#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2a81 s VAL 2 N 0.00 -0.02 0.14 2.03 -7.23 -1.26 0.11 120.40 114.18 2a81 s VAL 2 Ca 0.00 0.07 -0.14 0.00 -1.81 0.00 0.00 61.98 60.10 2a81 s VAL 2 Cb 0.00 -0.38 -0.07 0.00 0.56 0.00 0.00 36.38 36.49 2a81 s VAL 2 CO 0.00 0.03 0.55 -0.36 -0.31 0.00 0.00 175.10 175.00 2a81 s PHE 3 N 0.68 3.61 -0.21 2.82 0.08 0.29 -4.89 117.98 120.37 2a81 s PHE 3 Ca -0.05 1.06 0.01 0.00 0.12 0.00 0.00 56.93 58.08 2a81 s PHE 3 Cb -0.06 -2.37 0.04 0.00 -0.57 0.00 0.00 43.02 40.07 2a81 s PHE 3 CO -0.04 0.43 -0.12 -1.21 -0.10 0.00 0.00 175.22 174.18 2a81 s GLU 4 N -1.94 2.26 0.44 0.44 2.02 -1.26 -0.92 118.70 119.74 2a81 s GLU 4 Ca 0.37 -0.93 0.03 0.00 0.02 0.00 0.00 54.97 54.47 2a81 s GLU 4 Cb -0.15 -2.52 -0.02 0.00 0.10 0.00 0.00 34.13 31.54 2a81 s GLU 4 CO 0.19 -0.41 0.11 -1.21 0.02 0.00 0.00 175.26 173.96 2a81 s GLU 5 N 1.32 2.03 -0.04 1.61 0.41 -0.67 -4.97 118.70 118.39 2a81 s GLU 5 Ca -0.01 -2.26 0.01 0.00 -0.41 0.00 0.00 54.97 52.30 2a81 s GLU 5 Cb -0.16 -0.81 0.02 0.00 -1.78 0.00 0.00 34.13 31.40 2a81 s GLU 5 CO -0.09 -0.48 -0.03 -0.80 -0.49 0.00 0.00 175.26 173.37 2a81 s ASN 6 N -3.69 0.75 -0.96 -0.19 -0.87 -1.26 -0.82 114.94 107.90 2a81 s ASN 6 Ca 0.18 -0.10 -0.03 0.00 -1.57 0.00 0.00 52.86 51.35 2a81 s ASN 6 Cb 0.02 -0.35 0.26 0.00 -0.02 0.00 0.00 41.25 41.16 2a81 s ASN 6 CO 0.12 -0.05 1.05 -0.24 -2.57 0.00 0.00 177.10 175.40 2a81 n SER 7 N 3.94 5.06 0.00 -1.22 2.88 0.29 -5.00 113.62 119.57 2a81 n SER 7 Ca -0.25 -3.24 0.00 0.00 -1.33 0.00 0.00 58.87 54.06 2a81 n SER 7 Cb 0.51 -1.13 0.00 0.00 -0.75 0.00 0.00 64.21 62.84 2a81 n SER 7 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 2a81 n ASP 8 N 1.90 0.00 0.00 -3.46 8.00 -1.26 -2.21 116.55 119.52 2a81 n ASP 8 Ca 0.25 0.00 0.05 0.00 0.71 0.00 0.00 54.79 55.80 2a81 n ASP 8 Cb 0.37 0.00 0.25 0.00 -0.02 0.00 0.00 41.12 41.72 2a81 n ASP 8 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2a81 n GLU 9 N 14.00 0.03 -3.27 -1.24 -0.58 -1.26 -4.58 120.64 123.74 2a81 n GLU 9 Ca 0.00 0.28 -0.39 0.00 -0.42 0.00 0.00 57.16 56.64 2a81 n GLU 9 Cb 0.00 -1.50 -0.06 0.00 -0.57 0.00 0.00 31.44 29.31 2a81 n GLU 9 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 2a81 s VAL 10 N -2.92 5.14 -0.12 2.62 1.01 -0.94 -0.31 120.40 124.87 2a81 s VAL 10 Ca 0.06 0.95 -0.14 0.00 0.00 0.00 0.00 61.98 62.86 2a81 s VAL 10 Cb 0.07 -3.83 -0.05 0.00 0.00 0.00 0.00 36.38 32.57 2a81 s VAL 10 CO 0.20 0.23 0.32 -0.60 0.00 0.00 0.00 175.10 175.26 2a81 s ARG 11 N 1.26 4.13 -0.23 2.72 6.06 -0.43 -0.55 118.95 131.91 2a81 s ARG 11 Ca 0.25 0.18 -0.00 0.00 -2.50 0.00 0.00 55.73 53.65 2a81 s ARG 11 Cb -0.15 -3.37 0.03 0.00 0.06 0.00 0.00 34.95 31.52 2a81 s ARG 11 CO 0.10 0.36 -0.10 0.08 -2.50 0.00 0.00 175.30 173.24 2a81 s VAL 12 N 0.07 2.62 -0.32 7.11 1.01 -0.00 -1.32 120.40 129.57 2a81 s VAL 12 Ca 0.19 -1.06 -0.12 0.00 0.00 0.00 0.00 61.98 60.99 2a81 s VAL 12 Cb -0.14 -2.30 -0.03 0.00 0.00 0.00 0.00 36.38 33.91 2a81 s VAL 12 CO 0.06 0.26 0.21 -0.63 0.00 0.00 0.00 175.10 175.00 2a81 s ILE 13 N 1.29 5.15 -0.25 2.22 1.01 0.48 -1.67 121.20 129.43 2a81 s ILE 13 Ca 0.00 -0.14 -0.06 0.00 0.00 0.00 0.00 60.65 60.46 2a81 s ILE 13 Cb -0.16 -3.58 -0.01 0.00 0.01 0.00 0.00 42.46 38.72 2a81 s ILE 13 CO -0.06 0.09 0.02 -0.89 0.00 0.00 0.00 174.94 174.10 2a81 s THR 14 N 1.71 3.82 0.22 2.92 2.01 -0.10 -1.06 115.64 125.16 2a81 s THR 14 Ca 0.06 -0.43 -0.30 0.00 0.31 0.00 0.00 61.69 61.33 2a81 s THR 14 Cb -0.17 -2.81 -0.09 0.00 0.01 0.00 0.00 72.50 69.44 2a81 s THR 14 CO 0.10 0.32 1.35 -0.76 -0.69 0.00 0.00 174.62 174.93 2a81 s LEU 15 N 1.53 4.41 -0.38 4.42 1.43 0.22 -0.55 118.68 129.76 2a81 s LEU 15 Ca 0.05 2.50 0.11 0.00 -1.03 0.00 0.00 54.13 55.75 2a81 s LEU 15 Cb -0.15 -3.62 0.33 0.00 0.03 0.00 0.00 46.19 42.78 2a81 s LEU 15 CO 0.00 -0.58 0.73 -0.67 0.23 0.00 0.00 176.35 176.07 2a81 n ASP 16 N 2.42 0.36 -4.77 2.29 2.03 0.12 -4.53 116.55 114.47 2a81 n ASP 16 Ca 0.06 -3.02 -0.36 0.00 0.52 0.00 0.00 54.79 51.98 2a81 n ASP 16 Cb 0.42 -0.35 -0.01 0.00 -0.72 0.00 0.00 41.12 40.47 2a81 n ASP 16 CO 0.00 0.00 0.00 -2.28 -1.92 0.00 0.00 177.20 173.00 2a81 s HIS 17 N -1.91 2.81 0.34 -0.67 5.65 -1.25 -4.55 115.29 115.71 2a81 s HIS 17 Ca 0.37 1.54 0.14 0.00 0.25 0.00 0.00 55.06 57.36 2a81 s HIS 17 Cb 0.31 -3.34 1.05 0.00 -1.18 0.00 0.00 32.58 29.42 2a81 s HIS 17 CO -0.09 -1.50 1.68 -1.35 -0.65 0.00 0.00 174.74 172.83 2a81 h PRO 18 N 1.74 0.37 -6.51 2.88 0.11 -1.98 -3.40 132.00 125.22 2a81 h PRO 18 Ca -0.50 -0.02 -0.53 0.00 0.11 0.00 0.00 66.00 65.07 2a81 h PRO 18 Cb 1.25 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 32.26 2a81 h PRO 18 CO 0.59 0.25 0.38 1.21 -0.21 0.00 0.00 178.00 180.22 2a81 s ASN 19 N -4.97 7.41 0.59 -2.05 3.84 -1.26 -4.94 114.94 113.56 2a81 s ASN 19 Ca -0.10 1.77 0.29 0.00 0.21 0.00 0.00 52.86 55.03 2a81 s ASN 19 Cb 0.29 -2.58 1.72 0.00 -0.55 0.00 0.00 41.25 40.13 2a81 s ASN 19 CO 0.79 -0.17 2.18 0.07 -2.79 0.00 0.00 177.10 177.18 2a81 h LYS 20 N 6.09 0.00 -0.43 0.43 2.10 -1.97 -1.15 116.57 121.64 2a81 h LYS 20 Ca -0.42 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.23 2a81 h LYS 20 Cb 1.21 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.54 2a81 h LYS 20 CO 0.74 0.00 0.00 0.72 -2.00 0.00 0.00 179.45 178.91 2a81 n HIS 21 N -3.86 0.57 -3.97 0.07 8.25 -1.26 -2.16 115.22 112.86 2a81 n HIS 21 Ca -0.01 -0.27 -0.35 0.00 -0.26 0.00 0.00 57.72 56.83 2a81 n HIS 21 Cb 0.20 -0.03 0.00 0.00 1.12 0.00 0.00 29.99 31.28 2a81 n HIS 21 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 2a81 n ASN 22 N 0.62 -2.90 -4.77 0.41 3.02 -0.44 -0.75 115.26 110.45 2a81 n ASN 22 Ca 0.13 -1.15 -0.38 0.00 -0.03 0.00 0.00 54.58 53.15 2a81 n ASN 22 Cb 0.37 -2.48 -0.02 0.00 -0.61 0.00 0.00 39.78 37.04 2a81 n ASN 22 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 2a81 s PRO 23 N -6.80 3.99 -1.06 3.52 0.04 -1.26 -3.83 135.00 129.60 2a81 s PRO 23 Ca 0.31 1.85 -0.22 0.00 0.04 0.00 0.00 61.00 62.98 2a81 s PRO 23 Cb -0.14 -2.63 0.04 0.00 0.04 0.00 0.00 34.50 31.81 2a81 s PRO 23 CO 0.92 -0.37 1.54 -0.06 0.04 0.00 0.00 177.00 179.07 2a81 s PHE 24 N -1.43 2.51 0.69 0.56 0.08 0.12 -4.78 117.98 115.73 2a81 s PHE 24 Ca 0.58 -0.85 -0.10 0.00 0.12 0.00 0.00 56.93 56.67 2a81 s PHE 24 Cb -0.31 -4.65 0.02 0.00 -0.57 0.00 0.00 43.02 37.50 2a81 s PHE 24 CO 0.39 -1.89 1.06 -1.54 -0.10 0.00 0.00 175.22 173.14 2a81 s SER 25 N 5.08 5.43 0.35 1.36 1.04 -1.26 -2.22 113.70 123.48 2a81 s SER 25 Ca 0.49 1.02 0.05 0.00 0.48 0.00 0.00 55.95 58.00 2a81 s SER 25 Cb 0.00 -1.84 0.71 0.00 0.10 0.00 0.00 66.02 64.99 2a81 s SER 25 CO -0.06 -1.31 1.96 -0.09 0.98 0.00 0.00 173.24 174.71 2a81 h ARG 26 N -0.58 0.77 -0.64 4.02 2.43 -1.99 -1.55 114.38 116.84 2a81 h ARG 26 Ca -0.45 -0.05 -0.06 0.00 -0.81 0.00 0.00 59.98 58.62 2a81 h ARG 26 Cb 1.26 -0.17 -0.03 0.00 -0.42 0.00 0.00 29.97 30.61 2a81 h ARG 26 CO 0.63 0.51 0.18 1.15 -1.51 0.00 0.00 179.97 180.94 2a81 h THR 27 N 0.80 1.25 -0.37 0.20 2.02 -1.98 -2.63 112.91 112.20 2a81 h THR 27 Ca 0.31 -0.88 -0.08 0.00 0.77 0.00 0.00 66.41 66.53 2a81 h THR 27 Cb 0.22 0.60 -0.01 0.00 -1.74 0.00 0.00 68.15 67.22 2a81 h THR 27 CO -0.10 0.34 -0.10 0.25 0.37 0.00 0.00 175.52 176.27 2a81 h LEU 28 N 0.93 0.72 -0.28 2.58 5.85 -1.69 -2.36 115.31 121.07 2a81 h LEU 28 Ca 0.20 -0.37 0.05 0.00 0.84 0.00 0.00 57.88 58.60 2a81 h LEU 28 Cb 0.32 -0.20 -0.08 0.00 0.37 0.00 0.00 40.66 41.08 2a81 h LEU 28 CO -0.00 0.93 -0.49 -0.33 -0.34 0.00 0.00 178.44 178.20 2a81 h GLU 29 N 0.51 -0.43 -0.45 1.25 5.08 -1.23 -0.66 114.58 118.65 2a81 h GLU 29 Ca 0.09 0.03 0.08 0.00 -1.00 0.00 0.00 59.36 58.56 2a81 h GLU 29 Cb 0.62 0.10 -0.10 0.00 0.50 0.00 0.00 28.75 29.87 2a81 h GLU 29 CO 0.04 -0.29 -0.36 1.15 -1.00 0.00 0.00 179.01 178.55 2a81 h THR 30 N -0.45 0.18 -0.26 1.13 2.02 -1.30 0.14 112.91 114.37 2a81 h THR 30 Ca 0.08 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.30 2a81 h THR 30 Cb 0.63 0.18 -0.04 0.00 -1.74 0.00 0.00 68.15 67.18 2a81 h THR 30 CO -0.51 0.00 0.03 0.28 0.37 0.00 0.00 175.52 175.69 2a81 h SER 31 N -0.25 -0.05 -0.80 4.18 0.02 -0.97 0.92 113.55 116.61 2a81 h SER 31 Ca 0.18 0.05 -0.02 0.00 -0.84 0.00 0.00 61.79 61.16 2a81 h SER 31 Cb 0.55 0.08 -0.04 0.00 0.14 0.00 0.00 62.40 63.14 2a81 h SER 31 CO -0.58 0.01 0.43 0.58 -1.14 0.00 0.00 176.83 176.12 2a81 h VAL 32 N 0.11 1.24 -0.26 2.27 2.07 0.05 0.40 116.25 122.13 2a81 h VAL 32 Ca 0.12 -0.61 -0.04 0.00 0.82 0.00 0.00 66.70 67.00 2a81 h VAL 32 Cb 0.15 0.19 -0.01 0.00 -1.52 0.00 0.00 31.29 30.09 2a81 h VAL 32 CO -0.19 0.27 0.02 0.11 0.02 0.00 0.00 177.57 177.80 2a81 h LYS 33 N 1.11 0.45 -0.80 1.57 1.57 -0.24 -2.11 116.57 118.12 2a81 h LYS 33 Ca 0.28 -0.13 -0.04 0.00 -1.87 0.00 0.00 60.65 58.89 2a81 h LYS 33 Cb 0.05 -0.05 -0.04 0.00 0.08 0.00 0.00 32.23 32.27 2a81 h LYS 33 CO -0.04 0.59 0.36 -0.44 -0.57 0.00 0.00 179.45 179.34 2a81 h ASP 34 N 0.24 1.07 -0.55 0.86 3.32 -0.39 -0.78 116.42 120.19 2a81 h ASP 34 Ca 0.08 -0.15 -0.10 0.00 0.02 0.00 0.00 57.03 56.88 2a81 h ASP 34 Cb 0.37 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.62 2a81 h ASP 34 CO 0.01 0.93 -0.03 0.00 -1.72 0.00 0.00 179.24 178.43 2a81 h ALA 35 N 1.19 0.87 -0.68 3.45 0.00 -0.90 -1.74 119.26 121.45 2a81 h ALA 35 Ca 0.27 -0.31 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 2a81 h ALA 35 Cb 0.16 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 2a81 h ALA 35 CO -0.03 0.66 0.26 -0.07 0.00 0.00 0.00 179.25 180.07 2a81 h LEU 36 N 0.92 0.96 0.27 0.00 4.07 -1.08 -1.31 115.31 119.15 2a81 h LEU 36 Ca 0.16 -0.18 -0.01 0.00 0.08 0.00 0.00 57.88 57.93 2a81 h LEU 36 Cb 0.57 -0.25 0.00 0.00 1.08 0.00 0.00 40.66 42.06 2a81 h LEU 36 CO 0.03 0.88 -0.14 0.00 -1.08 0.00 0.00 178.44 178.13 2a81 h ALA 37 N 1.12 -0.38 -0.61 1.53 0.00 -0.85 -1.17 119.26 118.91 2a81 h ALA 37 Ca 0.23 -0.08 0.05 0.00 0.00 0.00 0.00 54.91 55.11 2a81 h ALA 37 Cb 0.23 0.16 -0.05 0.00 0.00 0.00 0.00 17.79 18.13 2a81 h ALA 37 CO -0.02 -0.72 0.34 0.00 0.00 0.00 0.00 179.25 178.85 2a81 h ARG 38 N -0.38 0.62 -0.75 0.00 3.08 -1.27 -0.09 114.38 115.59 2a81 h ARG 38 Ca -0.03 -0.04 -0.03 0.00 0.07 0.00 0.00 59.98 59.95 2a81 h ARG 38 Cb 0.30 -0.14 -0.03 0.00 0.08 0.00 0.00 29.97 30.18 2a81 h ARG 38 CO 0.05 0.41 0.34 0.00 -1.07 0.00 0.00 179.97 179.70 2a81 h ALA 39 N 1.31 0.96 -0.36 0.04 0.00 -1.05 0.21 119.26 120.38 2a81 h ALA 39 Ca 0.27 -0.16 -0.16 0.00 0.00 0.00 0.00 54.91 54.86 2a81 h ALA 39 Cb 0.14 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 2a81 h ALA 39 CO -0.16 0.55 -0.39 -0.97 0.00 0.00 0.00 179.25 178.27 2a81 h ASN 40 N 1.06 0.93 1.62 0.00 -1.24 -0.92 -3.13 115.58 113.89 2a81 h ASN 40 Ca 0.25 -0.43 0.00 0.00 0.71 0.00 0.00 56.30 56.84 2a81 h ASN 40 Cb 0.15 -0.26 0.00 0.00 0.73 0.00 0.00 38.32 38.94 2a81 h ASN 40 CO -0.03 1.20 0.00 0.00 -1.29 0.00 0.00 177.43 177.32 2a81 h ALA 41 N 0.84 1.00 -2.37 1.57 0.00 -0.72 -3.44 119.26 116.13 2a81 h ALA 41 Ca 0.06 0.00 -0.60 0.00 0.00 0.00 0.00 54.91 54.36 2a81 h ALA 41 Cb 0.97 0.00 -0.10 0.00 0.00 0.00 0.00 17.79 18.66 2a81 h ALA 41 CO 0.09 0.00 0.31 0.34 0.00 0.00 0.00 179.25 180.00 2a81 s ASP 42 N -5.78 6.68 0.40 0.00 -1.08 0.03 -4.95 116.67 111.97 2a81 s ASP 42 Ca 0.06 0.81 0.20 0.00 -0.52 0.00 0.00 52.55 53.10 2a81 s ASP 42 Cb 0.07 -2.38 0.79 0.00 -1.46 0.00 0.00 42.92 39.94 2a81 s ASP 42 CO 0.61 -0.47 1.78 0.44 0.52 0.00 0.00 175.17 178.06 2a81 h ASP 43 N 7.86 0.00 0.29 -0.34 3.32 -1.86 -2.57 116.42 123.12 2a81 h ASP 43 Ca -0.25 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 56.78 2a81 h ASP 43 Cb 1.11 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.65 2a81 h ASP 43 CO 0.83 0.32 -0.08 0.77 -1.72 0.00 0.00 179.24 179.36 2a81 h SER 44 N 0.00 0.00 -3.36 6.45 4.64 -1.94 -3.41 113.55 115.93 2a81 h SER 44 Ca -0.00 0.00 -0.56 0.00 -0.47 0.00 0.00 61.79 60.76 2a81 h SER 44 Cb 0.81 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.85 2a81 h SER 44 CO 0.04 0.08 0.06 -0.69 -0.87 0.00 0.00 176.83 175.45 2a81 s VAL 45 N -4.25 5.00 0.00 0.95 1.01 -0.97 -4.50 120.40 117.64 2a81 s VAL 45 Ca -0.03 1.40 0.00 0.00 0.00 0.00 0.00 61.98 63.35 2a81 s VAL 45 Cb 0.13 -4.02 0.00 0.00 0.00 0.00 0.00 36.38 32.50 2a81 s VAL 45 CO 0.56 0.30 0.18 0.54 0.00 0.00 0.00 175.10 176.68 2a81 n ARG 46 N 3.48 3.45 -3.52 2.72 1.74 0.57 -4.90 116.66 120.21 2a81 n ARG 46 Ca -0.03 -0.18 -0.13 0.00 -0.77 0.00 0.00 57.85 56.74 2a81 n ARG 46 Cb 0.51 -0.65 -0.04 0.00 -1.02 0.00 0.00 32.46 31.25 2a81 n ARG 46 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2a81 s ALA 47 N -0.54 -1.80 -0.04 7.54 0.00 -1.20 -4.16 121.76 121.56 2a81 s ALA 47 Ca 0.00 1.21 0.03 0.00 0.00 0.00 0.00 51.96 53.19 2a81 s ALA 47 Cb 0.00 0.02 0.01 0.00 0.00 0.00 0.00 23.12 23.14 2a81 s ALA 47 CO 0.00 -0.47 -0.11 0.08 0.00 0.00 0.00 175.76 175.25 2a81 s VAL 48 N -1.92 1.01 -0.13 0.00 1.01 -0.29 -1.31 120.40 118.77 2a81 s VAL 48 Ca -0.04 -0.45 0.02 0.00 0.00 0.00 0.00 61.98 61.51 2a81 s VAL 48 Cb -0.00 -0.91 -0.00 0.00 0.00 0.00 0.00 36.38 35.47 2a81 s VAL 48 CO 0.01 0.31 -0.20 -0.69 0.00 0.00 0.00 175.10 174.53 2a81 s VAL 49 N 0.36 2.35 -0.12 2.92 1.01 -0.43 -0.79 120.40 125.70 2a81 s VAL 49 Ca -0.07 -0.90 -0.02 0.00 0.00 0.00 0.00 61.98 60.99 2a81 s VAL 49 Cb -0.12 -1.94 -0.03 0.00 0.00 0.00 0.00 36.38 34.29 2a81 s VAL 49 CO 0.02 0.54 -0.05 -0.69 0.00 0.00 0.00 175.10 174.92 2a81 s VAL 50 N 0.56 3.78 -0.07 2.92 1.01 -0.58 -0.39 120.40 127.64 2a81 s VAL 50 Ca -0.12 -0.42 -0.06 0.00 0.00 0.00 0.00 61.98 61.39 2a81 s VAL 50 Cb -0.16 -2.61 0.02 0.00 0.00 0.00 0.00 36.38 33.62 2a81 s VAL 50 CO 0.04 0.54 0.18 -0.47 0.00 0.00 0.00 175.10 175.38 2a81 s TYR 51 N -0.09 -0.20 0.25 5.22 5.04 -0.22 -1.19 117.35 126.15 2a81 s TYR 51 Ca 0.01 0.48 0.16 0.00 -2.44 0.00 0.00 57.07 55.29 2a81 s TYR 51 Cb -0.13 0.06 0.64 0.00 0.35 0.00 0.00 41.96 42.88 2a81 s TYR 51 CO 0.03 -0.10 1.73 0.78 -1.34 0.00 0.00 175.55 176.65 2a81 h GLY 52 N 5.97 0.00 0.00 8.97 0.00 -1.81 0.65 103.07 116.85 2a81 h GLY 52 Ca -0.27 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.06 2a81 h GLY 52 CO 0.40 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.55 2a81 n GLY 53 N 0.07 2.84 3.72 4.60 0.00 -1.26 -4.31 105.19 110.86 2a81 n GLY 53 Ca -0.01 -1.87 -0.42 0.00 0.00 0.00 0.00 46.02 43.73 2a81 n GLY 53 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2a81 s ALA 54 N -2.60 3.83 -1.63 4.61 0.00 -1.26 -2.06 121.76 122.65 2a81 s ALA 54 Ca 0.00 1.48 -0.01 0.00 0.00 0.00 0.00 51.96 53.43 2a81 s ALA 54 Cb 0.00 -3.65 0.00 0.00 0.00 0.00 0.00 23.12 19.47 2a81 s ALA 54 CO 0.00 -0.86 0.13 0.39 0.00 0.00 0.00 175.76 175.42 2a81 n GLU 55 N 3.67 -2.44 -4.11 0.00 1.02 -1.26 -4.98 120.64 112.55 2a81 n GLU 55 Ca 0.14 0.92 -0.15 0.00 -0.02 0.00 0.00 57.16 58.04 2a81 n GLU 55 Cb 0.37 -5.62 -0.12 0.00 -0.02 0.00 0.00 31.44 26.06 2a81 n GLU 55 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 2a81 s ARG 56 N -5.20 0.64 0.35 3.49 0.52 -0.88 -5.01 118.95 112.87 2a81 s ARG 56 Ca 0.07 -0.83 -0.25 0.00 -0.52 0.00 0.00 55.73 54.20 2a81 s ARG 56 Cb -0.03 -0.51 -0.10 0.00 0.52 0.00 0.00 34.95 34.83 2a81 s ARG 56 CO 0.09 0.10 0.94 -1.12 0.02 0.00 0.00 175.30 175.34 2a81 s SER 57 N -1.63 7.25 0.14 0.23 0.01 -0.92 -4.15 113.70 114.63 2a81 s SER 57 Ca -0.07 1.80 -0.26 0.00 1.31 0.00 0.00 55.95 58.74 2a81 s SER 57 Cb -0.10 -2.57 -0.02 0.00 0.21 0.00 0.00 66.02 63.55 2a81 s SER 57 CO 0.01 -0.13 1.61 0.15 0.41 0.00 0.00 173.24 175.29 2a81 h PHE 58 N 2.88 -0.87 -1.15 2.43 3.57 -0.99 -3.39 116.94 119.42 2a81 h PHE 58 Ca -0.47 0.04 0.19 0.00 3.53 0.00 0.00 57.97 61.26 2a81 h PHE 58 Cb 1.19 0.41 -0.32 0.00 2.79 0.00 0.00 35.95 40.01 2a81 h PHE 58 CO 0.62 -0.39 0.69 0.45 -2.23 0.00 0.00 178.31 177.44 2a81 s SER 59 N -4.93 -0.14 -0.13 0.41 0.15 -1.00 -4.59 113.70 103.46 2a81 s SER 59 Ca -0.15 0.23 -0.00 0.00 0.70 0.00 0.00 55.95 56.72 2a81 s SER 59 Cb 0.11 1.03 0.10 0.00 -1.71 0.00 0.00 66.02 