 0.00 0.00 176.95 171.12 1ua2 s PRO 238 N 1.67 3.79 0.00 5.86 0.04 -1.11 -3.98 135.00 141.28 1ua2 s PRO 238 Ca 0.05 0.22 0.00 0.00 0.04 0.00 0.00 61.00 61.31 1ua2 s PRO 238 Cb -0.18 -2.86 0.00 0.00 0.04 0.00 0.00 34.50 31.51 1ua2 s PRO 238 CO 0.09 0.46 0.00 -3.47 0.04 0.00 0.00 177.00 174.12 1ua2 n ASP 239 N 0.45 0.00 -0.15 6.66 4.64 -1.26 -4.90 116.55 121.99 1ua2 n ASP 239 Ca -0.04 0.00 0.28 0.00 -1.38 0.00 0.00 54.79 53.65 1ua2 n ASP 239 Cb 0.52 0.00 0.70 0.00 -1.04 0.00 0.00 41.12 41.30 1ua2 n ASP 239 CO 0.00 0.00 0.00 -0.03 -0.82 0.00 0.00 177.20 176.35 1ua2 h MET 240 N 2.94 0.00 0.00 -0.67 1.85 -1.94 -3.02 114.93 114.08 1ua2 h MET 240 Ca 0.00 0.00 -0.27 0.00 -0.61 0.00 0.00 59.70 58.82 1ua2 h MET 240 Cb 0.00 0.00 -0.05 0.00 0.43 0.00 0.00 31.60 31.98 1ua2 h MET 240 CO 0.00 0.00 -1.63 0.00 -0.40 0.00 0.00 176.91 174.88 1ua2 n SER 242 N -3.02 1.08 -4.60 0.00 3.41 -1.14 -4.68 113.62 104.66 1ua2 n SER 242 Ca -0.15 -1.04 -0.54 0.00 -0.26 0.00 0.00 58.87 56.88 1ua2 n SER 242 Cb 1.01 0.06 -0.06 0.00 -0.26 0.00 0.00 64.21 64.96 1ua2 n SER 242 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 1ua2 n LEU 243 N -0.44 1.57 -0.23 1.04 7.94 -1.24 -4.88 117.00 120.75 1ua2 n LEU 243 Ca 0.15 1.12 -0.04 0.00 -1.11 0.00 0.00 56.01 56.13 1ua2 n LEU 243 Cb 0.33 -1.15 0.02 0.00 0.53 0.00 0.00 43.42 43.16 1ua2 n LEU 243 CO 0.22 -1.04 0.63 -0.65 -1.11 0.00 0.00 177.39 175.45 1ua2 h PRO 244 N 4.81 -0.12 -0.63 1.96 0.11 -1.78 -1.59 132.00 134.76 1ua2 h PRO 244 Ca -0.48 0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1ua2 h PRO 244 Cb 1.34 0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.48 1ua2 h PRO 244 CO 0.80 -0.08 0.00 -0.25 -0.21 0.00 0.00 178.00 178.26 1ua2 n ASP 245 N -5.44 3.92 -4.74 -2.05 8.00 0.13 -4.96 116.55 111.41 1ua2 n ASP 245 Ca 0.06 -2.40 -0.42 0.00 0.71 0.00 0.00 54.79 52.74 1ua2 n ASP 245 Cb 0.36 -0.53 -0.02 0.00 -0.02 0.00 0.00 41.12 40.91 1ua2 n ASP 245 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 1ua2 s TYR 246 N -1.87 2.80 0.01 1.24 5.04 -0.60 -4.81 117.35 119.16 1ua2 s TYR 246 Ca 0.40 0.59 -0.04 0.00 -2.44 0.00 0.00 57.07 55.58 1ua2 s TYR 246 Cb 0.26 -4.11 -0.01 0.00 0.35 0.00 0.00 41.96 38.45 1ua2 s TYR 246 CO 0.18 -3.94 0.05 0.54 -1.34 0.00 0.00 175.55 171.04 1ua2 s VAL 247 N 0.47 0.10 0.32 3.14 0.11 -1.26 -5.02 120.40 118.26 1ua2 s VAL 247 Ca 0.68 -0.83 -0.27 0.00 -2.93 0.00 0.00 61.98 58.63 1ua2 