#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wt9 s GLN 6 N 0.00 3.26 1.10 1.64 -1.52 0.72 -5.02 119.66 119.84 2wt9 s GLN 6 Ca 0.00 1.96 -0.14 0.00 -1.95 0.00 0.00 55.36 55.23 2wt9 s GLN 6 Cb 0.00 -2.18 0.24 0.00 -0.22 0.00 0.00 33.01 30.85 2wt9 s GLN 6 CO 0.00 -1.01 1.06 -1.25 -0.25 0.00 0.00 175.29 173.85 2wt9 s PRO 7 N -2.99 -0.42 0.48 2.91 0.04 -1.26 -4.33 135.00 129.42 2wt9 s PRO 7 Ca 0.71 0.50 0.32 0.00 0.04 0.00 0.00 61.00 62.58 2wt9 s PRO 7 Cb -0.33 -1.64 1.46 0.00 0.04 0.00 0.00 34.50 34.03 2wt9 s PRO 7 CO 0.39 -3.30 1.96 1.96 0.04 0.00 0.00 177.00 178.04 2wt9 h GLN 8 N -2.31 0.00 -0.12 4.56 1.08 -1.95 -2.75 115.11 113.62 2wt9 h GLN 8 Ca -0.56 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.64 2wt9 h GLN 8 Cb 1.33 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.76 2wt9 h GLN 8 CO 0.52 0.00 0.00 0.27 -0.95 0.00 0.00 178.83 178.67 2wt9 n ASN 9 N -2.79 1.06 -4.38 1.46 6.94 -1.26 -4.63 115.26 111.65 2wt9 n ASN 9 Ca 0.00 -1.66 -0.29 0.00 -0.02 0.00 0.00 54.58 52.61 2wt9 n ASN 9 Cb 0.21 -0.08 -0.13 0.00 -2.36 0.00 0.00 39.78 37.42 2wt9 n ASN 9 CO 0.00 0.00 0.00 -0.94 -1.03 0.00 0.00 177.26 175.29 2wt9 s SER 10 N -1.49 3.30 0.03 0.53 1.04 -1.04 -0.57 113.70 115.50 2wt9 s SER 10 Ca 0.28 -0.69 0.02 0.00 0.48 0.00 0.00 55.95 56.04 2wt9 s SER 10 Cb 0.15 -0.25 -0.02 0.00 0.10 0.00 0.00 66.02 65.99 2wt9 s SER 10 CO 0.22 0.20 -0.06 0.00 0.98 0.00 0.00 173.24 174.59 2wt9 s ALA 11 N -0.98 0.43 -0.24 5.32 0.00 -0.41 -4.27 121.76 121.60 2wt9 s ALA 11 Ca 0.13 -0.63 -0.11 0.00 0.00 0.00 0.00 51.96 51.35 2wt9 s ALA 11 Cb -0.10 0.05 -0.05 0.00 0.00 0.00 0.00 23.12 23.02 2wt9 s ALA 11 CO 0.05 -0.04 0.20 -1.17 0.00 0.00 0.00 175.76 174.80 2wt9 s LEU 12 N -1.32 4.10 -0.32 0.00 2.96 -0.72 -1.29 118.68 122.08 2wt9 s LEU 12 Ca -0.10 0.14 -0.09 0.00 -0.22 0.00 0.00 54.13 53.86 2wt9 s LEU 12 Cb -0.09 -2.17 0.01 0.00 0.50 0.00 0.00 46.19 44.44 2wt9 s LEU 12 CO -0.00 0.02 0.15 -0.69 -1.32 0.00 0.00 176.35 174.51 2wt9 s VAL 13 N 1.26 4.44 -0.48 1.68 1.01 0.39 -0.77 120.40 127.92 2wt9 s VAL 13 Ca 0.09 -0.60 -0.14 0.00 0.00 0.00 0.00 61.98 61.33 2wt9 s VAL 13 Cb -0.14 -3.33 0.09 0.00 0.00 0.00 0.00 36.38 33.00 2wt9 s VAL 13 CO 0.06 -0.01 0.39 -0.69 0.00 0.00 0.00 175.10 174.85 2wt9 s VAL 14 N 1.57 4.94 -0.38 2.92 1.01 0.01 -1.71 120.40 128.76 2wt9 s VAL 14 Ca 0.03 -1.31 -0.22 0.00 0.00 0.00 0.00 61.98 60.48 2wt9 s VAL 14 Cb -0.18 -4.05 0.01 0.00 0.00 0.00 0.00 36.38 32.16 2wt9 s VAL 14 CO 0.05 -0.66 0.73 -0.69 0.00 0.00 0.00 175.10 174.53 2wt9 s VAL 15 N 1.56 4.78 -1.41 2.92 1.01 -0.03 -1.38 120.40 127.85 2wt9 s VAL 15 Ca 0.04 0.68 -0.00 0.00 0.00 0.00 0.00 61.98 62.70 2wt9 s VAL 15 Cb -0.26 -4.18 0.00 0.00 0.00 0.00 0.00 36.38 31.94 2wt9 s VAL 15 CO 0.04 -0.45 0.38 0.47 0.00 0.00 0.00 175.10 175.55 2wt9 n ASP 16 N 6.33 -0.23 -3.82 3.32 8.00 -1.06 -0.98 116.55 128.12 2wt9 n ASP 16 Ca 0.01 -1.03 -0.42 0.00 0.71 0.00 0.00 54.79 54.06 2wt9 n ASP 16 Cb 0.48 -2.94 0.00 0.00 -0.02 0.00 0.00 41.12 38.65 2wt9 n ASP 16 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 2wt9 n VAL 17 N -4.41 3.63 -4.31 2.53 0.31 -1.26 -4.46 118.33 110.36 2wt9 n VAL 17 Ca -0.31 -3.33 -0.27 0.00 -0.01 0.00 0.00 64.34 60.42 2wt9 n VAL 17 Cb 0.69 -2.55 -0.10 0.00 -0.91 0.00 0.00 33.84 30.97 2wt9 n VAL 17 CO 0.00 0.00 0.00 -1.10 -1.32 0.00 0.00 176.83 174.41 2wt9 s GLN 18 N 2.82 1.96 0.32 5.55 -0.21 -1.26 -1.44 119.66 127.40 2wt9 s GLN 18 Ca 0.46 -1.29 0.10 0.00 0.02 0.00 0.00 55.36 54.65 2wt9 s GLN 18 Cb 0.12 -2.11 0.88 0.00 1.00 0.00 0.00 33.01 32.90 2wt9 s GLN 18 CO -0.06 0.44 1.74 -0.91 -2.12 0.00 0.00 175.29 174.37 2wt9 h ASN 19 N 3.04 0.68 0.03 5.90 2.35 -1.07 -2.36 115.58 124.14 2wt9 h ASN 19 Ca -0.47 0.13 -0.02 0.00 -0.55 0.00 0.00 56.30 55.39 2wt9 h ASN 19 Cb 1.20 0.02 -0.01 0.00 0.05 0.00 0.00 38.32 39.59 2wt9 h ASN 19 CO 0.53 0.13 -0.06 1.23 -1.65 0.00 0.00 177.43 177.60 2wt9 h GLY 20 N 0.59 0.10 -1.93 2.83 0.00 -1.20 -2.66 103.07 100.81 2wt9 h GLY 20 Ca 0.63 -0.05 0.00 0.00 0.00 0.00 0.00 47.33 47.92 2wt9 h GLY 20 CO -0.45 0.05 0.00 0.69 0.00 0.00 0.00 176.54 176.82 2wt9 n PHE 21 N -4.41 0.33 -4.35 5.60 3.72 -0.90 -0.38 117.46 117.07 2wt9 n PHE 21 Ca -0.02 -0.19 -0.23 0.00 -0.05 0.00 0.00 57.45 56.95 2wt9 n PHE 21 Cb 0.17 -0.00 -0.08 0.00 -0.94 0.00 0.00 39.48 38.63 2wt9 n PHE 21 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 2wt9 s THR 22 N -1.44 3.06 -0.27 4.37 -4.23 -1.01 -1.35 115.64 114.77 2wt9 s THR 22 Ca 0.31 -2.08 -0.41 0.00 -1.18 0.00 0.00 61.69 58.34 2wt9 s THR 22 Cb 0.19 -2.67 -0.16 0.00 1.34 0.00 0.00 72.50 71.20 2wt9 s THR 22 CO 0.27 -0.37 1.69 -2.65 -0.54 0.00 0.00 174.62 173.02 2wt9 n PRO 23 N -0.82 1.00 0.00 3.99 -0.02 -1.26 0.05 135.00 137.94 2wt9 n PRO 23 Ca -0.06 0.36 0.00 0.00 -2.02 0.00 0.00 63.50 61.79 2wt9 n PRO 23 Cb 0.60 -2.02 0.00 0.00 -0.02 0.00 0.00 33.50 32.06 2wt9 n PRO 23 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2wt9 n GLY 24 N 4.00 1.06 3.92 -1.23 0.00 -1.26 -5.03 105.19 106.65 2wt9 n GLY 24 Ca 0.26 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 46.00 2wt9 n GLY 24 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2wt9 s GLY 25 N -1.46 1.67 0.00 -0.02 0.00 0.11 -4.98 107.32 102.63 2wt9 s GLY 25 Ca 0.00 -0.89 0.28 0.00 0.00 0.00 0.00 44.72 44.11 2wt9 s GLY 25 CO 0.00 -0.36 1.89 -2.01 0.00 0.00 0.00 173.10 172.62 2wt9 n ASN 26 N -3.29 0.90 -3.14 1.64 5.15 -1.21 -3.60 115.26 111.72 2wt9 n ASN 26 Ca 0.10 -1.34 -0.17 0.00 -0.60 0.00 0.00 54.58 52.56 2wt9 n ASN 26 Cb 0.60 -0.01 -0.02 0.00 -0.53 0.00 0.00 39.78 39.82 2wt9 n ASN 26 CO 0.00 0.00 0.00 -0.11 1.40 0.00 0.00 177.26 178.55 2wt9 n LEU 27 N -0.28 0.98 -4.69 1.20 7.94 0.49 -4.74 117.00 117.91 2wt9 n LEU 27 Ca 0.20 -4.91 -0.42 0.00 -1.11 0.00 0.00 56.01 49.77 2wt9 n LEU 27 Cb 0.25 0.66 -0.03 0.00 0.53 0.00 0.00 43.42 44.83 2wt9 n LEU 27 CO 0.16 2.23 1.02 0.00 -1.11 0.00 0.00 177.39 179.69 2wt9 s ALA 28 N -2.52 3.53 -0.27 1.96 0.00 -1.18 -4.06 121.76 119.22 2wt9 s ALA 28 Ca 0.39 0.71 -0.11 0.00 0.00 0.00 0.00 51.96 52.96 2wt9 s ALA 28 Cb 0.36 -3.55 -0.05 0.00 0.00 0.00 0.00 23.12 19.88 2wt9 s ALA 28 CO -0.07 -0.83 0.17 0.08 0.00 0.00 0.00 175.76 175.11 2wt9 s VAL 29 N 2.33 5.22 0.24 0.00 1.01 -0.46 -4.87 120.40 123.87 2wt9 s VAL 29 Ca 0.59 0.14 -0.31 0.00 0.00 0.00 0.00 61.98 62.39 2wt9 s VAL 29 Cb -0.27 -3.47 -0.13 0.00 0.00 0.00 0.00 36.38 32.50 2wt9 s VAL 29 CO 0.23 0.27 1.43 0.00 0.00 0.00 0.00 175.10 177.04 2wt9 n ALA 30 N 4.91 1.22 -0.88 5.51 0.00 -1.26 -1.97 120.51 128.04 2wt9 n ALA 30 Ca -0.14 0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.71 2wt9 n ALA 30 Cb 0.52 -2.29 0.00 0.00 0.00 0.00 0.00 19.45 17.68 2wt9 n ALA 30 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2wt9 n ASP 31 N 2.23 -1.67 0.27 0.00 8.00 -1.26 -4.86 116.55 119.26 2wt9 n ASP 31 Ca 0.12 0.00 0.15 0.00 0.71 0.00 0.00 54.79 55.77 2wt9 n ASP 31 Cb 0.32 -1.27 0.68 0.00 -0.02 0.00 0.00 41.12 40.82 2wt9 n ASP 31 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2wt9 h ALA 32 N 0.00 1.04 0.00 2.24 0.00 -1.71 0.14 119.26 120.97 2wt9 h ALA 32 Ca 0.00 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 2wt9 h ALA 32 Cb 0.16 