#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 -0.03 -0.20 2.03 -7.23 -1.26 0.18 120.40 113.89 2a81 s VAL 2 Ca 0.00 0.10 -0.09 0.00 -1.81 0.00 0.00 61.98 60.18 2a81 s VAL 2 Cb 0.00 -0.29 -0.05 0.00 0.56 0.00 0.00 36.38 36.60 2a81 s VAL 2 CO 0.00 0.04 0.11 0.72 -0.31 0.00 0.00 175.10 175.66 2a81 s PHE 3 N 0.77 3.32 -0.35 2.82 -0.12 -0.63 -4.93 117.98 118.86 2a81 s PHE 3 Ca -0.06 0.18 -0.09 0.00 -0.05 0.00 0.00 56.93 56.91 2a81 s PHE 3 Cb -0.07 -2.16 0.03 0.00 -0.63 0.00 0.00 43.02 40.19 2a81 s PHE 3 CO -0.04 0.16 0.17 -1.21 -0.05 0.00 0.00 175.22 174.24 2a81 s GLU 4 N 0.58 2.85 0.48 1.99 2.02 -1.26 -1.18 118.70 124.18 2a81 s GLU 4 Ca 0.06 -1.05 0.06 0.00 0.02 0.00 0.00 54.97 54.07 2a81 s GLU 4 Cb -0.12 -3.62 0.00 0.00 0.10 0.00 0.00 34.13 30.49 2a81 s GLU 4 CO 0.01 -0.64 0.36 -1.21 0.02 0.00 0.00 175.26 173.79 2a81 s GLU 5 N 1.52 2.33 -0.05 1.61 2.02 -0.37 -4.97 118.70 120.80 2a81 s GLU 5 Ca 0.01 -1.85 0.01 0.00 0.02 0.00 0.00 54.97 53.17 2a81 s GLU 5 Cb -0.19 -2.16 0.02 0.00 0.10 0.00 0.00 34.13 31.90 2a81 s GLU 5 CO 0.05 -0.41 -0.05 -0.80 0.02 0.00 0.00 175.26 174.08 2a81 s ASN 6 N -4.17 1.04 -0.96 -0.19 -0.87 -1.26 -1.41 114.94 107.11 2a81 s ASN 6 Ca 0.40 -0.14 -0.03 0.00 -1.57 0.00 0.00 52.86 51.52 2a81 s ASN 6 Cb -0.01 -0.48 0.27 0.00 -0.02 0.00 0.00 41.25 41.00 2a81 s ASN 6 CO 0.23 -0.05 1.07 -0.24 -2.57 0.00 0.00 177.10 175.55 2a81 n SER 7 N 4.06 5.11 0.00 -1.22 2.88 0.07 -5.00 113.62 119.52 2a81 n SER 7 Ca -0.24 -3.26 0.00 0.00 -1.33 0.00 0.00 58.87 54.04 2a81 n SER 7 Cb 0.51 -1.12 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 1.82 0.00 0.00 -3.46 8.00 -1.26 -2.36 116.55 119.29 2a81 n ASP 8 Ca 0.25 0.00 0.06 0.00 0.71 0.00 0.00 54.79 55.81 2a81 n ASP 8 Cb 0.37 0.00 0.28 0.00 -0.02 0.00 0.00 41.12 41.74 2a81 n ASP 8 CO 0.00 0.00 0.00 -1.84 -0.39 0.00 0.00 177.20 174.97 2a81 n GLU 9 N 14.00 0.05 -3.23 -1.24 0.00 -1.26 -4.59 120.64 124.37 2a81 n GLU 9 Ca 0.00 0.26 -0.39 0.00 0.00 0.00 0.00 57.16 57.03 2a81 n GLU 9 Cb 0.00 -1.50 -0.06 0.00 0.00 0.00 0.00 31.44 29.88 2a81 n GLU 9 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.13 177.21 2a81 s VAL 10 N -2.89 5.12 -0.13 3.84 1.01 -0.99 -0.31 120.40 126.05 2a81 s VAL 10 Ca 0.07 1.05 -0.14 0.00 0.00 0.00 0.00 61.98 62.96 2a81 s VAL 10 Cb 0.08 -3.87 -0.05 0.00 0.00 0.00 0.00 36.38 32.54 2a81 s VAL 10 CO 0.22 0.23 0.32 -0.60 0.00 0.00 0.00 175.10 175.26 2a81 s ARG 11 N 1.20 4.14 -0.25 2.72 6.06 -0.26 -0.75 118.95 131.81 2a81 s ARG 11 Ca 0.27 0.16 -0.01 0.00 -2.50 0.00 0.00 55.73 53.65 2a81 s ARG 11 Cb -0.16 -3.38 0.03 0.00 0.06 0.00 0.00 34.95 31.51 2a81 s ARG 11 CO 0.11 0.35 -0.07 0.08 -2.50 0.00 0.00 175.30 173.26 2a81 s VAL 12 N 0.12 2.76 -0.31 7.11 1.01 -0.50 -1.18 120.40 129.40 2a81 s VAL 12 Ca 0.18 -1.08 -0.11 0.00 0.00 0.00 0.00 61.98 60.97 2a81 s VAL 12 Cb -0.14 -2.41 -0.03 0.00 0.00 0.00 0.00 36.38 33.81 2a81 s VAL 12 CO 0.06 0.19 0.20 -0.63 0.00 0.00 0.00 175.10 174.92 2a81 s ILE 13 N 1.30 5.10 -0.25 2.22 1.01 0.90 -1.23 121.20 130.25 2a81 s ILE 13 Ca -0.00 -0.13 -0.05 0.00 0.00 0.00 0.00 60.65 60.46 2a81 s ILE 13 Cb -0.17 -3.54 -0.01 0.00 0.01 0.00 0.00 42.46 38.75 2a81 s ILE 13 CO -0.05 0.11 0.01 -0.89 0.00 0.00 0.00 174.94 174.12 2a81 s THR 14 N 1.71 3.72 0.29 2.92 2.01 -0.33 -0.98 115.64 124.97 2a81 s THR 14 Ca 0.06 -0.48 -0.29 0.00 0.31 0.00 0.00 61.69 61.29 2a81 s THR 14 Cb -0.17 -2.77 -0.10 0.00 0.01 0.00 0.00 72.50 69.48 2a81 s THR 14 CO 0.09 0.32 1.31 -0.76 -0.69 0.00 0.00 174.62 174.89 2a81 s LEU 15 N 1.51 4.43 -0.37 4.42 1.43 0.32 -1.60 118.68 128.82 2a81 s LEU 15 Ca 0.05 2.60 0.13 0.00 -1.03 0.00 0.00 54.13 55.87 2a81 s LEU 15 Cb -0.15 -3.64 0.38 0.00 0.03 0.00 0.00 46.19 42.81 2a81 s LEU 15 CO -0.00 -0.53 0.86 -0.67 0.23 0.00 0.00 176.35 176.24 2a81 n ASP 16 N 1.41 0.46 -4.78 2.29 2.03 0.13 -4.56 116.55 113.53 2a81 n ASP 16 Ca 0.02 -2.99 -0.36 0.00 0.52 0.00 0.00 54.79 51.98 2a81 n ASP 16 Cb 0.42 -0.21 -0.02 0.00 -0.72 0.00 0.00 41.12 40.59 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 -2.15 2.98 0.35 -0.67 5.65 -1.25 -4.53 115.29 115.67 2a81 s HIS 17 Ca 0.34 1.58 0.15 0.00 0.25 0.00 0.00 55.06 57.37 2a81 s HIS 17 Cb 0.37 -3.24 1.05 0.00 -1.18 0.00 0.00 32.58 29.58 2a81 s HIS 17 CO -0.05 -1.14 1.70 -1.35 -0.65 0.00 0.00 174.74 173.25 2a81 h PRO 18 N 1.97 0.40 -6.38 2.88 0.11 -1.98 -3.40 132.00 125.61 2a81 h PRO 18 Ca -0.49 -0.02 -0.54 0.00 0.11 0.00 0.00 66.00 65.05 2a81 h PRO 18 Cb 1.24 -0.09 -0.02 0.00 0.11 0.00 0.00 31.00 32.23 2a81 h PRO 18 CO 0.60 0.26 0.38 1.21 -0.21 0.00 0.00 178.00 180.24 2a81 s ASN 19 N -5.03 7.34 0.00 -2.05 3.84 -1.26 -4.94 114.94 112.84 2a81 s ASN 19 Ca -0.10 1.62 0.10 0.00 0.21 0.00 0.00 52.86 54.69 2a81 s ASN 19 Cb 0.28 -2.56 0.43 0.00 -0.55 0.00 0.00 41.25 38.85 2a81 s ASN 19 CO 0.80 -0.27 1.29 2.29 -2.79 0.00 0.00 177.10 178.41 2a81 n LYS 20 N 4.02 0.02 -0.25 0.43 2.85 -1.26 -1.16 118.16 122.80 2a81 n LYS 20 Ca 0.06 0.31 0.09 0.00 -1.05 0.00 0.00 58.31 57.72 2a81 n LYS 20 Cb 0.51 -1.50 0.25 0.00 -0.65 0.00 0.00 35.03 33.63 2a81 n LYS 20 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 177.40 178.07 2a81 n HIS 21 N -1.46 0.67 -3.94 5.58 8.25 -1.26 -1.28 115.22 121.76 2a81 n HIS 21 Ca 0.03 -0.33 -0.37 0.00 -0.26 0.00 0.00 57.72 56.79 2a81 n HIS 21 Cb 0.11 0.00 0.01 0.00 1.12 0.00 0.00 29.99 31.23 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 1.06 -3.46 -4.77 0.41 3.02 -0.31 -0.80 115.26 110.40 2a81 n ASN 22 Ca 0.18 -1.16 -0.37 0.00 -0.03 0.00 0.00 54.58 53.20 2a81 n ASN 22 Cb 0.46 -2.47 -0.01 0.00 -0.61 0.00 0.00 39.78 37.14 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 -6.79 3.85 -1.00 3.52 0.04 -1.26 -3.75 135.00 129.61 2a81 s PRO 23 Ca 0.36 1.80 -0.23 0.00 0.04 0.00 0.00 61.00 62.98 2a81 s PRO 23 Cb -0.17 -2.49 0.06 0.00 0.04 0.00 0.00 34.50 31.94 2a81 s PRO 23 CO 0.92 -0.48 1.41 -0.06 0.04 0.00 0.00 177.00 178.84 2a81 s PHE 24 N -1.50 2.58 0.71 0.56 0.08 -1.01 -4.88 117.98 114.52 2a81 s PHE 24 Ca 0.61 -0.87 -0.10 0.00 0.12 0.00 0.00 56.93 56.70 2a81 s PHE 24 Cb -0.29 -4.66 0.04 0.00 -0.57 0.00 0.00 43.02 37.54 2a81 s PHE 24 CO 0.36 -1.90 1.06 -1.54 -0.10 0.00 0.00 175.22 173.10 2a81 s SER 25 N 4.81 5.15 0.22 1.36 1.04 -1.26 -4.54 113.70 120.47 2a81 s SER 25 Ca 0.44 0.85 -0.08 0.00 0.48 0.00 0.00 55.95 57.64 2a81 s SER 25 Cb -0.01 -1.59 0.30 0.00 0.10 0.00 0.00 66.02 64.82 2a81 s SER 25 CO -0.09 -1.46 1.79 -0.09 0.98 0.00 0.00 173.24 174.36 2a81 h ARG 26 N -0.64 0.59 -0.86 4.02 2.43 -2.00 -1.98 114.38 115.94 2a81 h ARG 26 Ca -0.45 -0.04 0.01 0.00 -0.81 0.00 0.00 59.98 58.69 2a81 h ARG 26 Cb 1.28 -0.13 -0.04 0.00 -0.42 0.00 0.00 29.97 30.66 2a81 h ARG 26 CO 0.63 0.39 0.57 1.15 -1.51 0.00 0.00 179.97 181.20 2a81 h THR 27 N 0.61 1.22 -0.34 0.20 2.02 -1.98 -2.27 112.91 112.37 2a81 h THR 27 Ca 0.33 -0.40 -0.07 0.00 0.77 0.00 0.00 66.41 67.03 2a81 h THR 27 Cb 0.30 -0.04 -0.01 0.00 -1.74 0.00 0.00 68.15 66.66 2a81 h THR 27 CO -0.24 0.21 -0.05 0.25 0.37 0.00 0.00 175.52 176.06 2a81 h LEU 28 N 1.16 0.64 -0.37 2.58 5.85 -1.76 -2.25 115.31 121.17 2a81 h LEU 28 Ca 0.31 -0.35 0.08 0.00 0.84 0.00 0.00 57.88 58.77 2a81 h LEU 28 Cb -0.13 -0.17 -0.08 0.00 0.37 0.00 0.00 40.66 40.64 2a81 h LEU 28 CO -0.07 0.84 -0.22 -0.33 -0.34 0.00 0.00 178.44 178.32 2a81 h GLU 29 N 0.44 -0.16 -0.16 1.25 5.08 -1.06 -1.12 114.58 118.84 2a81 h GLU 29 Ca 0.09 0.01 0.05 0.00 -1.00 0.00 0.00 59.36 58.51 2a81 h GLU 29 Cb 0.54 0.04 -0.07 0.00 0.50 0.00 0.00 28.75 29.76 2a81 h GLU 29 CO 0.03 -0.10 -0.33 1.15 -1.00 0.00 0.00 179.01 178.75 2a81 h THR 30 N -0.16 0.26 -0.29 1.13 2.02 -1.24 0.63 112.91 115.26 2a81 h THR 30 Ca 0.18 