65.55 2a81 s SER 59 CO 0.66 -0.04 1.87 0.00 1.20 0.00 0.00 173.24 176.93 2a81 n ALA 60 N 3.15 4.25 0.00 5.45 0.00 0.07 -2.14 120.51 131.29 2a81 n ALA 60 Ca -0.17 -0.70 0.00 0.00 0.00 0.00 0.00 53.44 52.57 2a81 n ALA 60 Cb 0.56 -1.15 0.00 0.00 0.00 0.00 0.00 19.45 18.87 2a81 n ALA 60 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2a81 n GLY 61 N 0.85 -1.57 3.70 0.00 0.00 -1.05 -4.71 105.19 102.42 2a81 n GLY 61 Ca 0.13 -1.37 -0.29 0.00 0.00 0.00 0.00 46.02 44.49 2a81 n GLY 61 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2a81 s GLY 62 N -0.06 1.61 -0.42 -0.02 0.00 -1.26 0.10 107.32 107.27 2a81 s GLY 62 Ca 0.00 -0.81 -0.28 0.00 0.00 0.00 0.00 44.72 43.63 2a81 s GLY 62 CO 0.00 -0.05 1.05 -0.35 0.00 0.00 0.00 173.10 173.75 2a81 s ASP 63 N -4.01 6.69 0.59 1.64 -1.08 -0.94 -4.38 116.67 115.18 2a81 s ASP 63 Ca 0.69 0.57 0.29 0.00 -0.52 0.00 0.00 52.55 53.57 2a81 s ASP 63 Cb -0.11 -2.52 1.48 0.00 -1.46 0.00 0.00 42.92 40.31 2a81 s ASP 63 CO 0.55 -1.06 1.90 0.15 0.52 0.00 0.00 175.17 177.23 2a81 h PHE 64 N 8.81 0.00 -0.42 -5.34 3.57 -1.93 0.66 116.94 122.29 2a81 h PHE 64 Ca -0.23 0.00 -0.09 0.00 3.53 0.00 0.00 57.97 61.19 2a81 h PHE 64 Cb 1.07 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.79 2a81 h PHE 64 CO 0.90 0.00 -0.07 -0.91 -2.23 0.00 0.00 178.31 176.00 2a81 h ASN 65 N 0.00 0.80 0.66 0.41 2.35 -1.99 -1.39 115.58 116.42 2a81 h ASN 65 Ca 0.21 -0.35 -0.03 0.00 -0.55 0.00 0.00 56.30 55.58 2a81 h ASN 65 Cb 1.16 -0.22 0.01 0.00 0.05 0.00 0.00 38.32 39.32 2a81 h ASN 65 CO -0.00 0.96 -0.32 -0.33 -1.65 0.00 0.00 177.43 176.09 2a81 h GLU 66 N 0.62 -0.85 0.04 0.81 3.07 -1.32 -3.18 114.58 113.76 2a81 h GLU 66 Ca 0.11 0.06 0.02 0.00 -0.50 0.00 0.00 59.36 59.05 2a81 h GLU 66 Cb 0.59 0.19 -0.05 0.00 -0.84 0.00 0.00 28.75 28.65 2a81 h GLU 66 CO 0.04 -0.57 -0.50 -0.24 -1.40 0.00 0.00 179.01 176.34 2a81 h VAL 67 N -1.06 0.00 -0.22 3.13 3.04 -1.21 -0.66 116.25 119.28 2a81 h VAL 67 Ca -0.09 0.00 0.06 0.00 -1.01 0.00 0.00 66.70 65.66 2a81 h VAL 67 Cb 0.68 0.00 -0.01 0.00 -2.01 0.00 0.00 31.29 29.95 2a81 h VAL 67 CO 0.15 0.00 0.17 0.07 -1.01 0.00 0.00 177.57 176.95 2a81 h LYS 68 N -0.66 0.00 -0.97 4.17 2.10 -1.44 -2.35 116.57 117.42 2a81 h LYS 68 Ca 0.01 0.00 -0.21 0.00 -2.00 0.00 0.00 60.65 58.45 2a81 h LYS 68 Cb 0.69 0.00 -0.12 0.00 -0.90 0.00 0.00 32.23 31.89 2a81 h LYS 68 CO -0.31 0.00 0.26 0.94 -2.00 0.00 0.00 179.45 178.34 2a81 n GLN 69 N -4.31 1.81 -3.80 0.07 7.27 -0.26 -4.87 117.38 113.29 2a81 n GLN 69 Ca 0.02 -1.45 -0.37 0.00 0.07 0.00 0.00 57.00 55.27 2a81 n GLN 69 Cb 0.31 -1.62 -0.13 0.00 2.41 0.00 0.00 30.24 31.22 2a81 n GLN 69 CO 0.00 0.00 0.00 -0.51 0.07 0.00 0.00 177.06 176.62 2a81 s LEU 70 N -1.53 3.81 0.13 1.69 1.43 -0.89 -4.94 118.68 118.37 2a81 s LEU 70 Ca 0.27 -0.82 0.00 0.00 -1.03 0.00 0.00 54.13 52.55 2a81 s LEU 70 Cb 0.22 -1.84 0.00 0.00 0.03 0.00 0.00 46.19 44.61 2a81 s LEU 70 CO 0.06 -0.20 0.00 -1.20 0.23 0.00 0.00 176.35 175.23 2a81 n SER 71 N 4.82 0.69 -4.48 2.29 7.64 -1.26 -4.94 113.62 118.38 2a81 n SER 71 Ca -0.14 0.20 -0.42 0.00 1.01 0.00 0.00 58.87 59.51 2a81 n SER 71 Cb 0.47 -0.13 0.01 0.00 -1.01 0.00 0.00 64.21 63.54 2a81 n SER 71 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2a81 n ARG 72 N -3.37 0.70 -0.07 1.43 3.00 -1.26 -4.87 116.66 112.23 2a81 n ARG 72 Ca 0.00 0.26 -0.14 0.00 -0.01 0.00 0.00 57.85 57.95 2a81 n ARG 72 Cb 0.00 -1.59 -0.06 0.00 0.00 0.00 0.00 32.46 30.81 2a81 n ARG 72 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.63 178.40 2a81 h SER 73 N 0.97 0.74 -0.75 0.55 0.02 -1.98 -2.70 113.55 110.42 2a81 h SER 73 Ca -0.40 -0.54 0.17 0.00 -0.84 0.00 0.00 61.79 60.18 2a81 h SER 73 Cb 1.39 -0.21 -0.13 0.00 0.14 0.00 0.00 62.40 63.59 2a81 h SER 73 CO 0.53 1.14 0.04 1.05 -1.14 0.00 0.00 176.83 178.45 2a81 h GLU 74 N 0.37 0.13 -0.36 3.45 9.09 -1.99 0.69 114.58 125.96 2a81 h GLU 74 Ca 0.01 -0.01 -0.13 0.00 0.05 0.00 0.00 59.36 59.28 2a81 h GLU 74 Cb 1.01 -0.03 -0.01 0.00 -1.65 0.00 0.00 28.75 28.07 2a81 h GLU 74 CO 0.09 0.08 -0.32 -0.44 0.05 0.00 0.00 179.01 178.48 2a81 h ASP 75 N 0.13 0.82 0.05 3.06 3.32 -1.90 -2.62 116.42 119.28 2a81 h ASP 75 Ca 0.41 -0.34 -0.12 0.00 0.02 0.00 0.00 57.03 57.00 2a81 h ASP 75 Cb 0.73 -0.23 0.01 0.00 0.22 0.00 0.00 39.33 40.06 2a81 h ASP 75 CO -0.63 1.07 -0.51 0.40 -1.72 0.00 0.00 179.24 177.85 2a81 h ILE 76 N 0.66 1.54 -0.46 0.35 2.04 -1.10 -2.80 117.51 117.74 2a81 h ILE 76 Ca 0.07 -2.25 0.09 0.00 1.00 0.00 0.00 64.86 63.78 2a81 h ILE 76 Cb 0.86 2.96 -0.10 0.00 -0.74 0.00 0.00 36.82 39.80 2a81 h ILE 76 CO 0.07 0.63 -0.28 -0.33 0.00 0.00 0.00 178.15 178.24 2a81 h GLU 77 N -0.42 -0.17 0.00 2.37 5.08 -0.91 -1.94 114.58 118.59 2a81 h GLU 77 Ca -0.08 0.01 -0.09 0.00 -1.00 0.00 0.00 59.36 58.20 2a81 h GLU 77 Cb 1.31 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.59 2a81 h GLU 77 CO 0.10 -0.12 -0.43 1.05 -1.00 0.00 0.00 179.01 178.61 2a81 h GLU 78 N -0.18 0.00 -0.58 2.33 -0.00 -1.54 -2.74 114.58 111.87 2a81 h GLU 78 Ca 0.21 0.00 -0.01 0.00 -0.00 0.00 0.00 59.36 59.55 2a81 h GLU 78 Cb 0.51 0.00 -0.03 0.00 -0.00 0.00 0.00 28.75 29.23 2a81 h GLU 78 CO -0.56 0.43 0.31 2.35 -0.00 0.00 0.00 179.01 181.54 2a81 h TRP 79 N 0.00 0.80 -0.66 2.06 7.01 -1.08 -2.02 115.95 122.06 2a81 h TRP 79 Ca -0.00 -0.02 -0.01 0.00 2.11 0.00 0.00 58.89 60.96 2a81 h TRP 79 Cb 0.81 -0.25 -0.03 0.00 -2.10 0.00 0.00 29.16 27.59 2a81 h TRP 79 CO 0.00 0.58 0.35 0.82 -2.79 0.00 0.00 178.44 177.40 2a81 h ILE 80 N 0.78 1.21 -0.48 2.65 1.08 -1.14 -1.64 117.51 119.97 2a81 h ILE 80 Ca 0.20 -0.54 0.06 0.00 -0.39 0.00 0.00 64.86 64.19 2a81 h ILE 80 Cb 0.05 0.37 -0.05 0.00 -3.07 0.00 0.00 36.82 34.12 2a81 h ILE 80 CO -0.03 0.23 0.18 0.44 -0.69 0.00 0.00 178.15 178.28 2a81 h ASP 81 N 0.90 0.20 -0.09 1.72 3.32 -1.35 -1.82 116.42 119.29 2a81 h ASP 81 Ca 0.23 0.05 0.04 0.00 0.02 0.00 0.00 57.03 57.37 2a81 h ASP 81 Cb 0.06 0.03 -0.05 0.00 0.22 0.00 0.00 39.33 39.59 2a81 h ASP 81 CO -0.04 0.14 -0.18 0.03 -1.72 0.00 0.00 179.24 177.48 2a81 h ARG 82 N 0.36 -0.23 -0.20 3.56 3.08 -0.82 -0.93 114.38 119.20 2a81 h ARG 82 Ca 0.23 0.02 0.05 0.00 0.07 0.00 0.00 59.98 60.35 2a81 h ARG 82 Cb 0.23 0.05 -0.05 0.00 0.08 0.00 0.00 29.97 30.28 2a81 h ARG 82 CO -0.22 -0.16 -0.15 0.28 -1.07 0.00 0.00 179.97 178.65 2a81 h VAL 83 N -0.24 0.58 -0.16 2.04 2.07 -0.91 -1.80 116.25 117.82 2a81 h VAL 83 Ca 0.09 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.60 2a81 h VAL 83 Cb 0.37 0.58 -0.01 0.00 -1.52 0.00 0.00 31.29 30.71 2a81 h VAL 83 CO -0.24 0.00 0.07 0.40 0.02 0.00 0.00 177.57 177.83 2a81 h ILE 84 N -0.15 1.14 -0.92 4.57 1.08 -1.12 -2.59 117.51 119.51 2a81 h ILE 84 Ca 0.12 -0.40 0.24 0.00 -0.39 0.00 0.00 64.86 64.43 2a81 h ILE 84 Cb 0.32 1.10 -0.13 0.00 -3.07 0.00 0.00 36.82 35.04 2a81 h ILE 84 CO -0.29 0.13 0.41 0.44 -0.69 0.00 0.00 178.15 178.15 2a81 h ASP 85 N 0.13 0.33 0.12 1.72 3.32 -0.83 0.48 116.42 121.69 2a81 h ASP 85 Ca 0.06 0.17 -0.01 0.00 0.02 0.00 0.00 57.03 57.27 2a81 h ASP 85 Cb 0.14 0.15 0.00 0.00 0.22 0.00 0.00 39.33 39.84 2a81 h ASP 85 CO -0.01 -0.05 -0.06 0.25 -1.72 0.00 0.00 179.24 177.65 2a81 h LEU 86 N 0.36 -0.14 -0.73 1.55 6.46 -0.97 0.17 115.31 122.00 2a81 h LEU 86 Ca 0.60 -0.00 -0.04 0.00 -0.12 0.00 0.00 57.88 58.31 2a81 h LEU 86 Cb 1.20 0.04 -0.03 0.00 -0.73 0.00 0.00 40.66 41.14 2a81 h LEU 86 CO -0.57 -0.09 0.29 1.88 -0.62 0.00 0.00 178.44 179.33 2a81 h TYR 87 N -0.18 1.12 -0.58 1.25 0.05 -0.46 -1.93 116.97 116.23 2a81 h TYR 87 Ca -0.02 -0.09 -0.01 0.00 0.05 0.00 0.00 58.73 58.66 2a81 h TYR 87 Cb 0.14 -0.33 -0.03 0.00 1.01 0.00 0.00 36.73 37.52 2a81 h TYR 87 CO -0.07 0.86 0.32 1.96 -1.05 0.00 0.00 178.16 180.18 2a81 h GLN 88 N 1.05 0.81 -1.02 4.88 1.08 -0.07 -2.37 115.11 119.48 2a81 h GLN 88 Ca 0.24 -0.09 0.25 0.00 -1.45 0.00 0.00 58.65 57.59 2a81 h GLN 88 Cb 0.22 -0.16 -0.11 0.00 -0.05 0.00 0.00 27.48 27.39 2a81 h GLN 88 CO -0.02 0.62 0.63 0.00 -0.95 0.00 0.00 178.83 179.11 2a81 