#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a80 n VAL 3 N 0.00-12.12 -2.33 1.08 0.31 -1.26 -4.99 118.33 99.02 1a80 n VAL 3 Ca 0.00 2.74 -0.32 0.00 -0.01 0.00 0.00 64.34 66.76 1a80 n VAL 3 Cb 0.00 -5.90 -0.02 0.00 -0.91 0.00 0.00 33.84 27.01 1a80 n VAL 3 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 1a80 s PRO 4 N -0.76 3.85 -0.08 5.55 0.04 -1.26 -4.83 135.00 137.51 1a80 s PRO 4 Ca -0.07 0.85 0.02 0.00 0.04 0.00 0.00 61.00 61.84 1a80 s PRO 4 Cb 0.00 -2.15 -0.02 0.00 0.04 0.00 0.00 34.50 32.37 1a80 s PRO 4 CO 0.19 -0.31 -0.12 -1.54 0.04 0.00 0.00 177.00 175.26 1a80 s SER 5 N -3.35 4.19 -0.08 6.66 1.04 -1.26 -0.52 113.70 120.38 1a80 s SER 5 Ca 0.57 -0.19 -0.04 0.00 0.48 0.00 0.00 55.95 56.77 1a80 s SER 5 Cb -0.10 -1.12 -0.04 0.00 0.10 0.00 0.00 66.02 64.86 1a80 s SER 5 CO 0.37 0.30 0.11 0.27 0.98 0.00 0.00 173.24 175.26 1a80 s ILE 6 N -0.46 5.12 -0.22 -1.02 -4.36 0.38 -4.82 121.20 115.82 1a80 s ILE 6 Ca 0.06 -0.02 -0.27 0.00 -0.26 0.00 0.00 60.65 60.16 1a80 s ILE 6 Cb -0.12 -3.25 0.00 0.00 1.25 0.00 0.00 42.46 40.34 1a80 s ILE 6 CO 0.02 0.55 0.95 -0.69 0.24 0.00 0.00 174.94 176.01 1a80 s VAL 7 N -1.05 4.76 0.55 8.37 1.01 -1.26 -0.07 120.40 132.71 1a80 s VAL 7 Ca 0.17 1.85 -0.06 0.00 0.00 0.00 0.00 61.98 63.94 1a80 s VAL 7 Cb -0.12 -4.23 -0.01 0.00 0.00 0.00 0.00 36.38 32.02 1a80 s VAL 7 CO 0.07 -0.11 0.86 -0.76 0.00 0.00 0.00 175.10 175.16 1a80 s LEU 8 N 2.88 3.37 0.60 3.92 1.43 0.26 -4.95 118.68 126.19 1a80 s LEU 8 Ca 0.41 0.78 0.29 0.00 -1.03 0.00 0.00 54.13 54.58 1a80 s LEU 8 Cb -0.16 -3.66 1.59 0.00 0.03 0.00 0.00 46.19 43.99 1a80 s LEU 8 CO 0.08 -0.90 1.99 -0.55 0.23 0.00 0.00 176.35 177.21 1a80 h ASN 9 N -0.04 0.00 0.17 2.29 7.08 -1.83 0.38 115.58 123.64 1a80 h ASN 9 Ca -0.46 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 52.76 1a80 h ASN 9 Cb 1.24 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.48 1a80 h ASN 9 CO 0.61 0.00 -0.10 -0.90 -2.08 0.00 0.00 177.43 174.96 1a80 n ASP 10 N -3.65 0.85 0.00 6.14 5.68 -1.26 -4.92 116.55 119.38 1a80 n ASP 10 Ca 0.04 -0.98 0.00 0.00 -0.50 0.00 0.00 54.79 53.35 1a80 n ASP 10 Cb 0.48 0.01 0.00 0.00 -1.14 0.00 0.00 41.12 40.46 1a80 n ASP 10 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1a80 n GLY 11 N 1.23 0.78 3.91 6.12 0.00 0.12 -5.07 105.19 112.28 1a80 n GLY 11 Ca 0.16 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.88 1a80 n GLY 11 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1a80 s ASN 12 N -2.34 6.45 -0.01 1.61 2.47 -1.26 -4.85 114.94 117.02 1a80 s ASN 12 Ca 0.00 0.51 0.02 0.00 0.42 0.00 0.00 52.86 53.81 1a80 s ASN 12 Cb 0.00 -2.06 -0.03 0.00 -1.45 0.00 0.00 41.25 37.71 1a80 s ASN 12 CO 0.00 0.06 -0.06 -0.44 -3.72 0.00 0.00 177.10 172.94 1a80 s SER 13 N -2.56 4.72 -0.02 -4.21 0.01 -1.26 0.91 113.70 111.29 1a80 s SER 13 Ca 0.40 -0.10 0.03 0.00 1.31 0.00 0.00 55.95 57.58 1a80 s SER 13 Cb -0.12 -1.14 -0.00 0.00 0.21 0.00 0.00 66.02 64.97 1a80 s SER 13 CO 0.26 0.30 -0.09 -0.51 0.41 0.00 0.00 173.24 173.60 1a80 s ILE 14 N -0.98 0.78 -0.03 1.44 2.07 0.90 -4.91 121.20 120.48 1a80 s ILE 14 Ca 0.17 -0.39 -0.30 0.00 -1.41 0.00 0.00 60.65 58.72 1a80 s ILE 14 Cb -0.11 -0.68 -0.05 0.00 0.13 0.00 0.00 42.46 41.75 1a80 s ILE 14 CO 0.07 0.23 1.35 -2.84 -1.91 0.00 0.00 174.94 171.84 1a80 s PRO 15 N 0.01 4.30 0.55 3.50 0.02 -1.26 0.14 135.00 142.26 1a80 s PRO 15 Ca -0.00 1.88 0.25 0.00 0.02 0.00 0.00 61.00 63.15 1a80 s PRO 15 Cb -0.06 -3.59 1.47 0.00 0.02 0.00 0.00 34.50 32.34 1a80 s PRO 15 CO 0.00 -0.56 2.05 0.37 -0.33 0.00 0.00 177.00 178.54 1a80 h GLN 16 N 7.80 0.00 -5.74 5.54 4.15 -1.12 -3.41 115.11 122.33 1a80 h GLN 16 Ca -0.36 0.00 -0.56 0.00 0.77 0.00 0.00 58.65 58.50 1a80 h GLN 16 Cb 1.17 0.00 -0.29 0.00 0.21 0.00 0.00 27.48 28.57 1a80 h GLN 16 CO 0.90 0.00 -0.84 -1.17 -1.93 0.00 0.00 178.83 175.79 1a80 s LEU 17 N -8.32 2.04 0.00 -2.39 2.96 -1.26 -1.56 118.68 110.15 1a80 s LEU 17 Ca -0.05 -0.33 0.00 0.00 -0.22 0.00 0.00 54.13 53.53 1a80 s LEU 17 Cb 0.17 -0.93 0.00 0.00 0.50 0.00 0.00 46.19 45.93 1a80 s LEU 17 CO 0.65 0.22 0.00 0.61 -1.32 0.00 0.00 176.35 176.51 1a80 n GLY 18 N 2.62 3.92 3.02 7.98 0.00 0.05 -4.48 105.19 118.30 1a80 n GLY 18 Ca -0.15 -1.31 -0.26 0.00 0.00 0.00 0.00 46.02 44.30 1a80 n GLY 18 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1a80 s TYR 19 N -2.95 1.62 -0.05 1.61 5.04 0.19 -3.74 117.35 119.07 1a80 s TYR 19 Ca 0.00 -0.66 -0.04 0.00 -2.44 0.00 0.00 57.07 53.92 1a80 s TYR 19 Cb 0.00 -1.19 -0.04 0.00 0.35 0.00 0.00 41.96 41.08 1a80 s TYR 19 CO 0.00 -0.35 0.17 0.20 -1.34 0.00 0.00 175.55 174.22 1a80 s GLY 20 N 0.84 2.17 -0.10 8.97 0.00 -1.15 -0.57 107.32 117.48 1a80 s GLY 20 Ca -0.11 -0.72 0.14 0.00 0.00 0.00 0.00 44.72 44.03 1a80 s GLY 20 CO 0.01 -0.55 1.32 3.33 0.00 0.00 0.00 173.10 177.21 1a80 n VAL 21 N 1.31 1.69 -1.97 1.40 0.24 -0.75 -4.44 118.33 115.82 1a80 n VAL 21 Ca -0.14 -1.50 -0.42 0.00 -2.04 0.00 0.00 64.34 60.24 1a80 n VAL 21 Cb 0.53 0.09 -0.03 0.00 -1.47 0.00 0.00 33.84 32.96 1a80 n VAL 21 CO 0.00 0.00 0.00 0.12 -2.14 0.00 0.00 176.83 174.81 1a80 s PHE 22 N -2.01 3.07 0.00 6.34 5.36 -1.26 -2.04 117.98 127.44 1a80 s PHE 22 Ca 0.32 0.73 0.00 0.00 -0.96 0.00 0.00 56.93 57.02 1a80 s PHE 22 Cb 0.23 -3.89 0.00 0.00 -0.34 0.00 0.00 43.02 39.02 1a80 s PHE 22 CO 0.11 -3.20 0.00 1.63 -1.46 0.00 0.00 175.22 172.30 1a80 n LYS 23 N 3.65 0.00 -3.02 10.12 4.76 -1.26 -5.00 118.16 127.42 1a80 n LYS 23 Ca 0.12 0.00 -0.41 0.00 -2.87 0.00 0.00 58.31 55.15 1a80 n LYS 23 Cb 0.39 -2.51 -0.05 0.00 -1.84 0.00 0.00 35.03 31.02 1a80 n LYS 23 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 1a80 s VAL 24 N -3.97 4.94 0.41 -0.18 1.01 -0.87 -5.00 120.40 116.74 1a80 s VAL 24 Ca 0.00 1.36 -0.25 0.00 0.00 0.00 0.00 61.98 63.09 1a80 s VAL 24 Cb 0.00 -4.02 -0.10 0.00 0.00 0.00 0.00 36.38 32.25 1a80 s VAL 24 CO 0.00 0.04 1.15 -2.65 0.00 0.00 0.00 175.10 173.64 1a80 n PRO 25 N 5.40 1.66 -0.36 2.72 -0.02 -1.26 -4.74 135.00 138.40 1a80 n PRO 25 Ca 0.02 0.59 0.05 0.00 -2.02 0.00 0.00 63.50 62.14 1a80 n PRO 25 Cb 0.49 -2.20 0.22 0.00 -0.02 0.00 0.00 33.50 31.98 1a80 n PRO 25 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1a80 h PRO 26 N 1.88 1.04 -0.17 0.52 0.11 -1.86 0.12 132.00 133.64 1a80 h PRO 26 Ca -0.46 -0.06 -0.06 0.00 0.11 0.00 0.00 66.00 65.53 1a80 h PRO 26 Cb 1.31 -0.23 -0.01 0.00 0.11 0.00 0.00 31.00 32.18 1a80 h PRO 26 CO 0.59 0.69 -0.17 0.00 -0.21 0.00 0.00 178.00 178.90 1a80 h ALA 27 N 1.50 1.41 -0.01 -0.75 0.00 -1.93 -2.39 119.26 117.09 1a80 h ALA 27 Ca 0.46 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 55.13 1a80 h ALA 27 Cb 0.34 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1a80 h ALA 27 CO -0.22 0.41 -0.30 -0.25 0.00 0.00 0.00 179.25 178.89 1a80 n ASP 28 N -4.23 1.35 -0.27 0.00 8.00 -0.69 -4.41 116.55 116.29 1a80 n ASP 28 Ca -0.01 -1.10 0.11 0.00 0.71 0.00 0.00 54.79 54.50 1a80 n ASP 28 Cb 0.31 0.22 0.36 0.00 -0.02 0.00 0.00 41.12 41.99 1a80 n ASP 28 CO 0.00 0.00 0.00 0.74 -0.39 0.00 0.00 177.20 177.55 1a80 h THR 29 N 1.64 0.86 0.01 -3.53 2.02 -0.46 -2.00 112.91 111.45 1a80 h THR 29 Ca 0.00 -0.25 -0.00 0.00 0.77 0.00 0.00 66.41 66.93 1a80 h THR 29 Cb 0.58 0.07 0.00 0.00 -1.74 0.00 0.00 68.15 67.06 1a80 h THR 29 CO 0.00 0.13 -0.00 -0.61 0.37 0.00 0.00 175.52 175.41 1a80 h GLN 30 N 0.72 -0.01 -0.13 6.66 4.15 -1.76 -2.02 115.11 122.72 1a80 h GLN 30 Ca 0.44 0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.86 1a80 h GLN 30 Cb 0.66 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.34 1a80 h GLN 30 CO -0.20 0.10 0.08 0.00 -1.93 0.00 0.00 178.83 176.88 1a80 h ARG 31 N -0.13 0.17 -0.61 1.69 2.47 -1.82 0.14 114.38 116.30 1a80 h ARG 31 Ca -0.00 -0.01 0.12 0.00 -1.26 0.00 0.00 59.98 58.83 1a80 h ARG 31 Cb 0.12 -0.04 -0.10 0.00 -1.65 0.00 0.00 29.97 28.30 1a80 h ARG 31 CO 0.00 0.14 0.03 0.00 0.56 0.00 0.00 179.97 180.70 1a80 h ALA 32 N 1.02 0.62 0.00 0.04 0.00 -1.33 0.94 119.26 120.55 1a80 h ALA 32 Ca 0.05 0.18 -0.18 0.00 0.00 0.00 0.00 54.91 54.95 1a80 h ALA 32 Cb 0.01 0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 1a80 h ALA 32 CO -0.01 -0.38 -0.87 0.28 0.00 0.00 0.00 179.25 178.28 1a80 h VAL 33 N 0.14 1.60 -0.11 0.00 2.07 -1.10 -2.69 116.25 116.17 1a80 h VAL 33 Ca 0.32 -2.91 -0.00 0.00 0.82 0.00 0.00 66.70 64.92 1a80 h VAL 33 Cb 0.51 2.58 -0.01 0.00 -1.52 0.00 0.00 31.29 32.86 1a80 h VAL 33 CO -0.50 0.83 0.06 -0.33 0.02 0.00 0.00 177.57 177.66 1a80 h GLU 34 N 0.01 0.15 -0.42 1.57 5.08 0.26 -1.39 114.58 119.83 1a80 h GLU 34 Ca -0.01 -0.01 0.04 0.00 -1.00 0.00 0.00 59.36 58.38 1a80 h GLU 34 Cb 1.52 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 30.70 1a80 h GLU 34 CO 0.11 0.15 0.18 0.93 -1.00 0.00 0.00 179.01 179.39 1a80 h GLU 35 N 0.10 0.35 -0.90 2.33 5.08 -0.89 0.15 114.58 120.80 1a80 h GLU 35 Ca 0.04 -0.02 0.01 0.00 -1.00 0.00 0.00 59.36 58.39 1a80 h GLU 35 Cb 0.05 -0.08 -0.05 0.00 0.50 0.00 0.00 28.75 29.17 1a80 h GLU 35 CO -0.01 0.23 0.60 0.00 -1.00 0.00 0.00 179.01 178.83 1a80 h ALA 36 N 1.25 1.37 -0.39 3.43 0.00 -1.18 0.59 119.26 124.33 1a80 h ALA 36 Ca 0.19 -0.06 -0.10 0.00 0.00 0.00 0.00 54.91 54.94 1a80 h ALA 36 Cb 0.15 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 1a80 h ALA 36 CO -0.17 0.58 -0.14 -0.07 0.00 0.00 0.00 179.25 179.45 1a80 h LEU 37 N 1.21 0.81 0.26 0.00 3.38 -0.82 0.90 115.31 121.05 1a80 h LEU 37 Ca 0.33 -0.38 -0.01 0.00 0.09 0.00 0.00 57.88 57.91 1a80 h LEU 37 Cb -0.12 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.41 1a80 