s VAL 247 Cb -0.49 -0.38 -0.09 0.00 -1.53 0.00 0.00 36.38 33.89 1ua2 s VAL 247 CO 0.42 -0.46 1.00 -0.89 -3.33 0.00 0.00 175.10 171.84 1ua2 s THR 248 N -1.51 3.93 -0.02 5.04 2.01 -1.26 -5.06 115.64 118.78 1ua2 s THR 248 Ca -0.15 1.68 0.07 0.00 0.31 0.00 0.00 61.69 63.60 1ua2 s THR 248 Cb -0.08 -3.96 -0.02 0.00 0.01 0.00 0.00 72.50 68.44 1ua2 s THR 248 CO -0.00 0.20 -0.24 -0.36 -0.69 0.00 0.00 174.62 173.52 1ua2 s PHE 249 N -1.48 2.38 0.29 4.92 0.40 -1.26 -5.11 117.98 118.12 1ua2 s PHE 249 Ca 0.50 -0.40 -0.26 0.00 -0.60 0.00 0.00 56.93 56.17 1ua2 s PHE 249 Cb -0.23 -1.51 -0.16 0.00 0.51 0.00 0.00 43.02 41.63 1ua2 s PHE 249 CO 0.29 -0.00 0.45 1.17 0.70 0.00 0.00 175.22 177.83 1ua2 n LYS 250 N 2.40 0.18 -3.07 0.44 4.81 -1.26 -4.80 118.16 116.86 1ua2 n LYS 250 Ca -0.16 0.07 -0.45 0.00 -0.87 0.00 0.00 58.31 56.90 1ua2 n LYS 250 Cb 0.51 -1.13 -0.01 0.00 0.02 0.00 0.00 35.03 34.42 1ua2 n LYS 250 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 1ua2 s SER 251 N -0.95 6.87 0.44 3.14 0.15 -1.26 -4.81 113.70 117.28 1ua2 s SER 251 Ca 0.62 -2.65 -0.23 0.00 0.70 0.00 0.00 55.95 54.40 1ua2 s SER 251 Cb -0.80 -2.34 -0.08 0.00 -1.71 0.00 0.00 66.02 61.09 1ua2 s SER 251 CO 0.58 -0.77 1.09 -0.36 1.20 0.00 0.00 173.24 174.98 1ua2 s PHE 252 N 1.35 3.07 -0.42 3.44 0.40 -1.26 -4.85 117.98 119.71 1ua2 s PHE 252 Ca 0.32 1.59 0.23 0.00 -0.60 0.00 0.00 56.93 58.48 1ua2 s PHE 252 Cb -0.06 -3.20 0.22 0.00 0.51 0.00 0.00 43.02 40.49 1ua2 s PHE 252 CO -0.07 -0.98 1.29 -1.00 0.70 0.00 0.00 175.22 175.16 1ua2 h PRO 253 N 2.13 0.00 -1.92 0.24 0.13 -1.88 -1.57 132.00 129.14 1ua2 h PRO 253 Ca -0.49 0.00 0.19 0.00 -0.87 0.00 0.00 66.00 64.83 1ua2 h PRO 253 Cb 1.23 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 32.25 1ua2 h PRO 253 CO 0.61 0.00 -0.70 0.41 -0.23 0.00 0.00 178.00 178.09 1ua2 n GLY 254 N 1.22 -3.05 3.81 1.56 0.00 -1.26 -4.52 105.19 102.95 1ua2 n GLY 254 Ca 0.02 -1.23 -0.36 0.00 0.00 0.00 0.00 46.02 44.45 1ua2 n GLY 254 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ua2 s ILE 255 N -3.72 5.46 0.23 -0.61 1.01 0.25 -4.84 121.20 118.98 1ua2 s ILE 255 Ca 0.00 0.21 -0.30 0.00 0.00 0.00 0.00 60.65 60.56 1ua2 s ILE 255 Cb 0.00 -3.44 -0.10 0.00 0.01 0.00 0.00 42.46 38.94 1ua2 s ILE 255 CO 0.00 0.53 1.41 -2.84 0.00 0.00 0.00 174.94 174.05 1ua2 s PRO 256 N -0.37 4.29 0.36 2.79 0.02 -1.26 -4.79 135.00 136.05 1ua2 s PRO 256 Ca 0.12 2.24 0.16 