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 2wt9 h ALA 32 CO 0.00 0.09 -0.13 0.38 0.00 0.00 0.00 179.25 179.58 2wt9 h ASP 33 N 0.00 0.00 0.85 0.00 2.03 -1.89 -3.16 116.42 114.24 2wt9 h ASP 33 Ca -0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 2wt9 h ASP 33 Cb 0.51 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.01 2wt9 h ASP 33 CO 0.01 0.13 0.00 0.71 -1.03 0.00 0.00 179.24 179.06 2wt9 h THR 34 N 0.00 0.00 0.00 1.15 1.35 -1.10 -2.60 112.91 111.71 2wt9 h THR 34 Ca -0.00 -0.35 0.00 0.00 -0.55 0.00 0.00 66.41 65.51 2wt9 h THR 34 Cb 0.54 1.19 0.00 0.00 -1.73 0.00 0.00 68.15 68.15 2wt9 h THR 34 CO 0.02 0.00 -0.00 2.30 -0.25 0.00 0.00 175.52 177.58 2wt9 n ILE 35 N -2.59 0.13 -0.07 6.82 -5.35 -1.20 -4.39 119.36 112.71 2wt9 n ILE 35 Ca 0.01 -0.06 -0.12 0.00 -0.27 0.00 0.00 62.75 62.31 2wt9 n ILE 35 Cb 0.26 -0.52 -0.05 0.00 -1.74 0.00 0.00 39.64 37.59 2wt9 n ILE 35 CO 0.00 0.00 0.00 0.40 -1.76 0.00 0.00 176.55 175.19 2wt9 h ILE 36 N 0.00 1.28 -0.94 7.28 2.04 -1.68 -1.29 117.51 124.19 2wt9 h ILE 36 Ca 0.00 -0.99 0.07 0.00 1.00 0.00 0.00 64.86 64.94 2wt9 h ILE 36 Cb 0.55 1.50 -0.07 0.00 -0.74 0.00 0.00 36.82 38.07 2wt9 h ILE 36 CO 0.00 0.30 0.60 -0.65 0.00 0.00 0.00 178.15 178.40 2wt9 h PRO 37 N 0.13 1.04 -0.81 2.37 0.11 -1.80 0.13 132.00 133.17 2wt9 h PRO 37 Ca 0.06 -0.06 -0.00 0.00 0.11 0.00 0.00 66.00 66.10 2wt9 h PRO 37 Cb 0.47 -0.23 -0.04 0.00 0.11 0.00 0.00 31.00 31.31 2wt9 h PRO 37 CO 0.02 0.69 0.50 1.15 -0.21 0.00 0.00 178.00 180.14 2wt9 h THR 38 N 1.07 1.22 -0.48 -1.15 2.02 -1.77 -1.69 112.91 112.13 2wt9 h THR 38 Ca 0.41 -0.47 -0.02 0.00 0.77 0.00 0.00 66.41 67.10 2wt9 h THR 38 Cb 0.20 0.08 -0.02 0.00 -1.74 0.00 0.00 68.15 66.67 2wt9 h THR 38 CO -0.18 0.23 0.21 0.40 0.37 0.00 0.00 175.52 176.55 2wt9 h ILE 39 N 1.10 1.20 -0.65 3.11 2.04 0.25 0.54 117.51 125.11 2wt9 h ILE 39 Ca 0.29 -0.60 0.05 0.00 1.00 0.00 0.00 64.86 65.60 2wt9 h ILE 39 Cb -0.06 0.70 -0.05 0.00 -0.74 0.00 0.00 36.82 36.67 2wt9 h ILE 39 CO -0.06 0.23 0.37 0.78 0.00 0.00 0.00 178.15 179.47 2wt9 h ASN 40 N 0.64 0.56 -0.51 1.72 2.35 -0.62 -0.43 115.58 119.28 2wt9 h ASN 40 Ca 0.16 0.02 -0.06 0.00 -0.55 0.00 0.00 56.30 55.88 2wt9 h ASN 40 Cb 0.16 -0.09 -0.02 0.00 0.05 0.00 0.00 38.32 38.42 2wt9 h ASN 40 CO -0.02 0.37 0.10 -0.61 -1.65 0.00 0.00 177.43 175.62 2wt9 h GLN 41 N 0.69 0.84 -0.63 0.81 4.15 -0.93 -2.98 115.11 117.08 2wt9 h GLN 41 Ca 0.28 -0.22 -0.01 0.00 0.77 0.00 0.00 58.65 59.47 2wt9 h GLN 41 Cb 0.14 -0.10 -0.03 0.00 0.21 0.00 0.00 27.48 27.70 2wt9 h GLN 41 CO -0.16 0.83 0.35 -0.07 -1.93 0.00 0.00 178.83 177.85 2wt9 h LEU 42 N 0.73 0.77 -1.99 -2.39 3.38 -0.28 -2.33 115.31 113.19 2wt9 h LEU 42 Ca 0.16 -0.08 0.16 0.00 0.09 0.00 0.00 57.88 58.21 2wt9 h LEU 42 Cb 0.38 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.91 2wt9 h LEU 42 CO 0.01 0.63 0.47 0.00 0.09 0.00 0.00 178.44 179.64 2wt9 h ALA 43 N 1.17 2.42 0.00 1.53 0.00 -0.94 0.59 119.26 124.04 2wt9 h ALA 43 Ca 0.22 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 2wt9 h ALA 43 Cb 0.02 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 2wt9 h ALA 43 CO -0.04 -0.76 -0.03 0.78 0.00 0.00 0.00 179.25 179.20 2wt9 h GLY 44 N 0.00 0.00 2.00 0.00 0.00 -1.40 -2.47 103.07 101.20 2wt9 h GLY 44 Ca 0.27 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.60 2wt9 h GLY 44 CO -0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.54 2wt9 s PHE 46 N -3.05 2.84 0.18 0.00 0.08 -0.93 -0.20 117.98 116.89 2wt9 s PHE 46 Ca 0.11 -0.07 -0.01 0.00 0.12 0.00 0.00 56.93 57.07 2wt9 s PHE 46 Cb 0.15 -1.59 0.06 0.00 -0.57 0.00 0.00 43.02 41.06 