h LEU 37 CO -0.08 1.01 -0.13 -0.08 0.09 0.00 0.00 178.44 179.25 1a80 h GLU 38 N 0.60 -0.34 -0.88 1.13 4.81 -0.05 -2.64 114.58 117.20 1a80 h GLU 38 Ca 0.09 0.02 0.14 0.00 -0.13 0.00 0.00 59.36 59.49 1a80 h GLU 38 Cb 0.68 0.08 -0.07 0.00 0.63 0.00 0.00 28.75 30.07 1a80 h GLU 38 CO 0.05 -0.23 0.57 0.28 -0.73 0.00 0.00 179.01 178.95 1a80 h VAL 39 N -0.35 0.84 0.00 0.32 2.07 0.22 -3.45 116.25 115.89 1a80 h VAL 39 Ca -0.04 -0.24 0.00 0.00 0.82 0.00 0.00 66.70 67.25 1a80 h VAL 39 Cb 0.27 0.09 0.00 0.00 -1.52 0.00 0.00 31.29 30.13 1a80 h VAL 39 CO 0.06 0.13 0.00 0.61 0.02 0.00 0.00 177.57 178.38 1a80 n GLY 40 N -1.44 -0.09 3.76 2.17 0.00 -0.68 -5.01 105.19 103.90 1a80 n GLY 40 Ca 0.17 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.79 1a80 n GLY 40 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1a80 s TYR 41 N 0.00 3.45 0.00 1.61 2.02 0.22 -4.96 117.35 119.70 1a80 s TYR 41 Ca 0.00 1.64 0.00 0.00 -0.37 0.00 0.00 57.07 58.34 1a80 s TYR 41 Cb 0.00 -3.36 0.00 0.00 -0.40 0.00 0.00 41.96 38.20 1a80 s TYR 41 CO 0.00 -0.83 0.06 0.54 -1.57 0.00 0.00 175.55 173.76 1a80 n ARG 42 N 1.04 4.45 -4.01 -0.62 5.12 -1.26 -4.28 116.66 117.09 1a80 n ARG 42 Ca -0.01 -0.06 -0.34 0.00 -1.93 0.00 0.00 57.85 55.52 1a80 n ARG 42 Cb 0.44 -0.47 -0.15 0.00 -1.16 0.00 0.00 32.46 31.13 1a80 n ARG 42 CO 0.00 0.00 0.00 -1.58 -1.93 0.00 0.00 177.63 174.12 1a80 s HIS 43 N -0.65 3.05 -0.16 -1.55 2.46 -1.26 -1.77 115.29 115.40 1a80 s HIS 43 Ca 0.00 -1.72 -0.04 0.00 0.47 0.00 0.00 55.06 53.77 1a80 s HIS 43 Cb 0.00 -2.01 -0.03 0.00 -0.13 0.00 0.00 32.58 30.41 1a80 s HIS 43 CO 0.00 -0.77 -0.02 0.42 -2.47 0.00 0.00 174.74 171.90 1a80 s ILE 44 N 1.27 4.08 -0.34 0.89 -1.09 -0.73 0.55 121.20 125.84 1a80 s ILE 44 Ca -0.01 -0.29 -0.03 0.00 -2.23 0.00 0.00 60.65 58.09 1a80 s ILE 44 Cb -0.16 -2.80 0.07 0.00 -1.58 0.00 0.00 42.46 37.99 1a80 s ILE 44 CO -0.06 0.49 0.08 -0.62 -1.23 0.00 0.00 174.94 173.60 1a80 s ASP 45 N 0.34 5.09 0.29 3.58 -1.08 0.26 -2.22 116.67 122.92 1a80 s ASP 45 Ca -0.03 -1.49 0.00 0.00 -0.52 0.00 0.00 52.55 50.52 1a80 s ASP 45 Cb -0.14 -1.78 0.00 0.00 -1.46 0.00 0.00 42.92 39.55 1a80 s ASP 45 CO 0.02 -0.36 0.04 1.07 0.52 0.00 0.00 175.17 176.46 1a80 n THR 46 N 4.65 0.00 -3.60 1.71 5.66 -0.68 -1.81 114.28 120.21 1a80 n THR 46 Ca -0.09 -1.32 -0.15 0.00 -3.05 0.00 0.00 64.05 59.43 1a80 n THR 46 Cb 0.43 0.19 -0.07 0.00 -1.55 0.00 0.00 70.33 69.33 1a80 n THR 46 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1a80 s ALA 47 N -2.48 -1.71 0.31 1.79 0.00 -1.26 -3.95 121.76 114.45 1a80 s ALA 47 Ca 0.03 1.72 0.03 0.00 0.00 0.00 0.00 51.96 53.74 1a80 s ALA 47 Cb -0.00 -0.75 0.63 0.00 0.00 0.00 0.00 23.12 22.99 1a80 s ALA 47 CO 0.02 -0.34 1.85 0.00 0.00 0.00 0.00 175.76 177.29 1a80 h ALA 48 N 4.37 1.61 0.00 0.00 0.00 -1.94 0.28 119.26 123.58 1a80 h ALA 48 Ca -0.28 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1a80 h ALA 48 Cb 1.16 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.75 1a80 h ALA 48 CO 0.18 0.16 0.00 0.97 0.00 0.00 0.00 179.25 180.55 1a80 h ILE 49 N 0.91 0.00 0.00 0.00 6.09 -1.96 -2.41 117.51 120.15 1a80 h ILE 49 Ca 0.47 -0.23 0.00 0.00 -1.37 0.00 0.00 64.86 63.73 1a80 h ILE 49 Cb 0.52 0.96 0.00 0.00 0.47 0.00 0.00 36.82 38.77 1a80 h ILE 49 CO -0.23 0.00 0.00 1.88 -3.07 0.00 0.00 178.15 176.73 1a80 h TYR 50 N 0.00 0.00 -0.92 2.19 0.05 -0.83 -3.47 116.97 113.99 1a80 h TYR 50 Ca 0.00 0.00 -0.25 0.00 0.05 0.00 0.00 58.73 58.53 1a80 h TYR 50 Cb 0.34 0.00 -0.07 0.00 1.01 0.00 0.00 36.73 38.01 1a80 h TYR 50 CO 0.00 0.00 -0.25 0.41 -1.05 0.00 0.00 178.16 177.27 1a80 n GLY 51 N 0.35 0.90 0.45 3.88 0.00 -0.91 -4.78 105.19 105.08 1a80 n GLY 51 Ca 0.02 -0.43 0.05 0.00 0.00 0.00 0.00 46.02 45.65 1a80 n GLY 51 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1a80 n ASN 52 N -0.08 1.09 0.30 1.61 0.23 -1.26 -4.71 115.26 112.44 1a80 n ASN 52 Ca -0.13 -2.55 0.16 0.00 -0.53 0.00 0.00 54.58 51.53 1a80 n ASN 52 Cb 0.46 -0.32 0.94 0.00 -2.08 0.00 0.00 39.78 38.78 1a80 n ASN 52 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 1a80 h GLU 53 N 0.18 0.00 0.06 -3.83 5.08 -1.90 -2.38 114.58 111.79 1a80 h GLU 53 Ca -0.02 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.33 1a80 h GLU 53 Cb 1.27 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.52 1a80 h GLU 53 CO 0.01 0.01 -0.03 0.93 -1.00 0.00 0.00 179.01 178.93 1a80 h GLU 54 N 0.00 -0.07 -0.31 2.33 5.08 -1.85 -0.93 114.58 118.83 1a80 h GLU 54 Ca -0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.36 1a80 h GLU 54 Cb 0.03 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.28 1a80 h GLU 54 CO 0.00 0.08 0.16 0.78 -1.00 0.00 0.00 179.01 179.03 1a80 h GLY 55 N -0.22 0.48 0.47 -3.84 0.00 -1.72 -1.41 103.07 96.83 1a80 h GLY 55 Ca -0.01 -0.23 0.10 0.00 0.00 0.00 0.00 47.33 47.19 1a80 h GLY 55 CO 0.01 0.22 0.38 -2.08 0.00 0.00 0.00 176.54 175.07 1a80 h VAL 56 N 0.38 0.86 -0.34 4.60 2.07 -1.40 -0.89 116.25 121.52 1a80 h VAL 56 Ca 0.11 -0.22 -0.06 0.00 0.82 0.00 0.00 66.70 67.34 1a80 h VAL 56 Cb 0.10 0.16 -0.01 0.00 -1.52 0.00 0.00 31.29 30.01 1a80 h VAL 56 CO -0.02 0.12 -0.04 1.23 0.02 0.00 0.00 177.57 178.88 1a80 h GLY 57 N 0.65 0.68 1.00 2.17 0.00 -0.72 -2.57 103.07 104.28 1a80 h GLY 57 Ca 0.36 -0.53 0.00 0.00 0.00 0.00 0.00 47.33 47.17 1a80 h GLY 57 CO -0.27 0.49 0.26 0.00 0.00 0.00 0.00 176.54 177.02 1a80 h ALA 58 N 0.83 0.50 0.02 3.60 0.00 -0.71 -1.08 119.26 122.43 1a80 h ALA 58 Ca 0.09 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 55.00 1a80 h ALA 58 Cb 0.52 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.11 1a80 h ALA 58 CO 0.03 -0.04 -0.17 0.00 0.00 0.00 0.00 179.25 179.06 1a80 h ALA 59 N 1.14 -0.23 -0.94 0.00 0.00 -1.18 0.43 119.26 118.48 1a80 h ALA 59 Ca 0.15 -0.00 0.08 0.00 0.00 0.00 0.00 54.91 55.14 1a80 h ALA 59 Cb -0.06 0.30 -0.07 0.00 0.00 0.00 0.00 17.79 17.95 1a80 h ALA 59 CO -0.03 -0.67 0.59 0.82 0.00 0.00 0.00 179.25 179.95 1a80 h ILE 60 N -0.29 1.01 -0.20 0.00 2.04 -1.28 0.22 117.51 119.00 1a80 h ILE 60 Ca 0.05 -0.35 -0.06 0.00 1.00 0.00 0.00 64.86 65.50 1a80 h ILE 60 Cb 0.35 -0.10 -0.01 0.00 -0.74 0.00 0.00 36.82 36.32 1a80 h ILE 60 CO -0.15 0.19 -0.09 0.00 0.00 0.00 0.00 178.15 178.10 1a80 h ALA 61 N 1.46 0.29 -0.81 1.87 0.00 -0.18 -3.21 119.26 118.68 1a80 h ALA 61 Ca 0.43 -0.28 0.02 0.00 0.00 0.00 0.00 54.91 55.08 1a80 h ALA 61 Cb 0.28 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 17.95 1a80 h ALA 61 CO -0.21 0.11 0.52 0.00 0.00 0.00 0.00 179.25 179.68 1a80 h ALA 62 N 0.71 1.05 -2.28 0.00 0.00 0.49 -3.43 119.26 115.79 1a80 h ALA 62 Ca 0.05 -0.04 -0.50 0.00 0.00 0.00 0.00 54.91 54.41 1a80 h ALA 62 Cb 0.57 -0.30 0.17 0.00 0.00 0.00 0.00 17.79 18.23 1a80 h ALA 62 CO 0.03 0.38 0.24 -1.54 0.00 0.00 0.00 179.25 178.36 1a80 s SER 63 N -5.88 3.36 0.00 0.00 1.04 0.72 -4.95 113.70 108.00 1a80 s SER 63 Ca -0.13 1.89 0.23 0.00 0.48 0.00 0.00 55.95 58.42 1a80 s SER 63 Cb 0.16 -2.46 0.48 0.00 0.10 0.00 0.00 66.02 64.29 1a80 s SER 63 CO 0.79 -2.77 1.42 0.61 0.98 0.00 0.00 173.24 174.27 1a80 n GLY 64 N -0.43 1.43 3.76 7.32 0.00 -1.26 -4.93 105.19 111.08 1a80 n GLY 64 Ca 0.09 -0.68 -0.41 0.00 0.00 0.00 0.00 46.02 45.02 1a80 n GLY 64 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1a80 s ILE 65 N -1.57 2.63 0.38 -0.61 1.01 -1.26 -4.98 121.20 116.80 1a80 s ILE 65 Ca 0.37 0.60 -0.26 0.00 0.00 0.00 0.00 60.65 61.36 1a80 s ILE 65 Cb 0.22 -3.38 -0.09 0.00 0.01 0.00 0.00 42.46 39.22 1a80 s ILE 65 CO 0.31 0.13 1.21 0.00 0.00 0.00 0.00 174.94 176.58 1a80 s ALA 66 N -0.78 3.24 0.32 9.38 0.00 -1.26 -4.93 121.76 127.73 1a80 s ALA 66 Ca 0.53 1.06 0.07 0.00 0.00 0.00 0.00 51.96 53.61 1a80 s ALA 66 Cb -0.41 -3.41 0.76 0.00 0.00 0.00 0.00 23.12 20.06 1a80 s ALA 66 CO 0.51 -0.58 1.80 -0.09 0.00 0.00 0.00 175.76 177.39 1a80 h ARG 67 N 2.82 0.73 -0.85 0.00 9.65 -1.95 -2.31 114.38 122.47 1a80 h ARG 67 Ca -0.49 -0.04 0.16 0.00 -1.10 0.00 0.00 59.98 58.51 1a80 h ARG 67 Cb 1.23 -0.16 -0.10 0.00 -1.39 0.00 0.00 29.97 29.55 1a80 h ARG 67 CO 0.63 0.48 0.41 0.22 2.80 0.00 0.00 179.97 184.51 1a80 h ASP 68 N 0.75 0.45 0.31 -3.80 3.58 -2.04 0.21 116.42 115.88 1a80 h ASP 68 Ca 0.55 0.11 0.00 0.00 0.42 0.00 0.00 57.03 58.11 1a80 h ASP 68 Cb 0.88 0.05 0.00 0.00 1.72 0.00 0.00 39.33 41.98 1a80 h ASP 68 CO -0.34 0.15 -0.00 0.47 -2.88 0.00 0.00 179.24 176.65 1a80 n ASP 69 N -4.93 0.01 -4.88 2.28 8.00 -0.87 -4.85 116.55 111.32 1a80 n ASP 69 Ca 0.18 -0.54 -0.24 0.00 0.71 0.00 0.00 54.79 54.90 1a80 n ASP 69 Cb 0.49 -0.15 -0.04 0.00 -0.02 0.00 0.00 41.12 41.39 1a80 n ASP 69 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1a80 s LEU 70 N -2.31 4.08 -0.28 0.64 1.43 0.06 -4.86 118.68 117.44 1a80 s LEU 70 Ca 0.37 -0.02 -0.04 0.00 -1.03 0.00 0.00 54.13 53.42 1a80 s LEU 70 Cb 0.21 -2.65 0.10 0.00 0.03 0.00 0.00 46.19 43.88 1a80 s LEU 70 CO 0.42 0.02 0.12 0.12 0.23 0.00 0.00 176.35 177.26 1a80 s PHE 71 N -1.86 0.53 -0.15 0.29 2.19 -0.73 -5.00 117.98 113.25 1a80 s PHE 71 Ca 0.33 -0.95 -0.10 0.00 0.33 0.00 0.00 56.93 56.54 1a80 s PHE 71 Cb -0.10 -1.00 -0.05 0.00 -1.31 0.00 0.00 43.02 40.57 1a80 s PHE 71 CO 0.26 -0.80 0.19 0.42 1.83 0.00 0.00 175.22 177.12 1a80 s ILE 72 N 2.03 5.39 -0.08 3.12 -1.09 -1.26 -1.77 121.20 127.54 1a80 s ILE 72 Ca 0.08 0.33 0.02 0.00 -2.23 0.00 0.00 60.65 58.85 1a80 s ILE 72 Cb -0.16 -3.50 0.01 0.00 -1.58 0.00 0.00 42.46 37.23 1a80 s ILE 72 CO -0.32 0.50 -0.14 -0.89 -1.23 0.00 0.00 174.94 172.87 1a80 s THR 73 N -0.22 1.28 0.40 2.92 2.01 -0.94 -0.01 115.64 