0.00 0.02 0.00 0.00 61.00 63.54 1ua2 s PRO 256 Cb -0.12 -3.14 1.09 0.00 0.02 0.00 0.00 34.50 32.36 1ua2 s PRO 256 CO 0.01 -0.39 1.70 -0.07 -0.33 0.00 0.00 177.00 177.92 1ua2 h LEU 257 N 5.27 0.50 -1.97 -5.54 3.38 -1.96 0.72 115.31 115.71 1ua2 h LEU 257 Ca -0.45 0.14 -0.02 0.00 0.09 0.00 0.00 57.88 57.64 1ua2 h LEU 257 Cb 1.22 0.08 -0.00 0.00 0.09 0.00 0.00 40.66 42.04 1ua2 h LEU 257 CO 0.79 -0.03 -0.08 1.12 0.09 0.00 0.00 178.44 180.33 1ua2 h HIS 258 N 0.37 0.00 0.00 1.13 2.07 -1.88 0.60 115.15 117.44 1ua2 h HIS 258 Ca 0.69 0.00 -0.07 0.00 -2.85 0.00 0.00 60.37 58.14 1ua2 h HIS 258 Cb 1.64 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 31.61 1ua2 h HIS 258 CO -0.01 0.08 -0.49 0.45 -3.07 0.00 0.00 177.93 174.89 1ua2 h HIS 259 N 0.00 0.00 0.23 6.12 3.86 0.11 -3.19 115.15 122.28 1ua2 h HIS 259 Ca -0.00 0.00 -0.33 0.00 -1.16 0.00 0.00 60.37 58.88 1ua2 h HIS 259 Cb 0.33 0.00 0.03 0.00 1.06 0.00 0.00 27.41 28.83 1ua2 h HIS 259 CO 0.00 0.31 -1.52 0.82 0.86 0.00 0.00 177.93 178.40 1ua2 h ILE 260 N 0.00 1.19 -3.06 2.45 2.04 -0.06 -3.41 117.51 116.66 1ua2 h ILE 260 Ca -0.02 -2.63 -0.63 0.00 1.00 0.00 0.00 64.86 62.58 1ua2 h ILE 260 Cb 1.25 2.97 -0.41 0.00 -0.74 0.00 0.00 36.82 39.89 1ua2 h ILE 260 CO 0.04 0.82 -0.49 0.49 0.00 0.00 0.00 178.15 179.00 1ua2 n PHE 261 N -3.72 3.44 -0.15 1.37 3.01 0.17 -4.93 117.46 116.65 1ua2 n PHE 261 Ca -0.19 -4.27 -0.04 0.00 1.01 0.00 0.00 57.45 53.95 1ua2 n PHE 261 Cb 1.08 -0.70 0.05 0.00 -0.01 0.00 0.00 39.48 39.89 1ua2 n PHE 261 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 1ua2 h SER 262 N 5.38 0.21 -0.85 4.37 4.64 -1.79 -1.98 113.55 123.53 1ua2 h SER 262 Ca 0.16 0.05 0.22 0.00 -0.47 0.00 0.00 61.79 61.74 1ua2 h SER 262 Cb 0.75 0.02 -0.05 0.00 -0.31 0.00 0.00 62.40 62.81 1ua2 h SER 262 CO 0.75 0.16 0.59 0.00 -0.87 0.00 0.00 176.83 177.45 1ua2 h ALA 263 N 1.29 2.51 -2.81 5.18 0.00 -1.91 -3.44 119.26 120.08 1ua2 h ALA 263 Ca 0.22 -0.01 -0.52 0.00 0.00 0.00 0.00 54.91 54.60 1ua2 h ALA 263 Cb 0.20 0.02 0.04 0.00 0.00 0.00 0.00 17.79 18.05 1ua2 h ALA 263 CO -0.20 -0.76 0.59 0.00 0.00 0.00 0.00 179.25 178.88 1ua2 s ALA 264 N -5.19 3.48 0.61 0.00 0.00 -0.75 -5.04 121.76 114.88 1ua2 s ALA 264 Ca -0.06 1.12 -0.06 0.00 0.00 0.00 0.00 51.96 52.96 1ua2 s ALA 264 Cb 0.22 -3.44 0.02 0.00 0.00 0.00 0.00 23.12 19.92 1ua2 s ALA 264 CO 0.77 -0.48 0.92 0.20 0.00 0.00 0.00 175.76 177.18 1ua2 s GLY 265 N -0.40 1.63 0.20 0.00 0.00 -1.26 -4.89 107.32 102.60 1ua2 s GLY 265 Ca 0.49 -0.77 -0.09 0.00 0.00 0.00 0.00 44.72 44.36 1ua2 s GLY 265 CO 0.46 -0.46 1.74 -1.80 0.00 0.00 0.00 173.10 173.04 1ua2 h ASP 266 N -0.26 1.05 -0.91 1.64 1.82 -1.97 0.12 116.42 117.90 1ua2 h ASP 266 Ca -0.45 -0.20 0.04 0.00 -0.39 0.00 0.00 57.03 56.02 1ua2 h ASP 266 Cb 1.27 -0.27 -0.05 0.00 0.68 0.00 0.00 39.33 40.95 1ua2 h ASP 266 CO 0.60 0.97 0.60 -2.24 -1.61 0.00 0.00 179.24 177.56 1ua2 h ASP 267 N 1.06 0.98 0.01 2.28 2.03 -1.99 -0.04 116.42 120.75 1ua2 h ASP 267 Ca 0.23 -0.01 -0.11 0.00 -0.73 0.00 0.00 57.03 56.41 1ua2 h ASP 267 Cb 0.29 -0.23 0.01 0.00 -0.83 0.00 0.00 39.33 38.58 1ua2 h ASP 267 CO -0.01 0.67 -0.45 0.25 -1.03 0.00 0.00 179.24 178.68 1ua2 h LEU 268 N 1.14 0.37 -1.17 0.15 5.85 -1.76 -3.05 115.31 116.85 1ua2 h LEU 268 Ca 0.36 -0.79 0.32 0.00 0.84 0.00 0.00 57.88 58.61 1ua2 h LEU 268 Cb 0.02 -0.12 -0.13 0.00 0.37 0.00 0.00 40.66 40.81 1ua2 h LEU 268 CO -0.11 1.12 0.65 -0.07 -0.34 0.00 0.00 178.44 179.69 1ua2 h LEU 269 N -0.33 0.48 -0.76 2.25 4.07 -0.60 0.27 115.31 120.67 1ua2 h LEU 269 Ca -0.06 0.14 -0.13 0.00 0.08 0.00 0.00 57.88 57.91 1ua2 h LEU 269 Cb 1.20 0.09 -0.02 0.00 1.08 0.00 0.00 40.66 43.01 1ua2 h LEU 269 CO 0.09 -0.05 -0.59 0.44 -1.08 0.00 0.00 178.44 177.24 1ua2 h ASP 270 N 0.34 0.09 -0.01 -0.43 3.32 -0.90 0.68 116.42 119.51 1ua2 h ASP 270 Ca 0.70 -0.05 -0.02 0.00 0.02 0.00 0.00 57.03 57.68 1ua2 h ASP 270 Cb 1.72 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 41.25 1ua2 h ASP 270 CO -0.47 0.66 -0.07 0.25 -1.72 0.00 0.00 179.24 177.89 1ua2 h LEU 271 N 0.06 0.08 -0.84 1.55 5.85 -0.67 -2.38 115.31 118.96 1ua2 h LEU 271 Ca -0.01 -0.71 0.19 0.00 0.84 0.00 0.00 57.88 58.19 1ua2 h LEU 271 Cb 1.07 -0.02 -0.11 0.00 0.37 0.00 0.00 40.66 41.96 1ua2 h LEU 271 CO 0.08 0.77 0.34 0.40 -0.34 0.00 0.00 178.44 179.70 1ua2 h ILE 272 N -0.61 0.54 -0.08 4.05 2.04 -0.51 -1.27 117.51 121.67 1ua2 h ILE 272 Ca -0.01 -0.14 0.01 0.00 1.00 0.00 0.00 64.86 65.73 1ua2 h ILE 272 Cb 0.78 0.10 -0.03 0.00 -0.74 0.00 0.00 36.82 36.92 1ua2 h ILE 272 CO 0.01 0.07 -0.24 -0.61 0.00 0.00 0.00 178.15 177.39 1ua2 h GLN 273 N 0.41 -0.24 -0.96 2.37 5.75 -0.81 -1.72 115.11 119.91 1ua2 h GLN 273 Ca 0.50 0.02 0.05 0.00 -0.15 0.00 0.00 58.65 59.06 1ua2 h GLN 273 Cb 0.87 0.05 -0.06 0.00 1.07 0.00 0.00 27.48 29.41 1ua2 h GLN 273 CO -0.49 -0.16 0.63 0.78 -2.65 0.00 0.00 