2wt9 s PHE 46 CO 0.48 0.35 1.43 0.93 -0.10 0.00 0.00 175.22 178.31 2wt9 h GLU 47 N 4.57 0.40 -4.66 0.44 4.39 -1.84 -3.44 114.58 114.45 2wt9 h GLU 47 Ca -0.48 -0.33 -0.58 0.00 0.34 0.00 0.00 59.36 58.31 2wt9 h GLU 47 Cb 1.17 0.07 -0.35 0.00 -0.10 0.00 0.00 28.75 29.53 2wt9 h GLU 47 CO 0.53 0.97 -0.83 -0.80 -1.16 0.00 0.00 179.01 177.72 2wt9 s ASN 48 N -6.97 2.44 -0.04 1.42 0.01 -1.26 -5.03 114.94 105.50 2wt9 s ASN 48 Ca -0.06 -0.42 0.00 0.00 -0.71 0.00 0.00 52.86 51.67 2wt9 s ASN 48 Cb 0.10 -1.07 0.03 0.00 0.41 0.00 0.00 41.25 40.72 2wt9 s ASN 48 CO 0.84 -0.02 -0.01 -0.69 -1.51 0.00 0.00 177.10 175.71 2wt9 s VAL 49 N 1.17 0.31 -0.05 1.60 1.01 -1.26 -1.76 120.40 121.41 2wt9 s VAL 49 Ca -0.03 0.04 0.05 0.00 0.00 0.00 0.00 61.98 62.04 2wt9 s VAL 49 Cb -0.14 -0.39 -0.02 0.00 0.00 0.00 0.00 36.38 35.83 2wt9 s VAL 49 CO -0.04 0.19 -0.20 -0.69 0.00 0.00 0.00 175.10 174.35 2wt9 s VAL 50 N 1.16 2.49 -0.07 2.92 1.01 0.05 -1.09 120.40 126.87 2wt9 s VAL 50 Ca -0.08 -0.92 0.01 0.00 0.00 0.00 0.00 61.98 60.99 2wt9 s VAL 50 Cb -0.14 -1.94 -0.03 0.00 0.00 0.00 0.00 36.38 34.28 2wt9 s VAL 50 CO -0.02 0.57 -0.06 -0.76 0.00 0.00 0.00 175.10 174.84 2wt9 s LEU 51 N -0.40 3.22 0.16 3.92 1.43 -0.31 -0.81 118.68 125.90 2wt9 s LEU 51 Ca 0.04 -0.01 0.06 0.00 -1.03 0.00 0.00 54.13 53.19 2wt9 s LEU 51 Cb -0.12 -1.71 -0.04 0.00 0.03 0.00 0.00 46.19 44.35 2wt9 s LEU 51 CO 0.02 0.36 0.04 0.42 0.23 0.00 0.00 176.35 177.41 2wt9 s THR 52 N -0.83 3.96 -0.15 5.49 -4.23 -0.48 -0.79 115.64 118.62 2wt9 s THR 52 Ca 0.13 -1.28 -0.04 0.00 -1.18 0.00 0.00 61.69 59.32 2wt9 s THR 52 Cb -0.11 -2.99 0.07 0.00 1.34 0.00 0.00 72.50 70.81 2wt9 s THR 52 CO 0.02 -0.08 0.21 -1.58 -0.54 0.00 0.00 174.62 172.65 2wt9 s GLN 53 N -2.92 0.13 0.30 3.99 0.74 -0.70 -2.56 119.66 118.65 2wt9 s GLN 53 Ca 0.28 0.46 -0.29 0.00 0.05 0.00 0.00 55.36 55.86 2wt9 s GLN 53 Cb -0.10 -0.61 -0.11 0.00 1.10 0.00 0.00 33.01 33.30 2wt9 s GLN 53 CO 0.20 -0.45 1.46 0.34 -0.55 0.00 0.00 175.29 176.28 2wt9 s ASP 54 N 2.34 6.55 -0.47 6.67 2.15 -1.26 -1.66 116.67 130.98 2wt9 s ASP 54 Ca 0.04 2.82 0.06 0.00 0.43 0.00 0.00 52.55 55.90 2wt9 s ASP 54 Cb -0.14 -2.64 0.23 0.00 -0.30 0.00 0.00 42.92 40.07 2wt9 s ASP 54 CO -0.09 -0.75 0.77 1.87 -0.17 0.00 0.00 175.17 176.80 2wt9 n TRP 55 N 1.56 -2.80 -3.64 -5.34 -0.00 -0.02 -4.85 117.44 102.34 2wt9 n TRP 55 Ca 0.04 -2.08 -0.36 0.00 -0.00 0.00 0.00 57.50 55.10 2wt9 n TRP 55 Cb 0.40 1.16 -0.06 0.00 -0.00 0.00 0.00 31.31 32.81 2wt9 n TRP 55 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 177.69 176.68 2wt9 s HIS 56 N 0.37 3.64 0.77 5.87 3.76 -0.68 -3.29 115.29 125.73 2wt9 s HIS 56 Ca 0.32 0.78 -0.12 0.00 -0.15 0.00 0.00 55.06 55.89 2wt9 s HIS 56 Cb 0.17 -2.13 0.05 0.00 1.11 0.00 0.00 32.58 31.78 2wt9 s HIS 56 CO -0.19 0.63 1.10 -1.25 -0.85 0.00 0.00 174.74 174.18 2wt9 s PRO 57 N -1.37 2.36 0.44 8.40 0.04 -1.26 -1.54 135.00 142.06 2wt9 s PRO 57 Ca 0.25 0.54 0.19 0.00 0.04 0.00 0.00 61.00 62.01 2wt9 s PRO 57 Cb -0.14 -1.96 1.01 0.00 0.04 0.00 0.00 34.50 33.45 2wt9 s PRO 57 CO 0.13 -1.41 1.92 0.38 0.04 0.00 0.00 177.00 178.07 2wt9 h ASP 58 N -0.93 0.00 -0.56 6.66 2.03 -1.98 -0.28 116.42 121.36 2wt9 h ASP 58 Ca -0.46 0.00 -0.23 0.00 -0.73 0.00 0.00 57.03 55.61 2wt9 h ASP 58 Cb 1.27 0.00 -0.14 0.00 -0.83 0.00 0.00 39.33 39.63 2wt9 h ASP 58 CO 0.61 0.25 0.29 -0.46 -1.03 0.00 0.00 179.24 178.91 2wt9 n ASN 59 N -3.89 3.70 -4.77 4.15 6.94 -1.26 -4.97 115.26 115.15 2wt9 n ASN 59 Ca -0.02 -2.91 -0.41 0.00 -0.02 0.00 0.00 54.58 51.23 2wt9 n ASN 59 Cb 0.34 -0.69 -0.01 0.00 -2.36 0.00 0.00 39.78 37.05 2wt9 n