h ALA 89 N 1.15 1.98 -0.02 3.87 0.00 0.13 0.63 119.26 126.99 2a81 h ALA 89 Ca 0.20 0.09 -0.04 0.00 0.00 0.00 0.00 54.91 55.17 2a81 h ALA 89 Cb 0.05 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.84 2a81 h ALA 89 CO -0.03 -0.40 -0.13 0.28 0.00 0.00 0.00 179.25 178.96 2a81 h VAL 90 N 0.52 1.52 0.00 0.00 2.07 -1.23 -3.28 116.25 115.85 2a81 h VAL 90 Ca 0.61 -1.71 -0.00 0.00 0.82 0.00 0.00 66.70 66.42 2a81 h VAL 90 Cb 1.31 2.59 -0.00 0.00 -1.52 0.00 0.00 31.29 33.66 2a81 h VAL 90 CO -0.38 0.46 -0.01 -0.07 0.02 0.00 0.00 177.57 177.59 2a81 h LEU 91 N -0.51 0.00 -1.31 2.57 3.38 -0.52 -1.59 115.31 117.33 2a81 h LEU 91 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2a81 h LEU 91 Cb 0.82 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.57 2a81 h LEU 91 CO 0.03 0.01 0.00 0.59 0.09 0.00 0.00 178.44 179.15 2a81 n ASN 92 N -3.97 1.97 -4.63 -0.43 3.02 0.02 -4.80 115.26 106.45 2a81 n ASN 92 Ca -0.03 -1.74 -0.43 0.00 -0.03 0.00 0.00 54.58 52.35 2a81 n ASN 92 Cb 0.09 -0.11 -0.02 0.00 -0.61 0.00 0.00 39.78 39.13 2a81 n ASN 92 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2a81 s VAL 93 N -1.79 4.07 -2.00 2.41 1.01 -0.60 -4.90 120.40 118.62 2a81 s VAL 93 Ca 0.34 1.21 0.16 0.00 0.00 0.00 0.00 61.98 63.68 2a81 s VAL 93 Cb 0.19 -4.11 0.44 0.00 0.00 0.00 0.00 36.38 32.90 2a81 s VAL 93 CO 0.28 -0.47 1.49 -0.46 0.00 0.00 0.00 175.10 175.94 2a81 n ASN 94 N 7.80 0.00 -4.75 3.32 0.23 -1.26 -4.77 115.26 115.83 2a81 n ASN 94 Ca 0.15 -1.21 -0.24 0.00 -0.53 0.00 0.00 54.58 52.75 2a81 n ASN 94 Cb 0.47 0.00 -0.07 0.00 -2.08 0.00 0.00 39.78 38.09 2a81 n ASN 94 CO 0.00 0.00 0.00 -0.54 -0.93 0.00 0.00 177.26 175.79 2a81 s LYS 95 N -2.00 2.25 0.50 -3.83 1.02 -1.26 -4.48 119.74 111.94 2a81 s LYS 95 Ca 0.23 -1.81 -0.24 0.00 0.02 0.00 0.00 55.97 54.18 2a81 s LYS 95 Cb 0.11 -2.02 -0.07 0.00 -0.52 0.00 0.00 37.83 35.33 2a81 s LYS 95 CO 0.18 -0.11 1.40 -2.14 -0.92 0.00 0.00 175.35 173.76 2a81 s PRO 96 N -3.91 3.41 -0.09 -1.68 0.02 -1.26 -4.87 135.00 126.62 2a81 s PRO 96 Ca 0.41 2.35 -0.01 0.00 0.02 0.00 0.00 61.00 63.77 2a81 s PRO 96 Cb 0.03 -2.46 0.03 0.00 0.02 0.00 0.00 34.50 32.12 2a81 s PRO 96 CO 0.23 -1.01 -0.03 0.95 -0.33 0.00 0.00 177.00 176.80 2a81 s THR 97 N -1.24 0.65 -0.08 0.99 -4.23 -1.26 -1.14 115.64 109.33 2a81 s THR 97 Ca 0.66 -0.05 0.00 0.00 -1.18 0.00 0.00 61.69 61.12 2a81 s THR 97 Cb -0.42 -0.75 -0.03 0.00 1.34 0.00 0.00 72.50 72.63 2a81 s THR 97 CO 0.53 0.31 -0.06 -0.63 -0.54 0.00 0.00 174.62 174.22 2a81 s ILE 98 N 1.86 3.80 -0.24 2.99 -1.09 0.03 -1.34 121.20 127.21 2a81 s ILE 98 Ca 0.05 -0.44 -0.04 0.00 -2.23 0.00 0.00 60.65 57.99 2a81 s ILE 98 Cb -0.12 -2.57 0.00 0.00 -1.58 0.00 0.00 42.46 38.19 2a81 s ILE 98 CO -0.07 0.59 -0.02 0.00 -1.23 0.00 0.00 174.94 174.21 2a81 s ALA 99 N -0.73 2.84 -0.53 9.38 0.00 -0.45 -1.52 121.76 130.75 2a81 s ALA 99 Ca 0.11 -1.27 -0.18 0.00 0.00 0.00 0.00 51.96 50.62 2a81 s ALA 99 Cb -0.11 -1.78 0.09 0.00 0.00 0.00 0.00 23.12 21.31 2a81 s ALA 99 CO 0.02 -0.58 0.58 0.00 0.00 0.00 0.00 175.76 175.77 2a81 s ALA 100 N 1.46 3.48 -0.31 0.00 0.00 -0.34 -1.92 121.76 124.13 2a81 s ALA 100 Ca 0.04 -2.11 -0.11 0.00 0.00 0.00 0.00 51.96 49.78 2a81 s ALA 100 Cb -0.15 -3.33 -0.02 0.00 0.00 0.00 0.00 23.12 19.62 2a81 s ALA 100 CO -0.02 -2.05 0.19 0.08 0.00 0.00 0.00 175.76 173.95 2a81 s VAL 101 N 2.25 4.97 0.31 0.00 1.01 0.34 -3.90 120.40 125.39 2a81 s VAL 101 Ca 0.09 -0.23 0.06 0.00 0.00 0.00 0.00 61.98 61.91 2a81 s VAL 101 Cb -0.24 -3.50 -0.06 0.00 0.00 0.00 0.00 36.38 32.58 2a81 s VAL 101 CO 0.07 0.08 -0.02 -0.62 0.00 0.00 0.00 175.10 174.62 2a81 s ASP 102 N 1.68 2.86 1.55 3.32 -1.08 -1.26 -0.80 116.67 122.95 2a81 s ASP 102 Ca 0.06 -1.27 0.00 0.00 -0.52 0.00 0.00 52.55 50.82 2a81 s ASP 102 Cb -0.17 -0.19 0.00 0.00 -1.46 0.00 0.00 42.92 41.10 2a81 s ASP 102 CO 0.09 -0.43 0.00 0.61 0.52 0.00 0.00 175.17 175.96 2a81 n GLY 103 N -0.68 2.50 3.54 2.66 0.00 -1.26 -1.07 105.19 110.88 2a81 n GLY 103 Ca -0.04 -0.32 -0.34 0.00 0.00 0.00 0.00 46.02 45.31 2a81 n GLY 103 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2a81 s TYR 104 N 0.00 2.94 -0.35 1.61 2.02 -1.26 -0.73 117.35 121.57 2a81 s TYR 104 Ca 0.00 -0.13 0.03 0.00 -0.37 0.00 0.00 57.07 56.59 2a81 s TYR 104 Cb 0.00 -1.79 0.10 0.00 -0.40 0.00 0.00 41.96 39.88 2a81 s TYR 104 CO 0.00 0.18 0.08 0.00 -1.57 0.00 0.00 175.55 174.24 2a81 s ALA 105 N -0.39 2.95 -0.02 3.71 0.00 -0.10 -2.37 121.76 125.53 2a81 s ALA 105 Ca 0.06 -2.52 0.05 0.00 0.00 0.00 0.00 51.96 49.54 2a81 s ALA 105 Cb -0.12 -2.05 -0.03 0.00 0.00 0.00 0.00 23.12 20.92 2a81 s ALA 105 CO 0.02 -1.70 -0.15 0.42 0.00 0.00 0.00 175.76 174.35 2a81 s ILE 106 N 0.95 3.02 0.00 0.00 1.01 -0.91 -1.21 121.20 124.06 2a81 s ILE 106 Ca 0.10 -0.85 0.00 0.00 0.00 0.00 0.00 60.65 59.90 2a81 s ILE 106 Cb -0.20 -2.21 0.00 0.00 0.01 0.00 0.00 42.46 40.06 2a81 s ILE 106 CO -0.07 0.51 0.00 0.61 0.00 0.00 0.00 174.94 175.99 2a81 n GLY 107 N 2.06 1.02 0.30 6.18 0.00 0.68 0.94 105.19 116.36 2a81 n GLY 107 Ca -0.17 0.70 0.05 0.00 0.00 0.00 0.00 46.02 46.61 2a81 n GLY 107 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 2a81 h MET 108 N 0.00 0.37 -0.27 1.61 1.85 -1.90 -1.37 114.93 115.23 2a81 h MET 108 Ca 0.00 -0.02 -0.19 0.00 -0.61 0.00 0.00 59.70 58.88 2a81 h MET 108 Cb 0.00 -0.08 0.00 0.00 0.43 0.00 0.00 31.60 31.95 2a81 h MET 108 CO 0.00 0.25 -0.57 0.78 -0.40 0.00 0.00 176.91 176.97 2a81 h GLY 109 N 0.39 0.94 0.63 1.39 0.00 0.40 -0.16 103.07 106.65 2a81 h GLY 109 Ca 0.11 -1.12 0.03 0.00 0.00 0.00 0.00 47.33 46.35 2a81 h GLY 109 CO -0.02 1.00 -0.10 -2.75 0.00 0.00 0.00 176.54 174.66 2a81 h PHE 110 N 0.65 -0.25 -0.13 5.60 3.04 -1.42 -1.77 116.94 122.65 2a81 h PHE 110 Ca 0.01 0.01 -0.02 0.00 3.98 0.00 0.00 57.97 61.95 2a81 h PHE 110 Cb 1.18 0.13 -0.01 0.00 2.56 0.00 0.00 35.95 39.81 2a81 h PHE 110 CO 0.07 -0.16 0.01 1.96 -2.02 0.00 0.00 178.31 178.18 2a81 h GLN 111 N -0.13 0.23 -0.71 1.11 4.20 -1.14 -2.35 115.11 116.31 2a81 h GLN 111 Ca 0.07 -0.07 0.14 0.00 0.06 0.00 0.00 58.65 58.86 2a81 h GLN 111 Cb 0.23 -0.02 -0.10 0.00 0.30 0.00 0.00 27.48 27.89 2a81 h GLN 111 CO -0.17 0.43 0.20 0.35 -0.67 0.00 0.00 178.83 178.98 2a81 h PHE 112 N -0.01 0.33 -0.73 2.96 3.57 -1.00 -1.05 116.94 121.01 2a81 h PHE 112 Ca 0.04 0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.57 2a81 h PHE 112 Cb 0.32 -0.04 -0.04 0.00 2.79 0.00 0.00 35.95 38.99 2a81 h PHE 112 CO 0.02 -0.03 0.42 0.00 -2.23 0.00 0.00 178.31 176.50 2a81 h ALA 113 N 1.56 1.36 0.00 2.41 0.00 -0.89 -2.22 119.26 121.48 2a81 h ALA 113 Ca 0.39 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.20 2a81 h ALA 113 Cb 0.62 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.12 2a81 h ALA 113 CO -0.45 0.54 0.00 1.28 0.00 0.00 0.00 179.25 180.61 2a81 n LEU 114 N -4.38 0.22 0.12 0.00 4.77 -0.40 -2.15 117.00 115.18 2a81 n LEU 114 Ca 0.08 0.58 0.13 0.00 -0.03 0.00 0.00 56.01 56.76 2a81 n LEU 114 Cb 0.08 -0.57 0.41 0.00 -2.33 0.00 0.00 43.42 41.01 2a81 n LEU 114 CO 0.37 -0.51 0.88 0.24 -1.33 0.00 0.00 177.39 177.05 2a81 h MET 115 N 0.00 0.00 -7.20 3.23 2.86 -1.36 -3.47 114.93 108.99 2a81 h MET 115 Ca 0.00 0.00 -0.50 0.00 -2.06 0.00 0.00 59.70 57.14 2a81 h MET 115 Cb 0.15 0.00 0.05 0.00 0.06 0.00 0.00 31.60 31.86 2a81 h MET 115 CO 0.00 0.00 0.31 -0.06 1.06 0.00 0.00 176.91 178.22 2a81 s PHE 116 N -3.14 3.60 0.19 -0.22 0.40 -0.92 -4.52 117.98 113.37 2a81 s PHE 116 Ca 0.10 1.14 -0.03 0.00 -0.60 0.00 0.00 56.93 57.54 2a81 s PHE 116 Cb 0.12 -2.58 0.10 0.00 0.51 0.00 0.00 43.02 41.17 2a81 s PHE 116 CO 0.57 -0.53 1.49 -0.44 0.70 0.00 0.00 175.22 177.02 2a81 h ASP 117 N -0.04 0.59 -5.14 1.36 3.32 -1.54 -3.46 116.42 111.51 2a81 h ASP 117 Ca -0.45 -0.33 -0.14 0.00 0.02 0.00 0.00 57.03 56.13 2a81 h ASP 117 Cb 1.19 -0.17 -0.17 0.00 0.22 0.00 0.00 39.33 40.40 2a81 h ASP 117 CO 0.62 1.05 -0.68 -1.10 -1.72 0.00 0.00 179.24 177.40 2a81 s GLN 118 N -3.92 0.50 -0.04 3.56 -1.52 -0.94 -5.03 119.66 