121.07 1a80 s THR 73 Ca 0.14 -0.55 0.04 0.00 0.31 0.00 0.00 61.69 61.62 1a80 s THR 73 Cb -0.12 -1.16 -0.03 0.00 0.01 0.00 0.00 72.50 71.20 1a80 s THR 73 CO 0.03 0.39 0.11 0.28 -0.69 0.00 0.00 174.62 174.74 1a80 s THR 74 N 0.73 0.70 0.02 -0.82 -1.32 -0.76 -1.68 115.64 112.50 1a80 s THR 74 Ca -0.13 -2.00 -0.01 0.00 -1.21 0.00 0.00 61.69 58.34 1a80 s THR 74 Cb -0.16 -2.39 -0.02 0.00 -1.51 0.00 0.00 72.50 68.42 1a80 s THR 74 CO 0.03 0.00 -0.01 -0.54 -2.21 0.00 0.00 174.62 171.89 1a80 s LYS 75 N -3.74 0.36 -0.41 7.08 1.02 -1.25 -2.04 119.74 120.75 1a80 s LYS 75 Ca 0.24 -0.64 -0.25 0.00 0.02 0.00 0.00 55.97 55.34 1a80 s LYS 75 Cb 0.03 0.13 0.02 0.00 -0.52 0.00 0.00 37.83 37.49 1a80 s LYS 75 CO 0.14 -0.06 0.89 -1.17 -0.92 0.00 0.00 175.35 174.23 1a80 s LEU 76 N -1.58 4.04 0.71 3.17 2.96 0.24 -3.39 118.68 124.82 1a80 s LEU 76 Ca -0.14 0.31 -0.14 0.00 -0.22 0.00 0.00 54.13 53.94 1a80 s LEU 76 Cb -0.08 -3.18 0.03 0.00 0.50 0.00 0.00 46.19 43.46 1a80 s LEU 76 CO -0.02 -0.92 1.13 0.86 -1.32 0.00 0.00 176.35 176.09 1a80 s TRP 77 N 3.51 2.40 0.32 5.38 -0.00 -1.26 -1.95 118.94 127.34 1a80 s TRP 77 Ca 0.36 1.58 0.05 0.00 -0.00 0.00 0.00 56.10 58.09 1a80 s TRP 77 Cb -0.11 -3.24 0.69 0.00 -0.00 0.00 0.00 33.47 30.81 1a80 s TRP 77 CO 0.22 -2.02 1.86 -0.91 -0.00 0.00 0.00 176.95 176.10 1a80 h ASN 78 N -0.36 0.78 -0.16 5.86 2.35 -1.93 -1.42 115.58 120.70 1a80 h ASN 78 Ca -0.46 0.04 -0.05 0.00 -0.55 0.00 0.00 56.30 55.28 1a80 h ASN 78 Cb 1.26 -0.12 -0.03 0.00 0.05 0.00 0.00 38.32 39.48 1a80 h ASN 78 CO 0.52 0.42 0.06 -0.90 -1.65 0.00 0.00 177.43 175.87 1a80 n ASP 79 N -4.58 2.51 -0.39 5.81 5.68 -1.26 -3.82 116.55 120.51 1a80 n ASP 79 Ca 0.17 -2.26 0.03 0.00 -0.50 0.00 0.00 54.79 52.23 1a80 n ASP 79 Cb 0.39 -0.55 0.04 0.00 -1.14 0.00 0.00 41.12 39.86 1a80 n ASP 79 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 1a80 n ARG 80 N 0.14 0.34 0.16 0.11 5.12 -0.54 -4.82 116.66 117.17 1a80 n ARG 80 Ca 0.09 -1.42 0.03 0.00 -1.93 0.00 0.00 57.85 54.62 1a80 n ARG 80 Cb 0.58 -0.76 0.21 0.00 -1.16 0.00 0.00 32.46 31.33 1a80 n ARG 80 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 1a80 h HIS 81 N 0.00 0.00 -4.04 -1.55 3.86 -1.71 -3.04 115.15 108.67 1a80 h HIS 81 Ca 0.00 0.00 -0.46 0.00 -1.16 0.00 0.00 60.37 58.75 1a80 h HIS 81 Cb 1.29 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.75 1a80 h HIS 81 CO 0.07 0.50 0.31 -0.51 0.86 0.00 0.00 177.93 179.16 1a80 s ASP 82 N -6.55 6.81 1.08 2.45 1.01 -1.26 -3.88 116.67 116.33 1a80 s ASP 82 Ca 0.00 1.58 0.00 0.00 0.71 0.00 0.00 52.55 54.84 1a80 s ASP 82 Cb 0.11 -2.50 0.00 0.00 1.01 0.00 0.00 42.92 41.54 1a80 s ASP 82 CO 0.72 -0.41 0.00 0.61 0.21 0.00 0.00 175.17 176.30 1a80 n GLY 83 N -0.92 3.10 1.70 0.21 0.00 -1.26 -0.91 105.19 107.12 1a80 n GLY 83 Ca 0.06 -0.06 -0.16 0.00 0.00 0.00 0.00 46.02 45.86 1a80 n GLY 83 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1a80 n ASP 84 N 3.04 3.71 0.04 1.61 8.00 -1.26 -4.59 116.55 127.10 1a80 n ASP 84 Ca 0.00 -3.74 0.02 0.00 0.71 0.00 0.00 54.79 51.78 1a80 n ASP 84 Cb 0.00 -0.71 0.38 0.00 -0.02 0.00 0.00 41.12 40.76 1a80 n ASP 84 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 1a80 h GLU 85 N 1.23 0.43 -0.81 -1.24 4.39 -1.23 -2.83 114.58 114.53 1a80 h GLU 85 Ca 0.41 -0.07 0.10 0.00 0.34 0.00 0.00 59.36 60.14 1a80 h GLU 85 Cb 1.89 -0.08 -0.07 0.00 -0.10 0.00 0.00 28.75 30.39 1a80 h GLU 85 CO 0.79 0.42 0.45 -1.35 -1.16 0.00 0.00 179.01 178.16 1a80 h PRO 86 N 0.43 0.73 -0.37 2.33 0.11 -1.74 0.25 132.00 133.73 1a80 h PRO 86 Ca 0.10 -0.04 -0.06 0.00 0.11 0.00 0.00 66.00 66.10 1a80 h PRO 86 Cb 0.20 -0.16 -0.02 0.00 0.11 0.00 0.00 31.00 31.13 1a80 h PRO 86 CO -0.00 0.48 -0.04 0.00 -0.21 0.00 0.00 178.00 178.23 1a80 h ALA 87 N 1.46 1.24 -0.14 -0.75 0.00 -1.86 -1.20 119.26 118.00 1a80 h ALA 87 Ca 0.40 -0.24 -0.18 0.00 0.00 0.00 0.00 54.91 54.88 1a80 h ALA 87 Cb 0.39 -0.16 0.01 0.00 0.00 0.00 0.00 17.79 18.03 1a80 h ALA 87 CO -0.26 0.50 -0.62 0.00 0.00 0.00 0.00 179.25 178.87 1a80 h ALA 88 N 1.39 0.27 0.44 0.00 0.00 -1.17 -2.96 119.26 117.23 1a80 h ALA 88 Ca 0.11 -0.55 -0.02 0.00 0.00 0.00 0.00 54.91 54.46 1a80 h ALA 88 Cb 0.42 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1a80 h ALA 88 CO 0.02 0.54 -0.23 0.00 0.00 0.00 0.00 179.25 179.58 1a80 h ALA 89 N 0.53 -0.62 -0.85 0.00 0.00 -0.30 -2.56 119.26 115.46 1a80 h ALA 89 Ca -0.04 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.74 1a80 h ALA 89 Cb 1.26 0.26 -0.04 0.00 0.00 0.00 0.00 17.79 19.26 1a80 h ALA 89 CO 0.13 -0.85 0.51 0.97 0.00 0.00 0.00 179.25 180.01 1a80 h ILE 90 N -0.62 1.23 -0.92 0.00 2.10 -1.32 -2.25 117.51 115.73 1a80 h ILE 90 Ca -0.06 -0.51 0.01 0.00 1.08 0.00 0.00 64.86 65.38 1a80 h ILE 90 Cb 0.49 0.03 -0.05 0.00 -1.09 0.00 0.00 36.82 36.20 1a80 h ILE 90 CO 0.09 0.25 0.60 0.00 -1.08 0.00 0.00 178.15 178.00 1a80 h ALA 91 N 1.39 1.33 -0.14 0.18 0.00 -1.39 0.80 119.26 121.43 1a80 h ALA 91 Ca 0.31 -0.07 -0.15 0.00 0.00 0.00 0.00 54.91 55.00 1a80 h ALA 91 Cb -0.05 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.36 1a80 h ALA 91 CO -0.06 0.61 -0.53 1.05 0.00 0.00 0.00 179.25 180.32 1a80 h GLU 92 N 1.25 0.40 -0.17 0.00 4.11 -1.08 -2.35 114.58 116.73 1a80 h GLU 92 Ca 0.33 -0.25 -0.01 0.00 0.07 0.00 0.00 59.36 59.51 1a80 h GLU 92 Cb -0.13 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.13 1a80 h GLU 92 CO -0.07 0.84 0.07 0.77 0.07 0.00 0.00 179.01 180.68 1a80 h SER 93 N 0.31 0.24 -0.94 3.06 0.02 -0.73 -1.78 113.55 113.72 1a80 h SER 93 Ca 0.01 -0.17 0.14 0.00 -0.84 0.00 0.00 61.79 60.93 1a80 h SER 93 Cb 1.04 -0.06 -0.08 0.00 0.14 0.00 0.00 62.40 63.44 1a80 h SER 93 CO 0.09 0.35 0.60 -0.07 -1.14 0.00 0.00 176.83 176.66 1a80 h LEU 94 N 0.12 0.75 -0.53 5.07 3.38 -0.78 0.17 115.31 123.48 1a80 h LEU 94 Ca 0.06 0.05 -0.15 0.00 0.09 0.00 0.00 57.88 57.93 1a80 h LEU 94 Cb 0.18 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 1a80 h LEU 94 CO -0.00 0.37 -0.71 0.00 0.09 0.00 0.00 178.44 178.19 1a80 h ALA 95 N 1.59 0.79 -0.04 1.53 0.00 -1.15 -0.11 119.26 121.87 1a80 h ALA 95 Ca 0.48 -0.65 -0.10 0.00 0.00 0.00 0.00 54.91 54.64 1a80 h ALA 95 Cb 0.69 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 18.37 1a80 h ALA 95 CO -0.25 0.89 -0.37 0.87 0.00 0.00 0.00 179.25 180.39 1a80 h LYS 96 N 0.00 0.32 0.00 0.00 1.57 -0.15 -3.20 116.57 115.12 1a80 h LYS 96 Ca -0.01 -0.29 0.00 0.00 -1.87 0.00 0.00 60.65 58.48 1a80 h LYS 96 Cb 1.28 0.07 0.00 0.00 0.08 0.00 0.00 32.23 33.67 1a80 h LYS 96 CO 0.09 0.96 0.00 -0.07 -0.57 0.00 0.00 179.45 179.86 1a80 h LEU 97 N -0.21 0.00 -1.63 2.94 3.38 -0.78 -3.35 115.31 115.65 1a80 h LEU 97 Ca -0.04 0.00 -0.40 0.00 0.09 0.00 0.00 57.88 57.54 1a80 h LEU 97 Cb 1.06 0.00 0.09 0.00 0.09 0.00 0.00 40.66 41.90 1a80 h LEU 97 CO 0.08 0.00 -0.80 0.00 0.09 0.00 0.00 178.44 177.81 1a80 n ALA 98 N -1.97 -1.92 -2.48 1.53 0.00 -0.11 -4.33 120.51 111.23 1a80 n ALA 98 Ca 0.03 -0.08 -0.23 0.00 0.00 0.00 0.00 53.44 53.16 1a80 n ALA 98 Cb 0.36 -2.46 -0.11 0.00 0.00 0.00 0.00 19.45 17.25 1a80 n ALA 98 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1a80 s LEU 99 N -6.66 2.45 0.04 0.00 1.43 -0.86 -5.04 118.68 110.03 1a80 s LEU 99 Ca 0.08 -1.30 0.05 0.00 -1.03 0.00 0.00 54.13 51.93 1a80 s LEU 99 Cb -0.04 -0.60 -0.24 0.00 0.03 0.00 0.00 46.19 45.34 1a80 s LEU 99 CO 0.79 -0.47 0.97 0.44 0.23 0.00 0.00 176.35 178.31 1a80 h ASP 100 N 2.10 0.12 -4.42 2.29 3.32 -1.94 -3.44 116.42 114.45 1a80 h ASP 100 Ca -0.41 -0.17 0.04 0.00 0.02 0.00 0.00 57.03 56.51 1a80 h ASP 100 Cb 1.24 -0.04 -0.21 0.00 0.22 0.00 0.00 39.33 40.54 1a80 h ASP 100 CO 0.71 1.14 0.43 0.00 -1.72 0.00 0.00 179.24 179.80 1a80 s GLN 101 N -2.65 0.75 0.58 3.56 -2.07 -1.26 -4.85 119.66 113.72 1a80 s GLN 101 Ca -0.04 0.15 -0.03 0.00 -1.82 0.00 0.00 55.36 53.63 1a80 s GLN 101 Cb 0.08 0.35 0.03 0.00 -1.09 0.00 0.00 33.01 32.38 1a80 s GLN 101 CO 0.83 -0.24 0.84 0.14 -1.32 0.00 0.00 175.29 175.54 1a80 s VAL 102 N -1.25 3.09 -0.02 3.63 -7.23 -1.12 -4.99 120.40 112.51 1a80 s VAL 102 Ca -0.04 -0.37 0.07 0.00 -1.81 0.00 0.00 61.98 59.82 1a80 s VAL 102 Cb -0.00 -3.21 -0.24 0.00 0.56 0.00 0.00 36.38 33.49 1a80 s VAL 102 CO 0.04 -0.18 0.76 0.44 -0.31 0.00 0.00 175.10 175.84 1a80 h ASP 103 N -0.08 0.12 -3.92 4.85 3.32 -0.79 -2.56 116.42 117.36 1a80 h ASP 103 Ca -0.44 -0.21 -0.13 0.00 0.02 0.00 0.00 57.03 56.27 1a80 h ASP 103 Cb 1.28 -0.04 -0.24 0.00 0.22 0.00 0.00 39.33 40.55 1a80 h ASP 103 CO 0.57 1.19 -0.26 -0.22 -1.72 0.00 0.00 179.24 178.80 1a80 s LEU 104 N -6.46 0.51 -0.01 1.55 2.96 -0.84 -1.53 118.68 114.85 1a80 s LEU 104 Ca -0.07 0.77 0.04 0.00 -0.22 0.00 0.00 54.13 54.65 1a80 s LEU 104 Cb 0.08 1.35 -0.01 0.00 0.50 0.00 0.00 46.19 48.11 1a80 s LEU 104 CO 0.82 -0.15 -0.13 -0.47 -1.32 0.00 0.00 176.35 175.10 1a80 s TYR 105 N 0.15 1.19 0.09 5.38 5.04 -0.63 -1.83 117.35 126.74 1a80 s TYR 105 Ca -0.00 -0.24 0.03 0.00 -2.44 0.00 0.00 57.07 54.42 1a80 s TYR 105 Cb -0.03 -0.77 -0.04 0.00 0.35 0.00 0.00 41.96 41.47 1a80 s TYR 105 CO 0.01 -0.04 -0.09 -0.51 -1.34 0.00 0.00 175.55 173.57 1a80 s LEU 106 N -0.23 2.41 -0.50 6.97 1.43 -0.87 -1.55 118.68 126.34 1a80 s LEU 106 Ca 0.04 -0.82 -0.27 0.00 -1.03 0.00 0.00 54.13 52.05 1a80 s LEU 106 Cb -0.06 -0.27 0.03 0.00 0.03 0.00 0.00 46.19 45.93 1a80 s LEU 106 CO -0.00 -0.28 1.02 -0.69 0.23 0.00 0.00 176.35 176.63 1a80 s VAL 107 N -2.50 4.32 0.17 -1.59 1.01 -0.95 0.79 120.40 121.65 1a80 s VAL 107 Ca 0.05 0.82 -0.16 0.00 0.00 0.00 0.00 61.98 62.70 1a80 s VAL 107 Cb -0.02 -4.54 0.10 