ASN 59 CO 0.00 0.00 0.00 -2.28 -1.03 0.00 0.00 177.26 173.95 2wt9 s HIS 60 N -2.15 2.87 0.51 -2.53 2.46 -0.12 -4.84 115.29 111.50 2wt9 s HIS 60 Ca 0.37 1.28 0.38 0.00 0.47 0.00 0.00 55.06 57.56 2wt9 s HIS 60 Cb 0.30 -3.82 2.02 0.00 -0.13 0.00 0.00 32.58 30.95 2wt9 s HIS 60 CO 0.08 -2.37 2.24 0.97 -2.47 0.00 0.00 174.74 173.20 2wt9 h ILE 61 N 3.06 0.15 0.00 0.89 2.10 -1.30 -2.65 117.51 119.76 2wt9 h ILE 61 Ca -0.49 -0.18 0.00 0.00 1.08 0.00 0.00 64.86 65.27 2wt9 h ILE 61 Cb 1.23 1.15 0.00 0.00 -1.09 0.00 0.00 36.82 38.11 2wt9 h ILE 61 CO 0.66 0.02 0.00 -1.54 -1.08 0.00 0.00 178.15 176.21 2wt9 n SER 62 N -3.26 0.00 -4.69 2.19 3.41 -1.26 -4.79 113.62 105.22 2wt9 n SER 62 Ca -0.02 0.27 -0.41 0.00 -0.26 0.00 0.00 58.87 58.45 2wt9 n SER 62 Cb 0.14 -0.42 -0.04 0.00 -0.26 0.00 0.00 64.21 63.63 2wt9 n SER 62 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 2wt9 s PHE 63 N -2.85 3.49 0.38 7.33 0.08 -1.00 -0.60 117.98 124.82 2wt9 s PHE 63 Ca 0.19 1.30 0.13 0.00 0.12 0.00 0.00 56.93 58.67 2wt9 s PHE 63 Cb 0.19 -2.96 0.94 0.00 -0.57 0.00 0.00 43.02 40.63 2wt9 s PHE 63 CO 0.50 -0.11 1.86 0.00 -0.10 0.00 0.00 175.22 177.37 2wt9 h ALA 64 N 7.10 2.00 -0.02 5.36 0.00 -1.05 -1.41 119.26 131.23 2wt9 h ALA 64 Ca -0.34 0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.60 2wt9 h ALA 64 Cb 1.16 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.88 2wt9 h ALA 64 CO 0.80 -0.27 0.03 0.00 0.00 0.00 0.00 179.25 179.81 2wt9 h ALA 65 N 1.61 1.46 -0.44 0.00 0.00 -1.86 -0.41 119.26 119.62 2wt9 h ALA 65 Ca 0.46 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.37 2wt9 h ALA 65 Cb 0.94 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.73 2wt9 h ALA 65 CO -0.21 -0.04 0.00 0.09 0.00 0.00 0.00 179.25 179.09 2wt9 n ASN 66 N -3.68 3.94 -3.44 0.00 3.02 -0.53 -4.49 115.26 110.07 2wt9 n ASN 66 Ca -0.02 -2.48 -0.28 0.00 -0.03 0.00 0.00 54.58 51.76 2wt9 n ASN 66 Cb 0.11 -0.56 -0.11 0.00 -0.61 0.00 0.00 39.78 38.61 2wt9 n ASN 66 CO 0.00 0.00 0.00 -1.00 -2.62 0.00 0.00 177.26 173.64 2wt9 s HIS 67 N -2.00 0.96 0.06 3.10 3.76 -0.16 -5.04 115.29 115.97 2wt9 s HIS 67 Ca 0.38 -1.99 -0.37 0.00 -0.15 0.00 0.00 55.06 52.92 2wt9 s HIS 67 Cb 0.26 -0.96 -0.18 0.00 1.11 0.00 0.00 32.58 32.81 2wt9 s HIS 67 CO 0.14 -0.82 1.08 -2.30 -0.85 0.00 0.00 174.74 171.99 2wt9 n PRO 68 N 3.45 0.38 -0.68 8.40 -0.02 -1.26 -1.30 135.00 143.97 2wt9 n PRO 68 Ca 0.20 0.14 0.00 0.00 -2.02 0.00 0.00 63.50 61.82 2wt9 n PRO 68 Cb 0.42 -1.61 0.00 0.00 -0.02 0.00 0.00 33.50 32.29 2wt9 n PRO 68 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2wt9 n GLY 69 N 1.83 1.33 3.85 -1.23 0.00 -1.26 -5.04 105.19 104.67 2wt9 n GLY 69 Ca 0.19 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.94 2wt9 n GLY 69 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wt9 s LYS 70 N -0.12 3.11 0.03 1.61 -0.14 -0.42 -5.13 119.74 118.69 2wt9 s LYS 70 Ca 0.00 -0.74 0.05 0.00 -1.36 0.00 0.00 55.97 53.92 2wt9 s LYS 70 Cb 0.00 -2.78 -0.03 0.00 -1.68 0.00 0.00 37.83 33.33 2wt9 s LYS 70 CO 0.00 0.51 -0.10 -0.65 -0.76 0.00 0.00 175.35 174.35 2wt9 s GLN 71 N -3.07 2.36 0.26 1.68 -1.52 -1.26 -4.78 119.66 113.33 2wt9 s GLN 71 Ca 0.32 -0.84 -0.28 0.00 -1.95 0.00 0.00 55.36 52.61 2wt9 s GLN 71 Cb -0.11 -2.39 -0.15 0.00 -0.22 0.00 0.00 33.01 30.14 2wt9 s GLN 71 CO 0.25 0.57 0.91 -2.30 -0.25 0.00 0.00 175.29 174.48 2wt9 n PRO 72 N 1.38 1.05 -0.86 2.91 -0.02 -1.26 -2.03 135.00 136.17 2wt9 n PRO 72 Ca -0.15 0.37 0.00 0.00 -2.02 0.00 0.00 63.50 61.70 2wt9 n PRO 72 Cb 0.52 -1.67 0.00 0.00 -0.02 0.00 0.00 33.50 32.34 2wt9 n PRO 72 