112.26 2a81 s GLN 118 Ca -0.07 -0.99 -0.01 0.00 -1.95 0.00 0.00 55.36 52.34 2a81 s GLN 118 Cb 0.11 0.17 0.03 0.00 -0.22 0.00 0.00 33.01 33.10 2a81 s GLN 118 CO 0.84 -0.09 0.03 1.03 -0.25 0.00 0.00 175.29 176.86 2a81 s ARG 119 N -3.00 0.15 -0.02 2.91 0.52 -1.26 -1.33 118.95 116.91 2a81 s ARG 119 Ca -0.02 0.25 0.04 0.00 -0.52 0.00 0.00 55.73 55.49 2a81 s ARG 119 Cb 0.01 -0.59 -0.03 0.00 0.52 0.00 0.00 34.95 34.87 2a81 s ARG 119 CO -0.07 -0.28 -0.14 -0.51 0.02 0.00 0.00 175.30 174.33 2a81 s LEU 120 N 1.83 2.79 0.22 2.53 1.43 -0.81 0.47 118.68 127.14 2a81 s LEU 120 Ca 0.01 -0.25 0.08 0.00 -1.03 0.00 0.00 54.13 52.95 2a81 s LEU 120 Cb -0.12 -1.60 -0.05 0.00 0.03 0.00 0.00 46.19 44.45 2a81 s LEU 120 CO -0.03 0.31 -0.15 0.00 0.23 0.00 0.00 176.35 176.71 2a81 s MET 121 N -1.05 1.39 0.53 1.70 0.23 -0.50 -0.50 119.30 121.10 2a81 s MET 121 Ca 0.13 -1.63 -0.19 0.00 -1.03 0.00 0.00 55.69 52.98 2a81 s MET 121 Cb -0.11 -1.23 -0.07 0.00 -1.53 0.00 0.00 34.83 31.90 2a81 s MET 121 CO 0.03 0.20 1.05 0.00 -2.03 0.00 0.00 175.02 174.28 2a81 s ALA 122 N -2.90 2.82 0.52 3.16 0.00 0.02 -1.71 121.76 123.67 2a81 s ALA 122 Ca 0.24 0.55 0.19 0.00 0.00 0.00 0.00 51.96 52.94 2a81 s ALA 122 Cb -0.01 -3.25 1.31 0.00 0.00 0.00 0.00 23.12 21.17 2a81 s ALA 122 CO 0.08 -0.52 2.10 0.66 0.00 0.00 0.00 175.76 178.09 2a81 h SER 123 N 1.14 0.00 -0.21 0.00 4.64 -0.63 -2.37 113.55 116.12 2a81 h SER 123 Ca -0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 2a81 h SER 123 Cb 1.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 2a81 h SER 123 CO 0.58 0.00 0.00 0.35 -0.87 0.00 0.00 176.83 176.89 2a81 n THR 124 N -4.49 0.27 -2.42 2.95 -2.24 -1.26 -4.33 114.28 102.76 2a81 n THR 124 Ca 0.01 -0.45 -0.24 0.00 -2.27 0.00 0.00 64.05 61.10 2a81 n THR 124 Cb 0.25 0.57 0.06 0.00 -2.10 0.00 0.00 70.33 69.11 2a81 n THR 124 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2a81 s ALA 125 N -1.73 3.51 -0.04 6.98 0.00 -0.89 -4.73 121.76 124.86 2a81 s ALA 125 Ca 0.34 -1.19 -0.03 0.00 0.00 0.00 0.00 51.96 51.08 2a81 s ALA 125 Cb 0.19 -2.32 0.02 0.00 0.00 0.00 0.00 23.12 21.01 2a81 s ALA 125 CO 0.28 -1.11 0.09 -0.80 0.00 0.00 0.00 175.76 174.22 2a81 s ASN 126 N -4.51 -0.08 -0.07 0.00 -0.87 0.09 -3.86 114.94 105.63 2a81 s ASN 126 Ca 0.60 0.19 -0.04 0.00 -1.57 0.00 0.00 52.86 52.04 2a81 s ASN 126 Cb -0.10 0.16 -0.04 0.00 -0.02 0.00 0.00 41.25 41.25 2a81 s ASN 126 CO 0.42 -0.06 0.13 -0.36 -2.57 0.00 0.00 177.10 174.66 2a81 s PHE 127 N 0.34 3.49 -0.08 2.20 0.40 -0.48 -0.93 117.98 122.91 2a81 s PHE 127 Ca -0.02 0.40 -0.10 0.00 -0.60 0.00 0.00 56.93 56.60 2a81 s PHE 127 Cb -0.04 -1.86 0.02 0.00 0.51 0.00 0.00 43.02 41.65 2a81 s PHE 127 CO -0.01 0.66 0.27 0.08 0.70 0.00 0.00 175.22 176.92 2a81 s VAL 128 N -1.11 0.02 -0.51 -0.44 1.01 -0.35 0.05 120.40 119.06 2a81 s VAL 128 Ca 0.19 -0.12 0.07 0.00 0.00 0.00 0.00 61.98 62.11 2a81 s VAL 128 Cb -0.12 -0.43 0.23 0.00 0.00 0.00 0.00 36.38 36.06 2a81 s VAL 128 CO 0.09 -0.07 0.58 0.80 0.00 0.00 0.00 175.10 176.50 2a81 n MET 129 N 2.57 1.38 -0.96 2.72 1.56 -1.26 -0.23 117.12 122.90 2a81 n MET 129 Ca -0.15 -3.84 -0.05 0.00 -0.27 0.00 0.00 57.70 53.39 2a81 n MET 129 Cb 0.58 -1.73 0.29 0.00 2.15 0.00 0.00 33.22 34.51 2a81 n MET 129 CO 0.00 0.00 0.00 -0.35 -0.73 0.00 0.00 175.97 174.89 2a81 n PRO 130 N 1.43 3.63 0.15 2.12 -0.04 -1.26 -4.58 135.00 136.45 2a81 n PRO 130 Ca 0.25 -2.88 -0.17 0.00 -0.04 0.00 0.00 63.50 60.66 2a81 n PRO 130 Cb 0.47 -2.17 -0.10 0.00 -0.04 0.00 0.00 33.50 31.66 2a81 n PRO 130 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 2a81 h GLU 131 N 2.58 -0.77 -0.59 0.54 3.07 -1.89 -2.76 114.58 114.76 2a81 h GLU 131 Ca 0.24 0.05 -0.02 0.00 -0.50 0.00 0.00 59.36 59.13 2a81 h GLU 131 Cb 2.24 0.18 -0.03 0.00 -0.84 0.00 0.00 28.75 30.30 2a81 h GLU 131 CO 0.70 -0.51 0.28 -0.07 -1.40 0.00 0.00 179.01 178.00 2a81 h LEU 132 N -0.80 0.75 -0.83 1.33 3.38 -1.83 0.15 115.31 117.45 2a81 h LEU 132 Ca -0.01 -0.07 0.16 0.00 0.09 0.00 0.00 57.88 58.04 2a81 h LEU 132 Cb 0.78 -0.19 -0.10 0.00 0.09 0.00 0.00 40.66 41.24 2a81 h LEU 132 CO -0.25 0.64 0.38 0.50 0.09 0.00 0.00 178.44 179.81 2a81 h LYS 133 N 0.84 0.50 0.00 1.13 3.64 -1.85 -2.61 116.57 118.21 2a81 h LYS 133 Ca 0.21 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.56 2a81 h LYS 133 Cb 0.09 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 31.80 2a81 h LYS 133 CO -0.03 0.33 -0.53 0.72 -2.27 0.00 0.00 179.45 177.67 2a81 n HIS 134 N -4.96 0.00 -0.34 1.91 8.25 0.33 -4.95 115.22 115.48 2a81 n HIS 134 Ca 0.17 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.63 2a81 n HIS 134 Cb 0.48 -0.24 0.00 0.00 1.12 0.00 0.00 29.99 31.35 2a81 n HIS 134 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2a81 n GLY 135 N 1.50 0.82 3.86 -1.41 0.00 -0.19 -5.08 105.19 104.70 2a81 n GLY 135 Ca 0.05 -0.08 -0.34 0.00 0.00 0.00 0.00 46.02 45.65 2a81 n GLY 135 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2a81 s ILE 136 N -2.00 4.99 0.68 -0.61 -1.09 -0.56 -4.90 121.20 117.70 2a81 s ILE 136 Ca 0.00 0.56 -0.15 0.00 -2.23 0.00 0.00 60.65 58.83 2a81 s ILE 136 Cb 0.00 -3.67 0.01 0.00 -1.58 0.00 0.00 42.46 37.22 2a81 s ILE 136 CO 0.00 0.19 1.12 -0.83 -1.23 0.00 0.00 174.94 174.19 2a81 s GLY 137 N -1.91 2.14 -0.13 6.18 0.00 -1.26 -3.38 107.32 108.95 2a81 s GLY 137 Ca 0.38 0.57 0.20 0.00 0.00 0.00 0.00 44.72 45.86 2a81 s GLY 137 CO 0.19 0.92 1.17 0.00 0.00 0.00 0.00 173.10 175.39 2a81 h SER 139 N 1.41 0.58 -0.21 0.00 4.64 -1.94 -0.50 113.55 117.52 2a81 h SER 139 Ca -0.28 -0.36 -0.05 0.00 -0.47 0.00 0.00 61.79 60.64 2a81 h SER 139 Cb 1.54 -0.17 -0.01 0.00 -0.31 0.00 0.00 62.40 63.45 2a81 h SER 139 CO 0.03 1.09 -0.06 0.58 -0.87 0.00 0.00 176.83 177.60 2a81 h VAL 140 N 0.36 1.29 0.10 0.95 2.07 -1.93 -0.31 116.25 118.78 2a81 h VAL 140 Ca -0.02 -1.06 0.00 0.00 0.82 0.00 0.00 66.70 66.44 2a81 h VAL 140 Cb 1.24 1.54 -0.01 0.00 -1.52 0.00 0.00 31.29 32.54 2a81 h VAL 140 CO 0.12 0.32 -0.10 1.23 0.02 0.00 0.00 177.57 179.16 2a81 h GLY 141 N 0.14 -0.21 0.19 2.17 0.00 -1.91 -1.29 103.07 102.17 2a81 h GLY 141 Ca 0.05 0.12 0.10 0.00 0.00 0.00 0.00 47.33 47.60 2a81 h GLY 141 CO 0.02 -0.11 0.05 0.00 0.00 0.00 0.00 176.54 176.51 2a81 h ALA 142 N 0.66 0.56 0.02 3.60 0.00 -1.03 -0.10 119.26 122.96 2a81 h ALA 142 Ca 0.01 0.14 0.02 0.00 0.00 0.00 0.00 54.91 55.08 2a81 h ALA 142 Cb 0.22 0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.20 2a81 h ALA 142 CO -0.03 -0.35 -0.16 0.00 0.00 0.00 0.00 179.25 178.71 2a81 h ALA 143 N 1.45 -0.21 0.54 0.00 0.00 -0.61 0.16 119.26 120.60 2a81 h ALA 143 Ca 0.27 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 55.16 2a81 h ALA 143 Cb 0.41 0.28 0.01 0.00 0.00 0.00 0.00 17.79 18.48 2a81 h ALA 143 CO -0.41 -0.66 -0.26 0.82 0.00 0.00 0.00 179.25 178.74 2a81 h ILE 144 N -0.27 0.47 -0.48 0.00 2.04 -0.86 -2.29 117.51 116.11 2a81 h ILE 144 Ca 0.05 -0.01 -0.09 0.00 1.00 0.00 0.00 64.86 65.80 2a81 h ILE 144 Cb 0.33 0.47 -0.02 0.00 -0.74 0.00 0.00 36.82 36.86 2a81 h ILE 144 CO -0.14 0.00 -0.07 0.25 0.00 0.00 0.00 178.15 178.19 2a81 h LEU 145 N -0.74 0.85 -0.94 1.44 5.85 -0.90 -0.32 115.31 120.55 2a81 h LEU 145 Ca -0.07 -0.25 0.07 0.00 0.84 0.00 0.00 57.88 58.47 2a81 h LEU 145 Cb 0.56 -0.23 -0.07 0.00 0.37 0.00 0.00 40.66 41.30 2a81 h LEU 145 CO 0.12 0.95 0.59 1.23 -0.34 0.00 0.00 178.44 181.00 2a81 h GLY 146 N 0.98 1.44 1.02 3.75 0.00 -0.67 -0.17 103.07 109.42 2a81 h GLY 146 Ca 0.14 -0.43 -0.17 0.00 0.00 0.00 0.00 47.33 46.87 2a81 h GLY 146 CO 0.04 0.28 -0.57 -2.75 0.00 0.00 0.00 176.54 173.54 2a81 h PHE 147 N 1.06 0.90 0.04 5.60 3.04 -0.53 -0.87 116.94 126.17 2a81 h PHE 147 Ca 0.41 -0.37 -0.24 0.00 3.98 0.00 0.00 57.97 61.76 2a81 h PHE 147 Cb 0.21 -0.15 -0.02 0.00 2.56 0.00 0.00 35.95 38.55 2a81 h PHE 147 CO -0.02 1.17 -1.16 1.79 -2.02 0.00 0.00 178.31 178.07 2a81 h THR 148 N 0.38 1.55 0.00 4.41 1.35 -1.02 -3.40 112.91 116.17 2a81 h THR 148 Ca -0.02 -3.24 0.00 0.00 -0.55 0.00 0.00 