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.41 2a81 h THR 30 Cb 0.44 0.26 -0.04 0.00 -1.74 0.00 0.00 68.15 67.07 2a81 h THR 30 CO -0.47 0.00 0.02 0.28 0.37 0.00 0.00 175.52 175.72 2a81 h SER 31 N -0.39 -0.08 -0.70 4.18 0.02 -0.95 0.29 113.55 115.91 2a81 h SER 31 Ca 0.10 0.06 -0.02 0.00 -0.84 0.00 0.00 61.79 61.10 2a81 h SER 31 Cb 0.56 0.10 -0.03 0.00 0.14 0.00 0.00 62.40 63.16 2a81 h SER 31 CO -0.38 -0.01 0.37 0.58 -1.14 0.00 0.00 176.83 176.25 2a81 h VAL 32 N 0.11 1.22 -0.25 2.27 2.07 -0.80 0.89 116.25 121.76 2a81 h VAL 32 Ca 0.14 -0.57 -0.03 0.00 0.82 0.00 0.00 66.70 67.06 2a81 h VAL 32 Cb 0.17 0.32 -0.01 0.00 -1.52 0.00 0.00 31.29 30.25 2a81 h VAL 32 CO -0.22 0.25 0.05 0.11 0.02 0.00 0.00 177.57 177.78 2a81 h LYS 33 N 0.97 0.41 -0.62 1.57 1.57 -0.42 -1.73 116.57 118.32 2a81 h LYS 33 Ca 0.24 -0.10 -0.06 0.00 -1.87 0.00 0.00 60.65 58.87 2a81 h LYS 33 Cb 0.06 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.29 2a81 h LYS 33 CO -0.04 0.52 0.16 -0.44 -0.57 0.00 0.00 179.45 179.08 2a81 h ASP 34 N 0.23 0.91 -0.33 0.86 3.32 -0.54 -0.74 116.42 120.13 2a81 h ASP 34 Ca 0.08 -0.17 -0.13 0.00 0.02 0.00 0.00 57.03 56.83 2a81 h ASP 34 Cb 0.30 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.60 2a81 h ASP 34 CO 0.00 0.87 -0.27 0.00 -1.72 0.00 0.00 179.24 178.12 2a81 h ALA 35 N 1.24 0.77 -0.73 3.45 0.00 -0.76 -2.08 119.26 121.15 2a81 h ALA 35 Ca 0.20 -0.40 -0.05 0.00 0.00 0.00 0.00 54.91 54.66 2a81 h ALA 35 Cb 0.32 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 2a81 h ALA 35 CO -0.00 0.65 0.24 -0.07 0.00 0.00 0.00 179.25 180.08 2a81 h LEU 36 N 0.72 1.05 0.30 0.00 4.07 -0.98 -1.51 115.31 118.95 2a81 h LEU 36 Ca 0.09 -0.20 -0.01 0.00 0.08 0.00 0.00 57.88 57.83 2a81 h LEU 36 Cb 0.82 -0.27 0.00 0.00 1.08 0.00 0.00 40.66 42.29 2a81 h LEU 36 CO 0.07 0.97 -0.14 0.00 -1.08 0.00 0.00 178.44 178.25 2a81 h ALA 37 N 1.12 -0.40 -0.49 1.53 0.00 -0.97 -1.35 119.26 118.70 2a81 h ALA 37 Ca 0.24 -0.09 0.05 0.00 0.00 0.00 0.00 54.91 55.11 2a81 h ALA 37 Cb 0.28 0.15 -0.05 0.00 0.00 0.00 0.00 17.79 18.18 2a81 h ALA 37 CO -0.01 -0.71 0.22 0.00 0.00 0.00 0.00 179.25 178.75 2a81 h ARG 38 N -0.42 0.43 -0.82 0.00 3.08 -1.33 0.79 114.38 116.11 2a81 h ARG 38 Ca -0.04 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 59.97 2a81 h ARG 38 Cb 0.32 -0.10 -0.04 0.00 0.08 0.00 0.00 29.97 30.23 2a81 h ARG 38 CO 0.07 0.28 0.47 0.00 -1.07 0.00 0.00 179.97 179.72 2a81 h ALA 39 N 1.29 1.04 -0.31 0.04 0.00 -1.16 0.15 119.26 120.30 2a81 h ALA 39 Ca 0.22 -0.11 -0.17 0.00 0.00 0.00 0.00 54.91 54.86 2a81 h ALA 39 Cb 0.17 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 17.63 2a81 h ALA 39 CO -0.18 0.53 -0.46 -0.97 0.00 0.00 0.00 179.25 178.16 2a81 h ASN 40 N 1.13 0.91 1.55 0.00 -1.24 -0.81 -3.11 115.58 114.00 2a81 h ASN 40 Ca 0.29 -0.45 0.00 0.00 0.71 0.00 0.00 56.30 56.85 2a81 h ASN 40 Cb -0.00 -0.26 0.00 0.00 0.73 0.00 0.00 38.32 38.79 2a81 h ASN 40 CO -0.05 1.22 0.00 0.00 -1.29 0.00 0.00 177.43 177.31 2a81 h ALA 41 N 0.81 1.00 -2.48 1.57 0.00 -0.49 -3.45 119.26 116.22 2a81 h ALA 41 Ca 0.04 0.00 -0.59 0.00 0.00 0.00 0.00 54.91 54.36 2a81 h ALA 41 Cb 1.05 0.00 -0.09 0.00 0.00 0.00 0.00 17.79 18.75 2a81 h ALA 41 CO 0.10 0.00 0.24 0.34 0.00 0.00 0.00 179.25 179.93 2a81 s ASP 42 N -5.44 6.78 0.23 0.00 -1.08 0.48 -4.96 116.67 112.70 2a81 s ASP 42 Ca 0.07 0.96 0.02 0.00 -0.52 0.00 0.00 52.55 53.08 2a81 s ASP 42 Cb 0.08 -2.39 0.25 0.00 -1.46 0.00 0.00 42.92 39.40 2a81 s ASP 42 CO 0.60 -0.34 1.58 0.44 0.52 0.00 0.00 175.17 177.97 2a81 h ASP 43 N 7.46 0.41 0.07 -0.34 3.32 -1.86 -2.73 116.42 122.74 2a81 h ASP 43 Ca -0.30 -0.21 -0.00 0.00 0.02 0.00 0.00 57.03 56.54 2a81 h ASP 43 Cb 1.13 -0.12 -0.00 0.00 0.22 0.00 0.00 39.33 40.57 2a81 h ASP 43 CO 0.80 0.85 -0.02 0.77 -1.72 0.00 0.00 179.24 179.93 2a81 h SER 44 N 0.29 0.00 -3.37 6.45 4.64 -1.94 -3.40 113.55 116.22 2a81 h SER 44 Ca 0.01 0.00 -0.56 0.00 -0.47 0.00 0.00 61.79 60.77 2a81 h SER 44 Cb 1.01 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.05 2a81 h SER 44 CO 0.09 0.02 0.09 -0.69 -0.87 0.00 0.00 176.83 175.47 2a81 s VAL 45 N -4.44 4.99 0.00 0.95 1.01 -1.03 -4.51 120.40 117.36 2a81 s VAL 45 Ca -0.05 1.46 0.00 0.00 0.00 0.00 0.00 61.98 63.39 2a81 s VAL 45 Cb 0.14 -4.04 0.00 0.00 0.00 0.00 0.00 36.38 32.48 2a81 s VAL 45 CO 0.52 0.28 0.13 0.54 0.00 0.00 0.00 175.10 176.57 2a81 n ARG 46 N 3.54 4.36 -3.50 2.72 1.74 0.58 -4.90 116.66 121.21 2a81 n ARG 46 Ca -0.02 -0.13 -0.12 0.00 -0.77 0.00 0.00 57.85 56.81 2a81 n ARG 46 Cb 0.51 -0.60 -0.04 0.00 -1.02 0.00 0.00 32.46 31.31 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 -0.66 -1.76 -0.04 7.54 0.00 -1.20 -4.15 121.76 121.48 2a81 s ALA 47 Ca 0.00 1.04 0.02 0.00 0.00 0.00 0.00 51.96 53.03 2a81 s ALA 47 Cb 0.00 0.25 0.01 0.00 0.00 0.00 0.00 23.12 23.38 2a81 s ALA 47 CO 0.00 -0.56 -0.10 0.08 0.00 0.00 0.00 175.76 175.19 2a81 s VAL 48 N -2.43 0.87 -0.13 0.00 1.01 -0.33 -1.10 120.40 118.30 2a81 s VAL 48 Ca -0.02 -0.37 0.02 0.00 0.00 0.00 0.00 61.98 61.61 2a81 s VAL 48 Cb -0.01 -0.80 -0.00 0.00 0.00 0.00 0.00 36.38 35.57 2a81 s VAL 48 CO -0.03 0.28 -0.19 -0.69 0.00 0.00 0.00 175.10 174.47 2a81 s VAL 49 N 0.46 2.41 -0.12 2.92 1.01 -0.33 -0.64 120.40 126.12 2a81 s VAL 49 Ca -0.08 -0.88 -0.02 0.00 0.00 0.00 0.00 61.98 61.00 2a81 s VAL 49 Cb -0.12 -1.97 -0.03 0.00 0.00 0.00 0.00 36.38 34.26 2a81 s VAL 49 CO 0.01 0.54 -0.03 -0.69 0.00 0.00 0.00 175.10 174.94 2a81 s VAL 50 N 0.57 4.03 -0.06 2.92 1.01 -0.55 -0.07 120.40 128.25 2a81 s VAL 50 Ca -0.11 -0.33 -0.06 0.00 0.00 0.00 0.00 61.98 61.47 2a81 s VAL 50 Cb -0.16 -2.72 0.01 0.00 0.00 0.00 0.00 36.38 33.51 2a81 s VAL 50 CO 0.04 0.55 0.16 -0.47 0.00 0.00 0.00 175.10 175.38 2a81 s TYR 51 N -0.29 -0.16 0.23 5.22 5.04 -0.16 -1.29 117.35 125.94 2a81 s TYR 51 Ca 0.05 0.38 0.16 0.00 -2.44 0.00 0.00 57.07 55.22 2a81 s TYR 51 Cb -0.12 0.05 0.61 0.00 0.35 0.00 0.00 41.96 42.84 2a81 s TYR 51 CO 0.02 -0.11 1.72 0.78 -1.34 0.00 0.00 175.55 176.62 2a81 h GLY 52 N 5.72 0.00 0.00 8.97 0.00 -1.79 0.94 103.07 116.91 2a81 h GLY 52 Ca -0.26 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.07 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 0.12 2.81 3.75 4.60 0.00 -1.26 -4.31 105.19 110.90 2a81 n GLY 53 Ca -0.01 -1.88 -0.41 0.00 0.00 0.00 0.00 46.02 43.72 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 -2.68 3.60 -1.73 4.61 0.00 -1.26 -2.68 121.76 121.62 2a81 s ALA 54 Ca 0.00 1.28 0.00 0.00 0.00 0.00 0.00 51.96 53.24 2a81 s ALA 54 Cb 0.00 -3.54 0.00 0.00 0.00 0.00 0.00 23.12 19.58 2a81 s ALA 54 CO 0.00 -0.69 0.00 0.39 0.00 0.00 0.00 175.76 175.46 2a81 n GLU 55 N 2.28 -1.44 -3.96 0.00 -0.58 -1.26 -4.98 120.64 110.69 2a81 n GLU 55 Ca 0.06 0.99 -0.09 0.00 -0.42 0.00 0.00 57.16 57.70 2a81 n GLU 55 Cb 0.41 -5.46 -0.11 0.00 -0.57 0.00 0.00 31.44 25.71 2a81 n GLU 55 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 2a81 s ARG 56 N -4.53 0.37 0.39 3.49 0.52 -1.09 -4.99 118.95 113.11 2a81 s ARG 56 Ca 0.00 -0.61 -0.24 0.00 -0.52 0.00 0.00 55.73 54.36 2a81 s ARG 56 Cb 0.00 0.14 -0.09 0.00 0.52 0.00 0.00 34.95 35.52 2a81 s ARG 56 CO 0.00 -0.07 1.02 -1.12 0.02 0.00 0.00 175.30 175.15 2a81 s SER 57 N -1.56 6.90 0.12 0.23 0.01 -0.41 -4.21 113.70 114.78 2a81 s SER 57 Ca -0.14 1.97 -0.29 0.00 1.31 0.00 0.00 55.95 58.79 2a81 s SER 57 Cb -0.08 -2.58 -0.07 0.00 0.21 0.00 0.00 66.02 63.50 2a81 s SER 57 CO -0.01 -0.39 1.59 0.15 0.41 0.00 0.00 173.24 174.99 2a81 h PHE 58 N 2.59 -1.14 -1.06 2.43 3.57 -1.25 -3.39 116.94 118.69 2a81 h PHE 58 Ca -0.48 0.04 0.21 0.00 3.53 0.00 0.00 57.97 61.27 2a81 h PHE 58 Cb 1.21 0.51 -0.33 0.00 2.79 0.00 0.00 35.95 40.12 2a81 h PHE 58 CO 0.59 -0.48 0.77 