0.00 0.00 0.00 0.00 36.38 31.92 1a80 s VAL 107 CO -0.01 -1.00 1.67 -0.74 0.00 0.00 0.00 175.10 175.03 1a80 h HIS 108 N 9.23 -0.14 -3.75 5.22 2.76 -1.66 -0.29 115.15 126.52 1a80 h HIS 108 Ca -0.24 0.04 -0.15 0.00 -2.20 0.00 0.00 60.37 57.82 1a80 h HIS 108 Cb 1.07 0.13 -0.20 0.00 1.55 0.00 0.00 27.41 29.96 1a80 h HIS 108 CO 0.93 -0.15 -0.57 -1.58 -1.30 0.00 0.00 177.93 175.26 1a80 s TRP 109 N -6.20 0.16 0.07 5.26 0.52 -1.25 -4.29 118.94 113.21 1a80 s TRP 109 Ca -0.14 -0.37 0.18 0.00 0.02 0.00 0.00 56.10 55.79 1a80 s TRP 109 Cb 0.15 -0.13 0.50 0.00 -1.15 0.00 0.00 33.47 32.85 1a80 s TRP 109 CO 0.71 -0.28 1.65 -1.00 0.02 0.00 0.00 176.95 178.05 1a80 h PRO 110 N 4.22 0.00 -6.67 4.98 0.13 -1.77 -3.47 132.00 129.41 1a80 h PRO 110 Ca -0.32 0.00 -0.54 0.00 -0.87 0.00 0.00 66.00 64.28 1a80 h PRO 110 Cb 1.20 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.30 1a80 h PRO 110 CO 0.44 0.42 -0.96 0.25 -0.23 0.00 0.00 178.00 177.91 1a80 n THR 111 N -3.43 -3.39 0.06 1.56 -2.24 -1.26 -4.19 114.28 101.39 1a80 n THR 111 Ca 0.00 -0.67 0.20 0.00 -2.27 0.00 0.00 64.05 61.32 1a80 n THR 111 Cb 0.58 -2.73 0.74 0.00 -2.10 0.00 0.00 70.33 66.81 1a80 n THR 111 CO 0.00 0.00 0.00 -0.65 -0.57 0.00 0.00 175.07 173.85 1a80 h PRO 112 N -2.13 0.00 -0.21 -0.78 0.11 -1.84 -0.96 132.00 126.20 1a80 h PRO 112 Ca -0.68 0.00 -0.11 0.00 0.11 0.00 0.00 66.00 65.32 1a80 h PRO 112 Cb 1.39 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.48 1a80 h PRO 112 CO 0.56 0.00 -0.35 0.00 -0.21 0.00 0.00 178.00 178.00 1a80 h ALA 113 N 1.65 1.01 0.00 -0.75 0.00 -1.90 -1.98 119.26 117.29 1a80 h ALA 113 Ca 0.21 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1a80 h ALA 113 Cb 0.97 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.66 1a80 h ALA 113 CO -0.00 0.60 0.00 0.00 0.00 0.00 0.00 179.25 179.85 1a80 n ALA 114 N -2.49 2.09 -3.46 0.00 0.00 -0.37 -4.92 120.51 111.36 1a80 n ALA 114 Ca -0.01 -0.09 -0.22 0.00 0.00 0.00 0.00 53.44 53.13 1a80 n ALA 114 Cb 0.47 -1.37 -0.03 0.00 0.00 0.00 0.00 19.45 18.51 1a80 n ALA 114 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1a80 n ASP 115 N -1.44 -1.99 -0.49 0.00 2.03 -0.75 -4.85 116.55 109.07 1a80 n ASP 115 Ca 0.07 -0.36 0.08 0.00 0.52 0.00 0.00 54.79 55.10 1a80 n ASP 115 Cb 0.25 -1.75 0.18 0.00 -0.72 0.00 0.00 41.12 39.08 1a80 n ASP 115 CO 0.00 0.00 0.00 -0.46 -1.92 0.00 0.00 177.20 174.82 1a80 n ASN 116 N -2.04 3.06 0.15 1.67 0.23 -1.26 -4.74 115.26 112.32 1a80 n ASN 116 Ca 0.04 -2.86 0.00 0.00 -0.53 0.00 0.00 54.58 51.23 1a80 n ASN 116 Cb 0.49 -0.43 0.21 0.00 -2.08 0.00 0.00 39.78 37.98 1a80 n ASN 116 CO 0.00 0.00 0.00 0.10 -0.93 0.00 0.00 177.26 176.43 1a80 h TYR 117 N 1.00 0.00 -0.38 -2.53 -0.00 -1.86 -1.91 116.97 111.28 1a80 h TYR 117 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 58.73 58.62 1a80 h TYR 117 Cb 1.13 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 37.85 1a80 h TYR 117 CO 0.24 0.56 -0.19 0.28 -0.00 0.00 0.00 178.16 179.05 1a80 h VAL 118 N 0.00 1.28 -0.11 -0.90 2.07 -1.94 -1.05 116.25 115.61 1a80 h VAL 118 Ca -0.01 -1.32 0.00 0.00 0.82 0.00 0.00 66.70 66.19 1a80 h VAL 118 Cb 1.04 1.33 -0.01 0.00 -1.52 0.00 0.00 31.29 32.13 1a80 h VAL 118 CO 0.07 0.44 0.06 -0.74 0.02 0.00 0.00 177.57 177.43 1a80 h HIS 119 N 0.60 0.12 -0.93 1.57 -0.00 -1.87 -0.08 115.15 114.56 1a80 h HIS 119 Ca 0.08 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.46 1a80 h HIS 119 Cb 0.74 -0.04 -0.05 0.00 -0.00 0.00 0.00 27.41 28.07 1a80 h HIS 119 CO 0.06 0.07 0.59 0.00 -0.00 0.00 0.00 177.93 178.65 1a80 h ALA 120 N 1.05 1.18 -0.68 5.26 0.00 -1.24 -1.35 119.26 123.48 1a80 h ALA 120 Ca 0.04 -0.08 -0.05 0.00 0.00 0.00 0.00 54.91 54.82 1a80 h ALA 120 Cb -0.00 -0.38 -0.03 0.00 0.00 0.00 0.00 17.79 17.38 1a80 h ALA 120 CO -0.02 0.60 0.23 2.35 0.00 0.00 0.00 179.25 182.41 1a80 h TRP 121 N 1.27 1.05 -0.49 0.00 2.91 -0.87 -0.60 115.95 119.23 1a80 h TRP 121 Ca 0.34 -0.09 0.04 0.00 1.13 0.00 0.00 58.89 60.31 1a80 h TRP 121 Cb -0.10 -0.31 -0.04 0.00 -0.51 0.00 0.00 29.16 28.19 1a80 h TRP 121 CO -0.00 0.83 0.24 0.93 -1.03 0.00 0.00 178.44 179.41 1a80 h GLU 122 N 1.00 0.46 -0.43 2.65 5.08 0.06 -1.22 114.58 122.18 1a80 h GLU 122 Ca 0.22 -0.03 -0.07 0.00 -1.00 0.00 0.00 59.36 58.49 1a80 h GLU 122 Cb 0.26 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.38 1a80 h GLU 122 CO -0.01 0.31 -0.02 0.87 -1.00 0.00 0.00 179.01 179.16 1a80 h LYS 123 N 0.48 0.71 -0.91 2.33 1.79 -1.03 -2.95 116.57 116.99 1a80 h LYS 123 Ca 0.21 -0.19 0.01 0.00 -2.18 0.00 0.00 60.65 58.51 1a80 h LYS 123 Cb 0.13 -0.08 -0.05 0.00 -1.58 0.00 0.00 32.23 30.65 1a80 h LYS 123 CO -0.15 0.74 0.60 0.52 -1.08 0.00 0.00 179.45 180.08 1a80 h MET 124 N 0.67 1.19 0.00 3.15 2.86 0.05 0.12 114.93 122.96 1a80 h MET 124 Ca 0.13 -0.07 -0.02 0.00 -2.06 0.00 0.00 59.70 57.68 1a80 h MET 124 Cb 0.44 -0.27 -0.00 0.00 0.06 0.00 0.00 31.60 31.83 1a80 h MET 124 CO 0.02 0.78 -0.11 0.82 1.06 0.00 0.00 176.91 179.48 1a80 h ILE 125 N 1.22 0.73 -0.16 -1.22 2.04 -1.19 -2.35 117.51 116.58 1a80 h ILE 125 Ca 0.34 -0.44 -0.17 0.00 1.00 0.00 0.00 64.86 65.60 1a80 h ILE 125 Cb -0.12 1.26 0.01 0.00 -0.74 0.00 0.00 36.82 37.23 1a80 h ILE 125 CO -0.08 0.11 -0.54 -0.33 0.00 0.00 0.00 178.15 177.30 1a80 h GLU 126 N 0.00 0.66 -0.73 2.37 5.08 -0.71 -2.73 114.58 118.52 1a80 h GLU 126 Ca -0.00 -0.49 -0.03 0.00 -1.00 0.00 0.00 59.36 57.84 1a80 h GLU 126 Cb 0.25 0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.56 1a80 h GLU 126 CO 0.01 1.11 0.32 -0.07 -1.00 0.00 0.00 179.01 179.38 1a80 h LEU 127 N 0.34 0.98 -0.40 1.33 3.38 -0.98 0.05 115.31 120.01 1a80 h LEU 127 Ca -0.02 -0.15 -0.05 0.00 0.09 0.00 0.00 57.88 57.75 1a80 h LEU 127 Cb 1.17 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.65 1a80 h LEU 127 CO 0.12 0.86 0.07 -0.09 0.09 0.00 0.00 178.44 179.49 1a80 h ARG 128 N 1.03 0.65 -0.04 1.13 2.43 -1.48 -1.47 114.38 116.64 1a80 h ARG 128 Ca 0.25 -0.17 -0.04 0.00 -0.81 0.00 0.00 59.98 59.20 1a80 h ARG 128 Cb 0.17 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.63 1a80 h ARG 128 CO -0.03 0.70 -0.18 0.00 -1.51 0.00 0.00 179.97 178.95 1a80 h ALA 129 N 0.93 1.63 0.00 2.80 0.00 -1.19 -1.50 119.26 121.92 1a80 h ALA 129 Ca 0.12 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1a80 h ALA 129 Cb 0.36 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1a80 h ALA 129 CO 0.01 0.28 0.00 0.00 0.00 0.00 0.00 179.25 179.53 1a80 n ALA 130 N -2.50 1.94 -0.88 0.00 0.00 -0.02 -4.88 120.51 114.17 1a80 n ALA 130 Ca -0.02 -0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.40 1a80 n ALA 130 Cb 0.26 -1.38 0.00 0.00 0.00 0.00 0.00 19.45 18.33 1a80 n ALA 130 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1a80 n GLY 131 N 0.60 0.49 0.20 0.00 0.00 -0.57 -4.93 105.19 100.99 1a80 n GLY 131 Ca 0.04 -0.59 0.08 0.00 0.00 0.00 0.00 46.02 45.55 1a80 n GLY 131 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1a80 h LEU 132 N 0.00 0.00 -7.45 0.99 -0.00 -1.52 -3.45 115.31 103.88 1a80 h LEU 132 Ca 0.00 0.00 -0.12 0.00 -0.00 0.00 0.00 57.88 57.76 1a80 h LEU 132 Cb 0.00 0.00 -0.22 0.00 -0.00 0.00 0.00 40.66 40.44 1a80 h LEU 132 CO 0.00 0.29 -0.28 0.28 -0.00 0.00 0.00 178.44 178.73 1a80 s THR 133 N -3.43 0.03 0.08 0.22 -1.32 -1.25 -2.80 115.64 107.17 1a80 s THR 133 Ca 0.02 -0.29 -0.10 0.00 -1.21 0.00 0.00 61.69 60.12 1a80 s THR 133 Cb 0.09 -0.57 -0.27 0.00 -1.51 0.00 0.00 72.50 70.25 1a80 s THR 133 CO 0.67 -0.16 1.16 0.03 -2.21 0.00 0.00 174.62 174.11 1a80 h ARG 134 N 4.52 0.48 -4.69 7.08 3.08 -1.48 -3.40 114.38 119.97 1a80 h ARG 134 Ca -0.28 -0.65 -0.25 0.00 0.07 0.00 0.00 59.98 58.87 1a80 h ARG 134 Cb 1.18 0.22 -0.15 0.00 0.08 0.00 0.00 29.97 31.30 1a80 h ARG 134 CO 0.36 1.28 -0.68 -1.12 -1.07 0.00 0.00 179.97 178.74 1a80 s SER 135 N -7.28 1.07 0.03 7.04 0.01 -0.58 -5.00 113.70 108.99 1a80 s SER 135 Ca -0.07 -1.11 0.03 0.00 1.31 0.00 0.00 55.95 56.11 1a80 s SER 135 Cb 0.07 0.13 -0.02 0.00 0.21 0.00 0.00 66.02 66.41 1a80 s SER 135 CO 0.91 -0.55 -0.10 0.27 0.41 0.00 0.00 173.24 174.18 1a80 s ILE 136 N -3.69 0.76 0.40 1.44 -4.36 -1.26 -1.60 121.20 112.88 1a80 s ILE 136 Ca 0.19 -0.85 -0.14 0.00 -0.26 0.00 0.00 60.65 59.58 1a80 s ILE 136 Cb 0.06 -0.72 0.06 0.00 1.25 0.00 0.00 42.46 43.11 1a80 s ILE 136 CO -0.00 -0.10 0.79 0.61 0.24 0.00 0.00 174.94 176.47 1a80 n GLY 137 N 1.98 1.01 3.53 6.27 0.00 -0.60 -0.93 105.19 116.45 1a80 n GLY 137 Ca -0.18 -1.27 -0.25 0.00 0.00 0.00 0.00 46.02 44.32 1a80 n GLY 137 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1a80 s VAL 138 N -2.12 1.34 -0.01 1.61 -7.23 -0.82 -2.24 120.40 110.93 1a80 s VAL 138 Ca 0.17 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.34 1a80 s VAL 138 Cb -0.05 -2.75 0.01 0.00 0.56 0.00 0.00 36.38 34.15 1a80 s VAL 138 CO 0.12 0.00 -0.00 -0.55 -0.31 0.00 0.00 175.10 174.36 1a80 s SER 139 N -3.59 0.22 -1.33 4.85 0.15 -0.12 -2.24 113.70 111.64 1a80 s SER 139 Ca 0.32 -0.02 0.00 0.00 0.70 0.00 0.00 55.95 56.96 1a80 s SER 139 Cb 0.08 -0.08 0.00 0.00 -1.71 0.00 0.00 66.02 64.31 1a80 s SER 139 CO 0.15 -0.03 0.00 0.59 1.20 0.00 0.00 173.24 175.15 1a80 n ASN 140 N 3.50 -4.48 -4.73 5.45 3.02 -0.22 -3.82 115.26 113.98 1a80 n ASN 140 Ca -0.19 0.15 -0.38 0.00 -0.03 0.00 0.00 54.58 54.13 1a80 n ASN 140 Cb 0.56 -3.45 -0.06 0.00 -0.61 0.00 0.00 39.78 36.22 1a80 n ASN 140 CO 0.00 0.00 0.00 -1.00 -2.62 0.00 0.00 177.26 173.64 1a80 s HIS 141 N -2.62 3.57 0.90 3.10 3.76 -1.26 -4.42 115.29 118.32 1a80 s HIS 141 Ca 0.00 1.04 -0.14 0.00 -0.15 0.00 0.00 