66.41 62.60 2a81 h THR 148 Cb 1.19 2.83 0.00 0.00 -1.73 0.00 0.00 68.15 70.44 2a81 h THR 148 CO 0.12 0.90 0.00 1.41 -0.25 0.00 0.00 175.52 177.70 2a81 n HIS 149 N -3.37 0.00 0.00 4.73 8.25 -0.08 -5.09 115.22 119.66 2a81 n HIS 149 Ca -0.05 -0.05 0.00 0.00 -0.26 0.00 0.00 57.72 57.36 2a81 n HIS 149 Cb 0.98 -0.01 0.00 0.00 1.12 0.00 0.00 29.99 32.08 2a81 n HIS 149 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2a81 n GLY 150 N -0.05 2.16 0.43 -1.41 0.00 -0.33 -4.53 105.19 101.45 2a81 n GLY 150 Ca 0.00 -1.88 -0.16 0.00 0.00 0.00 0.00 46.02 43.98 2a81 n GLY 150 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 2a81 h PHE 151 N 0.00 -0.98 -0.10 1.61 3.57 -1.88 -2.69 116.94 116.47 2a81 h PHE 151 Ca 0.00 -0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.43 2a81 h PHE 151 Cb 0.00 0.32 -0.01 0.00 2.79 0.00 0.00 35.95 39.05 2a81 h PHE 151 CO 0.00 -0.61 -0.17 0.66 -2.23 0.00 0.00 178.31 175.96 2a81 h SER 152 N -1.27 0.15 -0.17 0.41 4.64 -1.95 -0.48 113.55 114.87 2a81 h SER 152 Ca -0.11 -0.03 -0.02 0.00 -0.47 0.00 0.00 61.79 61.16 2a81 h SER 152 Cb 0.81 -0.04 -0.01 0.00 -0.31 0.00 0.00 62.40 62.86 2a81 h SER 152 CO 0.18 0.34 0.02 0.74 -0.87 0.00 0.00 176.83 177.24 2a81 h THR 153 N 0.15 1.23 -0.22 2.95 2.02 -1.80 -2.37 112.91 114.87 2a81 h THR 153 Ca 0.03 -0.75 0.03 0.00 0.77 0.00 0.00 66.41 66.49 2a81 h THR 153 Cb 0.40 1.40 -0.03 0.00 -1.74 0.00 0.00 68.15 68.18 2a81 h THR 153 CO 0.03 0.23 0.05 -0.03 0.37 0.00 0.00 175.52 176.16 2a81 h MET 154 N 0.07 0.14 -0.49 6.66 -1.53 -1.01 -1.88 114.93 116.90 2a81 h MET 154 Ca 0.05 -0.01 0.10 0.00 -3.44 0.00 0.00 59.70 56.40 2a81 h MET 154 Cb 0.32 -0.03 -0.10 0.00 -0.55 0.00 0.00 31.60 31.25 2a81 h MET 154 CO 0.00 0.09 -0.20 1.96 0.14 0.00 0.00 176.91 178.91 2a81 h GLN 155 N 0.14 -0.09 -0.01 0.39 4.20 -1.06 -0.94 115.11 117.75 2a81 h GLN 155 Ca 0.10 0.01 0.02 0.00 0.06 0.00 0.00 58.65 58.83 2a81 h GLN 155 Cb 0.09 0.02 -0.02 0.00 0.30 0.00 0.00 27.48 27.87 2a81 h GLN 155 CO -0.13 -0.06 -0.08 1.49 -0.67 0.00 0.00 178.83 179.38 2a81 h GLU 156 N -0.09 -0.14 0.72 1.46 4.81 -1.07 -1.86 114.58 118.42 2a81 h GLU 156 Ca 0.23 0.01 -0.04 0.00 -0.13 0.00 0.00 59.36 59.43 2a81 h GLU 156 Cb 0.45 0.03 0.01 0.00 0.63 0.00 0.00 28.75 29.87 2a81 h GLU 156 CO -0.55 -0.09 -0.35 0.82 -0.73 0.00 0.00 179.01 178.12 2a81 h ILE 157 N -0.14 0.22 -0.05 2.32 2.04 -0.68 -0.47 117.51 120.74 2a81 h ILE 157 Ca 0.04 -0.14 -0.07 0.00 1.00 0.00 0.00 64.86 65.69 2a81 h ILE 157 Cb 0.19 0.26 -0.01 0.00 -0.74 0.00 0.00 36.82 36.52 2a81 h ILE 157 CO -0.09 0.01 -0.27 0.16 0.00 0.00 0.00 178.15 177.96 2a81 h ILE 158 N -1.08 1.22 0.00 -0.67 3.07 -1.24 -1.56 117.51 117.25 2a81 h ILE 158 Ca -0.10 -1.05 -0.19 0.00 1.55 0.00 0.00 64.86 65.08 2a81 h ILE 158 Cb 0.77 1.49 -0.03 0.00 -0.27 0.00 0.00 36.82 38.78 2a81 h ILE 158 CO 0.16 0.31 -1.06 1.88 -1.05 0.00 0.00 178.15 178.39 2a81 h TYR 159 N 0.09 0.00 0.00 0.16 0.05 -1.32 -3.34 116.97 112.61 2a81 h TYR 159 Ca 0.01 0.00 -0.21 0.00 0.05 0.00 0.00 58.73 58.58 2a81 h TYR 159 Cb 0.54 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 38.24 2a81 h TYR 159 CO 0.00 0.77 -1.18 1.96 -1.05 0.00 0.00 178.16 178.66 2a81 h GLN 160 N 0.00 0.00 -6.40 4.88 4.20 -0.98 -3.49 115.11 113.31 2a81 h GLN 160 Ca -0.09 0.00 -0.48 0.00 0.06 0.00 0.00 58.65 58.15 2a81 h GLN 160 Cb 1.66 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.45 2a81 h GLN 160 CO 0.09 0.68 -0.91 0.00 -0.67 0.00 0.00 178.83 178.02 2a81 s GLN 162 N -6.37 2.93 -0.42 0.00 -0.21 -1.26 -4.85 119.66 109.49 2a81 s GLN 162 Ca 0.19 -1.12 -0.23 0.00 0.02 0.00 0.00 55.36 54.22 2a81 s GLN 162 Cb -0.07 -2.61 0.02 0.00 1.00 0.00 0.00 33.01 31.35 2a81 s GLN 162 CO 0.88 0.22 0.79 0.45 -2.12 0.00 0.00 175.29 175.50 2a81 s SER 163 N -3.98 6.46 -0.47 5.90 0.15 -1.26 -4.38 113.70 116.12 2a81 s SER 163 Ca 0.38 0.07 -0.21 0.00 0.70 0.00 0.00 55.95 56.89 2a81 s SER 163 Cb -0.07 -2.39 0.03 0.00 -1.71 0.00 0.00 66.02 61.88 2a81 s SER 163 CO 0.27 -0.85 0.70 -0.76 1.20 0.00 0.00 173.24 173.80 2a81 s LEU 164 N 3.23 4.52 1.17 3.45 1.43 0.11 -4.94 118.68 127.65 2a81 s LEU 164 Ca 0.31 -0.45 -0.19 0.00 -1.03 0.00 0.00 54.13 52.77 2a81 s LEU 164 Cb -0.12 -2.71 0.28 0.00 0.03 0.00 0.00 46.19 43.67 2a81 s LEU 164 CO 0.21 -0.88 1.15 1.51 0.23 0.00 0.00 176.35 178.57 2a81 s ASP 165 N 2.29 1.24 0.08 2.29 -4.77 -1.26 -1.39 116.67 115.14 2a81 s ASP 165 Ca 0.23 0.53 -0.26 0.00 -3.30 0.00 0.00 52.55 49.75 2a81 s ASP 165 Cb -0.15 -0.71 -0.16 0.00 -1.09 0.00 0.00 42.92 40.81 2a81 s ASP 165 CO 0.18 -3.92 1.67 0.00 0.70 0.00 0.00 175.17 173.80 2a81 h ALA 166 N -2.44 -0.27 -0.97 2.11 0.00 -1.75 -1.96 119.26 113.97 2a81 h ALA 166 Ca -0.44 -0.07 0.29 0.00 0.00 0.00 0.00 54.91 54.69 2a81 h ALA 166 Cb 1.28 0.10 -0.15 0.00 0.00 0.00 0.00 17.79 19.03 2a81 h ALA 166 CO 0.33 -0.63 0.49 -1.35 0.00 0.00 0.00 179.25 178.10 2a81 h PRO 167 N -0.30 0.31 -0.30 0.00 0.11 -1.94 0.11 132.00 129.99 2a81 h PRO 167 Ca -0.03 -0.02 -0.18 0.00 0.11 0.00 0.00 66.00 65.89 2a81 h PRO 167 Cb 0.23 -0.07 -0.00 0.00 0.11 0.00 0.00 31.00 31.27 2a81 h PRO 167 CO 0.04 0.21 -0.51 -0.09 -0.21 0.00 0.00 178.00 177.44 2a81 h ARG 168 N 0.32 0.86 -0.42 1.05 9.65 -1.84 -1.81 114.38 122.19 2a81 h ARG 168 Ca 0.68 -0.53 -0.10 0.00 -1.10 0.00 0.00 59.98 58.94 2a81 h ARG 168 Cb 1.50 0.05 -0.02 0.00 -1.39 0.00 0.00 29.97 30.11 2a81 h ARG 168 CO -0.61 1.16 -0.13 0.00 2.80 0.00 0.00 179.97 183.19 2a81 h VAL 170 N 0.69 1.17 -0.98 0.00 2.07 -0.94 0.22 116.25 118.49 2a81 h VAL 170 Ca 0.11 -0.53 0.10 0.00 0.82 0.00 0.00 66.70 67.20 2a81 h VAL 170 Cb 0.62 1.14 -0.07 0.00 -1.52 0.00 0.00 31.29 31.45 2a81 h VAL 170 CO 0.04 0.17 0.62 -0.78 0.02 0.00 0.00 177.57 177.65 2a81 h ASP 171 N 0.18 0.93 1.03 0.57 3.58 -1.05 -0.23 116.42 121.43 2a81 h ASP 171 Ca 0.07 0.03 0.00 0.00 0.42 0.00 0.00 57.03 57.55 2a81 h ASP 171 Cb 0.20 -0.16 0.00 0.00 1.72 0.00 0.00 39.33 41.09 2a81 h ASP 171 CO -0.00 0.53 0.00 -1.22 -2.88 0.00 0.00 179.24 175.67 2a81 n TYR 172 N -4.56 0.11 -3.58 0.28 4.01 -0.25 -4.94 117.16 108.23 2a81 n TYR 172 Ca 0.17 0.03 -0.23 0.00 -0.16 0.00 0.00 57.90 57.72 2a81 n TYR 172 Cb 0.30 -0.55 0.08 0.00 -0.31 0.00 0.00 39.34 38.86 2a81 n TYR 172 CO 0.00 0.00 0.00 -2.13 -0.46 0.00 0.00 176.86 174.27 2a81 n ARG 173 N -1.59 -7.48 0.19 -0.72 0.63 -0.10 -4.93 116.66 102.66 2a81 n ARG 173 Ca 0.07 0.82 0.12 0.00 -0.92 0.00 0.00 57.85 57.93 2a81 n ARG 173 Cb 0.34 -5.85 0.14 0.00 0.45 0.00 0.00 32.46 27.54 2a81 n ARG 173 CO 0.00 0.00 0.00 -0.07 -2.51 0.00 0.00 177.63 175.05 2a81 h LEU 174 N -2.47 0.00 -8.46 6.15 3.38 -0.89 -3.47 115.31 109.54 2a81 h LEU 174 Ca -0.58 -0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.15 2a81 h LEU 174 Cb 1.36 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 41.96 2a81 h LEU 174 CO 0.55 0.00 -0.70 0.68 0.09 0.00 0.00 178.44 179.06 2a81 s VAL 175 N -3.24 0.75 -0.59 1.22 -7.23 -1.25 -4.84 120.40 105.22 2a81 s VAL 175 Ca 0.05 -1.94 0.23 0.00 -1.81 0.00 0.00 61.98 58.51 2a81 s VAL 175 Cb 0.06 -1.69 -0.15 0.00 0.56 0.00 0.00 36.38 35.17 2a81 s VAL 175 CO 0.70 -0.85 0.96 0.59 -0.31 0.00 0.00 175.10 176.18 2a81 n ASN 176 N -0.04 0.59 -3.53 4.85 4.13 0.18 -4.86 115.26 116.59 2a81 n ASN 176 Ca -0.12 -0.27 -0.17 0.00 1.68 0.00 0.00 54.58 55.70 2a81 n ASN 176 Cb 0.61 0.94 -0.06 0.00 -1.54 0.00 0.00 39.78 39.73 2a81 n ASN 176 CO 0.00 0.00 0.00 -1.58 0.28 0.00 0.00 177.26 175.96 2a81 s GLN 177 N -3.21 0.99 -0.08 3.52 0.74 -1.18 -5.01 119.66 115.42 2a81 s GLN 177 Ca 0.03 0.22 0.01 0.00 0.05 0.00 0.00 55.36 55.68 2a81 s GLN 177 Cb 0.14 0.46 0.02 0.00 1.10 0.00 0.00 33.01 34.74 2a81 s GLN 177 CO 0.82 -0.31 -0.12 0.08 -0.55 0.00 0.00 175.29 175.21 2a81 s VAL 178 N -1.24 1.17 0.32 1.34 1.01 -1.26 -1.41 120.40 120.32 2a81 s VAL 178 Ca -0.09 -0.46 0.06 0.00 0.00 0.00 0.00 61.98 61.49 2a81 s VAL 178 Cb -0.00 -1.09 -0.03 0.00 0.00 0.00 0.00 36.38 35.25 2a81 s VAL 178 CO 0.08 0.37 0.24 0.68 0.00 0.00 0.00 175.10 