0.45 -2.23 0.00 0.00 178.31 177.41 2a81 s SER 59 N -4.81 -0.05 -0.01 0.41 0.15 -0.97 -4.56 113.70 103.85 2a81 s SER 59 Ca -0.16 0.09 0.07 0.00 0.70 0.00 0.00 55.95 56.65 2a81 s SER 59 Cb 0.09 0.94 0.21 0.00 -1.71 0.00 0.00 66.02 65.55 2a81 s SER 59 CO 0.64 -0.01 1.13 0.00 1.20 0.00 0.00 173.24 176.19 2a81 n ALA 60 N 2.94 2.53 -0.34 5.45 0.00 0.02 -1.76 120.51 129.34 2a81 n ALA 60 Ca -0.17 -0.44 0.00 0.00 0.00 0.00 0.00 53.44 52.84 2a81 n ALA 60 Cb 0.56 -0.99 0.00 0.00 0.00 0.00 0.00 19.45 19.02 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 0.77 -0.88 3.87 0.00 0.00 -1.21 -4.52 105.19 103.21 2a81 n GLY 61 Ca 0.08 -1.17 -0.31 0.00 0.00 0.00 0.00 46.02 44.62 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 -1.66 1.65 -0.25 -0.02 0.00 -1.26 -2.40 107.32 103.38 2a81 s GLY 62 Ca 0.00 -0.16 -0.26 0.00 0.00 0.00 0.00 44.72 44.30 2a81 s GLY 62 CO 0.00 0.14 0.90 -0.35 0.00 0.00 0.00 173.10 173.79 2a81 s ASP 63 N -4.22 6.90 0.44 1.64 -1.08 -1.26 -4.94 116.67 114.16 2a81 s ASP 63 Ca 0.56 1.11 0.30 0.00 -0.52 0.00 0.00 52.55 54.01 2a81 s ASP 63 Cb -0.11 -2.47 1.27 0.00 -1.46 0.00 0.00 42.92 40.15 2a81 s ASP 63 CO 0.53 -0.58 1.89 -0.26 0.52 0.00 0.00 175.17 177.28 2a81 h PHE 64 N 7.65 0.00 -0.31 -5.34 -1.00 -1.97 -1.25 116.94 114.72 2a81 h PHE 64 Ca -0.22 0.00 -0.16 0.00 2.81 0.00 0.00 57.97 60.41 2a81 h PHE 64 Cb 1.08 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 40.64 2a81 h PHE 64 CO 0.76 0.00 -0.41 -0.97 -1.61 0.00 0.00 178.31 176.07 2a81 h ASN 65 N 0.00 0.90 -0.32 2.17 -1.24 -1.98 -2.38 115.58 112.73 2a81 h ASN 65 Ca 0.00 -0.50 -0.13 0.00 0.71 0.00 0.00 56.30 56.38 2a81 h ASN 65 Cb 0.41 -0.26 -0.00 0.00 0.73 0.00 0.00 38.32 39.20 2a81 h ASN 65 CO 0.00 1.22 -0.32 -0.33 -1.29 0.00 0.00 177.43 176.71 2a81 h GLU 66 N 0.61 0.78 0.41 6.67 3.07 -1.69 -2.73 114.58 121.70 2a81 h GLU 66 Ca 0.04 -0.41 -0.01 0.00 -0.50 0.00 0.00 59.36 58.47 2a81 h GLU 66 Cb 1.01 0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 28.92 2a81 h GLU 66 CO 0.10 1.04 -0.27 0.28 -1.40 0.00 0.00 179.01 178.76 2a81 h VAL 67 N 0.55 0.44 0.00 3.13 2.07 -1.33 -2.10 116.25 119.02 2a81 h VAL 67 Ca 0.05 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.57 2a81 h VAL 67 Cb 0.90 0.44 0.00 0.00 -1.52 0.00 0.00 31.29 31.11 2a81 h VAL 67 CO 0.08 0.00 0.00 0.11 0.02 0.00 0.00 177.57 177.78 2a81 h LYS 68 N -0.65 0.00 -0.02 1.57 1.57 -1.47 -0.88 116.57 116.68 2a81 h LYS 68 Ca -0.04 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.73 2a81 h LYS 68 Cb 0.55 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.86 2a81 h LYS 68 CO 0.03 0.00 -0.00 0.37 -0.57 0.00 0.00 179.45 179.28 2a81 h GLN 69 N 0.00 0.04 -5.55 3.15 5.75 -1.05 -3.44 115.11 114.00 2a81 h GLN 69 Ca 0.00 -0.01 -0.55 0.00 -0.15 0.00 0.00 58.65 57.94 2a81 h GLN 69 Cb 0.02 -0.00 -0.03 0.00 1.07 0.00 0.00 27.48 28.54 2a81 h GLN 69 CO 0.00 0.39 1.60 1.28 -2.65 0.00 0.00 178.83 179.45 2a81 n LEU 70 N -4.89 1.60 -0.05 -2.39 4.77 -0.34 -4.77 117.00 110.94 2a81 n LEU 70 Ca -0.08 0.02 -0.04 0.00 -0.03 0.00 0.00 56.01 55.88 2a81 n LEU 70 Cb 0.20 -1.26 -0.08 0.00 -2.33 0.00 0.00 43.42 39.95 2a81 n LEU 70 CO 0.34 -1.02 -0.82 -1.54 -1.33 0.00 0.00 177.39 173.01 2a81 n SER 71 N 12.13 2.48 -4.74 -1.43 3.41 -1.26 -4.88 113.62 119.32 2a81 n SER 71 Ca 0.48 0.00 -0.41 0.00 -0.26 0.00 0.00 58.87 58.68 2a81 n SER 71 Cb 0.27 0.79 -0.04 0.00 -0.26 0.00 0.00 64.21 64.98 2a81 n SER 71 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 2a81 s ARG 72 N -2.28 4.60 0.33 4.33 0.52 -1.26 -4.94 118.95 120.25 2a81 s ARG 72 Ca -0.05 1.73 0.08 0.00 -0.52 0.00 0.00 55.73 56.97 2a81 s ARG 72 Cb 0.03 -3.26 0.57 0.00 0.52 0.00 0.00 34.95 32.80 2a81 s ARG 72 CO 0.42 0.10 1.77 0.66 0.02 0.00 0.00 175.30 178.27 2a81 h SER 73 N 4.92 0.22 0.89 0.23 4.64 -2.00 -2.01 113.55 120.44 2a81 h SER 73 Ca -0.45 -0.08 -0.04 0.00 -0.47 0.00 0.00 61.79 60.75 2a81 h SER 73 Cb 1.21 -0.06 0.01 0.00 -0.31 0.00 0.00 62.40 63.25 2a81 h SER 73 CO 0.72 0.55 -0.43 -0.33 -0.87 0.00 0.00 176.83 176.47 2a81 h GLU 74 N 0.19 -1.15 -0.81 4.77 5.08 -1.99 -2.35 114.58 118.32 2a81 h GLU 74 Ca 0.03 0.08 0.19 0.00 -1.00 0.00 0.00 59.36 58.66 2a81 h GLU 74 Cb 0.68 0.26 -0.14 0.00 0.50 0.00 0.00 28.75 30.05 2a81 h GLU 74 CO 0.05 -0.76 0.06 -0.44 -1.00 0.00 0.00 179.01 176.91 2a81 h ASP 75 N -1.27 -0.29 -0.06 1.42 3.32 -1.86 0.32 116.42 118.01 2a81 h ASP 75 Ca -0.12 0.20 0.02 0.00 0.02 0.00 0.00 57.03 57.15 2a81 h ASP 75 Cb 0.92 0.34 -0.02 0.00 0.22 0.00 0.00 39.33 40.80 2a81 h ASP 75 CO 0.20 -0.19 -0.03 0.40 -1.72 0.00 0.00 179.24 177.90 2a81 h ILE 76 N 0.12 0.89 0.44 0.35 2.04 -1.39 -1.84 117.51 118.13 2a81 h ILE 76 Ca 0.46 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 66.30 2a81 h ILE 76 Cb 0.85 0.89 0.00 0.00 -0.74 0.00 0.00 36.82 37.82 2a81 h ILE 76 CO -0.69 0.00 -0.21 -0.33 0.00 0.00 0.00 178.15 176.92 2a81 h GLU 77 N -0.03 -0.57 -0.81 2.37 5.08 0.06 -0.56 114.58 120.12 2a81 h GLU 77 Ca 0.04 0.04 0.05 0.00 -1.00 0.00 0.00 59.36 58.48 2a81 h GLU 77 Cb 0.09 0.13 -0.05 0.00 0.50 0.00 0.00 28.75 29.42 2a81 h GLU 77 CO -0.08 -0.36 0.53 0.93 -1.00 0.00 0.00 179.01 179.03 2a81 h GLU 78 N -0.64 0.91 -0.18 2.33 5.08 -0.75 0.14 114.58 121.47 2a81 h GLU 78 Ca -0.06 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.23 2a81 h GLU 78 Cb 0.48 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 2a81 h GLU 78 CO 0.10 0.60 0.07 2.35 -1.00 0.00 0.00 179.01 181.13 2a81 h TRP 79 N 0.94 0.27 -0.22 4.33 7.01 -1.13 -0.99 115.95 126.15 2a81 h TRP 79 Ca 0.33 -0.02 0.01 0.00 2.11 0.00 0.00 58.89 61.32 2a81 h TRP 79 Cb 0.13 -0.08 -0.01 0.00 -2.10 0.00 0.00 29.16 27.09 2a81 h TRP 79 CO -0.00 0.34 0.13 0.82 -2.79 0.00 0.00 178.44 176.94 2a81 h ILE 80 N 0.13 1.02 -0.65 2.65 2.04 -0.02 -1.23 117.51 121.45 2a81 h ILE 80 Ca 0.06 -0.09 0.09 0.00 1.00 0.00 0.00 64.86 65.92 2a81 h ILE 80 Cb 0.19 0.73 -0.07 0.00 -0.74 0.00 0.00 36.82 36.93 2a81 h ILE 80 CO -0.00 0.05 0.29 0.44 0.00 0.00 0.00 178.15 178.93 2a81 h ASP 81 N 0.27 0.35 0.13 1.72 3.32 -0.68 -1.55 116.42 119.99 2a81 h ASP 81 Ca 0.09 0.07 0.02 0.00 0.02 0.00 0.00 57.03 57.22 2a81 h ASP 81 Cb -0.00 0.01 -0.03 0.00 0.22 0.00 0.00 39.33 39.53 2a81 h ASP 81 CO -0.04 0.21 -0.24 0.03 -1.72 0.00 0.00 179.24 177.47 2a81 h ARG 82 N 0.51 -0.43 -0.27 3.56 3.08 -0.69 -0.93 114.38 119.21 2a81 h ARG 82 Ca 0.32 0.03 0.06 0.00 0.07 0.00 0.00 59.98 60.47 2a81 h ARG 82 Cb 0.36 0.10 -0.07 0.00 0.08 0.00 0.00 29.97 30.44 2a81 h ARG 82 CO -0.28 -0.29 -0.18 0.28 -1.07 0.00 0.00 179.97 178.43 2a81 h VAL 83 N -0.45 0.50 -0.05 2.04 2.07 -0.57 -1.26 116.25 118.53 2a81 h VAL 83 Ca 0.03 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.55 2a81 h VAL 83 Cb 0.47 0.50 -0.00 0.00 -1.52 0.00 0.00 31.29 30.73 2a81 h VAL 83 CO -0.13 0.00 0.03 0.40 0.02 0.00 0.00 177.57 177.89 2a81 h ILE 84 N -0.16 1.08 -0.99 4.57 1.08 -1.18 -2.64 117.51 119.26 2a81 h ILE 84 Ca 0.15 -0.22 0.25 0.00 -0.39 0.00 0.00 64.86 64.65 2a81 h ILE 84 Cb 0.38 1.13 -0.13 0.00 -3.07 0.00 0.00 36.82 35.13 2a81 h ILE 84 CO -0.37 0.06 0.57 0.44 -0.69 0.00 0.00 178.15 178.17 2a81 h ASP 85 N -0.00 0.62 0.05 1.72 3.32 -0.56 0.39 116.42 121.96 2a81 h ASP 85 Ca 0.02 0.14 -0.00 0.00 0.02 0.00 0.00 57.03 57.21 2a81 h ASP 85 Cb 0.08 0.05 0.00 0.00 0.22 0.00 0.00 39.33 39.68 2a81 h ASP 85 CO -0.00 0.07 -0.02 0.25 -1.72 0.00 0.00 179.24 177.81 2a81 h LEU 86 N 0.53 -0.06 -0.64 1.55 6.46 -0.91 0.02 115.31 122.27 2a81 h LEU 86 Ca 0.64 -0.06 -0.06 0.00 -0.12 0.00 0.00 57.88 58.29 2a81 h LEU 86 Cb 1.25 0.01 -0.03 0.00 -0.73 0.00 0.00 40.66 41.17 2a81 h LEU 86 CO -0.50 0.02 0.18 1.88 -0.62 0.00 0.00 178.44 179.41 2a81 h TYR 87 N -0.13 1.05 -0.56 1.25 0.05 -0.38 -2.32 116.97 115.93 2a81 h TYR 87 Ca -0.01 -0.11 0.00 0.00 0.05 0.00 0.00 58.73 58.66 2a81 h TYR 87 Cb 0.11 -0.30 -0.03 0.00 1.01 0.00 0.00 36.73 37.52 2a81 h TYR 87 CO -0.05 0.87 0.37 1.96 -1.05 0.00 0.00 178.16 180.25 2a81 h GLN 88 N 0.93 0.73 -1.04 4.88 1.08 -0.35 -2.36 115.11 118.99 2a81 h GLN 88 Ca 0.20 -0.05 0.26 0.00 -1.45 0.00 0.00 58.65 57.62 2a81 h GLN 88 Cb 0.32 -0.16 -0.11 0.00 -0.05 0.00 0.00 27.48 27.48 2a81 h GLN 88 CO -0.00 0.49 0.65 0.00 -0.95 0.00 0.00 178.83 179.02 2a81 h ALA 89 N 1.20 2.09 -0.01 3.87 0.00 -0.42 0.96 119.26 126.94 2a81 h ALA 89 Ca 0.20 0.09 -0.09 0.00 0.00 0.00 0.00 54.91 55.11 2a81 h ALA 89 Cb -0.08 0.03 0.01 0.00 0.00 0.00 0.00 17.79 17.74 2a81 h ALA 89 CO -0.04 -0.52 -0.33 0.28 0.00 0.00 0.00 179.25 178.63 2a81 h VAL 90 N 0.45 1.50 0.00 0.00 2.07 -1.28 -3.29 116.25 115.70 2a81 h VAL 90 Ca 0.62 -1.93 -0.01 0.00 0.82 0.00 0.00 66.70 66.20 2a81 h VAL 90 Cb 1.44 2.65 -0.00 0.00 -1.52 0.00 0.00 31.29 33.86 2a81 h VAL 90 CO -0.37 0.54 -0.05 -0.07 0.02 0.00 0.00 177.57 177.64 2a81 h LEU 91 N -0.37 0.00 -1.42 2.57 3.38 -0.47 -2.04 115.31 116.96 2a81 h LEU 91 Ca -0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.93 2a81 h LEU 91 Cb 1.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.81 2a81 h LEU 91 CO 0.07 0.05 0.00 0.59 0.09 0.00 0.00 178.44 179.24 2a81 n ASN 92 N -3.86 2.15 -4.63 -0.43 3.02 0.13 -4.80 115.26 106.82 2a81 n ASN 92 Ca -0.03 -1.78 -0.43 0.00 -0.03 0.00 0.00 54.58 52.32 2a81 n ASN 92 Cb 0.14 -0.12 -0.02 0.00 -0.61 0.00 0.00 39.78 39.17 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 -1.75 4.12 -2.00 2.41 1.01 -0.77 -4.90 120.40 118.51 2a81 s VAL 93 Ca 0.34 1.28 0.15 0.00 0.00 0.00 0.00 61.98 63.75 2a81 s VAL 93 Cb 0.19 -4.09 0.44 0.00 0.00 0.00 0.00 36.38 32.91 2a81 s VAL 93 CO 0.28 -0.41 1.53 0.59 0.00 0.00 0.00 175.10 177.09 2a81 n ASN 94 N 7.56 0.00 -4.68 3.32 5.03 -1.26 -4.79 115.26 120.43 2a81 n ASN 94 Ca 0.15 -1.35 -0.24 0.00 0.87 0.00 0.00 54.58 54.00 2a81 n ASN 94 Cb 0.46 0.00 -0.08 0.00 -1.02 0.00 0.00 39.78 39.14 2a81 n ASN 94 CO 0.00 0.00 0.00 -0.54 -1.83 0.00 0.00 177.26 174.89 2a81 s LYS 95 N -2.00 2.17 0.48 3.52 1.02 -1.26 -4.44 119.74 119.23 2a81 s LYS 95 Ca 0.23 -1.76 -0.24 0.00 0.02 0.00 0.00 55.97 54.22 2a81 s LYS 95 Cb 0.11 -1.98 -0.08 0.00 -0.52 0.00 0.00 37.83 35.36 2a81 s LYS 95 CO 0.18 0.04 1.34 -2.30 -0.92 0.00 0.00 175.35 173.69 2a81 n PRO 96 N -1.08 1.94 -3.85 -1.68 -0.02 -1.26 -4.85 135.00 124.19 2a81 n PRO 96 Ca -0.03 0.70 -0.26 0.00 -2.02 0.00 0.00 63.50 61.89 2a81 n PRO 96 Cb 0.63 -2.52 -0.17 0.00 -0.02 0.00 0.00 33.50 31.42 2a81 n PRO 96 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 2a81 s THR 97 N -1.24 0.79 -0.10 3.45 -4.23 -1.26 -1.18 115.64 111.87 2a81 s THR 97 Ca 0.65 -0.17 -0.01 0.00 -1.18 0.00 0.00 61.69 60.98 2a81 s THR 97 Cb -0.46 -0.88 -0.03 0.00 1.34 0.00 0.00 72.50 72.48 2a81 s THR 97 CO 0.55 0.30 -0.06 -0.63 -0.54 0.00 0.00 174.62 174.24 2a81 s ILE 98 N 1.80 3.71 -0.26 2.99 -1.09 0.19 -1.38 121.20 127.15 2a81 s ILE 98 Ca 0.05 -0.46 -0.05 0.00 -2.23 0.00 0.00 60.65 57.96 2a81 s ILE 98 Cb -0.13 -2.55 0.00 0.00 -1.58 0.00 0.00 42.46 38.21 2a81 s ILE 98 CO -0.07 0.56 0.02 0.00 -1.23 0.00 0.00 174.94 174.22 2a81 s ALA 99 N -0.36 2.94 -0.53 9.38 0.00 -0.42 -1.48 121.76 131.29 2a81 s ALA 99 Ca 0.05 -1.35 -0.18 0.00 0.00 0.00 0.00 51.96 50.48 2a81 s ALA 99 Cb -0.12 -1.94 0.08 0.00 0.00 0.00 0.00 23.12 21.14 2a81 s ALA 99 CO 0.02 -0.74 0.61 0.00 0.00 0.00 0.00 175.76 175.65 2a81 s ALA 100 N 1.47 3.44 -0.32 0.00 0.00 -0.42 -2.05 121.76 123.90 2a81 s ALA 100 Ca 0.03 -2.03 -0.11 0.00 0.00 0.00 0.00 51.96 49.85 2a81 s ALA 100 Cb -0.16 -3.36 -0.02 0.00 0.00 0.00 0.00 23.12 19.58 2a81 s ALA 100 CO -0.00 -2.08 0.19 0.08 0.00 0.00 0.00 175.76 173.95 2a81 s VAL 101 N 2.41 5.02 0.32 0.00 1.01 0.00 -3.89 120.40 125.27 2a81 s VAL 101 Ca 0.11 -0.21 0.06 0.00 0.00 0.00 0.00 61.98 61.94 2a81 s VAL 101 Cb -0.23 -3.53 -0.06 0.00 0.00 0.00 0.00 36.38 32.56 2a81 s VAL 101 CO 0.08 0.08 -0.02 -0.62 0.00 0.00 0.00 175.10 174.62 2a81 s ASP 102 N 1.69 2.93 1.70 3.32 -1.08 -1.26 -0.70 116.67 123.27 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 -0.20 0.00 0.00 -1.46 0.00 0.00 42.92 41.09 2a81 s ASP 102 CO 0.09 -0.42 0.00 0.61 0.52 0.00 0.00 175.17 175.97 2a81 n GLY 103 N -0.69 2.64 3.52 2.66 0.00 -1.26 -1.45 105.19 110.61 2a81 n GLY 103 Ca -0.04 -0.27 -0.33 0.00 0.00 0.00 0.00 46.02 45.37 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 2.87 -0.37 1.61 2.02 -1.26 -0.51 117.35 121.71 2a81 s TYR 104 Ca 0.00 -0.13 0.03 0.00 -0.37 0.00 0.00 57.07 56.60 2a81 s TYR 104 Cb 0.00 -1.73 0.11 0.00 -0.40 0.00 0.00 41.96 39.94 2a81 s TYR 104 CO 0.00 0.20 0.10 0.00 -1.57 0.00 0.00 175.55 174.28 2a81 s ALA 105 N -0.55 2.99 -0.10 3.71 0.00 -0.14 -2.30 121.76 125.37 2a81 s ALA 105 Ca 0.08 -2.62 0.01 0.00 0.00 0.00 0.00 51.96 49.43 2a81 s ALA 105 Cb -0.12 -2.06 -0.02 0.00 0.00 0.00 0.00 23.12 20.92 2a81 s ALA 105 CO 0.02 -1.74 -0.13 0.42 0.00 0.00 0.00 175.76 174.32 2a81 s ILE 106 N 0.81 3.11 0.00 0.00 1.01 -0.72 -1.35 121.20 124.06 2a81 s ILE 106 Ca 0.11 -0.67 0.00 0.00 0.00 0.00 0.00 60.65 60.09 2a81 s ILE 106 Cb -0.20 -2.27 0.00 0.00 0.01 0.00 0.00 42.46 40.00 2a81 s ILE 106 CO -0.07 0.55 0.00 0.61 0.00 0.00 0.00 174.94 176.03 2a81 n GLY 107 N 3.04 0.86 0.29 6.18 0.00 0.02 0.02 105.19 115.60 2a81 n GLY 107 Ca -0.18 0.70 0.10 0.00 0.00 0.00 0.00 46.02 46.64 2a81 n GLY 107 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 2a81 h MET 108 N 0.00 0.10 -0.06 1.61 2.86 -1.90 -0.18 114.93 117.35 2a81 h MET 108 Ca 0.00 -0.01 -0.23 0.00 -2.06 0.00 0.00 59.70 57.40 2a81 h MET 108 Cb 0.00 -0.02 0.01 0.00 0.06 0.00 0.00 31.60 31.65 2a81 h MET 108 CO 0.00 0.06 -0.90 0.78 1.06 0.00 0.00 176.91 177.92 2a81 h GLY 109 N 0.10 0.70 0.87 8.32 0.00 -0.60 0.23 103.07 112.69 2a81 h GLY 109 Ca 0.08 -1.11 0.01 0.00 0.00 0.00 0.00 47.33 46.30 2a81 h GLY 109 CO -0.01 0.98 -0.08 -2.75 0.00 0.00 0.00 176.54 174.69 2a81 h PHE 110 N 0.39 -0.20 -0.07 5.60 3.04 -1.42 -2.34 116.94 121.94 2a81 h PHE 110 Ca -0.08 0.00 -0.01 0.00 3.98 0.00 0.00 57.97 61.86 2a81 h PHE 110 Cb 1.53 0.08 -0.00 0.00 2.56 0.00 0.00 35.95 40.12 2a81 h PHE 110 CO 0.08 -0.12 0.01 1.96 -2.02 0.00 0.00 178.31 178.22 2a81 h GLN 111 N -0.16 0.12 -0.72 1.11 4.20 -1.04 -2.35 115.11 116.27 2a81 h GLN 111 Ca 0.01 -0.03 0.15 0.00 0.06 0.00 0.00 58.65 58.84 2a81 h GLN 111 Cb 0.17 -0.01 -0.10 0.00 0.30 0.00 0.00 27.48 27.83 2a81 h GLN 111 CO -0.04 0.32 0.19 0.35 -0.67 0.00 0.00 178.83 178.98 2a81 h PHE 112 N -0.11 0.29 -0.74 2.96 3.57 -1.00 -1.20 116.94 120.72 2a81 h PHE 112 Ca 0.02 0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.56 2a81 h PHE 112 Cb 0.26 -0.02 -0.04 0.00 2.79 0.00 0.00 35.95 38.95 2a81 h PHE 112 CO 0.01 -0.06 0.43 0.00 -2.23 0.00 0.00 178.31 176.46 2a81 h ALA 113 N 1.58 1.37 0.00 2.41 0.00 -1.04 -2.33 119.26 121.25 2a81 h ALA 113 Ca 0.40 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.22 2a81 h ALA 113 Cb 0.66 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.15 2a81 h ALA 113 CO -0.48 0.54 0.00 1.28 0.00 0.00 0.00 179.25 180.59 2a81 n LEU 114 N -4.38 0.41 0.14 0.00 4.77 -0.46 -2.24 117.00 115.25 2a81 n LEU 114 Ca 0.08 0.64 0.13 0.00 -0.03 0.00 0.00 56.01 56.83 2a81 n LEU 114 Cb 0.08 -0.64 0.42 0.00 -2.33 0.00 0.00 43.42 40.95 2a81 n LEU 114 CO 0.37 -0.64 0.88 0.24 -1.33 0.00 0.00 177.39 176.92 2a81 h MET 115 N 0.00 0.00 -7.16 3.23 2.86 -1.35 -3.46 114.93 109.04 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 0.16 0.00 0.04 0.00 0.06 0.00 0.00 31.60 31.86 2a81 h MET 115 CO 0.00 0.00 0.29 -0.06 