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 2wt9 n PHE 73 N 0.24 0.00 -2.65 6.00 3.72 0.27 -4.96 117.46 120.09 2wt9 n PHE 73 Ca 0.12 0.00 -0.27 0.00 -0.05 0.00 0.00 57.45 57.25 2wt9 n PHE 73 Cb 0.30 -0.06 0.01 0.00 -0.94 0.00 0.00 39.48 38.78 2wt9 n PHE 73 CO 0.00 0.00 0.00 -1.83 -0.05 0.00 0.00 176.76 174.88 2wt9 s GLU 74 N -0.04 3.35 -0.05 -1.08 -1.05 -0.86 -4.80 118.70 114.16 2wt9 s GLU 74 Ca 0.00 0.06 0.01 0.00 -0.15 0.00 0.00 54.97 54.90 2wt9 s GLU 74 Cb 0.00 -2.38 -0.03 0.00 -0.44 0.00 0.00 34.13 31.28 2wt9 s GLU 74 CO 0.00 -0.31 -0.06 0.99 0.95 0.00 0.00 175.26 176.82 2wt9 s THR 75 N -2.76 3.72 0.27 1.83 2.01 -1.26 -0.59 115.64 118.86 2wt9 s THR 75 Ca 0.49 -0.54 0.07 0.00 0.31 0.00 0.00 61.69 62.01 2wt9 s THR 75 Cb -0.10 -2.55 -0.06 0.00 0.01 0.00 0.00 72.50 69.80 2wt9 s THR 75 CO 0.44 0.55 -0.06 0.27 -0.69 0.00 0.00 174.62 175.13 2wt9 s ILE 76 N -0.86 1.62 -0.25 1.82 -4.36 -0.02 -4.96 121.20 114.19 2wt9 s ILE 76 Ca 0.14 -2.12 -0.12 0.00 -0.26 0.00 0.00 60.65 58.28 2wt9 s ILE 76 Cb -0.11 -2.43 -0.05 0.00 1.25 0.00 0.00 42.46 41.12 2wt9 s ILE 76 CO 0.03 -0.31 0.23 -1.61 0.24 0.00 0.00 174.94 173.52 2wt9 s GLU 77 N -3.73 4.04 0.53 0.37 0.41 -1.26 -1.25 118.70 117.81 2wt9 s GLU 77 Ca 0.29 -0.17 0.04 0.00 -0.41 0.00 0.00 54.97 54.72 2wt9 s GLU 77 Cb 0.04 -3.59 0.02 0.00 -1.78 0.00 0.00 34.13 28.82 2wt9 s GLU 77 CO 0.12 -0.07 0.28 -0.51 -0.49 0.00 0.00 175.26 174.59 2wt9 s LEU 78 N 1.43 2.61 0.26 1.80 1.43 -0.09 -4.99 118.68 121.13 2wt9 s LEU 78 Ca 0.10 -1.35 -0.02 0.00 -1.03 0.00 0.00 54.13 51.84 2wt9 s LEU 78 Cb -0.15 -1.09 0.54 0.00 0.03 0.00 0.00 46.19 45.52 2wt9 s LEU 78 CO 0.08 -1.01 1.73 0.44 0.23 0.00 0.00 176.35 177.82 2wt9 h ASP 79 N 0.95 0.36 -0.08 2.29 5.19 -1.98 -1.97 116.42 121.18 2wt9 h ASP 79 Ca -0.39 0.11 0.00 0.00 -0.62 0.00 0.00 57.03 56.13 2wt9 h ASP 79 Cb 1.30 0.07 0.00 0.00 0.18 0.00 0.00 39.33 40.89 2wt9 h ASP 79 CO 0.62 0.12 0.00 0.00 -3.12 0.00 0.00 179.24 176.86 2wt9 n TYR 80 N -4.97 0.09 0.00 4.55 0.18 -1.26 -5.03 117.16 110.72 2wt9 n TYR 80 Ca 0.17 -0.05 0.00 0.00 1.88 0.00 0.00 57.90 59.90 2wt9 n TYR 80 Cb 0.47 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.43 2wt9 n TYR 80 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 2wt9 n GLY 81 N 1.10 0.53 3.77 -7.48 0.00 -0.74 -4.91 105.19 97.46 2wt9 n GLY 81 Ca 0.18 -2.16 -0.39 0.00 0.00 0.00 0.00 46.02 43.65 2wt9 n GLY 81 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2wt9 s SER 82 N -4.00 6.55 -0.14 1.61 0.01 -1.26 -0.92 113.70 115.56 2wt9 s SER 82 Ca 0.00 2.42 -0.03 0.00 1.31 0.00 0.00 55.95 59.65 2wt9 s SER 82 Cb 0.00 -2.62 0.05 0.00 0.21 0.00 0.00 66.02 63.66 2wt9 s SER 82 CO 0.00 -0.66 0.04 -1.58 0.41 0.00 0.00 173.24 171.45 2wt9 s GLN 83 N -2.19 0.47 0.27 12.44 2.00 -0.38 -4.88 119.66 127.38 2wt9 s GLN 83 Ca 0.56 -0.13 -0.30 0.00 -2.00 0.00 0.00 55.36 53.49 2wt9 s GLN 83 Cb -0.33 -1.58 -0.10 0.00 0.80 0.00 0.00 33.01 31.80 2wt9 s GLN 83 CO 0.42 -0.52 1.42 0.08 -0.50 0.00 0.00 175.29 176.19 2wt9 s VAL 84 N 1.97 2.64 -0.02 1.34 1.01 -1.26 -0.84 120.40 125.24 2wt9 s VAL 84 Ca 0.02 0.56 -0.08 0.00 0.00 0.00 0.00 61.98 62.48 2wt9 s VAL 84 Cb -0.15 -3.36 -0.05 0.00 0.00 0.00 0.00 36.38 32.83 2wt9 s VAL 84 CO -0.07 0.10 0.27 -0.76 0.00 0.00 0.00 175.10 174.64 2wt9 s LEU 85 N -0.72 4.39 0.24 3.92 1.43 0.24 -4.85 118.68 123.33 2wt9 s LEU 85 Ca 0.57 0.60 0.09 0.00 -1.03 0.00 0.00 54.13 54.36 2wt9 s LEU 85 Cb -0.42 -2.54 -0.05 0.00 0.03 0.00 0.00 46.19 43.21 2wt9 s LEU 85 CO 0.46 0.29 -0.14 0.26 0.23 0.00 0.00 176.35 177.45 2wt9 s TRP 86 N -1.22 1.91 0.70 0.29 0.52 0.23 0.95 118.94 