55.06 55.81 1a80 s HIS 141 Cb 0.00 -2.62 0.15 0.00 1.11 0.00 0.00 32.58 31.22 1a80 s HIS 141 CO 0.00 0.20 1.23 -0.51 -0.85 0.00 0.00 174.74 174.81 1a80 s LEU 142 N 0.46 2.43 0.34 0.89 1.43 -1.26 -4.84 118.68 118.13 1a80 s LEU 142 Ca 0.30 0.59 0.03 0.00 -1.03 0.00 0.00 54.13 54.02 1a80 s LEU 142 Cb -0.16 -2.84 0.60 0.00 0.03 0.00 0.00 46.19 43.81 1a80 s LEU 142 CO 0.14 -2.43 1.90 0.58 0.23 0.00 0.00 176.35 176.76 1a80 h VAL 143 N -1.43 1.19 -0.40 -1.59 2.07 -1.97 -1.78 116.25 112.35 1a80 h VAL 143 Ca -0.46 -0.67 -0.07 0.00 0.82 0.00 0.00 66.70 66.31 1a80 h VAL 143 Cb 1.29 0.77 -0.01 0.00 -1.52 0.00 0.00 31.29 31.82 1a80 h VAL 143 CO 0.53 0.25 -0.03 -0.65 0.02 0.00 0.00 177.57 177.68 1a80 h PRO 144 N 0.60 0.73 -0.96 1.57 0.11 -2.00 -1.39 132.00 130.67 1a80 h PRO 144 Ca 0.14 -0.25 0.09 0.00 0.11 0.00 0.00 66.00 66.09 1a80 h PRO 144 Cb 0.24 -0.06 -0.07 0.00 0.11 0.00 0.00 31.00 31.22 1a80 h PRO 144 CO -0.00 0.84 0.60 0.45 -0.21 0.00 0.00 178.00 179.67 1a80 h HIS 145 N 0.55 1.10 0.22 0.65 3.86 -1.84 -2.22 115.15 117.47 1a80 h HIS 145 Ca 0.11 0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 59.34 1a80 h HIS 145 Cb 0.53 -0.35 0.00 0.00 1.06 0.00 0.00 27.41 28.65 1a80 h HIS 145 CO 0.04 0.50 -0.11 -0.07 0.86 0.00 0.00 177.93 179.16 1a80 h LEU 146 N 1.02 -0.25 -1.01 2.43 3.38 -1.05 -2.22 115.31 117.61 1a80 h LEU 146 Ca 0.44 -0.15 0.07 0.00 0.09 0.00 0.00 57.88 58.33 1a80 h LEU 146 Cb 0.31 0.06 -0.07 0.00 0.09 0.00 0.00 40.66 41.06 1a80 h LEU 146 CO -0.22 0.01 0.65 -0.33 0.09 0.00 0.00 178.44 178.64 1a80 h GLU 147 N -0.51 1.14 0.36 1.13 4.39 -1.06 -2.13 114.58 117.89 1a80 h GLU 147 Ca -0.03 -0.07 -0.02 0.00 0.34 0.00 0.00 59.36 59.58 1a80 h GLU 147 Cb 0.39 -0.26 0.00 0.00 -0.10 0.00 0.00 28.75 28.78 1a80 h GLU 147 CO 0.05 0.76 -0.17 -0.09 -1.16 0.00 0.00 179.01 178.39 1a80 h ARG 148 N 1.18 -0.47 -0.44 2.33 2.43 -1.39 0.75 114.38 118.77 1a80 h ARG 148 Ca 0.44 0.03 0.08 0.00 -0.81 0.00 0.00 59.98 59.72 1a80 h ARG 148 Cb 0.18 0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 29.81 1a80 h ARG 148 CO -0.18 -0.15 0.30 -0.84 -1.51 0.00 0.00 179.97 177.60 1a80 h ILE 149 N -0.90 0.89 0.08 1.20 3.07 -1.33 0.32 117.51 120.85 1a80 h ILE 149 Ca -0.05 -0.08 -0.21 0.00 1.55 0.00 0.00 64.86 66.07 1a80 h ILE 149 Cb 0.54 0.64 0.02 0.00 -0.27 0.00 0.00 36.82 37.75 1a80 h ILE 149 CO 0.08 0.04 -0.86 0.58 -1.05 0.00 0.00 178.15 176.95 1a80 h VAL 150 N 0.23 1.41 -0.24 0.16 2.07 -1.33 -1.48 116.25 117.08 1a80 h VAL 150 Ca 0.20 -2.33 -0.08 0.00 0.82 0.00 0.00 66.70 65.31 1a80 h VAL 150 Cb 0.50 2.82 -0.01 0.00 -1.52 0.00 0.00 31.29 33.07 1a80 h VAL 150 CO -0.04 0.68 -0.20 0.00 0.02 0.00 0.00 177.57 178.03 1a80 h ALA 151 N 0.23 1.21 -0.24 1.67 0.00 -0.19 0.59 119.26 122.53 1a80 h ALA 151 Ca -0.13 -0.30 -0.20 0.00 0.00 0.00 0.00 54.91 54.28 1a80 h ALA 151 Cb 1.60 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.27 1a80 h ALA 151 CO 0.16 0.51 -0.62 0.00 0.00 0.00 0.00 179.25 179.31 1a80 h ALA 152 N 1.40 0.44 0.00 0.00 0.00 -0.38 -3.38 119.26 117.33 1a80 h ALA 152 Ca 0.06 -0.54 -0.19 0.00 0.00 0.00 0.00 54.91 54.24 1a80 h ALA 152 Cb 0.57 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.27 1a80 h ALA 152 CO 0.04 0.68 -1.80 0.25 0.00 0.00 0.00 179.25 178.42 1a80 n THR 153 N -3.98 0.72 -0.97 0.00 -2.24 -0.56 -4.99 114.28 102.26 1a80 n THR 153 Ca -0.05 -0.49 0.00 0.00 -2.27 0.00 0.00 64.05 61.24 1a80 n THR 153 Cb 0.66 -0.55 0.00 0.00 -2.10 0.00 0.00 70.33 68.34 1a80 n THR 153 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1a80 n GLY 154 N 2.18 0.51 3.18 3.38 0.00 0.21 -5.01 105.19 109.64 1a80 n GLY 154 Ca -0.17 -0.06 -0.36 0.00 0.00 0.00 0.00 46.02 45.42 1a80 n GLY 154 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1a80 s VAL 155 N -2.00 3.28 0.14 1.61 1.01 -1.26 -5.07 120.40 118.11 1a80 s VAL 155 Ca 0.00 -1.51 -0.30 0.00 0.00 0.00 0.00 61.98 60.17 1a80 s VAL 155 Cb 0.00 -2.99 -0.07 0.00 0.00 0.00 0.00 36.38 33.33 1a80 s VAL 155 CO 0.00 -0.30 1.12 -0.69 0.00 0.00 0.00 175.10 175.23 1a80 s VAL 156 N 1.26 3.98 0.54 2.92 1.01 -1.26 -4.67 120.40 124.18 1a80 s VAL 156 Ca -0.00 1.61 -0.20 0.00 0.00 0.00 0.00 61.98 63.38 1a80 s VAL 156 Cb -0.21 -4.03 -0.06 0.00 0.00 0.00 0.00 36.38 32.09 1a80 s VAL 156 CO -0.01 0.23 1.16 -2.16 0.00 0.00 0.00 175.10 174.32 1a80 s PRO 157 N 0.09 3.34 0.15 2.72 0.05 -1.26 -4.94 135.00 135.15 1a80 s PRO 157 Ca 0.52 1.71 -0.05 0.00 0.05 0.00 0.00 61.00 63.23 1a80 s PRO 157 Cb -0.29 -2.07 -0.03 0.00 0.05 0.00 0.00 34.50 32.16 1a80 s PRO 157 CO 0.33 -0.88 1.38 0.00 0.05 0.00 0.00 177.00 177.88 1a80 h ALA 158 N 1.31 0.47 -2.55 8.56 0.00 -1.41 -3.44 119.26 122.20 1a80 h ALA 158 Ca -0.50 -0.62 -0.20 0.00 0.00 0.00 0.00 54.91 53.59 1a80 h ALA 158 Cb 1.27 -0.04 -0.14 0.00 0.00 0.00 0.00 17.79 18.87 1a80 h ALA 158 CO 0.57 0.74 -0.58 0.14 0.00 0.00 0.00 179.25 180.12 1a80 s VAL 159 N -3.61 0.04 -0.27 0.00 -7.23 -1.26 -1.96 120.40 106.11 1a80 s VAL 159 Ca -0.07 -1.89 -0.03 0.00 -1.81 0.00 0.00 61.98 58.17 1a80 s VAL 159 Cb 0.10 -2.28 0.10 0.00 0.56 0.00 0.00 36.38 34.86 1a80 s VAL 159 CO 0.86 -0.19 0.18 0.21 -0.31 0.00 0.00 175.10 175.86 1a80 s ASN 160 N -3.10 2.60 -0.36 4.85 2.47 -0.46 -1.95 114.94 119.00 1a80 s ASN 160 Ca 0.31 -0.93 -0.23 0.00 0.42 0.00 0.00 52.86 52.44 1a80 s ASN 160 Cb 0.06 0.00 0.01 0.00 -1.45 0.00 0.00 41.25 39.87 1a80 s ASN 160 CO 0.07 -0.40 0.77 -1.58 -3.72 0.00 0.00 177.10 172.24 1a80 s GLN 161 N 2.21 3.77 0.16 0.43 0.74 -0.95 -2.28 119.66 123.74 1a80 s GLN 161 Ca 0.08 0.32 0.02 0.00 0.05 0.00 0.00 55.36 55.82 1a80 s GLN 161 Cb -0.15 -3.80 -0.05 0.00 1.10 0.00 0.00 33.01 30.11 1a80 s GLN 161 CO -0.30 -0.81 -0.01 0.96 -0.55 0.00 0.00 175.29 174.58 1a80 s ILE 162 N 3.04 0.65 0.05 -2.34 -4.36 0.03 -1.06 121.20 117.20 1a80 s ILE 162 Ca 0.31 -1.97 -0.30 0.00 -0.26 0.00 0.00 60.65 58.42 1a80 s ILE 162 Cb -0.13 -2.05 -0.08 0.00 1.25 0.00 0.00 42.46 41.44 1a80 s ILE 162 CO 0.16 -0.53 1.75 -0.70 0.24 0.00 0.00 174.94 175.86 1a80 s GLU 163 N -3.91 4.17 -0.21 0.37 2.12 -1.26 0.36 118.70 120.34 1a80 s GLU 163 Ca 0.22 2.41 -0.09 0.00 0.36 0.00 0.00 54.97 57.87 1a80 s GLU 163 Cb 0.06 -3.80 0.08 0.00 0.26 0.00 0.00 34.13 30.73 1a80 s GLU 163 CO 0.03 -0.82 0.48 -1.17 -0.54 0.00 0.00 175.26 173.23 1a80 s LEU 164 N 3.34 -0.56 0.13 2.70 0.20 -0.51 -4.74 118.68 119.24 1a80 s LEU 164 Ca 0.78 1.10 -0.25 0.00 0.69 0.00 0.00 54.13 56.45 1a80 s LEU 164 Cb -0.40 1.60 0.07 0.00 -0.43 0.00 0.00 46.19 47.03 1a80 s LEU 164 CO 0.34 -0.22 0.88 -1.38 -0.29 0.00 0.00 176.35 175.69 1a80 s HIS 165 N 2.10 -0.22 0.24 5.38 -3.43 -0.99 -3.74 115.29 114.63 1a80 s HIS 165 Ca -0.06 -0.05 -0.12 0.00 -0.80 0.00 0.00 55.06 54.03 1a80 s HIS 165 Cb -0.10 0.62 0.32 0.00 -1.43 0.00 0.00 32.58 31.99 1a80 s HIS 165 CO -0.14 -0.81 1.59 -1.35 -2.00 0.00 0.00 174.74 172.02 1a80 h PRO 166 N 2.00 -0.01 0.00 -0.38 0.11 -1.88 -1.17 132.00 130.66 1a80 h PRO 166 Ca -0.24 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.87 1a80 h PRO 166 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 1a80 h PRO 166 CO 0.27 -0.01 0.00 0.00 -0.21 0.00 0.00 178.00 178.05 1a80 n ALA 167 N -3.34 2.15 -3.15 -0.75 0.00 -1.26 -2.58 120.51 111.57 1a80 n ALA 167 Ca 0.11 -0.11 0.03 0.00 0.00 0.00 0.00 53.44 53.47 1a80 n ALA 167 Cb 0.41 -1.35 -0.00 0.00 0.00 0.00 0.00 19.45 18.50 1a80 n ALA 167 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 1a80 s TYR 168 N -2.50 -1.63 -0.61 0.00 5.04 -0.45 -3.36 117.35 113.85 1a80 s TYR 168 Ca 0.22 0.58 0.22 0.00 -2.44 0.00 0.00 57.07 55.66 1a80 s TYR 168 Cb 0.15 0.29 -0.13 0.00 0.35 0.00 0.00 41.96 42.62 1a80 s TYR 168 CO 0.32 -1.03 0.86 1.04 -1.34 0.00 0.00 175.55 175.40 1a80 n GLN 169 N 4.82 0.28 -3.90 4.97 6.02 -1.20 -2.35 117.38 126.00 1a80 n GLN 169 Ca 0.08 -0.05 -0.25 0.00 -0.01 0.00 0.00 57.00 56.77 1a80 n GLN 169 Cb 0.56 -1.54 -0.01 0.00 1.02 0.00 0.00 30.24 30.27 1a80 n GLN 169 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 1a80 n GLN 170 N -1.87 -3.73 -0.12 -1.09 6.02 -1.26 -4.77 117.38 110.56 1a80 n GLN 170 Ca 0.01 0.46 0.18 0.00 -0.01 0.00 0.00 57.00 57.64 1a80 n GLN 170 Cb 0.43 -4.73 0.58 0.00 1.02 0.00 0.00 30.24 27.54 1a80 n GLN 170 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1a80 h ARG 171 N -1.84 0.25 -0.36 -1.09 3.08 -1.99 -0.86 114.38 111.57 1a80 h ARG 171 Ca -0.62 -0.01 -0.04 0.00 0.07 0.00 0.00 59.98 59.37 1a80 h ARG 171 Cb 1.37 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 31.35 1a80 h ARG 171 CO 0.62 0.16 0.06 0.93 -1.07 0.00 0.00 179.97 180.67 1a80 h GLU 172 N 0.26 0.54 -0.01 0.04 3.07 -1.99 1.00 114.58 117.49 1a80 h GLU 172 Ca 0.34 -0.10 -0.01 0.00 -0.50 0.00 0.00 59.36 59.09 1a80 h GLU 172 Cb 0.97 -0.09 0.00 0.00 -0.84 0.00 0.00 28.75 28.79 1a80 h GLU 172 CO -0.08 0.53 -0.04 0.82 -1.40 0.00 0.00 179.01 178.84 1a80 h ILE 173 N 0.53 1.54 -0.50 3.13 2.04 -1.52 -2.68 117.51 120.05 1a80 h ILE 173 Ca 0.12 -1.65 -0.02 0.00 1.00 0.00 0.00 64.86 64.31 1a80 h ILE 173 Cb 0.26 2.64 -0.02 0.00 -0.74 0.00 0.00 36.82 38.95 1a80 h ILE 173 CO 0.00 0.43 0.24 0.71 0.00 0.00 0.00 178.15 179.54 1a80 h THR 174 N -0.63 1.17 -0.54 -0.27 1.35 -1.28 0.21 112.91 112.91 1a80 h THR 174 Ca -0.00 -0.47 -0.02 0.00 -0.55 0.00 0.00 66.41 65.36 1a80 h THR 174 Cb 0.73 0.52 -0.02 0.00 -1.73 0.00 0.00 68.15 67.65 1a80 h THR 174 CO 0.01 0.19 0.24 0.44 -0.25 0.00 0.00 175.52 176.16 1a80 h ASP 175 N 0.70 0.73 -0.17 5.36 3.32 -0.85 0.07 116.42 125.58 1a80 h ASP 175 Ca 0.18 -0.15 -0.04 0.00 0.02 0.00 0.00 