1.06 0.00 0.00 176.91 178.20 2a81 s PHE 116 N -3.22 3.58 0.19 -0.22 0.40 -0.95 -4.54 117.98 113.21 2a81 s PHE 116 Ca 0.08 1.13 -0.01 0.00 -0.60 0.00 0.00 56.93 57.52 2a81 s PHE 116 Cb 0.10 -2.57 0.10 0.00 0.51 0.00 0.00 43.02 41.16 2a81 s PHE 116 CO 0.55 -0.47 1.47 -0.44 0.70 0.00 0.00 175.22 177.03 2a81 h ASP 117 N 0.12 0.50 -5.14 1.36 3.32 -1.56 -3.46 116.42 111.57 2a81 h ASP 117 Ca -0.46 -0.31 -0.14 0.00 0.02 0.00 0.00 57.03 56.15 2a81 h ASP 117 Cb 1.19 -0.15 -0.17 0.00 0.22 0.00 0.00 39.33 40.42 2a81 h ASP 117 CO 0.62 1.03 -0.69 -1.10 -1.72 0.00 0.00 179.24 177.38 2a81 s GLN 118 N -3.75 0.50 -0.05 3.56 -1.52 -0.90 -5.03 119.66 112.47 2a81 s GLN 118 Ca -0.06 -0.99 -0.01 0.00 -1.95 0.00 0.00 55.36 52.35 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 0.00 175.29 176.84 2a81 s ARG 119 N -2.99 0.26 -0.01 2.91 0.52 -1.26 -1.31 118.95 117.07 2a81 s ARG 119 Ca -0.02 0.22 0.03 0.00 -0.52 0.00 0.00 55.73 55.45 2a81 s ARG 119 Cb 0.01 -0.69 -0.03 0.00 0.52 0.00 0.00 34.95 34.76 2a81 s ARG 119 CO -0.07 -0.29 -0.10 -0.51 0.02 0.00 0.00 175.30 174.36 2a81 s LEU 120 N 1.91 3.02 0.23 2.53 1.43 -0.87 0.61 118.68 127.55 2a81 s LEU 120 Ca 0.03 -0.17 0.09 0.00 -1.03 0.00 0.00 54.13 53.05 2a81 s LEU 120 Cb -0.12 -1.71 -0.05 0.00 0.03 0.00 0.00 46.19 44.34 2a81 s LEU 120 CO -0.04 0.31 -0.15 0.00 0.23 0.00 0.00 176.35 176.70 2a81 s MET 121 N -1.18 1.43 0.53 1.70 0.23 -0.36 -0.82 119.30 120.83 2a81 s MET 121 Ca 0.15 -1.65 -0.19 0.00 -1.03 0.00 0.00 55.69 52.98 2a81 s MET 121 Cb -0.11 -1.29 -0.06 0.00 -1.53 0.00 0.00 34.83 31.84 2a81 s MET 121 CO 0.05 0.21 1.06 0.00 -2.03 0.00 0.00 175.02 174.31 2a81 s ALA 122 N -2.86 2.79 0.52 3.16 0.00 0.12 -1.54 121.76 123.96 2a81 s ALA 122 Ca 0.25 0.57 0.20 0.00 0.00 0.00 0.00 51.96 52.97 2a81 s ALA 122 Cb -0.01 -3.26 1.31 0.00 0.00 0.00 0.00 23.12 21.16 2a81 s ALA 122 CO 0.09 -0.56 2.08 0.66 0.00 0.00 0.00 175.76 178.03 2a81 h SER 123 N 1.11 0.01 -0.12 0.00 4.64 -0.71 -2.43 113.55 116.05 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 1.23 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 2a81 h SER 123 CO 0.58 0.01 0.00 0.35 -0.87 0.00 0.00 176.83 176.90 2a81 n THR 124 N -4.47 0.14 -2.32 2.95 -2.24 -1.26 -4.34 114.28 102.74 2a81 n THR 124 Ca 0.03 -0.38 -0.25 0.00 -2.27 0.00 0.00 64.05 61.18 2a81 n THR 124 Cb 0.31 0.64 0.08 0.00 -2.10 0.00 0.00 70.33 69.26 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 -1.86 3.30 -0.06 6.98 0.00 -0.92 -4.75 121.76 124.45 2a81 s ALA 125 Ca 0.35 -1.18 -0.04 0.00 0.00 0.00 0.00 51.96 51.08 2a81 s ALA 125 Cb 0.20 -2.41 0.02 0.00 0.00 0.00 0.00 23.12 20.93 2a81 s ALA 125 CO 0.30 -1.35 0.15 -0.80 0.00 0.00 0.00 175.76 174.06 2a81 s ASN 126 N -4.58 -0.14 -0.10 0.00 -0.87 0.34 -3.92 114.94 105.67 2a81 s ASN 126 Ca 0.62 0.30 -0.06 0.00 -1.57 0.00 0.00 52.86 52.16 2a81 s ASN 126 Cb -0.09 0.26 -0.04 0.00 -0.02 0.00 0.00 41.25 41.37 2a81 s ASN 126 CO 0.44 -0.09 0.13 -0.36 -2.57 0.00 0.00 177.10 174.66 2a81 s PHE 127 N 0.47 3.54 -0.07 2.20 0.40 0.29 -0.96 117.98 123.85 2a81 s PHE 127 Ca -0.03 0.46 -0.09 0.00 -0.60 0.00 0.00 56.93 56.67 2a81 s PHE 127 Cb -0.05 -1.90 0.02 0.00 0.51 0.00 0.00 43.02 41.60 2a81 s PHE 127 CO -0.02 0.69 0.23 0.08 0.70 0.00 0.00 175.22 176.91 2a81 s VAL 128 N -1.06 0.02 -0.50 -0.44 1.01 -0.45 -0.51 120.40 118.46 2a81 s VAL 128 Ca 0.17 -0.15 0.07 0.00 0.00 0.00 0.00 61.98 62.07 2a81 s VAL 128 Cb -0.12 -0.39 0.26 0.00 0.00 0.00 0.00 36.38 36.13 2a81 s VAL 128 CO 0.06 -0.08 0.64 0.80 0.00 0.00 0.00 175.10 176.51 2a81 n MET 129 N 2.54 1.55 -0.61 2.72 1.56 -1.26 -0.80 117.12 122.82 2a81 n MET 129 Ca -0.15 -3.88 0.04 0.00 -0.27 0.00 0.00 57.70 53.44 2a81 n MET 129 Cb 0.58 -1.69 0.26 0.00 2.15 0.00 0.00 33.22 34.52 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 1.08 3.53 -0.08 2.12 -0.04 -1.26 -4.64 135.00 135.71 2a81 n PRO 130 Ca 0.25 -2.10 -0.07 0.00 -0.04 0.00 0.00 63.50 61.54 2a81 n PRO 130 Cb 0.48 -2.01 -0.00 0.00 -0.04 0.00 0.00 33.50 31.93 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 2.57 -0.14 -0.22 0.54 3.07 -1.90 -2.56 114.58 115.94 2a81 h GLU 131 Ca 0.02 0.01 -0.09 0.00 -0.50 0.00 0.00 59.36 58.80 2a81 h GLU 131 Cb 1.53 0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 29.46 2a81 h GLU 131 CO 0.35 -0.09 -0.24 -0.07 -1.40 0.00 0.00 179.01 177.56 2a81 h LEU 132 N -0.14 0.41 -0.85 1.33 3.38 -1.82 0.11 115.31 117.73 2a81 h LEU 132 Ca 0.16 -0.13 0.11 0.00 0.09 0.00 0.00 57.88 58.11 2a81 h LEU 132 Cb 0.39 -0.11 -0.08 0.00 0.09 0.00 0.00 40.66 40.95 2a81 h LEU 132 CO -0.40 0.66 0.48 0.50 0.09 0.00 0.00 178.44 179.77 2a81 h LYS 133 N 0.37 0.75 -0.61 1.13 3.64 -1.80 -2.59 116.57 117.46 2a81 h LYS 133 Ca 0.06 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 2a81 h LYS 133 Cb 0.63 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 32.28 2a81 h LYS 133 CO 0.04 0.50 0.00 0.72 -2.27 0.00 0.00 179.45 178.44 2a81 n HIS 134 N -4.76 0.81 -1.52 1.91 8.25 -0.54 -4.94 115.22 114.43 2a81 n HIS 134 Ca 0.15 -0.41 -0.06 0.00 -0.26 0.00 0.00 57.72 57.14 2a81 n HIS 134 Cb 0.32 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.42 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 0.58 3.86 -1.41 0.00 -0.40 -5.03 105.19 104.29 2a81 n GLY 135 Ca 0.21 -0.72 -0.35 0.00 0.00 0.00 0.00 46.02 45.15 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 -2.26 5.28 0.82 -0.61 -1.09 0.24 -4.98 121.20 118.60 2a81 s ILE 136 Ca 0.00 0.01 -0.10 0.00 -2.23 0.00 0.00 60.65 58.32 2a81 s ILE 136 Cb 0.00 -3.35 0.08 0.00 -1.58 0.00 0.00 42.46 37.62 2a81 s ILE 136 CO 0.00 0.52 1.11 -0.83 -1.23 0.00 0.00 174.94 174.50 2a81 s GLY 137 N -1.31 1.68 0.00 6.18 0.00 -1.26 -3.32 107.32 109.28 2a81 s GLY 137 Ca 0.19 0.34 0.10 0.00 0.00 0.00 0.00 44.72 45.35 2a81 s GLY 137 CO 0.08 0.71 1.00 0.00 0.00 0.00 0.00 173.10 174.90 2a81 h SER 139 N 0.40 0.52 0.06 0.00 4.64 -1.96 -1.43 113.55 115.77 2a81 h SER 139 Ca -0.20 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.13 2a81 h SER 139 Cb 1.55 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 63.54 2a81 h SER 139 CO -0.01 0.36 -0.03 0.58 -0.87 0.00 0.00 176.83 176.86 2a81 h VAL 140 N 0.63 1.10 -0.12 0.95 2.07 -1.92 1.00 116.25 119.96 2a81 h VAL 140 Ca 0.21 -0.52 0.04 0.00 0.82 0.00 0.00 66.70 67.25 2a81 h VAL 140 Cb 0.02 1.44 -0.04 0.00 -1.52 0.00 0.00 31.29 31.19 2a81 h VAL 140 CO -0.09 0.13 -0.12 1.23 0.02 0.00 0.00 177.57 178.74 2a81 h GLY 141 N -0.31 -0.04 0.99 2.17 0.00 -1.91 -1.96 103.07 102.02 2a81 h GLY 141 Ca -0.01 0.15 0.00 0.00 0.00 0.00 0.00 47.33 47.47 2a81 h GLY 141 CO 0.01 -0.13 0.16 0.00 0.00 0.00 0.00 176.54 176.59 2a81 h ALA 142 N 0.93 0.32 -0.42 3.60 0.00 -1.14 -0.72 119.26 121.82 2a81 h ALA 142 Ca 0.08 -0.02 0.08 0.00 0.00 0.00 0.00 54.91 55.05 2a81 h ALA 142 Cb 0.27 -0.10 -0.08 0.00 0.00 0.00 0.00 17.79 17.87 2a81 h ALA 142 CO -0.21 -0.20 -0.11 0.00 0.00 0.00 0.00 179.25 178.74 2a81 h ALA 143 N 1.08 0.27 0.71 0.00 0.00 -0.60 0.25 119.26 120.97 2a81 h ALA 143 Ca 0.09 0.16 -0.03 0.00 0.00 0.00 0.00 54.91 55.13 2a81 h ALA 143 Cb -0.02 0.33 0.01 0.00 0.00 0.00 0.00 17.79 18.10 2a81 h ALA 143 CO -0.02 -0.45 -0.34 0.82 0.00 0.00 0.00 179.25 179.26 2a81 h ILE 144 N -0.01 0.29 -0.54 0.00 2.04 -1.19 -2.53 117.51 115.58 2a81 h ILE 144 Ca 0.20 -0.04 -0.06 0.00 1.00 0.00 0.00 64.86 65.96 2a81 h ILE 144 Cb 0.32 0.31 -0.02 0.00 -0.74 0.00 0.00 36.82 36.68 2a81 h ILE 144 CO -0.44 0.01 0.08 0.25 0.00 0.00 0.00 178.15 178.05 2a81 h LEU 145 N -0.98 0.81 -0.99 1.44 5.85 -0.76 0.53 115.31 121.20 2a81 h LEU 145 Ca -0.10 -0.17 0.06 0.00 0.84 0.00 0.00 57.88 58.51 2a81 h LEU 145 Cb 0.74 -0.21 -0.06 0.00 0.37 0.00 0.00 40.66 41.49 2a81 h LEU 145 