122.33 2wt9 s TRP 86 Ca 0.25 -0.54 -0.17 0.00 0.02 0.00 0.00 56.10 55.66 2wt9 s TRP 86 Cb -0.13 -0.92 -0.05 0.00 -1.15 0.00 0.00 33.47 31.21 2wt9 s TRP 86 CO 0.13 0.44 0.45 -2.30 0.02 0.00 0.00 176.95 175.69 2wt9 n PRO 87 N -0.49 0.30 -1.74 4.98 -0.02 -1.26 -0.44 135.00 136.33 2wt9 n PRO 87 Ca -0.07 0.14 -0.42 0.00 -2.02 0.00 0.00 63.50 61.13 2wt9 n PRO 87 Cb 0.61 -1.74 -0.02 0.00 -0.02 0.00 0.00 33.50 32.33 2wt9 n PRO 87 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 2wt9 n LYS 88 N -0.43 2.65 -3.58 -0.52 5.02 -1.26 -4.81 118.16 115.23 2wt9 n LYS 88 Ca 0.10 0.94 -0.15 0.00 -2.02 0.00 0.00 58.31 57.18 2wt9 n LYS 88 Cb 0.50 -2.72 -0.06 0.00 -0.02 0.00 0.00 35.03 32.73 2wt9 n LYS 88 CO 0.00 0.00 0.00 -3.38 -0.52 0.00 0.00 177.40 173.50 2wt9 s HIS 89 N -0.01 -0.47 -1.57 2.13 -3.43 -1.26 -4.63 115.29 106.05 2wt9 s HIS 89 Ca 0.64 0.66 -0.12 0.00 -0.80 0.00 0.00 55.06 55.44 2wt9 s HIS 89 Cb -0.51 0.34 0.09 0.00 -1.43 0.00 0.00 32.58 31.07 2wt9 s HIS 89 CO 0.49 -0.60 0.74 0.00 -2.00 0.00 0.00 174.74 173.37 2wt9 s ILE 91 N -3.48 3.10 -0.00 0.00 1.01 -1.26 -1.68 121.20 118.89 2wt9 s ILE 91 Ca 0.50 1.03 -0.36 0.00 0.00 0.00 0.00 60.65 61.83 2wt9 s ILE 91 Cb -0.27 -3.66 -0.15 0.00 0.01 0.00 0.00 42.46 38.39 2wt9 s ILE 91 CO 0.89 0.22 1.58 0.00 0.00 0.00 0.00 174.94 177.63 2wt9 n GLN 92 N 1.52 1.59 -0.19 2.79 6.02 -0.59 -1.63 117.38 126.90 2wt9 n GLN 92 Ca 0.02 0.58 0.00 0.00 -0.01 0.00 0.00 57.00 57.58 2wt9 n GLN 92 Cb 0.43 -2.30 0.00 0.00 1.02 0.00 0.00 30.24 29.39 2wt9 n GLN 92 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2wt9 n GLY 93 N 3.44 1.72 3.93 1.08 0.00 -1.26 -5.03 105.19 109.07 2wt9 n GLY 93 Ca 0.20 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.97 2wt9 n GLY 93 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2wt9 s THR 94 N -2.88 4.03 0.30 2.61 -4.23 -0.65 -4.99 115.64 109.84 2wt9 s THR 94 Ca 0.00 -0.18 0.04 0.00 -1.18 0.00 0.00 61.69 60.37 2wt9 s THR 94 Cb 0.00 -3.54 0.29 0.00 1.34 0.00 0.00 72.50 70.60 2wt9 s THR 94 CO 0.00 -0.48 1.84 -0.74 -0.54 0.00 0.00 174.62 174.70 2wt9 h HIS 95 N 0.14 1.06 -0.70 3.99 -0.00 -1.96 -2.18 115.15 115.49 2wt9 h HIS 95 Ca -0.46 0.03 0.04 0.00 -0.00 0.00 0.00 60.37 59.98 2wt9 h HIS 95 Cb 1.25 -0.33 -0.04 0.00 -0.00 0.00 0.00 27.41 28.28 2wt9 h HIS 95 CO 0.48 0.40 0.46 0.22 -0.00 0.00 0.00 177.93 179.50 2wt9 h ASP 96 N 0.90 0.72 1.59 3.26 3.58 -1.94 -1.65 116.42 122.88 2wt9 h ASP 96 Ca 0.49 -0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.93 2wt9 h ASP 96 Cb 0.57 -0.16 0.00 0.00 1.72 0.00 0.00 39.33 41.46 2wt9 h ASP 96 CO -0.26 0.49 0.00 0.00 -2.88 0.00 0.00 179.24 176.59 2wt9 h ALA 97 N 1.59 1.00 -2.44 -0.78 0.00 -1.57 0.23 119.26 117.30 2wt9 h ALA 97 Ca 0.28 0.00 -0.51 0.00 0.00 0.00 0.00 54.91 54.68 2wt9 h ALA 97 Cb 0.08 0.00 0.12 0.00 0.00 0.00 0.00 17.79 17.99 2wt9 h ALA 97 CO -0.08 0.00 0.36 -1.21 0.00 0.00 0.00 179.25 178.32 2wt9 s GLU 98 N -3.16 2.57 0.66 0.00 2.02 -0.62 -4.78 118.70 115.38 2wt9 s GLU 98 Ca 0.09 1.37 -0.17 0.00 0.02 0.00 0.00 54.97 56.28 2wt9 s GLU 98 Cb 0.10 -1.92 -0.00 0.00 0.10 0.00 0.00 34.13 32.40 2wt9 s GLU 98 CO 0.61 -1.43 1.24 -0.06 0.02 0.00 0.00 175.26 175.64 2wt9 s PHE 99 N -2.45 2.16 0.28 1.61 0.08 -1.26 -0.89 117.98 117.52 2wt9 s PHE 99 Ca 0.66 1.53 -0.29 0.00 0.12 0.00 0.00 56.93 58.95 2wt9 s PHE 99 Cb -0.20 -3.57 -0.10 0.00 -0.57 0.00 0.00 43.02 38.58 2wt9 s PHE 99 CO 0.46 -2.62 1.33 -1.58 -0.10 0.00 0.00 175.22 172.70 2wt9 s HIS 100 N -1.63 3.11 0.58 0.36 2.46 -0.52 -4.52 115.29 115.13 2wt9 s HIS 100 Ca 0.79 1.30 0.28 0.00 0.47 0.00 0.00 55.06 