57.03 57.04 1a80 h ASP 175 Cb 0.07 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.43 1a80 h ASP 175 CO -0.02 0.67 -0.04 -0.25 -1.72 0.00 0.00 179.24 177.88 1a80 h TRP 176 N 0.73 0.37 -0.79 4.55 7.01 -1.02 -2.75 115.95 124.05 1a80 h TRP 176 Ca 0.18 -0.08 0.10 0.00 2.11 0.00 0.00 58.89 61.21 1a80 h TRP 176 Cb 0.15 -0.09 -0.06 0.00 -2.10 0.00 0.00 29.16 27.06 1a80 h TRP 176 CO 0.00 0.59 0.52 0.00 -2.79 0.00 0.00 178.44 176.76 1a80 h ALA 177 N 0.73 1.79 -0.02 2.65 0.00 -0.35 -1.14 119.26 122.92 1a80 h ALA 177 Ca 0.04 -0.01 -0.13 0.00 0.00 0.00 0.00 54.91 54.82 1a80 h ALA 177 Cb 0.47 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 1a80 h ALA 177 CO 0.02 0.04 -0.57 0.00 0.00 0.00 0.00 179.25 178.73 1a80 h ALA 178 N 1.60 1.01 0.00 0.00 0.00 -0.76 0.28 119.26 121.41 1a80 h ALA 178 Ca 0.37 -0.52 -0.10 0.00 0.00 0.00 0.00 54.91 54.66 1a80 h ALA 178 Cb 0.49 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 1a80 h ALA 178 CO -0.14 0.72 -0.47 0.00 0.00 0.00 0.00 179.25 179.36 1a80 h ALA 179 N 1.38 0.70 -0.64 0.00 0.00 -0.96 -3.31 119.26 116.43 1a80 h ALA 179 Ca -0.00 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.48 1a80 h ALA 179 Cb 1.03 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.74 1a80 h ALA 179 CO 0.08 0.58 0.00 0.72 0.00 0.00 0.00 179.25 180.63 1a80 n HIS 180 N -3.22 1.58 -2.24 0.00 -0.00 -0.70 -4.95 115.22 105.69 1a80 n HIS 180 Ca 0.02 -0.61 -0.13 0.00 -0.00 0.00 0.00 57.72 56.99 1a80 n HIS 180 Cb 0.72 -0.29 -0.02 0.00 -0.00 0.00 0.00 29.99 30.40 1a80 n HIS 180 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.34 172.87 1a80 n ASP 181 N 1.06 -4.06 -4.74 0.41 -0.08 -1.08 -4.96 116.55 103.09 1a80 n ASP 181 Ca 0.26 0.20 -0.36 0.00 -1.51 0.00 0.00 54.79 53.38 1a80 n ASP 181 Cb 0.93 -3.50 -0.07 0.00 2.34 0.00 0.00 41.12 40.82 1a80 n ASP 181 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 1a80 s VAL 182 N -2.57 5.36 0.10 5.18 1.01 0.07 -4.27 120.40 125.27 1a80 s VAL 182 Ca 0.00 0.38 -0.18 0.00 0.00 0.00 0.00 61.98 62.18 1a80 s VAL 182 Cb 0.00 -3.55 -0.07 0.00 0.00 0.00 0.00 36.38 32.76 1a80 s VAL 182 CO 0.00 0.43 0.58 -0.54 0.00 0.00 0.00 175.10 175.57 1a80 s LYS 183 N 0.28 4.16 -0.12 2.72 -0.14 -0.83 -4.21 119.74 121.59 1a80 s LYS 183 Ca 0.13 0.69 -0.13 0.00 -1.36 0.00 0.00 55.97 55.30 1a80 s LYS 183 Cb -0.12 -3.14 -0.05 0.00 -1.68 0.00 0.00 37.83 32.84 1a80 s LYS 183 CO 0.02 0.59 0.30 0.42 -0.76 0.00 0.00 175.35 175.92 1a80 s ILE 184 N -1.22 5.27 -0.20 2.17 -1.09 -1.26 -1.35 121.20 123.51 1a80 s ILE 184 Ca 0.32 0.58 -0.04 0.00 -2.23 0.00 0.00 60.65 59.29 1a80 s ILE 184 Cb -0.18 -3.63 -0.01 0.00 -1.58 0.00 0.00 42.46 37.06 1a80 s ILE 184 CO 0.19 0.45 -0.05 -1.61 -1.23 0.00 0.00 174.94 172.70 1a80 s GLU 185 N -0.02 3.42 -0.05 2.79 2.02 -0.96 -2.01 118.70 123.89 1a80 s GLU 185 Ca 0.18 -0.61 -0.22 0.00 0.02 0.00 0.00 54.97 54.34 1a80 s GLU 185 Cb -0.14 -2.97 -0.04 0.00 0.10 0.00 0.00 34.13 31.08 1a80 s GLU 185 CO 0.06 -0.10 0.66 -1.12 0.02 0.00 0.00 175.26 174.77 1a80 s SER 186 N 1.23 6.97 0.12 -0.19 0.01 -0.22 -0.79 113.70 120.83 1a80 s SER 186 Ca 0.03 1.16 0.06 0.00 1.31 0.00 0.00 55.95 58.51 1a80 s SER 186 Cb -0.14 -2.39 -0.04 0.00 0.21 0.00 0.00 66.02 63.65 1a80 s SER 186 CO -0.01 -0.04 -0.04 -1.66 0.41 0.00 0.00 173.24 171.90 1a80 s TRP 187 N 0.47 2.85 -1.40 2.43 1.48 0.16 -4.43 118.94 120.50 1a80 s TRP 187 Ca 0.35 -0.11 -0.09 0.00 -1.06 0.00 0.00 56.10 55.18 1a80 s TRP 187 Cb -0.18 -1.44 0.04 0.00 -1.16 0.00 0.00 33.47 30.72 1a80 s TRP 187 CO 0.17 0.48 1.07 0.41 -4.06 0.00 0.00 176.95 175.02 1a80 n GLY 188 N 0.37 -0.50 0.33 3.67 0.00 -1.26 -1.43 105.19 106.37 1a80 n GLY 188 Ca -0.11 0.22 0.16 0.00 0.00 0.00 0.00 46.02 46.28 1a80 n GLY 188 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1a80 h PRO 189 N -2.38 0.00 -0.64 1.61 0.13 -1.78 -1.58 132.00 127.37 1a80 h PRO 189 Ca -0.58 0.00 -0.32 0.00 -0.87 0.00 0.00 66.00 64.23 1a80 h PRO 189 Cb 1.37 0.00 -0.19 0.00 0.13 0.00 0.00 31.00 32.31 1a80 h PRO 189 CO 0.59 0.00 0.24 1.28 -0.23 0.00 0.00 178.00 179.88 1a80 n LEU 190 N -4.12 5.29 -0.49 1.56 4.77 -1.26 -4.67 117.00 118.07 1a80 n LEU 190 Ca 0.02 -3.69 -0.06 0.00 -0.03 0.00 0.00 56.01 52.25 1a80 n LEU 190 Cb 0.33 -0.72 -0.03 0.00 -2.33 0.00 0.00 43.42 40.66 1a80 n LEU 190 CO 0.31 1.16 -0.06 0.61 -1.33 0.00 0.00 177.39 178.08 1a80 n GLY 191 N -1.10 0.72 2.21 -0.72 0.00 -0.59 -2.91 105.19 102.80 1a80 n GLY 191 Ca 0.45 -0.11 -0.13 0.00 0.00 0.00 0.00 46.02 46.23 1a80 n GLY 191 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1a80 n GLN 192 N -1.02 -1.41 -2.03 1.61 6.02 -1.26 -0.36 117.38 118.93 1a80 n GLN 192 Ca -0.06 0.81 -0.15 0.00 -0.01 0.00 0.00 57.00 57.58 1a80 n GLN 192 Cb 0.44 -5.03 -0.02 0.00 1.02 0.00 0.00 30.24 26.64 1a80 n GLN 192 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1a80 n GLY 193 N -0.15 0.29 0.91 1.08 0.00 -1.15 -4.90 105.19 101.28 1a80 n GLY 193 Ca -0.13 -0.26 0.11 0.00 0.00 0.00 0.00 46.02 45.74 1a80 n GLY 193 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1a80 n LYS 194 N -2.49 2.19 -3.59 1.61 5.02 0.51 -4.96 118.16 116.45 1a80 n LYS 194 Ca -0.17 -1.79 -0.06 0.00 -2.02 0.00 0.00 58.31 54.26 1a80 n LYS 194 Cb 0.60 -1.46 -0.04 0.00 -0.02 0.00 0.00 35.03 34.11 1a80 n LYS 194 CO 0.00 0.00 0.00 1.52 -0.52 0.00 0.00 177.40 178.40 1a80 s TYR 195 N -1.61 -0.21 -0.84 2.13 1.13 -1.26 -5.07 117.35 111.61 1a80 s TYR 195 Ca 0.36 0.29 -0.26 0.00 -1.41 0.00 0.00 57.07 56.05 1a80 s TYR 195 Cb 0.20 0.49 -0.21 0.00 -1.10 0.00 0.00 41.96 41.34 1a80 s TYR 195 CO 0.29 -0.24 1.93 -3.47 -2.51 0.00 0.00 175.55 171.54 1a80 n ASP 196 N 0.36 1.95 0.07 -0.18 -0.08 -1.26 -4.65 116.55 112.76 1a80 n ASP 196 Ca -0.04 -2.58 -0.21 0.00 -1.51 0.00 0.00 54.79 50.44 1a80 n ASP 196 Cb 0.59 -1.39 -0.13 0.00 2.34 0.00 0.00 41.12 42.53 1a80 n ASP 196 CO 0.00 0.00 0.00 0.25 0.12 0.00 0.00 177.20 177.57 1a80 h LEU 197 N 18.91 0.68 -1.25 -2.67 5.85 -1.98 -3.26 115.31 131.59 1a80 h LEU 197 Ca 0.18 -0.86 -0.07 0.00 0.84 0.00 0.00 57.88 57.98 1a80 h LEU 197 Cb 0.87 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.67 1a80 h LEU 197 CO 1.43 1.47 -0.31 -0.26 -0.34 0.00 0.00 178.44 180.43 1a80 h PHE 198 N -0.02 0.00 0.00 1.25 0.04 -1.94 -1.99 116.94 114.28 1a80 h PHE 198 Ca -0.16 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.61 1a80 h PHE 198 Cb 1.73 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.88 1a80 h PHE 198 CO 0.15 0.31 -0.04 0.41 -0.60 0.00 0.00 178.31 178.55 1a80 n GLY 199 N -0.16 -1.51 3.68 -1.45 0.00 -1.25 -4.28 105.19 100.22 1a80 n GLY 199 Ca -0.01 -0.11 -0.45 0.00 0.00 0.00 0.00 46.02 45.45 1a80 n GLY 199 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a80 n ALA 200 N -1.54 1.54 0.07 4.61 0.00 -0.75 -4.77 120.51 119.67 1a80 n ALA 200 Ca 0.07 0.43 -0.03 0.00 0.00 0.00 0.00 53.44 53.91 1a80 n ALA 200 Cb 0.35 -2.36 0.21 0.00 0.00 0.00 0.00 19.45 17.65 1a80 n ALA 200 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 1a80 h GLU 201 N 5.51 0.31 0.00 0.00 4.11 -1.88 0.25 114.58 122.87 1a80 h GLU 201 Ca -0.45 -0.14 0.00 0.00 0.07 0.00 0.00 59.36 58.84 1a80 h GLU 201 Cb 1.25 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.50 1a80 h GLU 201 CO 0.86 0.65 0.00 -1.35 0.07 0.00 0.00 179.01 179.24 1a80 h PRO 202 N 0.26 0.00 0.00 1.06 0.11 -1.90 0.53 132.00 132.06 1a80 h PRO 202 Ca 0.03 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 66.07 1a80 h PRO 202 Cb 0.80 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.90 1a80 h PRO 202 CO 0.06 0.00 -0.43 0.28 -0.21 0.00 0.00 178.00 177.70 1a80 h VAL 203 N 0.00 1.01 -0.43 3.15 2.07 -1.55 -3.11 116.25 117.39 1a80 h VAL 203 Ca 0.00 -1.90 -0.00 0.00 0.82 0.00 0.00 66.70 65.62 1a80 h VAL 203 Cb 0.41 2.04 -0.02 0.00 -1.52 0.00 0.00 31.29 32.20 1a80 h VAL 203 CO 0.00 0.34 0.26 0.74 0.02 0.00 0.00 177.57 178.93 1a80 h THR 204 N -1.00 1.12 -0.33 2.57 2.02 -0.36 -1.75 112.91 115.18 1a80 h THR 204 Ca -0.10 -0.27 -0.05 0.00 0.77 0.00 0.00 66.41 66.76 1a80 h THR 204 Cb 0.85 0.52 -0.01 0.00 -1.74 0.00 0.00 68.15 67.77 1a80 h THR 204 CO -0.06 0.13 0.03 0.00 0.37 0.00 0.00 175.52 175.98 1a80 h ALA 205 N 1.70 0.44 0.00 6.16 0.00 -1.03 -2.08 119.26 124.44 1a80 h ALA 205 Ca 0.15 -0.22 -0.10 0.00 0.00 0.00 0.00 54.91 54.74 1a80 h ALA 205 Cb -0.02 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1a80 h ALA 205 CO -0.03 0.17 -0.50 0.00 0.00 0.00 0.00 179.25 178.89 1a80 h ALA 206 N 0.87 1.02 0.65 0.00 0.00 -1.35 -1.86 119.26 118.60 1a80 h ALA 206 Ca 0.10 -0.45 -0.03 0.00 0.00 0.00 0.00 54.91 54.52 1a80 h ALA 206 Cb 0.39 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.11 1a80 h ALA 206 CO 0.01 0.62 -0.31 0.00 0.00 0.00 0.00 179.25 179.57 1a80 h ALA 207 N 1.50 -0.99 -0.07 0.00 0.00 -1.20 -2.84 119.26 115.66 1a80 h ALA 207 Ca -0.00 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 1a80 h ALA 207 Cb 0.97 0.34 -0.01 0.00 0.00 0.00 0.00 17.79 19.10 1a80 h ALA 207 CO 0.06 -0.93 -0.02 0.00 0.00 0.00 0.00 179.25 178.37 1a80 h ALA 208 N -1.39 1.84 0.00 0.00 0.00 -1.44 0.44 119.26 118.72 1a80 h ALA 208 Ca -0.09 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.72 1a80 h ALA 208 Cb 0.67 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 1a80 h ALA 208 CO 0.15 0.13 -0.17 0.00 0.00 0.00 0.00 179.25 179.36 1a80 h ALA 209 N 1.88 1.63 -0.01 0.00 0.00 -1.29 -3.00 119.26 118.47 1a80 h ALA 209 Ca 0.02 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1a80 h ALA 209 Cb 0.11 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1a80 