176.47 2a81 s VAL 179 N 0.98 0.06 0.56 2.92 -7.23 -0.69 -4.88 120.40 112.12 2a81 s VAL 179 Ca -0.08 -2.00 -0.19 0.00 -1.81 0.00 0.00 61.98 57.89 2a81 s VAL 179 Cb -0.15 -2.49 -0.05 0.00 0.56 0.00 0.00 36.38 34.26 2a81 s VAL 179 CO -0.00 0.00 1.19 -1.61 -0.31 0.00 0.00 175.10 174.37 2a81 s GLU 180 N -3.59 3.16 0.20 4.82 0.41 -1.26 0.13 118.70 122.57 2a81 s GLU 180 Ca 0.39 1.78 -0.10 0.00 -0.41 0.00 0.00 54.97 56.63 2a81 s GLU 180 Cb 0.03 -2.01 0.26 0.00 -1.78 0.00 0.00 34.13 30.63 2a81 s GLU 180 CO 0.24 -1.04 1.73 0.77 -0.49 0.00 0.00 175.26 176.47 2a81 h SER 181 N 1.11 0.13 -0.71 -0.19 0.02 -1.94 -1.04 113.55 110.93 2a81 h SER 181 Ca -0.50 0.09 0.09 0.00 -0.84 0.00 0.00 61.79 60.62 2a81 h SER 181 Cb 1.28 0.09 -0.05 0.00 0.14 0.00 0.00 62.40 63.87 2a81 h SER 181 CO 0.56 0.09 0.47 0.77 -1.14 0.00 0.00 176.83 177.58 2a81 h SER 182 N 0.34 0.57 1.10 3.07 4.64 -2.04 -2.64 113.55 118.59 2a81 h SER 182 Ca 0.29 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.62 2a81 h SER 182 Cb 0.38 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 62.36 2a81 h SER 182 CO -0.33 0.35 -0.53 0.00 -0.87 0.00 0.00 176.83 175.46 2a81 h ALA 183 N 1.63 0.68 -0.05 5.18 0.00 -1.59 -3.42 119.26 121.68 2a81 h ALA 183 Ca 0.32 0.00 0.02 0.00 0.00 0.00 0.00 54.91 55.25 2a81 h ALA 183 Cb 0.41 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 2a81 h ALA 183 CO -0.11 0.00 -0.07 1.25 0.00 0.00 0.00 179.25 180.32 2a81 h LEU 184 N 0.00 -0.22 -0.09 0.00 5.85 -0.93 -2.03 115.31 117.87 2a81 h LEU 184 Ca 0.00 0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.76 2a81 h LEU 184 Cb 0.82 0.11 -0.00 0.00 0.37 0.00 0.00 40.66 41.95 2a81 h LEU 184 CO 0.00 -0.10 0.04 0.25 -0.34 0.00 0.00 178.44 178.28 2a81 h LEU 185 N -0.10 0.13 -0.62 2.25 5.85 -1.81 -1.35 115.31 119.66 2a81 h LEU 185 Ca 0.05 -0.17 0.08 0.00 0.84 0.00 0.00 57.88 58.68 2a81 h LEU 185 Cb 0.17 -0.03 -0.06 0.00 0.37 0.00 0.00 40.66 41.10 2a81 h LEU 185 CO -0.12 0.27 0.29 0.44 -0.34 0.00 0.00 178.44 178.98 2a81 h ASP 186 N -0.01 0.37 -0.66 1.25 5.19 -1.84 -0.54 116.42 120.18 2a81 h ASP 186 Ca 0.03 0.05 0.08 0.00 -0.62 0.00 0.00 57.03 56.58 2a81 h ASP 186 Cb 0.18 -0.01 -0.06 0.00 0.18 0.00 0.00 39.33 39.61 2a81 h ASP 186 CO -0.00 0.23 0.33 0.00 -3.12 0.00 0.00 179.24 176.68 2a81 h ALA 187 N 1.38 0.89 -0.28 3.45 0.00 -0.92 -1.18 119.26 122.60 2a81 h ALA 187 Ca 0.30 0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.22 2a81 h ALA 187 Cb 0.29 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 2a81 h ALA 187 CO -0.24 -0.05 0.04 0.00 0.00 0.00 0.00 179.25 179.00 2a81 h ALA 188 N 1.39 0.37 -0.95 0.00 0.00 -0.32 -2.46 119.26 117.29 2a81 h ALA 188 Ca 0.32 -0.19 0.06 0.00 0.00 0.00 0.00 54.91 55.10 2a81 h ALA 188 Cb 0.30 -0.10 -0.06 0.00 0.00 0.00 0.00 17.79 17.92 2a81 h ALA 188 CO -0.24 0.06 0.61 0.82 0.00 0.00 0.00 179.25 180.49 2a81 h ILE 189 N 0.27 1.09 0.11 0.00 2.04 -0.80 -1.28 117.51 118.94 2a81 h ILE 189 Ca 0.08 -0.38 -0.01 0.00 1.00 0.00 0.00 64.86 65.56 2a81 h ILE 189 Cb 0.34 -0.13 0.00 0.00 -0.74 0.00 0.00 36.82 36.29 2a81 h ILE 189 CO 0.01 0.20 -0.05 0.74 0.00 0.00 0.00 178.15 179.04 2a81 h THR 190 N 1.12 0.96 -0.92 -0.27 2.02 -0.98 0.14 112.91 114.98 2a81 h THR 190 Ca 0.40 -0.28 0.21 0.00 0.77 0.00 0.00 66.41 67.52 2a81 h THR 190 Cb 0.14 1.14 -0.12 0.00 -1.74 0.00 0.00 68.15 67.57 2a81 h THR 190 CO -0.16 0.07 0.46 1.56 0.37 0.00 0.00 175.52 177.82 2a81 h GLN 191 N -0.28 0.50 -0.42 6.66 1.08 -1.18 -0.08 115.11 121.40 2a81 h GLN 191 Ca -0.02 -0.03 -0.06 0.00 -1.45 0.00 0.00 58.65 57.09 2a81 h GLN 191 Cb 0.23 -0.11 -0.02 0.00 -0.05 0.00 0.00 27.48 27.53 2a81 h GLN 191 CO 0.03 0.33 0.01 0.00 -0.95 0.00 0.00 178.83 178.25 2a81 h ALA 192 N 1.68 0.56 -0.81 3.87 0.00 -0.26 -1.67 119.26 122.64 2a81 h ALA 192 Ca 0.56 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 55.21 2a81 h ALA 192 Cb 1.01 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.60 2a81 h ALA 192 CO -0.47 0.34 0.46 0.45 0.00 0.00 0.00 179.25 180.03 2a81 h HIS 193 N 0.57 1.08 0.33 0.00 3.86 0.45 0.17 115.15 121.61 2a81 h HIS 193 Ca 0.12 -0.01 -0.02 0.00 -1.16 0.00 0.00 60.37 59.30 2a81 h HIS 193 Cb 0.47 -0.35 0.00 0.00 1.06 0.00 0.00 27.41 28.59 2a81 h HIS 193 CO 0.04 0.73 -0.16 0.28 0.86 0.00 0.00 177.93 179.68 2a81 h VAL 194 N 1.12 0.69 -0.12 2.45 2.07 -0.84 -2.03 116.25 119.59 2a81 h VAL 194 Ca 0.29 -0.17 -0.09 0.00 0.82 0.00 0.00 66.70 67.55 2a81 h VAL 194 Cb -0.01 0.79 -0.01 0.00 -1.52 0.00 0.00 31.29 30.53 2a81 h VAL 194 CO -0.05 0.04 -0.32 0.24 0.02 0.00 0.00 177.57 177.50 2a81 h MET 195 N -0.54 0.22 0.00 1.57 2.86 -1.19 -2.65 114.93 115.20 2a81 h MET 195 Ca -0.05 -0.09 -0.03 0.00 -2.06 0.00 0.00 59.70 57.48 2a81 h MET 195 Cb 0.40 -0.01 -0.00 0.00 0.06 0.00 0.00 31.60 32.04 2a81 h MET 195 CO 0.07 0.53 -0.15 0.00 1.06 0.00 0.00 176.91 178.42 2a81 h ALA 196 N 1.47 1.40 0.00 6.32 0.00 -0.53 -2.28 119.26 125.65 2a81 h ALA 196 Ca 0.03 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.80 2a81 h ALA 196 Cb 0.67 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.44 2a81 h ALA 196 CO 0.05 0.18 0.00 -1.13 0.00 0.00 0.00 179.25 178.35 2a81 n SER 197 N -3.84 0.00 -4.72 0.00 3.41 -0.78 -4.78 113.62 102.92 2a81 n SER 197 Ca -0.02 0.46 -0.42 0.00 -0.26 0.00 0.00 58.87 58.63 2a81 n SER 197 Cb 0.25 -0.48 -0.03 0.00 -0.26 0.00 0.00 64.21 63.68 2a81 n SER 197 CO 0.00 0.00 0.00 -0.31 -0.16 0.00 0.00 175.04 174.57 2a81 s TYR 198 N -2.97 3.49 -0.02 7.33 2.02 -0.86 -4.94 117.35 121.40 2a81 s TYR 198 Ca 0.14 1.40 -0.36 0.00 -0.37 0.00 0.00 57.07 57.89 2a81 s TYR 198 Cb 0.18 -3.35 -0.18 0.00 -0.40 0.00 0.00 41.96 38.21 2a81 s TYR 198 CO 0.50 -0.98 0.97 -2.30 -1.57 0.00 0.00 175.55 172.16 2a81 n PRO 199 N 3.74 0.00 -0.11 -1.71 -0.02 -1.26 -4.81 135.00 130.83 2a81 n PRO 199 Ca 0.08 0.00 -0.12 0.00 -2.02 0.00 0.00 63.50 61.44 2a81 n PRO 199 Cb 0.47 -1.32 -0.03 0.00 -0.02 0.00 0.00 33.50 32.59 2a81 n PRO 199 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2a81 h ALA 200 N 2.73 0.43 -0.10 3.55 0.00 -1.92 -2.54 119.26 121.41 2a81 h ALA 200 Ca -0.45 -0.30 0.04 0.00 0.00 0.00 0.00 54.91 54.21 2a81 h ALA 200 Cb 1.26 -0.11 -0.06 0.00 0.00 0.00 0.00 17.79 18.88 2a81 h ALA 200 CO 0.59 0.28 -0.28 0.66 0.00 0.00 0.00 179.25 180.50 2a81 h SER 201 N 0.39 -0.86 0.00 0.00 4.64 -2.00 -1.04 113.55 114.67 2a81 h SER 201 Ca 0.08 0.13 0.03 0.00 -0.47 0.00 0.00 61.79 61.55 2a81 h SER 201 Cb 0.59 0.37 -0.03 0.00 -0.31 0.00 0.00 62.40 63.01 2a81 h SER 201 CO 0.03 -0.33 -0.18 0.00 -0.87 0.00 0.00 176.83 175.48 2a81 h ALA 202 N 0.50 -0.23 -0.25 5.18 0.00 -1.94 -2.99 119.26 119.54 2a81 h ALA 202 Ca 0.09 0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.90 2a81 h ALA 202 Cb 0.50 0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 2a81 h ALA 202 CO -0.31 -0.68 -0.30 0.35 0.00 0.00 0.00 179.25 178.32 2a81 h PHE 203 N -0.30 0.57 -0.10 0.00 3.04 -1.09 -2.29 116.94 116.77 2a81 h PHE 203 Ca 0.05 -0.13 -0.06 0.00 3.98 0.00 0.00 57.97 61.81 2a81 h PHE 203 Cb 0.37 -0.13 0.00 0.00 2.56 0.00 0.00 35.95 38.74 2a81 h PHE 203 CO -0.23 0.75 -0.19 0.82 -2.02 0.00 0.00 178.31 177.44 2a81 h ILE 204 N 0.43 1.39 -0.20 1.41 2.04 -1.19 -1.33 117.51 120.06 2a81 h ILE 204 Ca 0.06 -1.47 -0.09 0.00 1.00 0.00 0.00 64.86 64.36 2a81 h ILE 204 Cb 0.74 2.10 -0.01 0.00 -0.74 0.00 0.00 36.82 38.91 2a81 h ILE 204 CO 0.06 0.42 -0.28 0.78 0.00 0.00 0.00 178.15 179.13 2a81 h ASN 205 N -0.14 0.39 -0.02 1.72 4.21 -1.48 -1.27 115.58 119.00 2a81 h ASN 205 Ca 0.00 -0.13 -0.01 0.00 1.21 0.00 0.00 56.30 57.38 2a81 h ASN 205 Cb 0.77 -0.11 -0.00 0.00 -1.12 0.00 0.00 38.32 37.87 2a81 h ASN 205 CO 0.04 0.66 -0.02 0.74 -1.29 0.00 0.00 177.43 177.56 2a81 h THR 206 N 0.34 1.39 -0.81 2.81 2.02 -1.43 -2.78 112.91 114.46 2a81 h THR 206 Ca 0.05 -1.19 0.05 0.00 0.77 0.00 0.00 66.41 66.09 2a81 h THR 206 Cb 0.67 2.16 -0.06 0.00 -1.74 0.00 0.00 68.15 69.18 2a81 h THR 206 CO 0.05 0.31 0.50 0.50 0.37 0.00 0.00 175.52 