178.83 176.94 1ua2 h GLY 274 N -0.25 1.41 1.94 2.39 0.00 -0.83 -2.17 103.07 105.55 1ua2 h GLY 274 Ca 0.02 -0.47 -0.08 0.00 0.00 0.00 0.00 47.33 46.80 1ua2 h GLY 274 CO -0.21 0.38 -0.33 1.41 0.00 0.00 0.00 176.54 177.79 1ua2 h LEU 275 N 1.18 0.07 -1.75 3.11 3.38 -0.89 -2.20 115.31 118.21 1ua2 h LEU 275 Ca 0.39 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.34 1ua2 h LEU 275 Cb 0.07 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.80 1ua2 h LEU 275 CO -0.13 0.40 0.00 0.49 0.09 0.00 0.00 178.44 179.29 1ua2 n PHE 276 N -4.13 0.15 -1.60 1.13 3.01 -0.68 -4.08 117.46 111.26 1ua2 n PHE 276 Ca -0.02 -0.08 -0.42 0.00 1.01 0.00 0.00 57.45 57.94 1ua2 n PHE 276 Cb 0.39 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.86 1ua2 n PHE 276 CO 0.00 0.00 0.00 1.28 1.01 0.00 0.00 176.76 179.05 1ua2 n LEU 277 N 1.05 2.27 0.12 4.37 4.77 -0.95 -4.83 117.00 123.81 1ua2 n LEU 277 Ca 0.17 1.08 -0.21 0.00 -0.03 0.00 0.00 56.01 57.01 1ua2 n LEU 277 Cb 0.53 -1.33 -0.14 0.00 -2.33 0.00 0.00 43.42 40.14 1ua2 n LEU 277 CO 0.15 -1.49 -0.14 -0.26 -1.33 0.00 0.00 177.39 174.33 1ua2 h PHE 278 N 1.67 0.84 -3.05 -1.77 -1.00 -1.92 -3.43 116.94 108.29 1ua2 h PHE 278 Ca -0.43 -0.59 -0.57 0.00 2.81 0.00 0.00 57.97 59.19 1ua2 h PHE 278 Cb 1.34 -0.04 -0.04 0.00 3.61 0.00 0.00 35.95 40.81 1ua2 h PHE 278 CO 0.45 1.45 1.08 1.21 -1.61 0.00 0.00 178.31 180.88 1ua2 s ASN 279 N -7.42 6.40 0.61 2.17 2.47 -1.26 -4.84 114.94 113.07 1ua2 s ASN 279 Ca -0.07 1.19 0.27 0.00 0.42 0.00 0.00 52.86 54.66 1ua2 s ASN 279 Cb 0.05 -2.54 1.29 0.00 -1.45 0.00 0.00 41.25 38.60 1ua2 s ASN 279 CO 0.92 -1.31 1.70 -0.65 -3.72 0.00 0.00 177.10 174.04 1ua2 h PRO 280 N 10.52 0.00 0.20 0.43 0.11 -1.95 -0.69 132.00 140.62 1ua2 h PRO 280 Ca -0.29 0.00 -0.30 0.00 0.11 0.00 0.00 66.00 65.52 1ua2 h PRO 280 Cb 1.12 0.00 0.03 0.00 0.11 0.00 0.00 31.00 32.26 1ua2 h PRO 280 CO 1.04 0.00 -1.37 0.00 -0.21 0.00 0.00 178.00 177.46 1ua2 h ALA 282 N 0.10 1.56 -2.63 0.00 0.00 -1.54 -3.43 119.26 113.32 1ua2 h ALA 282 Ca -0.25 -0.04 -0.52 0.00 0.00 0.00 0.00 54.91 54.10 1ua2 h ALA 282 Cb 1.99 -0.01 0.05 0.00 0.00 0.00 0.00 17.79 19.83 1ua2 h ALA 282 CO 0.21 0.05 0.97 0.50 0.00 0.00 0.00 179.25 180.98 1ua2 s ARG 283 N -4.61 4.16 0.51 0.00 3.52 -0.77 -4.87 118.95 116.89 1ua2 s ARG 283 Ca -0.04 2.52 -0.22 0.00 -0.13 0.00 0.00 55.73 57.86 1ua2 s ARG 283 Cb 0.15 -3.12 -0.08 0.00 -1.56 0.00 0.00 34.95 30.35 