h ALA 209 CO 0.00 0.21 -0.12 0.72 0.00 0.00 0.00 179.25 180.07 1a80 n HIS 210 N -4.21 0.00 -1.66 0.00 8.25 -0.37 -4.99 115.22 112.25 1a80 n HIS 210 Ca -0.02 0.00 -0.08 0.00 -0.26 0.00 0.00 57.72 57.36 1a80 n HIS 210 Cb 0.24 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.33 1a80 n HIS 210 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1a80 n GLY 211 N 0.73 0.53 3.89 -1.41 0.00 0.14 -5.03 105.19 104.04 1a80 n GLY 211 Ca 0.04 -0.64 -0.20 0.00 0.00 0.00 0.00 46.02 45.22 1a80 n GLY 211 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1a80 s LYS 212 N -3.46 2.62 0.76 1.61 -0.14 -0.64 -5.00 119.74 115.49 1a80 s LYS 212 Ca 0.00 -1.44 -0.11 0.00 -1.36 0.00 0.00 55.97 53.06 1a80 s LYS 212 Cb 0.00 -2.45 0.06 0.00 -1.68 0.00 0.00 37.83 33.76 1a80 s LYS 212 CO 0.00 -0.14 1.13 0.95 -0.76 0.00 0.00 175.35 176.53 1a80 s THR 213 N -2.42 2.49 0.20 2.17 -4.23 -1.26 -4.32 115.64 108.27 1a80 s THR 213 Ca 0.47 0.10 -0.05 0.00 -1.18 0.00 0.00 61.69 61.03 1a80 s THR 213 Cb -0.05 -3.14 0.02 0.00 1.34 0.00 0.00 72.50 70.67 1a80 s THR 213 CO 0.28 -0.18 1.60 -0.65 -0.54 0.00 0.00 174.62 175.13 1a80 h PRO 214 N -0.87 0.80 -0.96 3.99 0.11 -1.91 -1.77 132.00 131.40 1a80 h PRO 214 Ca -0.46 -0.34 0.10 0.00 0.11 0.00 0.00 66.00 65.41 1a80 h PRO 214 Cb 1.31 -0.03 -0.08 0.00 0.11 0.00 0.00 31.00 32.31 1a80 h PRO 214 CO 0.65 0.97 0.60 0.00 -0.21 0.00 0.00 178.00 180.00 1a80 h ALA 215 N 1.02 1.40 0.00 -0.75 0.00 -1.94 0.63 119.26 119.62 1a80 h ALA 215 Ca 0.09 0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.92 1a80 h ALA 215 Cb 0.78 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 1a80 h ALA 215 CO 0.06 0.26 -0.45 1.96 0.00 0.00 0.00 179.25 181.08 1a80 h GLN 216 N 1.00 0.00 -0.43 0.00 4.20 -1.83 -2.78 115.11 115.27 1a80 h GLN 216 Ca 0.46 0.00 -0.12 0.00 0.06 0.00 0.00 58.65 59.04 1a80 h GLN 216 Cb 0.37 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.14 1a80 h GLN 216 CO -0.23 0.45 -0.21 0.00 -0.67 0.00 0.00 178.83 178.16 1a80 h ALA 217 N 1.55 0.61 0.61 3.87 0.00 -0.01 -2.49 119.26 123.40 1a80 h ALA 217 Ca -0.00 -0.38 -0.03 0.00 0.00 0.00 0.00 54.91 54.49 1a80 h ALA 217 Cb 0.91 -0.15 0.01 0.00 0.00 0.00 0.00 17.79 18.56 1a80 h ALA 217 CO 0.06 0.59 -0.29 0.28 0.00 0.00 0.00 179.25 179.88 1a80 h VAL 218 N 0.74 0.40 -0.57 0.00 2.07 -1.17 -1.70 116.25 116.02 1a80 h VAL 218 Ca 0.10 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.73 1a80 h VAL 218 Cb 0.78 0.40 -0.10 0.00 -1.52 0.00 0.00 31.29 30.85 1a80 h VAL 218 CO 0.06 0.00 -0.02 -0.07 0.02 0.00 0.00 177.57 177.57 1a80 h LEU 219 N -0.82 -0.29 -1.51 2.57 4.07 -1.53 0.71 115.31 118.51 1a80 h LEU 219 Ca -0.08 0.14 0.04 0.00 0.08 0.00 0.00 57.88 58.06 1a80 h LEU 219 Cb 0.63 0.26 -0.03 0.00 1.08 0.00 0.00 40.66 42.60 1a80 h LEU 219 CO 0.14 -0.11 0.38 -0.09 -1.08 0.00 0.00 178.44 177.67 1a80 h ARG 220 N 0.10 0.61 0.47 1.13 9.65 -1.34 0.29 114.38 125.28 1a80 h ARG 220 Ca 0.29 -0.04 -0.02 0.00 -1.10 0.00 0.00 59.98 59.11 1a80 h ARG 220 Cb 0.46 -0.14 0.00 0.00 -1.39 0.00 0.00 29.97 28.91 1a80 h ARG 220 CO -0.50 0.40 -0.23 2.35 2.80 0.00 0.00 179.97 184.80 1a80 h TRP 221 N 0.62 -0.58 -0.13 2.20 7.01 0.13 0.29 115.95 125.50 1a80 h TRP 221 Ca 0.23 -0.01 0.05 0.00 2.11 0.00 0.00 58.89 61.27 1a80 h TRP 221 Cb 0.15 0.19 -0.06 0.00 -2.10 0.00 0.00 29.16 27.34 1a80 h TRP 221 CO -0.00 -0.34 -0.27 0.45 -2.79 0.00 0.00 178.44 175.49 1a80 h HIS 222 N -0.68 -0.72 -0.48 2.65 3.86 -0.50 -0.90 115.15 118.38 1a80 h HIS 222 Ca -0.06 0.03 0.08 0.00 -1.16 0.00 0.00 60.37 59.26 1a80 h HIS 222 Cb 0.51 0.34 -0.07 0.00 1.06 0.00 0.00 27.41 29.25 1a80 h HIS 222 CO -0.03 -0.35 0.07 -0.07 0.86 0.00 0.00 177.93 178.41 1a80 h LEU 223 N -0.34 -0.04 -1.38 2.43 3.38 -0.28 0.12 115.31 119.20 1a80 h LEU 223 Ca 0.10 0.09 -0.04 0.00 0.09 0.00 0.00 57.88 58.12 1a80 h LEU 223 Cb 0.49 0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.37 1a80 h LEU 223 CO -0.32 0.01 -0.21 1.56 0.09 0.00 0.00 178.44 179.56 1a80 h GLN 224 N 0.20 0.00 0.00 1.13 4.20 0.10 -2.22 115.11 118.52 1a80 h GLN 224 Ca 0.24 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.95 1a80 h GLN 224 Cb 0.33 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.11 1a80 h GLN 224 CO -0.33 0.21 0.00 1.63 -0.67 0.00 0.00 178.83 179.67 1a80 n LYS 225 N -3.52 0.18 0.00 1.46 5.02 -0.03 -4.88 118.16 116.39 1a80 n LYS 225 Ca -0.01 0.32 0.00 0.00 -2.02 0.00 0.00 58.31 56.61 1a80 n LYS 225 Cb 0.37 -1.79 0.00 0.00 -0.02 0.00 0.00 35.03 33.59 1a80 n LYS 225 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1a80 n GLY 226 N 0.43 0.68 3.85 0.72 0.00 -0.84 -5.09 105.19 104.95 1a80 n GLY 226 Ca 0.03 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.74 1a80 n GLY 226 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1a80 s PHE 227 N -2.00 3.50 -0.21 1.61 0.08 -0.83 -4.76 117.98 115.37 1a80 s PHE 227 Ca 0.00 1.42 -0.09 0.00 0.12 0.00 0.00 56.93 58.38 1a80 s PHE 227 Cb 0.00 -2.77 -0.05 0.00 -0.57 0.00 0.00 43.02 39.63 1a80 s PHE 227 CO 0.00 -0.45 0.12 0.08 -0.10 0.00 0.00 175.22 174.87 1a80 s VAL 228 N -2.77 5.19 0.14 -0.44 1.01 -0.85 -4.33 120.40 118.36 1a80 s VAL 228 Ca 0.58 0.12 0.06 0.00 0.00 0.00 0.00 61.98 62.73 1a80 s VAL 228 Cb -0.10 -3.38 -0.04 0.00 0.00 0.00 0.00 36.38 32.85 1a80 s VAL 228 CO 0.37 0.41 -0.13 0.68 0.00 0.00 0.00 175.10 176.43 1a80 s VAL 229 N 0.64 1.34 -0.50 2.92 -7.23 -0.60 -1.05 120.40 115.92 1a80 s VAL 229 Ca 0.07 -1.88 0.07 0.00 -1.81 0.00 0.00 61.98 58.42 1a80 s VAL 229 Cb -0.12 -1.68 0.20 0.00 0.56 0.00 0.00 36.38 35.33 1a80 s VAL 229 CO 0.01 -0.53 0.73 2.22 -0.31 0.00 0.00 175.10 177.22 1a80 n PHE 230 N 0.21 -3.45 -1.62 2.82 -1.74 -1.26 -0.77 117.46 111.65 1a80 n PHE 230 Ca -0.13 -1.64 -0.34 0.00 -0.56 0.00 0.00 57.45 54.79 1a80 n PHE 230 Cb 0.58 1.37 0.07 0.00 1.52 0.00 0.00 39.48 43.02 1a80 n PHE 230 CO 0.00 0.00 0.00 -2.14 -0.56 0.00 0.00 176.76 174.06 1a80 s PRO 231 N 0.73 2.51 -0.06 3.97 0.02 -1.25 -2.95 135.00 137.97 1a80 s PRO 231 Ca 0.31 1.55 0.01 0.00 0.02 0.00 0.00 61.00 62.89 1a80 s PRO 231 Cb 0.05 -1.90 -0.03 0.00 0.02 0.00 0.00 34.50 32.64 1a80 s PRO 231 CO -0.10 -1.51 -0.07 0.21 -0.33 0.00 0.00 177.00 175.20 1a80 s LYS 232 N -4.00 2.73 -0.28 5.54 2.36 -1.26 -3.01 119.74 121.82 1a80 s LYS 232 Ca 0.70 -0.56 -0.21 0.00 -2.55 0.00 0.00 55.97 53.35 1a80 s LYS 232 Cb -0.24 -2.58 0.10 0.00 -1.05 0.00 0.00 37.83 34.06 1a80 s LYS 232 CO 0.43 0.66 0.82 0.45 1.55 0.00 0.00 175.35 179.26 1a80 s SER 233 N -0.84 -0.70 0.00 1.43 0.15 -1.26 -5.03 113.70 107.46 1a80 s SER 233 Ca 0.13 1.23 0.27 0.00 0.70 0.00 0.00 55.95 58.28 1a80 s SER 233 Cb -0.11 1.27 0.86 0.00 -1.71 0.00 0.00 66.02 66.33 1a80 s SER 233 CO 0.02 -0.20 1.64 1.33 1.20 0.00 0.00 173.24 177.22 1a80 n VAL 234 N 3.20 0.00 -3.69 4.45 0.24 -1.26 -4.86 118.33 116.42 1a80 n VAL 234 Ca -0.16 -0.30 -0.37 0.00 -2.04 0.00 0.00 64.34 61.47 1a80 n VAL 234 Cb 0.57 0.70 -0.11 0.00 -1.47 0.00 0.00 33.84 33.53 1a80 n VAL 234 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 1a80 s ARG 235 N -2.02 3.91 0.25 7.34 0.52 -1.26 -5.01 118.95 122.68 1a80 s ARG 235 Ca 0.35 -0.35 -0.04 0.00 -0.52 0.00 0.00 55.73 55.18 1a80 s ARG 235 Cb 0.21 -3.51 0.49 0.00 0.52 0.00 0.00 34.95 32.66 1a80 s ARG 235 CO 0.34 -0.08 1.68 -0.09 0.02 0.00 0.00 175.30 177.17 1a80 h ARG 236 N 7.97 0.27 -0.58 3.54 2.43 -2.00 0.09 114.38 126.10 1a80 h ARG 236 Ca -0.37 -0.02 0.12 0.00 -0.81 0.00 0.00 59.98 58.90 1a80 h ARG 236 Cb 1.18 -0.06 -0.10 0.00 -0.42 0.00 0.00 29.97 30.57 1a80 h ARG 236 CO 0.60 0.18 0.01 0.93 -1.51 0.00 0.00 179.97 180.17 1a80 h GLU 237 N 0.28 0.12 -0.50 0.20 5.08 -1.99 0.21 114.58 117.99 1a80 h GLU 237 Ca 0.43 -0.01 -0.10 0.00 -1.00 0.00 0.00 59.36 58.68 1a80 h GLU 237 Cb 0.75 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.95 1a80 h GLU 237 CO -0.52 0.08 -0.10 0.00 -1.00 0.00 0.00 179.01 177.47 1a80 h ARG 238 N 0.13 0.92 -0.52 2.33 3.08 -1.42 0.41 114.38 119.30 1a80 h ARG 238 Ca 0.30 -0.32 0.04 0.00 0.07 0.00 0.00 59.98 60.07 1a80 h ARG 238 Cb 0.47 -0.07 -0.04 0.00 0.08 0.00 0.00 29.97 30.41 1a80 h ARG 238 CO -0.48 0.97 0.28 -0.07 -1.07 0.00 0.00 179.97 179.60 1a80 h LEU 239 N 0.82 0.42 -0.11 3.04 3.38 -0.47 0.97 115.31 123.36 1a80 h LEU 239 Ca 0.13 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.10 1a80 h LEU 239 Cb 0.63 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.32 1a80 h LEU 239 CO 0.04 0.29 -0.02 -0.33 0.09 0.00 0.00 178.44 178.51 1a80 h GLU 240 N 0.55 0.21 -0.19 1.13 5.08 -0.59 -2.11 114.58 118.65 1a80 h GLU 240 Ca 0.23 -0.08 0.01 0.00 -1.00 0.00 0.00 59.36 58.52 1a80 h GLU 240 Cb 0.11 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.33 1a80 h GLU 240 CO -0.14 0.50 0.08 1.49 -1.00 0.00 0.00 179.01 179.94 1a80 h GLU 241 N -0.10 0.17 0.00 2.33 4.81 0.50 -2.21 114.58 120.08 1a80 h GLU 241 Ca 0.03 -0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.25 1a80 h GLU 241 Cb 0.42 -0.04 -0.00 0.00 0.63 0.00 0.00 28.75 29.76 1a80 h GLU 241 CO 0.01 0.12 -0.01 -0.91 -0.73 0.00 0.00 179.01 177.49 1a80 h ASN 242 N 0.18 0.00 1.29 1.04 2.35 0.98 -2.73 115.58 118.69 1a80 h ASN 242 Ca 0.08 0.00 -0.08 0.00 -0.55 0.00 0.00 56.30 55.74 1a80 h ASN 242 Cb 0.03 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.39 1a80 h ASN 242 CO -0.07 0.01 -0.74 0.25 -1.65 0.00 0.00 177.43 175.23 1a80 h LEU 243 N 0.00 0.00 -7.85 1.61 5.85 -0.77 -3.41 115.31 110.75 1a80 h LEU 243 Ca -0.00 0.00 -0.73 0.00 0.84 0.00 0.00 57.88 57.99 1a80 h LEU 243 Cb 0.32 0.00 -0.19 0.00 0.37 0.00 0.00 40.66 41.16 1a80 h LEU 243 CO 0.00 0.34 0.87 -0.62 -0.34 0.00 0.00 178.44 178.70 1a80 s ASP 244 N -6.05 6.83 0.00 1.25 2.15 -1.03 -4.58 116.67 115.25 1a80 s ASP 244 Ca 0.02 -2.53 0.00 0.00 0.43 0.00 0.00 52.55 50.47 1a80 s ASP 244 Cb 0.08 -2.36 0.00 0.00 -0.30 0.00 0.00 42.92 40.34 1a80 s ASP 244 CO 0.76 -0.85 0.75 1.33 -0.17 0.00 0.00 175.17 176.99 1a80 n VAL 245 N 4.83 0.00 0.58 1.11 0.24 -1.26 -4.79 118.33 119.04 1a80 n VAL 245 Ca 0.27 0.00 0.11 0.00 -2.04 0.00 0.00 64.34 62.68 1a80 n VAL 245 Cb 0.46 0.30 0.15 0.00 -1.47 0.00 0.00 33.84 33.29 1a80 n VAL 245 CO 0.00 0.00 0.00 0.49 -2.14 0.00 0.00 176.83 175.18 1a80 n PHE 246 N 0.00 0.26 0.00 6.34 3.72 -1.26 -4.61 117.46 121.91 1a80 n PHE 246 Ca 0.00 -0.14 0.00 0.00 -0.05 0.00 0.00 57.45 57.26 1a80 n PHE 246 Cb 0.61 -0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.15 1a80 n PHE 246 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 1a80 n ASP 247 N 1.34 0.00 -3.15 4.37 8.00 -1.26 -4.96 116.55 120.90 1a80 n ASP 247 Ca 0.16 0.34 0.00 0.00 0.71 0.00 0.00 54.79 56.00 1a80 n ASP 247 Cb 0.57 -0.03 0.00 0.00 -0.02 0.00 0.00 41.12 41.65 1a80 n ASP 247 CO 0.00 0.00 0.00 2.22 -0.39 0.00 0.00 177.20 179.03 1a80 n PHE 248 N -0.58 -0.38 -3.26 1.24 -1.74 -1.26 -5.11 117.46 106.37 1a80 n PHE 248 Ca 0.00 0.00 0.03 0.00 -0.56 0.00 0.00 57.45 56.92 1a80 n PHE 248 Cb 0.00 0.00 -0.03 0.00 1.52 0.00 0.00 39.48 40.97 1a80 n PHE 248 CO 0.00 0.00 0.00 -0.51 -0.56 0.00 0.00 176.76 175.69 1a80 s ASP 249 N -1.20 -0.65 0.91 5.98 1.11 -1.26 -5.11 116.67 116.45 1a80 s ASP 249 Ca 0.00 0.60 -0.11 0.00 0.18 0.00 0.00 52.55 53.22 1a80 s ASP 249 Cb 0.00 1.62 0.14 0.00 1.07 0.00 0.00 42.92 45.75 1a80 s ASP 249 CO 0.00 -0.12 1.10 -0.76 1.18 0.00 0.00 175.17 176.57 1a80 s LEU 250 N 2.73 2.47 0.15 1.23 1.02 -1.26 -5.02 118.68 120.00 1a80 s LEU 250 Ca 0.02 1.85 -0.06 0.00 0.02 0.00 0.00 54.13 55.96 1a80 s LEU 250 Cb -0.09 -4.25 -0.06 0.00 0.02 0.00 0.00 46.19 41.81 1a80 s LEU 250 CO -0.15 -2.91 0.41 0.42 0.02 0.00 0.00 176.35 174.14 1a80 s THR 251 N -2.75 5.12 0.31 5.49 -4.23 -1.26 -4.93 115.64 113.39 1a80 s THR 251 Ca 0.65 0.14 0.03 0.00 -1.18 0.00 0.00 61.69 61.33 1a80 s THR 251 Cb -0.21 -3.62 0.39 0.00 1.34 0.00 0.00 72.50 70.40 1a80 s THR 251 CO 0.58 0.04 1.59 0.44 -0.54 0.00 0.00 174.62 176.73 1a80 h ASP 252 N 2.85 -0.34 0.04 3.99 5.19 -1.99 1.02 116.42 127.19 1a80 h ASP 252 Ca -0.46 0.26 -0.11 0.00 -0.62 0.00 0.00 57.03 56.10 1a80 h ASP 252 Cb 1.17 0.43 -0.01 0.00 0.18 0.00 0.00 39.33 41.09 1a80 h ASP 252 CO 0.71 -0.32 -0.35 0.74 -3.12 0.00 0.00 179.24 176.90 1a80 h THR 253 N 0.04 1.29 -0.17 0.35 2.02 -1.98 0.07 112.91 114.53 1a80 h THR 253 Ca 0.60 -1.44 -0.16 0.00 0.77 0.00 0.00 66.41 66.19 1a80 h THR 253 Cb 1.27 1.52 -0.01 0.00 -1.74 0.00 0.00 68.15 69.19 1a80 h THR 253 CO -0.86 0.45 -0.54 -0.33 0.37 0.00 0.00 175.52 174.61 1a80 h GLU 254 N 0.36 0.51 -0.41 6.66 5.08 0.56 -1.68 114.58 125.66 1a80 h GLU 254 Ca 0.04 -0.32 -0.14 0.00 -1.00 0.00 0.00 59.36 57.94 1a80 h GLU 254 Cb 0.79 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.06 1a80 h GLU 254 CO 0.06 0.92 -0.29 0.82 -1.00 0.00 0.00 179.01 179.52 1a80 h ILE 255 N 0.40 1.27 -0.83 3.13 2.04 -0.46 -2.61 117.51 120.45 1a80 h ILE 255 Ca 0.01 -1.45 -0.01 0.00 1.00 0.00 0.00 64.86 64.41 1a80 h ILE 255 Cb 1.07 1.27 -0.04 0.00 -0.74 0.00 0.00 36.82 38.38 1a80 h ILE 255 CO 0.10 0.49 0.49 0.00 0.00 0.00 0.00 178.15 179.23 1a80 h ALA 256 N 0.91 1.05 0.00 1.87 0.00 -0.87 -1.66 119.26 120.56 1a80 h ALA 256 Ca 0.08 -0.10 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 1a80 h ALA 256 Cb 0.85 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 1a80 h ALA 256 CO 0.08 0.53 -0.22 0.00 0.00 0.00 0.00 179.25 179.63 1a80 h ALA 257 N 1.26 1.48 0.20 0.00 0.00 -0.94 -2.00 119.26 119.25 1a80 h ALA 257 Ca 0.29 -0.20 -0.33 0.00 0.00 0.00 0.00 54.91 54.68 1a80 h ALA 257 Cb -0.03 -0.03 0.02 0.00 0.00 0.00 0.00 17.79 17.75 1a80 h ALA 257 CO -0.05 0.27 -1.54 0.82 0.00 0.00 0.00 179.25 178.75 1a80 h ILE 258 N 0.00 1.19 -0.73 0.00 2.04 -1.17 -3.30 117.51 115.53 1a80 h ILE 258 Ca -0.00 -2.71 0.05 0.00 1.00 0.00 0.00 64.86 63.20 1a80 h ILE 258 Cb 0.43 2.90 -0.04 0.00 -0.74 0.00 0.00 36.82 39.37 1a80 h ILE 258 CO 0.03 0.84 0.48 0.44 0.00 0.00 0.00 178.15 179.94 1a80 h ASP 259 N 0.11 0.72 0.27 1.72 3.32 -0.99 -0.42 116.42 121.15 1a80 h ASP 259 Ca -0.26 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.78 1a80 h ASP 259 Cb 2.10 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 41.49 1a80 h ASP 259 CO 0.22 0.48 0.00 0.00 -1.72 0.00 0.00 179.24 178.22 1a80 n ALA 260 N -2.44 1.82 0.40 3.45 0.00 -0.78 -2.47 120.51 120.49 1a80 n ALA 260 Ca 0.10 -0.07 0.13 0.00 0.00 0.00 0.00 53.44 53.61 1a80 n ALA 260 Cb 0.18 -1.24 0.49 0.00 0.00 0.00 0.00 19.45 18.88 1a80 n ALA 260 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.50 178.02 1a80 h MET 261 N 0.00 0.00 -6.34 0.00 2.86 -1.21 -3.41 114.93 106.83 1a80 h MET 261 Ca 0.00 0.00 -0.56 0.00 -2.06 0.00 0.00 59.70 57.08 1a80 h MET 261 Cb 0.14 0.00 -0.09 0.00 0.06 0.00 0.00 31.60 31.71 1a80 h MET 261 CO 0.00 0.00 0.95 0.34 1.06 0.00 0.00 176.91 179.26 1a80 s ASP 262 N -4.86 6.29 0.44 1.22 2.15 -1.03 -4.41 116.67 116.47 1a80 s ASP 262 Ca 0.05 -0.25 0.22 0.00 0.43 0.00 0.00 52.55 53.01 1a80 s ASP 262 Cb 0.09 -2.54 1.21 0.00 -0.30 0.00 0.00 42.92 41.38 1a80 s ASP 262 CO 0.50 -1.61 1.80 1.55 -0.17 0.00 0.00 175.17 177.24 1a80 h PRO 263 N 9.74 0.29 0.00 4.34 0.14 -1.80 -3.46 132.00 141.24 1a80 h PRO 263 Ca -0.27 -0.02 0.00 0.00 0.14 0.00 0.00 66.00 65.86 1a80 h PRO 263 Cb 1.06 -0.06 0.00 0.00 0.14 0.00 0.00 31.00 32.13 1a80 h PRO 263 CO 1.22 0.19 0.00 0.41 0.14 0.00 0.00 178.00 179.96 1a80 n GLY 264 N -1.55 0.67 1.21 1.56 0.00 -1.26 -4.90 105.19 100.91 1a80 n GLY 264 Ca 0.24 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.35 1a80 n GLY 264 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1a80 n ASP 265 N 0.00 3.93 -0.74 1.61 5.75 -1.26 -4.93 116.55 120.90 1a80 n ASP 265 Ca 0.00 -2.19 -0.10 0.00 -0.01 0.00 0.00 54.79 52.49 1a80 n ASP 265 Cb 0.00 -0.45 -0.04 0.00 -1.03 0.00 0.00 41.12 39.60 1a80 n ASP 265 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1a80 n GLY 266 N 1.08 1.08 0.09 6.12 0.00 -1.26 -4.89 105.19 107.42 1a80 n GLY 266 Ca 0.21 -0.32 0.13 0.00 0.00 0.00 0.00 46.02 46.04 1a80 n GLY 266 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1a80 n SER 267 N -0.20 0.70 -0.02 1.61 3.41 -1.26 -3.57 113.62 114.29 1a80 n SER 267 Ca -0.10 0.57 0.15 0.00 -0.26 0.00 0.00 58.87 59.23 1a80 n SER 267 Cb 0.39 -0.76 0.74 0.00 -0.26 0.00 0.00 64.21 64.32 1a80 n SER 267 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1a80 n GLY 268 N 1.23 -1.22 3.76 5.00 0.00 -1.21 -4.90 105.19 107.85 1a80 n GLY 268 Ca 0.05 -0.17 -0.41 0.00 0.00 0.00 0.00 46.02 45.49 1a80 n GLY 268 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1a80 n ARG 269 N -1.23 2.69 -0.02 1.61 0.63 -1.23 -4.51 116.66 114.60 1a80 n ARG 269 Ca 0.15 0.95 -0.02 0.00 -0.92 0.00 0.00 57.85 58.01 1a80 n ARG 269 Cb 0.24 -2.72 -0.04 0.00 0.45 0.00 0.00 32.46 30.39 1a80 n ARG 269 CO 0.00 0.00 0.00 1.55 -2.51 0.00 0.00 177.63 176.67 1a80 n VAL 270 N 1.55 0.31 -3.53 5.15 3.14 -1.26 -5.07 118.33 118.62 1a80 n VAL 270 Ca 0.06 -0.22 0.00 0.00 -2.96 0.00 0.00 64.34 61.22 1a80 n VAL 270 Cb 0.37 -0.61 0.00 0.00 -1.06 0.00 0.00 33.84 32.54 1a80 n VAL 270 CO 0.00 0.00 0.00 -0.24 -6.46 0.00 0.00 176.83 170.13 1a80 n SER 271 N -2.11 1.08 -4.77 6.55 2.88 -1.26 -5.09 113.62 110.91 1a80 n SER 271 Ca -0.08 -0.99 -0.40 0.00 -1.33 0.00 0.00 58.87 56.07 1a80 n SER 271 Cb 0.58 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 64.01 1a80 n SER 271 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1a80 s ALA 272 N -2.00 3.41 0.04 -1.46 0.00 -1.26 -5.05 121.76 115.44 1a80 s ALA 272 Ca 0.00 1.07 -0.19 0.00 0.00 0.00 0.00 51.96 52.84 1a80 s ALA 272 Cb 0.00 -3.40 -0.06 0.00 0.00 0.00 0.00 23.12 19.66 1a80 s ALA 272 CO 0.00 -0.43 0.55 -1.58 0.00 0.00 0.00 175.76 174.30 1a80 s HIS 273 N -1.19 3.75 0.41 0.00 2.46 -1.26 -4.99 115.29 114.48 1a80 s HIS 273 Ca 0.48 1.20 0.18 0.00 0.47 0.00 0.00 55.06 57.38 1a80 s HIS 273 Cb -0.35 -2.50 1.08 0.00 -0.13 0.00 0.00 32.58 30.68 1a80 s HIS 273 CO 0.46 0.52 1.84 -1.35 -2.47 0.00 0.00 174.74 173.74 1a80 h PRO 274 N 4.92 0.40 0.00 2.88 0.11 -1.95 0.15 132.00 138.51 1a80 h PRO 274 Ca -0.48 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.60 1a80 h PRO 274 Cb 1.21 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.23 1a80 h PRO 274 CO 0.65 0.27 0.00 -0.25 -0.21 0.00 0.00 178.00 178.46 1a80 n ASP 275 N -4.53 0.00 0.00 -2.05 8.00 -1.26 -2.33 116.55 114.38 1a80 n ASP 275 Ca 0.20 -0.91 0.00 0.00 0.71 0.00 0.00 54.79 54.80 1a80 n ASP 275 Cb 0.73 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.83 1a80 n ASP 275 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1a80 n GLU 276 N -0.51 2.08 -3.52 -1.24 1.02 0.52 -5.00 120.64 114.00 1a80 n GLU 276 Ca 0.00 -0.14 -0.41 0.00 -0.02 0.00 0.00 57.16 56.59 1a80 n GLU 276 Cb 0.00 -0.54 -0.10 0.00 -0.02 0.00 0.00 31.44 30.77 1a80 n GLU 276 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1a80 s VAL 277 N -0.34 5.28 -2.88 2.62 1.01 -0.99 -5.00 120.40 120.10 1a80 s VAL 277 Ca 0.00 -0.24 0.25 0.00 0.00 0.00 0.00 61.98 61.99 1a80 s VAL 277 Cb 0.00 -3.74 0.28 0.00 0.00 0.00 0.00 36.38 32.92 1a80 s VAL 277 CO 0.00 -0.04 1.38 0.47 0.00 0.00 0.00 175.10 176.91