177.25 2a81 h LYS 207 N -0.44 0.90 -0.15 6.66 3.64 -1.14 0.23 116.57 126.28 2a81 h LYS 207 Ca 0.00 -0.05 0.04 0.00 -1.27 0.00 0.00 60.65 59.36 2a81 h LYS 207 Cb 0.52 -0.20 -0.04 0.00 -0.41 0.00 0.00 32.23 32.10 2a81 h LYS 207 CO 0.00 0.60 -0.08 -0.09 -2.27 0.00 0.00 179.45 177.61 2a81 h ARG 208 N 0.93 -0.08 -0.82 1.90 2.43 -1.27 0.57 114.38 118.04 2a81 h ARG 208 Ca 0.35 0.01 0.05 0.00 -0.81 0.00 0.00 59.98 59.58 2a81 h ARG 208 Cb 0.13 0.02 -0.06 0.00 -0.42 0.00 0.00 29.97 29.64 2a81 h ARG 208 CO -0.16 -0.05 0.51 0.00 -1.51 0.00 0.00 179.97 178.76 2a81 h ALA 209 N 1.05 1.11 0.13 2.80 0.00 -1.08 -1.73 119.26 121.54 2a81 h ALA 209 Ca 0.09 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 2a81 h ALA 209 Cb 0.21 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.77 2a81 h ALA 209 CO -0.20 0.26 -0.06 0.28 0.00 0.00 0.00 179.25 179.53 2a81 h VAL 210 N 0.94 1.01 0.00 0.00 2.07 -0.32 -3.20 116.25 116.74 2a81 h VAL 210 Ca 0.35 -0.61 0.00 0.00 0.82 0.00 0.00 66.70 67.26 2a81 h VAL 210 Cb 0.14 1.39 0.00 0.00 -1.52 0.00 0.00 31.29 31.30 2a81 h VAL 210 CO -0.16 0.14 0.00 0.59 0.02 0.00 0.00 177.57 178.16 2a81 n ASN 211 N -5.03 0.00 0.26 0.57 4.13 0.13 -4.07 115.26 111.24 2a81 n ASN 211 Ca -0.09 0.44 -0.16 0.00 1.68 0.00 0.00 54.58 56.45 2a81 n ASN 211 Cb 0.20 -0.48 -0.08 0.00 -1.54 0.00 0.00 39.78 37.88 2a81 n ASN 211 CO 0.00 0.00 0.00 0.50 0.28 0.00 0.00 177.26 178.04 2a81 h LYS 212 N 0.00 -0.79 -0.65 3.52 3.64 -1.31 0.23 116.57 121.21 2a81 h LYS 212 Ca 0.00 0.05 0.10 0.00 -1.27 0.00 0.00 60.65 59.53 2a81 h LYS 212 Cb 0.43 0.18 -0.04 0.00 -0.41 0.00 0.00 32.23 32.39 2a81 h LYS 212 CO 0.00 -0.53 0.43 -1.00 -2.27 0.00 0.00 179.45 176.09 2a81 h PRO 213 N -0.82 0.47 -0.08 1.90 0.13 -1.78 -0.24 132.00 131.58 2a81 h PRO 213 Ca -0.04 -0.03 -0.01 0.00 -0.87 0.00 0.00 66.00 65.06 2a81 h PRO 213 Cb 0.72 -0.11 -0.00 0.00 0.13 0.00 0.00 31.00 31.74 2a81 h PRO 213 CO -0.04 0.31 0.03 0.35 -0.23 0.00 0.00 178.00 178.42 2a81 h PHE 214 N 0.48 0.12 -0.34 1.56 3.04 -1.65 -0.06 116.94 120.10 2a81 h PHE 214 Ca 0.30 -0.01 0.02 0.00 3.98 0.00 0.00 57.97 62.26 2a81 h PHE 214 Cb 0.54 -0.04 -0.03 0.00 2.56 0.00 0.00 35.95 38.98 2a81 h PHE 214 CO -0.00 0.27 0.18 0.82 -2.02 0.00 0.00 178.31 177.56 2a81 h ILE 215 N -0.05 1.01 -0.97 1.41 2.04 -0.16 -1.82 117.51 118.97 2a81 h ILE 215 Ca 0.03 -0.13 0.02 0.00 1.00 0.00 0.00 64.86 65.77 2a81 h ILE 215 Cb 0.20 0.60 -0.05 0.00 -0.74 0.00 0.00 36.82 36.83 2a81 h ILE 215 CO -0.00 0.07 0.64 0.45 0.00 0.00 0.00 178.15 179.31 2a81 h HIS 216 N 0.38 1.21 0.73 1.37 3.86 -0.97 -0.66 115.15 121.06 2a81 h HIS 216 Ca 0.14 0.03 -0.03 0.00 -1.16 0.00 0.00 60.37 59.34 2a81 h HIS 216 Cb 0.03 -0.41 -0.00 0.00 1.06 0.00 0.00 27.41 28.09 2a81 h HIS 216 CO -0.09 0.75 -0.42 1.25 0.86 0.00 0.00 177.93 180.29 2a81 h LEU 217 N 1.30 -1.04 -1.06 2.43 5.85 -0.62 -1.90 115.31 120.27 2a81 h LEU 217 Ca 0.36 0.05 0.20 0.00 0.84 0.00 0.00 57.88 59.34 2a81 h LEU 217 Cb -0.12 0.29 -0.11 0.00 0.37 0.00 0.00 40.66 41.10 2a81 h LEU 217 CO -0.09 -0.66 0.61 -0.07 -0.34 0.00 0.00 178.44 177.89 2a81 h LEU 218 N -1.07 0.73 -0.65 2.25 3.38 -0.90 0.39 115.31 119.44 2a81 h LEU 218 Ca -0.10 0.10 -0.09 0.00 0.09 0.00 0.00 57.88 57.88 2a81 h LEU 218 Cb 0.85 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.55 2a81 h LEU 218 CO 0.12 0.24 0.01 -0.08 0.09 0.00 0.00 178.44 178.81 2a81 h GLU 219 N 0.70 1.06 -0.35 1.13 4.57 -0.90 -2.49 114.58 118.30 2a81 h GLU 219 Ca 0.58 -0.33 -0.13 0.00 -1.18 0.00 0.00 59.36 58.30 2a81 h GLU 219 Cb 0.99 -0.10 -0.01 0.00 -0.16 0.00 0.00 28.75 29.47 2a81 h GLU 219 CO -0.37 1.03 -0.30 1.96 -1.18 0.00 0.00 179.01 180.14 2a81 h GLN 220 N 0.97 0.76 -0.07 1.92 7.50 -0.18 -3.04 115.11 122.97 2a81 h GLN 220 Ca 0.17 -0.35 -0.06 0.00 0.50 0.00 0.00 58.65 58.92 2a81 h GLN 220 Cb 0.55 -0.01 -0.01 0.00 0.05 0.00 0.00 27.48 28.05 2a81 h GLN 220 CO 0.03 0.97 -0.22 1.15 -1.50 0.00 0.00 178.83 179.25 2a81 h THR 221 N 0.65 1.19 -0.49 -0.54 2.02 -0.86 -3.31 112.91 111.57 2a81 h THR 221 Ca 0.07 -0.90 0.04 0.00 0.77 0.00 0.00 66.41 66.40 2a81 h THR 221 Cb 0.83 1.39 -0.06 0.00 -1.74 0.00 0.00 68.15 68.57 2a81 h THR 221 CO 0.07 0.27 -0.29 -0.09 0.37 0.00 0.00 175.52 175.85 2a81 h ARG 222 N 0.10 -0.00 0.82 6.66 2.43 -1.32 -1.37 114.38 121.70 2a81 h ARG 222 Ca 0.02 0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.15 2a81 h ARG 222 Cb 0.45 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 30.01 2a81 h ARG 222 CO 0.03 -0.00 -0.41 -0.44 -1.51 0.00 0.00 179.97 177.64 2a81 h ASP 223 N -0.00 -0.97 -0.62 -3.80 5.19 -1.76 -2.74 116.42 111.72 2a81 h ASP 223 Ca 0.08 0.04 0.10 0.00 -0.62 0.00 0.00 57.03 56.63 2a81 h ASP 223 Cb 0.20 0.26 -0.04 0.00 0.18 0.00 0.00 39.33 39.93 2a81 h ASP 223 CO -0.46 -0.68 0.42 0.00 -3.12 0.00 0.00 179.24 175.40 2a81 h ALA 224 N -0.93 2.03 -0.18 3.45 0.00 -1.71 -2.04 119.26 119.88 2a81 h ALA 224 Ca -0.11 -0.01 -0.18 0.00 0.00 0.00 0.00 54.91 54.61 2a81 h ALA 224 Cb 0.86 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.57 2a81 h ALA 224 CO 0.17 -0.17 -0.63 0.77 0.00 0.00 0.00 179.25 179.40 2a81 h SER 225 N 0.41 0.71 -0.82 0.00 0.02 -1.16 -1.92 113.55 110.79 2a81 h SER 225 Ca 0.29 -0.41 0.18 0.00 -0.84 0.00 0.00 61.79 61.01 2a81 h SER 225 Cb 0.58 -0.21 -0.05 0.00 0.14 0.00 0.00 62.40 62.86 2a81 h SER 225 CO -0.08 1.16 0.55 0.11 -1.14 0.00 0.00 176.83 177.43 2a81 h LYS 226 N 0.46 0.36 -0.36 3.45 1.57 -1.06 -2.21 116.57 118.77 2a81 h LYS 226 Ca -0.01 -0.02 -0.08 0.00 -1.87 0.00 0.00 60.65 58.67 2a81 h LYS 226 Cb 1.20 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 33.42 2a81 h LYS 226 CO 0.12 0.24 -0.09 0.00 -0.57 0.00 0.00 179.45 179.15 2a81 h ALA 227 N 1.63 0.49 -0.16 3.86 0.00 -1.17 -1.61 119.26 122.30 2a81 h ALA 227 Ca 0.41 -0.30 -0.14 0.00 0.00 0.00 0.00 54.91 54.88 2a81 h ALA 227 Cb 1.05 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.72 2a81 h ALA 227 CO -0.13 0.34 -0.44 -0.39 0.00 0.00 0.00 179.25 178.63 2a81 h VAL 228 N 0.48 1.34 -0.29 0.00 -1.51 -1.25 -2.62 116.25 112.40 2a81 h VAL 228 Ca 0.09 -1.70 -0.16 0.00 -1.23 0.00 0.00 66.70 63.70 2a81 h VAL 228 Cb 0.59 1.99 -0.01 0.00 -2.13 0.00 0.00 31.29 31.74 2a81 h VAL 228 CO 0.04 0.52 -0.45 0.45 -1.23 0.00 0.00 177.57 176.90 2a81 h HIS 229 N 0.23 0.92 -0.43 5.19 -0.00 -1.50 0.54 115.15 120.12 2a81 h HIS 229 Ca -0.01 -0.29 0.07 0.00 -0.00 0.00 0.00 60.37 60.14 2a81 h HIS 229 Cb 1.06 -0.19 -0.06 0.00 -0.00 0.00 0.00 27.41 28.22 2a81 h HIS 229 CO 0.10 1.07 0.07 0.87 -0.00 0.00 0.00 177.93 180.04 2a81 h LYS 230 N 0.61 0.19 -0.15 2.45 1.57 -1.33 -1.26 116.57 118.65 2a81 h LYS 230 Ca 0.04 -0.01 -0.18 0.00 -1.87 0.00 0.00 60.65 58.62 2a81 h LYS 230 Cb 1.01 -0.04 -0.00 0.00 0.08 0.00 0.00 32.23 33.28 2a81 h LYS 230 CO 0.10 0.13 -0.65 0.00 -0.57 0.00 0.00 179.45 178.45 2a81 h ALA 231 N 1.33 0.58 -0.04 3.86 0.00 -1.04 -3.27 119.26 120.68 2a81 h ALA 231 Ca 0.21 -0.56 -0.01 0.00 0.00 0.00 0.00 54.91 54.55 2a81 h ALA 231 Cb 0.27 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 2a81 h ALA 231 CO -0.29 0.71 -0.00 0.00 0.00 0.00 0.00 179.25 179.68 2a81 h ALA 232 N 0.87 0.05 -0.19 0.00 0.00 0.18 -3.36 119.26 116.81 2a81 h ALA 232 Ca -0.02 -0.18 -0.54 0.00 0.00 0.00 0.00 54.91 54.18 2a81 h ALA 232 Cb 1.23 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 19.02 2a81 h ALA 232 CO 0.12 -0.27 1.85 1.19 0.00 0.00 0.00 179.25 182.14 2a81 n PHE 233 N -4.88 2.25 -3.11 0.00 3.01 -0.49 -4.40 117.46 109.85 2a81 n PHE 233 Ca -0.07 -1.71 0.03 0.00 1.01 0.00 0.00 57.45 56.71 2a81 n PHE 233 Cb 0.19 -2.06 -0.00 0.00 -0.01 0.00 0.00 39.48 37.60 2a81 n PHE 233 CO 0.00 0.00 0.00 1.14 1.01 0.00 0.00 176.76 178.91 2a81 s GLN 234 N 5.51 0.51 0.00 -1.08 -2.07 -1.26 -4.91 119.66 116.37 2a81 s GLN 234 Ca 0.61 0.11 0.00 0.00 -1.82 0.00 0.00 55.36 54.26 2a81 s GLN 234 Cb 0.09 0.13 0.00 0.00 -1.09 0.00 0.00 33.01 32.14 2a81 s GLN 234 CO 0.12 -0.83 0.00 0.00 -1.32 0.00 0.00 175.29 173.27