1ua2 s ARG 283 CO 0.59 -0.70 1.03 1.51 -0.81 0.00 0.00 175.30 176.91 1ua2 n ILE 284 N 4.00 3.05 -3.72 4.11 3.06 -0.85 -4.86 119.36 124.15 1ua2 n ILE 284 Ca 0.15 -0.50 -0.22 0.00 -2.50 0.00 0.00 62.75 59.68 1ua2 n ILE 284 Cb 0.36 -1.23 -0.02 0.00 0.54 0.00 0.00 39.64 39.30 1ua2 n ILE 284 CO 0.00 0.00 0.00 0.42 -2.50 0.00 0.00 176.55 174.47 1ua2 s THR 285 N -1.38 5.20 0.23 9.51 -4.23 -1.26 -4.81 115.64 118.89 1ua2 s THR 285 Ca 0.69 -0.77 -0.07 0.00 -1.18 0.00 0.00 61.69 60.36 1ua2 s THR 285 Cb -0.48 -3.86 0.19 0.00 1.34 0.00 0.00 72.50 69.69 1ua2 s THR 285 CO 0.52 -0.43 1.86 0.00 -0.54 0.00 0.00 174.62 176.04 1ua2 h ALA 286 N 1.00 1.09 -0.06 3.99 0.00 -1.93 0.30 119.26 123.65 1ua2 h ALA 286 Ca -0.51 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.38 1ua2 h ALA 286 Cb 1.23 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 1ua2 h ALA 286 CO 0.61 0.31 0.01 1.15 0.00 0.00 0.00 179.25 181.33 1ua2 h THR 287 N 0.98 0.97 -0.49 0.00 2.02 -1.92 -1.27 112.91 113.21 1ua2 h THR 287 Ca 0.34 -0.01 -0.08 0.00 0.77 0.00 0.00 66.41 67.43 1ua2 h THR 287 Cb 0.06 0.93 -0.02 0.00 -1.74 0.00 0.00 68.15 67.38 1ua2 h THR 287 CO -0.13 0.01 -0.00 1.56 0.37 0.00 0.00 175.52 177.32 1ua2 h GLN 288 N 0.03 0.81 0.34 6.66 4.20 -1.52 -1.31 115.11 124.33 1ua2 h GLN 288 Ca 0.03 -0.22 -0.00 0.00 0.06 0.00 0.00 58.65 58.51 1ua2 h GLN 288 Cb 0.03 -0.09 -0.03 0.00 0.30 0.00 0.00 27.48 27.69 1ua2 h GLN 288 CO -0.04 0.82 -0.41 0.00 -0.67 0.00 0.00 178.83 178.53 1ua2 h ALA 289 N 1.24 -0.86 -0.98 3.87 0.00 -0.42 -2.77 119.26 119.35 1ua2 h ALA 289 Ca 0.15 -0.13 0.22 0.00 0.00 0.00 0.00 54.91 55.15 1ua2 h ALA 289 Cb 0.46 0.61 -0.09 0.00 0.00 0.00 0.00 17.79 18.78 1ua2 h ALA 289 CO 0.02 -1.03 0.63 -0.07 0.00 0.00 0.00 179.25 178.80 1ua2 h LEU 290 N -0.79 0.53 -0.28 0.00 3.38 -0.13 -0.32 115.31 117.70 1ua2 h LEU 290 Ca -0.02 0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1ua2 h LEU 290 Cb 0.72 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.45 1ua2 h LEU 290 CO -0.10 0.17 0.00 0.29 0.09 0.00 0.00 178.44 178.89 1ua2 n LYS 291 N -4.62 1.19 -1.57 1.13 5.02 -0.75 -4.63 118.16 113.94 1ua2 n LYS 291 Ca 0.22 -0.28 -0.31 0.00 -2.02 0.00 0.00 58.31 55.92 1ua2 n LYS 291 Cb 0.72 -1.44 0.05 0.00 -0.02 0.00 0.00 35.03 34.34 1ua2 n LYS 291 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 1ua2 s MET 292 N -1.98 2.83 0.27 1.97 -1.94 -0.13 -4.93 119.30 115.39 1ua2 