CO 0.16 0.82 0.64 1.23 -0.34 0.00 0.00 178.44 180.96 2a81 h GLY 146 N 0.99 1.50 1.01 3.75 0.00 -0.54 -0.25 103.07 109.53 2a81 h GLY 146 Ca 0.17 -0.48 -0.17 0.00 0.00 0.00 0.00 47.33 46.85 2a81 h GLY 146 CO 0.01 0.36 -0.56 -2.75 0.00 0.00 0.00 176.54 173.59 2a81 h PHE 147 N 1.19 0.88 0.08 5.60 3.04 -0.51 -1.20 116.94 126.02 2a81 h PHE 147 Ca 0.42 -0.36 -0.25 0.00 3.98 0.00 0.00 57.97 61.76 2a81 h PHE 147 Cb 0.12 -0.15 -0.01 0.00 2.56 0.00 0.00 35.95 38.48 2a81 h PHE 147 CO -0.00 1.16 -1.15 1.79 -2.02 0.00 0.00 178.31 178.08 2a81 h THR 148 N 0.35 1.58 0.00 4.41 1.35 -1.09 -3.40 112.91 116.11 2a81 h THR 148 Ca -0.02 -3.20 0.00 0.00 -0.55 0.00 0.00 66.41 62.63 2a81 h THR 148 Cb 1.19 2.91 0.00 0.00 -1.73 0.00 0.00 68.15 70.52 2a81 h THR 148 CO 0.12 0.93 0.00 1.41 -0.25 0.00 0.00 175.52 177.73 2a81 n HIS 149 N -3.47 0.00 0.00 4.73 8.25 -0.11 -5.09 115.22 119.53 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 0.99 -0.00 0.00 0.00 1.12 0.00 0.00 29.99 32.10 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 2.20 0.38 -1.41 0.00 -0.45 -4.54 105.19 101.32 2a81 n GLY 150 Ca 0.00 -1.86 -0.17 0.00 0.00 0.00 0.00 46.02 43.99 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 -0.86 -0.03 1.61 3.57 -1.88 -2.63 116.94 116.72 2a81 h PHE 151 Ca 0.00 -0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.41 2a81 h PHE 151 Cb 0.00 0.29 -0.01 0.00 2.79 0.00 0.00 35.95 39.01 2a81 h PHE 151 CO 0.00 -0.51 -0.32 0.66 -2.23 0.00 0.00 178.31 175.92 2a81 h SER 152 N -1.07 0.06 -0.23 0.41 4.64 -1.95 0.36 113.55 115.76 2a81 h SER 152 Ca -0.10 -0.02 -0.05 0.00 -0.47 0.00 0.00 61.79 61.15 2a81 h SER 152 Cb 0.74 -0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 62.81 2a81 h SER 152 CO 0.16 0.38 -0.06 0.74 -0.87 0.00 0.00 176.83 177.17 2a81 h THR 153 N 0.05 1.29 -0.12 2.95 2.02 -1.79 -2.44 112.91 114.86 2a81 h THR 153 Ca 0.01 -1.06 0.02 0.00 0.77 0.00 0.00 66.41 66.14 2a81 h THR 153 Cb 0.59 1.51 -0.02 0.00 -1.74 0.00 0.00 68.15 68.49 2a81 h THR 153 CO 0.04 0.33 0.02 -0.03 0.37 0.00 0.00 175.52 176.25 2a81 h MET 154 N 0.18 0.06 -0.50 6.66 -1.53 -1.03 -2.21 114.93 116.58 2a81 h MET 154 Ca 0.06 -0.00 0.09 0.00 -3.44 0.00 0.00 59.70 56.40 2a81 h MET 154 Cb 0.52 -0.01 -0.10 0.00 -0.55 0.00 0.00 31.60 31.46 2a81 h MET 154 CO 0.02 0.04 -0.38 1.96 0.14 0.00 0.00 176.91 178.70 2a81 h GLN 155 N 0.07 -0.23 -0.18 0.39 4.20 -0.90 -1.09 115.11 117.37 2a81 h GLN 155 Ca 0.05 0.02 0.04 0.00 0.06 0.00 0.00 58.65 58.82 2a81 h GLN 155 Cb 0.05 0.05 -0.04 0.00 0.30 0.00 0.00 27.48 27.84 2a81 h GLN 155 CO -0.08 -0.15 -0.06 1.49 -0.67 0.00 0.00 178.83 179.36 2a81 h GLU 156 N -0.24 -0.02 0.93 1.46 4.81 -1.24 -1.64 114.58 118.64 2a81 h GLU 156 Ca 0.18 0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.37 2a81 h GLU 156 Cb 0.56 0.01 0.01 0.00 0.63 0.00 0.00 28.75 29.95 2a81 h GLU 156 CO -0.62 -0.02 -0.45 0.82 -0.73 0.00 0.00 179.01 178.01 2a81 h ILE 157 N -0.03 0.00 -0.16 2.32 2.04 -0.77 -1.01 117.51 119.91 2a81 h ILE 157 Ca 0.09 -0.05 -0.05 0.00 1.00 0.00 0.00 64.86 65.85 2a81 h ILE 157 Cb 0.16 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.23 2a81 h ILE 157 CO -0.20 0.00 -0.11 0.16 0.00 0.00 0.00 178.15 178.00 2a81 h ILE 158 N -1.30 1.17 0.00 -0.67 3.07 -1.20 -1.35 117.51 117.22 2a81 h ILE 158 Ca -0.13 -0.72 -0.20 0.00 1.55 0.00 0.00 64.86 65.36 2a81 h ILE 158 Cb 0.96 1.17 -0.03 0.00 -0.27 0.00 0.00 36.82 38.65 2a81 h ILE 158 CO 0.21 0.23 -1.07 1.88 -1.05 0.00 0.00 178.15 178.35 2a81 h TYR 159 N 0.23 0.00 0.00 0.16 0.05 -1.28 -3.32 116.97 112.80 2a81 h TYR 159 Ca 0.05 0.00 -0.23 0.00 0.05 0.00 0.00 58.73 58.60 2a81 h TYR 159 Cb 0.34 0.00 -0.04 0.00 1.01 0.00 0.00 36.73 38.04 2a81 h TYR 159 CO 0.01 0.87 -1.21 1.96 -1.05 0.00 0.00 178.16 178.74 2a81 h GLN 160 N 0.00 0.00 -6.32 4.88 4.20 -0.98 -3.49 115.11 113.40 2a81 h GLN 160 Ca -0.07 0.00 -0.46 0.00 0.06 0.00 0.00 58.65 58.18 2a81 h GLN 160 Cb 1.73 0.00 0.02 0.00 0.30 0.00 0.00 27.48 29.53 2a81 h GLN 160 CO 0.10 0.85 -0.89 0.00 -0.67 0.00 0.00 178.83 178.22 2a81 s GLN 162 N -6.23 2.94 -0.46 0.00 -0.21 -1.26 -4.86 119.66 109.59 2a81 s GLN 162 Ca 0.16 -1.10 -0.25 0.00 0.02 0.00 0.00 55.36 54.19 2a81 s GLN 162 Cb -0.06 -2.61 0.03 0.00 1.00 0.00 0.00 33.01 31.37 2a81 s GLN 162 CO 0.86 0.23 0.87 0.45 -2.12 0.00 0.00 175.29 175.59 2a81 s SER 163 N -3.97 6.47 -0.46 5.90 0.15 -1.26 -4.40 113.70 116.12 2a81 s SER 163 Ca 0.38 0.04 -0.22 0.00 0.70 0.00 0.00 55.95 56.85 2a81 s SER 163 Cb -0.07 -2.43 0.03 0.00 -1.71 0.00 0.00 66.02 61.84 2a81 s SER 163 CO 0.27 -1.00 0.72 -0.76 1.20 0.00 0.00 173.24 173.67 2a81 s LEU 164 N 3.58 4.43 0.00 3.45 1.43 0.33 -4.94 118.68 126.96 2a81 s LEU 164 Ca 0.34 -0.32 -0.13 0.00 -1.03 0.00 0.00 54.13 53.00 2a81 s LEU 164 Cb -0.11 -2.79 0.18 0.00 0.03 0.00 0.00 46.19 43.50 2a81 s LEU 164 CO 0.25 -0.88 0.88 -0.90 0.23 0.00 0.00 176.35 175.93 2a81 n ASP 165 N 6.52 -0.57 0.11 2.29 5.75 -1.26 -0.55 116.55 128.83 2a81 n ASP 165 Ca -0.00 -1.21 -0.13 0.00 -0.01 0.00 0.00 54.79 53.43 2a81 n ASP 165 Cb 0.48 -0.72 -0.08 0.00 -1.03 0.00 0.00 41.12 39.77 2a81 n ASP 165 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2a81 h ALA 166 N -2.09 -0.22 -1.05 2.12 0.00 -1.76 -1.98 119.26 114.28 2a81 h ALA 166 Ca -0.30 -0.11 0.29 0.00 0.00 0.00 0.00 54.91 54.79 2a81 h ALA 166 Cb 0.85 0.09 -0.12 0.00 0.00 0.00 0.00 17.79 18.61 2a81 h ALA 166 CO 0.21 -0.55 0.65 -1.35 0.00 0.00 0.00 179.25 178.20 2a81 h PRO 167 N -0.37 0.39 -0.18 0.00 0.11 -1.95 0.43 132.00 130.43 2a81 h PRO 167 Ca -0.02 -0.02 -0.21 0.00 0.11 0.00 0.00 66.00 65.86 2a81 h PRO 167 Cb 0.29 -0.09 0.01 0.00 0.11 0.00 0.00 31.00 31.32 2a81 h PRO 167 CO 0.04 0.26 -0.70 -0.09 -0.21 0.00 0.00 178.00 177.29 2a81 h ARG 168 N 0.40 0.77 -0.49 1.05 9.65 -1.85 -2.14 114.38 121.77 2a81 h ARG 168 Ca 0.67 -0.58 -0.10 0.00 -1.10 0.00 0.00 59.98 58.87 2a81 h ARG 168 Cb 1.58 0.11 -0.02 0.00 -1.39 0.00 0.00 29.97 30.25 2a81 h ARG 168 CO -0.43 1.20 -0.09 0.00 2.80 0.00 0.00 179.97 183.45 2a81 h VAL 170 N 0.80 1.15 -0.96 0.00 2.07 -1.00 0.19 116.25 118.50 2a81 h VAL 170 Ca 0.13 -0.44 0.11 0.00 0.82 0.00 0.00 66.70 67.33 2a81 h VAL 170 Cb 0.60 1.13 -0.08 0.00 -1.52 0.00 0.00 31.29 31.42 2a81 h VAL 170 CO 0.04 0.14 0.61 -0.78 0.02 0.00 0.00 177.57 177.60 2a81 h ASP 171 N 0.13 0.86 1.04 0.57 3.58 -1.15 -0.18 116.42 121.27 2a81 h ASP 171 Ca 0.06 0.04 0.00 0.00 0.42 0.00 0.00 57.03 57.54 2a81 h ASP 171 Cb 0.16 -0.14 0.00 0.00 1.72 0.00 0.00 39.33 41.07 2a81 h ASP 171 CO -0.01 0.48 -0.03 -1.22 -2.88 0.00 0.00 179.24 175.59 2a81 n TYR 172 N -4.57 0.12 -3.55 0.28 4.01 -0.25 -4.94 117.16 108.27 2a81 n TYR 172 Ca 0.17 0.04 -0.22 0.00 -0.16 0.00 0.00 57.90 57.73 2a81 n TYR 172 Cb 0.34 -0.55 0.08 0.00 -0.31 0.00 0.00 39.34 38.91 2a81 n TYR 172 CO 0.00 0.00 0.00 2.89 -0.46 0.00 0.00 176.86 179.29 2a81 n ARG 173 N -1.60 -7.61 0.17 -0.72 1.85 -0.02 -4.93 116.66 103.80 2a81 n ARG 173 Ca 0.07 0.83 0.12 0.00 -1.00 0.00 0.00 57.85 57.87 2a81 n ARG 173 Cb 0.35 -5.87 0.15 0.00 -1.05 0.00 0.00 32.46 26.05 2a81 n ARG 173 CO 0.00 0.00 0.00 -0.07 -0.01 0.00 0.00 177.63 177.55 2a81 h LEU 174 N -2.49 0.00 -8.51 2.89 3.38 -0.98 -3.47 115.31 106.13 2a81 h LEU 174 Ca -0.57 -0.01 -0.25 0.00 0.09 0.00 0.00 57.88 57.14 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 0.54 0.01 -0.69 0.68 0.09 0.00 0.00 178.44 179.06 2a81 s VAL 175 N -3.24 0.75 -0.52 1.22 -7.23 -1.26 -4.84 120.40 105.29 2a81 s VAL 175 Ca 0.05 -1.96 0.22 0.00 -1.81 0.00 0.00 61.98 58.49 2a81 s VAL 175 Cb 0.07 -1.78 -0.17 0.00 0.56 0.00 0.00 36.38 35.06 2a81 s VAL 175 CO 0.70 -0.79 0.90 0.59 -0.31 0.00 0.00 175.10 176.19 2a81 n ASN 176 N -0.10 0.56 -3.51 4.85 4.13 0.20 -4.86 115.26 116.52 2a81 n ASN 176 Ca -0.11 -0.24 -0.18 0.00 1.68 0.00 0.00 54.58 55.74 2a81 n ASN 176 Cb 0.61 1.04 -0.06 0.00 -1.54 0.00 0.00 39.78 39.84 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 -3.25 1.07 -0.09 3.52 0.74 -1.18 -5.01 119.66 115.46 2a81 s GLN 177 Ca 0.02 0.21 0.01 0.00 0.05 0.00 0.00 55.36 55.65 2a81 s GLN 177 Cb 0.14 0.50 0.02 0.00 1.10 0.00 0.00 33.01 34.77 2a81 s GLN 177 CO 0.83 -0.34 -0.12 0.08 -0.55 0.00 0.00 175.29 175.19 2a81 s VAL 178 N -1.35 1.24 0.31 1.34 1.01 -1.26 -1.23 120.40 120.47 2a81 s VAL 178 Ca -0.10 -0.49 0.04 0.00 0.00 0.00 0.00 61.98 61.43 2a81 s VAL 178 Cb -0.00 -1.16 -0.03 0.00 0.00 0.00 0.00 36.38 35.18 2a81 s VAL 178 CO 0.09 0.39 0.21 0.68 0.00 0.00 0.00 175.10 176.46 2a81 s VAL 179 N 1.04 0.14 0.56 2.92 -7.23 -0.59 -4.87 120.40 112.37 2a81 s VAL 179 Ca -0.07 -2.00 -0.20 0.00 -1.81 0.00 0.00 61.98 57.90 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 -0.01 0.00 1.22 -1.61 -0.31 0.00 0.00 175.10 174.39 2a81 s GLU 180 N -3.70 3.17 0.22 4.82 0.41 -1.26 0.04 118.70 122.39 2a81 s GLU 180 Ca 0.38 1.87 -0.08 0.00 -0.41 0.00 0.00 54.97 56.72 2a81 s GLU 180 Cb 0.04 -2.07 0.32 0.00 -1.78 0.00 0.00 34.13 30.64 2a81 s GLU 180 CO 0.21 -1.06 1.73 0.77 -0.49 0.00 0.00 175.26 176.42 2a81 h SER 181 N 1.21 0.17 -0.66 -0.19 0.02 -1.94 -0.48 113.55 111.68 2a81 h SER 181 Ca -0.50 0.10 0.05 0.00 -0.84 0.00 0.00 61.79 60.59 2a81 h SER 181 Cb 1.29 0.09 -0.04 0.00 0.14 0.00 0.00 62.40 63.88 2a81 h SER 181 CO 0.56 0.09 0.43 0.77 -1.14 0.00 0.00 176.83 177.55 2a81 h SER 182 N 0.37 0.62 1.17 3.07 4.64 -2.03 -2.74 113.55 118.64 2a81 h SER 182 Ca 0.33 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.65 2a81 h SER 182 Cb 0.46 -0.14 0.00 0.00 -0.31 0.00 0.00 62.40 62.42 2a81 h SER 182 CO -0.36 0.42 -0.48 0.00 -0.87 0.00 0.00 176.83 175.54 2a81 h ALA 183 N 1.63 0.71 -0.18 5.18 0.00 -1.49 -3.42 119.26 121.69 2a81 h ALA 183 Ca 0.27 0.00 0.02 0.00 0.00 0.00 0.00 54.91 55.21 2a81 h ALA 183 Cb 0.18 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 2a81 h ALA 183 CO -0.08 0.00 0.03 1.25 0.00 0.00 0.00 179.25 180.45 2a81 h LEU 184 N 0.00 -0.00 -0.06 0.00 5.85 -0.94 -2.17 115.31 117.98 2a81 h LEU 184 Ca 0.00 0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.74 2a81 h LEU 184 Cb 0.82 0.04 -0.00 0.00 0.37 0.00 0.00 40.66 41.89 2a81 h LEU 184 CO 0.00 0.02 0.02 0.25 -0.34 0.00 0.00 178.44 178.39 2a81 h LEU 185 N 0.10 0.09 -0.70 2.25 5.85 -1.81 -1.48 115.31 119.62 2a81 h LEU 185 Ca 0.08 -0.23 0.09 0.00 0.84 0.00 0.00 57.88 58.66 2a81 h LEU 185 Cb 0.08 -0.02 -0.07 0.00 0.37 0.00 0.00 40.66 41.02 2a81 h LEU 185 CO -0.11 0.30 0.35 0.44 -0.34 0.00 0.00 178.44 179.08 2a81 h ASP 186 N -0.12 0.47 -0.67 1.25 5.19 -1.85 -0.73 116.42 119.97 2a81 h ASP 186 Ca 0.02 0.05 0.08 0.00 -0.62 0.00 0.00 57.03 56.56 2a81 h ASP 186 Cb 0.24 -0.03 -0.06 0.00 0.18 0.00 0.00 39.33 39.66 2a81 h ASP 186 CO 0.00 0.28 0.34 0.00 -3.12 0.00 0.00 179.24 176.74 2a81 h ALA 187 N 1.41 0.91 -0.21 3.45 0.00 -1.08 -1.32 119.26 122.42 2a81 h ALA 187 Ca 0.34 0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.26 2a81 h ALA 187 Cb 0.33 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 2a81 h ALA 187 CO -0.25 -0.03 0.02 0.00 0.00 0.00 0.00 179.25 178.99 2a81 h ALA 188 N 1.39 0.27 -0.89 0.00 0.00 -0.39 -2.52 119.26 117.11 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 0.28 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 17.94 2a81 h ALA 188 CO -0.23 -0.04 0.58 0.82 0.00 0.00 0.00 179.25 180.38 2a81 h ILE 189 N 0.13 1.07 -0.01 0.00 2.04 -0.93 -1.14 117.51 118.67 2a81 h ILE 189 Ca 0.06 -0.35 -0.00 0.00 1.00 0.00 0.00 64.86 65.57 2a81 h ILE 189 Cb 0.34 -0.03 -0.00 0.00 -0.74 0.00 0.00 36.82 36.39 2a81 h ILE 189 CO 0.01 0.19 0.00 0.74 0.00 0.00 0.00 178.15 179.08 2a81 h THR 190 N 1.01 1.18 -0.89 -0.27 2.02 -1.05 0.68 112.91 115.59 2a81 h THR 190 Ca 0.38 -0.52 0.18 0.00 0.77 0.00 0.00 66.41 67.22 2a81 h THR 190 Cb 0.19 1.51 -0.11 0.00 -1.74 0.00 0.00 68.15 68.00 2a81 h THR 190 CO -0.14 0.14 0.46 1.56 0.37 0.00 0.00 175.52 177.91 2a81 h GLN 191 N -0.20 0.56 -0.49 6.66 1.08 -1.15 -0.27 115.11 121.30 2a81 h GLN 191 Ca 0.00 -0.03 -0.07 0.00 -1.45 0.00 0.00 58.65 57.10 2a81 h GLN 191 Cb 0.22 -0.13 -0.02 0.00 -0.05 0.00 0.00 27.48 27.51 2a81 h GLN 191 CO -0.00 0.37 0.05 0.00 -0.95 0.00 0.00 178.83 178.31 2a81 h ALA 192 N 1.62 0.66 -0.82 3.87 0.00 -0.66 -1.75 119.26 122.18 2a81 h ALA 192 Ca 0.52 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 55.16 2a81 h ALA 192 Cb 0.84 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.41 2a81 h ALA 192 CO -0.42 0.42 0.45 0.45 0.00 0.00 0.00 179.25 180.15 2a81 h HIS 193 N 0.71 1.12 0.41 0.00 3.86 -0.00 0.85 115.15 122.09 2a81 h HIS 193 Ca 0.15 -0.02 -0.02 0.00 -1.16 0.00 0.00 60.37 59.31 2a81 h HIS 193 Cb 0.44 -0.36 0.00 0.00 1.06 0.00 0.00 27.41 28.55 2a81 h HIS 193 CO 0.03 0.78 -0.20 0.28 0.86 0.00 0.00 177.93 179.68 2a81 h VAL 194 N 1.15 0.60 -0.10 2.45 2.07 -0.90 -2.18 116.25 119.35 2a81 h VAL 194 Ca 0.29 -0.13 -0.08 0.00 0.82 0.00 0.00 66.70 67.60 2a81 h VAL 194 Cb 0.02 0.66 -0.01 0.00 -1.52 0.00 0.00 31.29 30.44 2a81 h VAL 194 CO -0.05 0.03 -0.31 0.24 0.02 0.00 0.00 177.57 177.50 2a81 h MET 195 N -0.63 0.18 0.00 1.57 2.86 -1.26 -2.54 114.93 115.11 2a81 h MET 195 Ca -0.06 -0.07 -0.03 0.00 -2.06 0.00 0.00 59.70 57.48 2a81 h MET 195 Cb 0.47 -0.01 -0.00 0.00 0.06 0.00 0.00 31.60 32.11 2a81 h MET 195 CO 0.09 0.48 -0.16 0.00 1.06 0.00 0.00 176.91 178.38 2a81 h ALA 196 N 1.53 1.43 0.00 6.32 0.00 -0.70 -2.41 119.26 125.43 2a81 h ALA 196 Ca 0.02 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.79 2a81 h ALA 196 Cb 0.63 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.40 2a81 h ALA 196 CO 0.05 0.20 0.00 -1.13 0.00 0.00 0.00 179.25 178.37 2a81 n SER 197 N -3.91 0.09 -4.74 0.00 3.41 -0.83 -4.77 113.62 102.87 2a81 n SER 197 Ca -0.02 0.51 -0.41 0.00 -0.26 0.00 0.00 58.87 58.69 2a81 n SER 197 Cb 0.25 -0.53 -0.03 0.00 -0.26 0.00 0.00 64.21 63.64 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 -3.01 3.39 0.02 7.33 2.02 -0.91 -4.97 117.35 121.21 2a81 s TYR 198 Ca 0.13 1.39 -0.39 0.00 -0.37 0.00 0.00 57.07 57.83 2a81 s TYR 198 Cb 0.17 -3.46 -0.18 0.00 -0.40 0.00 0.00 41.96 38.08 2a81 s TYR 198 CO 0.50 -1.33 1.24 -2.30 -1.57 0.00 0.00 175.55 172.09 2a81 n PRO 199 N 2.53 0.60 -0.13 -1.71 -0.02 -1.26 -4.85 135.00 130.16 2a81 n PRO 199 Ca 0.05 0.22 -0.10 0.00 -2.02 0.00 0.00 63.50 61.64 2a81 n PRO 199 Cb 0.44 -1.79 -0.02 0.00 -0.02 0.00 0.00 33.50 32.11 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 3.98 0.49 0.10 3.55 0.00 -1.93 -1.35 119.26 124.09 2a81 h ALA 200 Ca -0.49 -0.21 0.01 0.00 0.00 0.00 0.00 54.91 54.21 2a81 h ALA 200 Cb 1.38 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 19.00 2a81 h ALA 200 CO 0.73 0.20 -0.36 0.77 0.00 0.00 0.00 179.25 180.60 2a81 h SER 201 N 0.45 -1.07 -0.64 0.00 0.02 -1.99 0.22 113.55 110.55 2a81 h SER 201 Ca 0.11 0.11 0.13 0.00 -0.84 0.00 0.00 61.79 61.31 2a81 h SER 201 Cb 0.37 0.39 -0.11 0.00 0.14 0.00 0.00 62.40 63.19 2a81 h SER 201 CO 0.01 -0.38 -0.04 0.00 -1.14 0.00 0.00 176.83 175.28 2a81 h ALA 202 N -0.90 0.58 0.44 3.77 0.00 -1.92 -2.44 119.26 118.80 2a81 h ALA 202 Ca -0.01 0.21 -0.02 0.00 0.00 0.00 0.00 54.91 55.09 2a81 h ALA 202 Cb 0.52 0.38 0.00 0.00 0.00 0.00 0.00 17.79 18.69 2a81 h ALA 202 CO -0.18 -0.41 -0.21 0.35 0.00 0.00 0.00 179.25 178.80 2a81 h PHE 203 N 0.08 -0.55 -0.57 0.00 3.57 -1.00 -2.92 116.94 115.55 2a81 h PHE 203 Ca 0.33 -0.01 0.11 0.00 3.53 0.00 0.00 57.97 61.93 2a81 h PHE 203 Cb 0.54 0.18 -0.09 0.00 2.79 0.00 0.00 35.95 39.37 2a81 h PHE 