s MET 292 Ca 0.40 1.05 -0.00 0.00 -1.71 0.00 0.00 55.69 55.42 1ua2 s MET 292 Cb 0.19 -1.97 0.52 0.00 2.01 0.00 0.00 34.83 35.58 1ua2 s MET 292 CO 0.32 -1.19 1.80 0.87 -0.01 0.00 0.00 175.02 176.81 1ua2 h LYS 293 N -0.64 0.78 -0.99 2.03 1.79 -1.89 -2.46 116.57 115.19 1ua2 h LYS 293 Ca -0.44 -0.05 0.32 0.00 -2.18 0.00 0.00 60.65 58.31 1ua2 h LYS 293 Cb 1.22 -0.18 -0.18 0.00 -1.58 0.00 0.00 32.23 31.51 1ua2 h LYS 293 CO 0.56 0.52 0.22 -0.92 -1.08 0.00 0.00 179.45 178.75 1ua2 h TYR 294 N 0.81 0.29 -0.33 -1.35 3.20 -1.91 0.62 116.97 118.29 1ua2 h TYR 294 Ca 0.47 0.06 0.00 0.00 3.14 0.00 0.00 58.73 62.40 1ua2 h TYR 294 Cb 0.55 0.04 0.00 0.00 1.54 0.00 0.00 36.73 38.86 1ua2 h TYR 294 CO -0.04 -0.44 0.00 1.19 -1.64 0.00 0.00 178.16 177.22 1ua2 n PHE 295 N -5.40 0.43 0.00 -3.82 3.01 -0.92 -3.85 117.46 106.91 1ua2 n PHE 295 Ca 0.29 -0.22 0.00 0.00 1.01 0.00 0.00 57.45 58.53 1ua2 n PHE 295 Cb 0.95 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.42 1ua2 n PHE 295 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 1ua2 n SER 296 N 0.66 3.92 -4.19 4.37 3.41 0.17 -4.97 113.62 117.00 1ua2 n SER 296 Ca 0.15 0.00 -0.35 0.00 -0.26 0.00 0.00 58.87 58.42 1ua2 n SER 296 Cb 0.37 0.17 0.09 0.00 -0.26 0.00 0.00 64.21 64.58 1ua2 n SER 296 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1ua2 n ASN 297 N -2.19 -3.57 -0.02 4.04 3.02 0.13 -4.92 115.26 111.74 1ua2 n ASN 297 Ca 0.00 0.15 -0.17 0.00 -0.03 0.00 0.00 54.58 54.54 1ua2 n ASN 297 Cb 0.45 -0.91 -0.09 0.00 -0.61 0.00 0.00 39.78 38.62 1ua2 n ASN 297 CO 0.00 0.00 0.00 -0.09 -2.62 0.00 0.00 177.26 174.55 1ua2 h ARG 298 N -1.39 0.55 -5.77 3.52 9.65 -1.89 -3.34 114.38 115.72 1ua2 h ARG 298 Ca -0.45 -0.47 -0.35 0.00 -1.10 0.00 0.00 59.98 57.62 1ua2 h ARG 298 Cb 1.32 0.11 -0.04 0.00 -1.39 0.00 0.00 29.97 29.97 1ua2 h ARG 298 CO 0.29 1.10 0.92 -2.14 2.80 0.00 0.00 179.97 182.94 1ua2 s PRO 299 N -3.60 2.48 0.94 0.20 0.02 -1.26 -4.94 135.00 128.83 1ua2 s PRO 299 Ca -0.12 0.14 -0.13 0.00 0.02 0.00 0.00 61.00 60.91 1ua2 s PRO 299 Cb 0.06 -4.80 0.15 0.00 0.02 0.00 0.00 34.50 29.93 1ua2 s PRO 299 CO 0.84 -3.25 1.13 0.20 -0.33 0.00 0.00 177.00 175.59 1ua2 s GLY 300 N 8.47 1.58 0.27 0.52 0.00 -1.25 -4.97 107.32 111.93 1ua2 s GLY 300 Ca 0.72 -0.53 -0.30 0.00 0.00 0.00 0.00 44.72 44.61 1ua2 s GLY 300 CO 0.08 0.05 1.55 2.56 0.00 0.00 0.00 173.10 177.34 1ua2 s PRO 301 N -5.25 4.17 0.13 2.90 0.04 -1.26 -4.85 135.00 130.88 1ua2 s PRO 301 Ca 0.64 2.49 -0.31 0.00 0.04 0.00 0.00 61.00 63.86 1ua2 s PRO 301 Cb -0.15 -3.06 -0.07 0.00 0.04 0.00 0.00 34.50 31.26 1ua2 s PRO 301 CO 0.54 -0.57 1.29 0.95 0.04 0.00 0.00 177.00 179.25 1ua2 s THR 302 N 0.09 3.53 0.59 1.26 -4.23 -1.22 -4.86 115.64 110.80 1ua2 s THR 302 Ca 0.63 1.16 0.43 0.00 -1.18 0.00 0.00 61.69 62.73 1ua2 s THR 302 Cb -0.46 -3.74 0.43 0.00 1.34 0.00 0.00 72.50 70.07 1ua2 s THR 302 CO 0.45 0.12 2.32 -0.65 -0.54 0.00 0.00 174.62 176.32 1ua2 h PRO 303 N 6.23 0.00 0.00 3.99 0.11 -1.92 -3.44 132.00 136.97 1ua2 h PRO 303 Ca -0.43 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.68 1ua2 h PRO 303 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1ua2 h PRO 303 CO 0.81 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 179.01 1ua2 n GLY 304 N -1.02 1.36 0.00 -0.55 0.00 -1.26 -4.71 105.19 99.01 1ua2 n GLY 304 Ca -0.03 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.85 1ua2 n GLY 304 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ua2 n GLN 306 N -0.98 0.14 -2.45 0.00 6.02 -1.26 -4.69 117.38 114.16 1ua2 n GLN 306 Ca 0.00 0.51 -0.43 0.00 -0.01 0.00 0.00 57.00 57.07 1ua2 n GLN 306 Cb 0.00 -1.86 -0.02 0.00 1.02 0.00 0.00 30.24 29.38 1ua2 n GLN 306 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 1ua2 s LEU 307 N -4.29 4.23 0.10 1.08 2.96 -1.26 -4.95 118.68 116.56 1ua2 s LEU 307 Ca 0.01 1.74 -0.31 0.00 -0.22 0.00 0.00 54.13 55.36 1ua2 s LEU 307 Cb 0.07 -3.55 -0.08 0.00 0.50 0.00 0.00 46.19 43.14 1ua2 s LEU 307 CO 0.27 -0.67 1.42 -2.16 -1.32 0.00 0.00 176.35 173.90 1ua2 s PRO 308 N 2.83 4.30 0.18 0.98 0.04 -1.26 -4.88 135.00 137.19 1ua2 s PRO 308 Ca 0.55 2.10 -0.11 0.00 0.04 0.00 0.00 61.00 63.58 1ua2 s PRO 308 Cb -0.23 -3.30 -0.07 0.00 0.04 0.00 0.00 34.50 30.94 1ua2 s PRO 308 CO 0.18 -0.49 0.52 1.03 0.04 0.00 0.00 177.00 178.28 1ua2 s ARG 309 N 1.35 3.84 0.76 4.56 0.52 -1.26 -5.04 118.95 123.68 1ua2 s ARG 309 Ca 0.65 0.30 -0.09 0.00 -0.52 0.00 0.00 55.73 56.08 1ua2 s ARG 309 Cb -0.37 -2.79 0.08 0.00 0.52 0.00 0.00 34.95 32.38 1ua2 s ARG 309 CO 0.30 0.41 1.10 -2.14 0.02 0.00 0.00 175.30 174.99 1ua2 s PRO 310 N -2.42 2.00 0.00 3.54 0.02 -1.26 -4.92 135.00 131.96 1ua2 s PRO 310 Ca 0.42 -0.13 0.04 0.00 0.02 0.00 0.00 61.00 61.35 1ua2 s PRO 310 Cb -0.13 -2.06 0.22 0.00 0.02 0.00 0.00 34.50 32.55 1ua2 s PRO 310 CO 0.20 -1.46 0.70 0.09 -0.33 0.00 0.00 177.00 176.21