203 CO -0.41 -0.24 0.06 0.82 -2.23 0.00 0.00 178.31 176.31 2a81 h ILE 204 N -1.03 0.60 -0.21 1.41 2.04 -0.28 0.24 117.51 120.28 2a81 h ILE 204 Ca -0.06 -0.06 -0.11 0.00 1.00 0.00 0.00 64.86 65.62 2a81 h ILE 204 Cb 0.56 0.40 -0.01 0.00 -0.74 0.00 0.00 36.82 37.03 2a81 h ILE 204 CO 0.10 0.03 -0.35 0.78 0.00 0.00 0.00 178.15 178.72 2a81 h ASN 205 N 0.18 0.46 0.06 1.72 4.21 -1.55 -1.79 115.58 118.88 2a81 h ASN 205 Ca 0.30 -0.18 -0.00 0.00 1.21 0.00 0.00 56.30 57.62 2a81 h ASN 205 Cb 0.45 -0.13 0.00 0.00 -1.12 0.00 0.00 38.32 37.52 2a81 h ASN 205 CO -0.43 0.78 -0.03 0.74 -1.29 0.00 0.00 177.43 177.20 2a81 h THR 206 N 0.38 1.19 -0.87 2.81 2.02 -0.92 -2.65 112.91 114.87 2a81 h THR 206 Ca 0.04 -0.92 0.08 0.00 0.77 0.00 0.00 66.41 66.38 2a81 h THR 206 Cb 0.79 1.79 -0.07 0.00 -1.74 0.00 0.00 68.15 68.93 2a81 h THR 206 CO 0.06 0.23 0.53 0.50 0.37 0.00 0.00 175.52 177.21 2a81 h LYS 207 N -0.50 0.91 -0.22 6.66 3.64 -0.55 0.58 116.57 127.09 2a81 h LYS 207 Ca -0.01 -0.05 0.04 0.00 -1.27 0.00 0.00 60.65 59.36 2a81 h LYS 207 Cb 0.44 -0.20 -0.04 0.00 -0.41 0.00 0.00 32.23 32.02 2a81 h LYS 207 CO 0.01 0.60 -0.02 -0.09 -2.27 0.00 0.00 179.45 177.69 2a81 h ARG 208 N 0.94 0.04 -0.95 1.90 2.43 -1.32 0.59 114.38 118.01 2a81 h ARG 208 Ca 0.40 -0.00 0.03 0.00 -0.81 0.00 0.00 59.98 59.60 2a81 h ARG 208 Cb 0.26 -0.01 -0.05 0.00 -0.42 0.00 0.00 29.97 29.74 2a81 h ARG 208 CO -0.20 0.03 0.62 0.00 -1.51 0.00 0.00 179.97 178.90 2a81 h ALA 209 N 1.20 1.25 0.07 2.80 0.00 -0.89 -1.74 119.26 121.95 2a81 h ALA 209 Ca 0.10 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 2a81 h ALA 209 Cb 0.14 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 17.59 2a81 h ALA 209 CO -0.19 0.51 -0.03 0.28 0.00 0.00 0.00 179.25 179.82 2a81 h VAL 210 N 1.21 1.14 0.00 0.00 2.07 -0.24 -3.23 116.25 117.20 2a81 h VAL 210 Ca 0.37 -0.73 0.00 0.00 0.82 0.00 0.00 66.70 67.16 2a81 h VAL 210 Cb -0.02 1.61 0.00 0.00 -1.52 0.00 0.00 31.29 31.36 2a81 h VAL 210 CO -0.11 0.18 0.00 0.59 0.02 0.00 0.00 177.57 178.25 2a81 n ASN 211 N -4.98 0.00 0.28 0.57 4.13 0.14 -4.10 115.26 111.30 2a81 n ASN 211 Ca -0.08 0.36 -0.17 0.00 1.68 0.00 0.00 54.58 56.37 2a81 n ASN 211 Cb 0.20 -0.45 -0.08 0.00 -1.54 0.00 0.00 39.78 37.90 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 -0.82 -0.77 3.52 3.64 -1.33 -0.20 116.57 120.60 2a81 h LYS 212 Ca 0.00 0.06 0.12 0.00 -1.27 0.00 0.00 60.65 59.55 2a81 h LYS 212 Cb 0.45 0.19 -0.05 0.00 -0.41 0.00 0.00 32.23 32.40 2a81 h LYS 212 CO 0.00 -0.55 0.51 -1.00 -2.27 0.00 0.00 179.45 176.14 2a81 h PRO 213 N -0.86 0.58 -0.01 1.90 0.13 -1.78 -0.39 132.00 131.58 2a81 h PRO 213 Ca -0.05 -0.04 -0.00 0.00 -0.87 0.00 0.00 66.00 65.05 2a81 h PRO 213 Cb 0.74 -0.13 -0.00 0.00 0.13 0.00 0.00 31.00 31.73 2a81 h PRO 213 CO -0.01 0.39 0.00 0.35 -0.23 0.00 0.00 178.00 178.50 2a81 h PHE 214 N 0.60 0.01 -0.36 1.56 3.04 -1.65 -0.18 116.94 119.96 2a81 h PHE 214 Ca 0.37 -0.00 0.03 0.00 3.98 0.00 0.00 57.97 62.35 2a81 h PHE 214 Cb 0.61 -0.00 -0.03 0.00 2.56 0.00 0.00 35.95 39.09 2a81 h PHE 214 CO -0.00 0.09 0.17 0.82 -2.02 0.00 0.00 178.31 177.38 2a81 h ILE 215 N -0.08 0.97 -0.54 1.41 2.04 -0.17 -0.40 117.51 120.75 2a81 h ILE 215 Ca 0.00 -0.12 -0.00 0.00 1.00 0.00 0.00 64.86 65.74 2a81 h ILE 215 Cb 0.09 0.58 -0.03 0.00 -0.74 0.00 0.00 36.82 36.73 2a81 h ILE 215 CO -0.00 0.07 0.33 -0.74 0.00 0.00 0.00 178.15 177.81 2a81 h HIS 216 N 0.36 0.70 -0.25 1.37 2.76 -0.92 -0.26 115.15 118.91 2a81 h HIS 216 Ca 0.15 0.01 -0.11 0.00 -2.20 0.00 0.00 60.37 58.22 2a81 h HIS 216 Cb 0.07 -0.23 -0.00 0.00 1.55 0.00 0.00 27.41 28.79 2a81 h HIS 216 CO -0.10 0.46 -0.26 1.25 -1.30 0.00 0.00 177.93 177.97 2a81 h LEU 217 N 0.74 0.66 -1.39 0.26 5.85 -0.27 -2.63 115.31 118.53 2a81 h LEU 217 Ca 0.20 -0.48 0.06 0.00 0.84 0.00 0.00 57.88 58.49 2a81 h LEU 217 Cb -0.04 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 40.76 2a81 h LEU 217 CO -0.04 1.01 0.46 -0.07 -0.34 0.00 0.00 178.44 179.46 2a81 h LEU 218 N 0.33 0.66 -0.76 2.25 3.38 -0.14 -1.17 115.31 119.87 2a81 h LEU 218 Ca 0.04 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.88 2a81 h LEU 218 Cb 0.83 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.42 2a81 h LEU 218 CO 0.06 0.43 -0.43 -0.08 0.09 0.00 0.00 178.44 178.52 2a81 h GLU 219 N 0.75 0.42 -0.04 1.13 4.57 -0.95 -1.60 114.58 118.86 2a81 h GLU 219 Ca 0.30 -0.22 -0.02 0.00 -1.18 0.00 0.00 59.36 58.24 2a81 h GLU 219 Cb 0.21 0.01 -0.00 0.00 -0.16 0.00 0.00 28.75 28.80 2a81 h GLU 219 CO -0.09 0.77 -0.05 1.96 -1.18 0.00 0.00 179.01 180.42 2a81 h GLN 220 N 0.34 0.11 -0.94 1.92 4.20 -1.07 -3.07 115.11 116.60 2a81 h GLN 220 Ca 0.03 -0.06 0.16 0.00 0.06 0.00 0.00 58.65 58.83 2a81 h GLN 220 Cb 0.90 0.00 -0.08 0.00 0.30 0.00 0.00 27.48 28.60 2a81 h GLN 220 CO 0.08 0.59 0.60 1.15 -0.67 0.00 0.00 178.83 180.57 2a81 h THR 221 N -0.36 0.80 0.59 -0.54 2.02 -1.14 -1.18 112.91 113.11 2a81 h THR 221 Ca 0.01 -0.25 -0.03 0.00 0.77 0.00 0.00 66.41 66.91 2a81 h THR 221 Cb 0.57 0.01 -0.00 0.00 -1.74 0.00 0.00 68.15 66.99 2a81 h THR 221 CO 0.01 0.13 -0.35 -0.09 0.37 0.00 0.00 175.52 175.60 2a81 h ARG 222 N 0.73 -0.85 -1.01 6.66 2.43 -1.26 0.41 114.38 121.50 2a81 h ARG 222 Ca 0.49 0.06 0.23 0.00 -0.81 0.00 0.00 59.98 59.95 2a81 h ARG 222 Cb 0.77 0.19 -0.10 0.00 -0.42 0.00 0.00 29.97 30.41 2a81 h ARG 222 CO -0.25 -0.56 0.63 -0.44 -1.51 0.00 0.00 179.97 177.83 2a81 h ASP 223 N -0.88 0.61 0.05 -3.80 3.32 -1.33 -2.88 116.42 111.50 2a81 h ASP 223 Ca -0.08 0.10 -0.00 0.00 0.02 0.00 0.00 57.03 57.06 2a81 h ASP 223 Cb 0.70 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.24 2a81 h ASP 223 CO 0.09 0.16 -0.02 0.00 -1.72 0.00 0.00 179.24 177.75 2a81 h ALA 224 N 1.65 -0.06 -0.22 3.45 0.00 -1.07 -3.36 119.26 119.64 2a81 h ALA 224 Ca 0.59 -0.11 0.06 0.00 0.00 0.00 0.00 54.91 55.45 2a81 h ALA 224 Cb 1.21 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.01 2a81 h ALA 224 CO -0.35 -0.06 0.50 0.77 0.00 0.00 0.00 179.25 180.10 2a81 h SER 225 N -1.01 0.00 0.46 0.00 0.02 0.03 0.20 113.55 113.25 2a81 h SER 225 Ca -0.01 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.93 2a81 h SER 225 Cb 0.24 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.76 2a81 h SER 225 CO 0.01 0.00 -0.35 0.11 -1.14 0.00 0.00 176.83 175.47 2a81 h LYS 226 N 0.00 -0.76 -0.53 3.45 1.57 -1.68 -1.69 116.57 116.93 2a81 h LYS 226 Ca 0.11 0.05 0.15 0.00 -1.87 0.00 0.00 60.65 59.08 2a81 h LYS 226 Cb 1.11 0.17 -0.02 0.00 0.08 0.00 0.00 32.23 33.57 2a81 h LYS 226 CO -0.00 -0.51 0.38 0.00 -0.57 0.00 0.00 179.45 178.75 2a81 h ALA 227 N -0.36 2.44 0.00 3.86 0.00 -0.80 0.19 119.26 124.58 2a81 h ALA 227 Ca -0.05 -0.02 -0.16 0.00 0.00 0.00 0.00 54.91 54.69 2a81 h ALA 227 Cb 0.67 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.47 2a81 h ALA 227 CO 0.00 -0.59 -0.93 -0.39 0.00 0.00 0.00 179.25 177.34 2a81 h VAL 228 N 0.04 0.84 -0.01 0.00 -1.51 -1.58 -2.94 116.25 111.09 2a81 h VAL 228 Ca 0.25 -1.96 0.00 0.00 -1.23 0.00 0.00 66.70 63.76 2a81 h VAL 228 Cb 0.95 1.92 -0.00 0.00 -2.13 0.00 0.00 31.29 32.03 2a81 h VAL 228 CO -0.01 0.28 0.04 0.45 -1.23 0.00 0.00 177.57 177.10 2a81 h HIS 229 N -1.00 0.00 0.97 5.19 -0.00 -1.30 -0.01 115.15 119.00 2a81 h HIS 229 Ca -0.24 0.00 -0.05 0.00 -0.00 0.00 0.00 60.37 60.09 2a81 h HIS 229 Cb 1.09 0.00 0.01 0.00 -0.00 0.00 0.00 27.41 28.51 2a81 h HIS 229 CO 0.07 0.00 -0.47 0.87 -0.00 0.00 0.00 177.93 178.40 2a81 h LYS 230 N 0.00 -1.25 0.00 2.45 6.56 -0.74 -3.51 116.57 120.08 2a81 h LYS 230 Ca 0.01 0.09 0.00 0.00 -1.06 0.00 0.00 60.65 59.68 2a81 h LYS 230 Cb 0.09 0.28 0.00 0.00 -0.57 0.00 0.00 32.23 32.03 2a81 h LYS 230 CO -0.00 -0.83 0.00 0.00 -2.06 0.00 0.00 179.45 176.56