57.89 2wt9 s HIS 100 Cb -0.33 -3.68 1.59 0.00 -0.13 0.00 0.00 32.58 30.03 2wt9 s HIS 100 CO 0.39 -2.00 2.06 -1.35 -2.47 0.00 0.00 174.74 171.38 2wt9 h PRO 101 N 4.20 0.00 0.00 2.88 0.11 -1.92 0.13 132.00 137.40 2wt9 h PRO 101 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 2wt9 h PRO 101 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 2wt9 h PRO 101 CO 0.71 0.00 0.00 -0.44 -0.21 0.00 0.00 178.00 178.06 2wt9 h ASP 102 N 0.00 0.00 -2.90 -2.05 3.32 -1.98 -3.44 116.42 109.37 2wt9 h ASP 102 Ca 0.12 0.00 -0.53 0.00 0.02 0.00 0.00 57.03 56.64 2wt9 h ASP 102 Cb 0.62 0.00 0.04 0.00 0.22 0.00 0.00 39.33 40.20 2wt9 h ASP 102 CO -0.00 0.00 0.82 -0.22 -1.72 0.00 0.00 179.24 178.12 2wt9 s LEU 103 N -5.98 4.37 -0.38 1.55 2.96 0.45 -4.88 118.68 116.77 2wt9 s LEU 103 Ca 0.06 2.50 0.02 0.00 -0.22 0.00 0.00 54.13 56.50 2wt9 s LEU 103 Cb 0.07 -3.59 0.16 0.00 0.50 0.00 0.00 46.19 43.32 2wt9 s LEU 103 CO 0.63 -0.76 0.28 0.21 -1.32 0.00 0.00 176.35 175.40 2wt9 s ASN 104 N 1.12 2.12 -0.51 3.68 2.47 -1.26 -4.95 114.94 117.61 2wt9 s ASN 104 Ca 0.68 -2.63 0.06 0.00 0.42 0.00 0.00 52.86 51.39 2wt9 s ASN 104 Cb -0.41 -0.39 0.21 0.00 -1.45 0.00 0.00 41.25 39.21 2wt9 s ASN 104 CO 0.31 -0.24 0.51 -0.38 -3.72 0.00 0.00 177.10 173.58 2wt9 n ILE 105 N 3.43 0.25 0.28 -5.21 5.41 -1.26 -4.81 119.36 117.45 2wt9 n ILE 105 Ca 0.21 -4.25 0.13 0.00 1.00 0.00 0.00 62.75 59.84 2wt9 n ILE 105 Cb 0.43 -1.94 0.82 0.00 -0.71 0.00 0.00 39.64 38.24 2wt9 n ILE 105 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 176.55 178.10 2wt9 h PRO 106 N 4.82 0.00 0.00 0.38 0.13 -1.99 -2.19 132.00 133.15 2wt9 h PRO 106 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 2wt9 h PRO 106 Cb 0.82 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.95 2wt9 h PRO 106 CO 0.56 0.04 0.00 0.25 -0.23 0.00 0.00 178.00 178.62 2wt9 n THR 107 N -3.91 0.00 -1.76 1.56 -2.24 -1.26 -4.90 114.28 101.77 2wt9 n THR 107 Ca -0.03 0.00 -0.41 0.00 -2.27 0.00 0.00 64.05 61.34 2wt9 n THR 107 Cb 0.13 -0.54 -0.00 0.00 -2.10 0.00 0.00 70.33 67.81 2wt9 n THR 107 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2wt9 n ALA 108 N -1.02 2.34 0.51 6.98 0.00 -0.82 -4.69 120.51 123.81 2wt9 n ALA 108 Ca 0.22 0.35 0.06 0.00 0.00 0.00 0.00 53.44 54.07 2wt9 n ALA 108 Cb 0.11 -2.42 -0.07 0.00 0.00 0.00 0.00 19.45 17.07 2wt9 n ALA 108 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2wt9 n GLN 109 N 0.89 2.74 -3.70 0.00 6.02 -0.25 -5.00 117.38 118.07 2wt9 n GLN 109 Ca 0.03 -0.01 -0.13 0.00 -0.01 0.00 0.00 57.00 56.88 2wt9 n GLN 109 Cb 0.38 -1.09 -0.09 0.00 1.02 0.00 0.00 30.24 30.46 2wt9 n GLN 109 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 2wt9 s LEU 110 N -2.70 0.13 -0.12 1.08 2.96 -1.25 -5.06 118.68 113.72 2wt9 s LEU 110 Ca 0.04 0.95 0.00 0.00 -0.22 0.00 0.00 54.13 54.90 2wt9 s LEU 110 Cb 0.09 1.69 0.02 0.00 0.50 0.00 0.00 46.19 48.49 2wt9 s LEU 110 CO 0.50 -0.19 -0.11 -0.63 -1.32 0.00 0.00 176.35 174.60 2wt9 s ILE 111 N 0.18 1.25 -0.20 6.68 1.01 -1.26 -1.16 121.20 127.70 2wt9 s ILE 111 Ca -0.01 -0.44 -0.06 0.00 0.00 0.00 0.00 60.65 60.14 2wt9 s ILE 111 Cb -0.03 -1.20 -0.03 0.00 0.01 0.00 0.00 42.46 41.20 2wt9 s ILE 111 CO 0.01 0.40 0.03 -0.51 0.00 0.00 0.00 174.94 174.87 2wt9 s ILE 112 N 1.47 4.24 0.08 2.92 2.07 0.03 -4.98 121.20 127.02 2wt9 s ILE 112 Ca 0.02 -0.22 -0.06 0.00 -1.41 0.00 0.00 60.65 58.98 2wt9 s ILE 112 Cb -0.13 -2.92 -0.05 0.00 0.13 0.00 0.00 42.46 39.49 2wt9 s ILE 112 CO -0.07 0.43 0.34 -0.13 -1.91 0.00 0.00 174.94 173.60 2wt9 s ARG 113 N 0.88 3.63 0.05 3.50 0.52 -1.26 -1.73 118.95 124.55 2wt9 s ARG 113 Ca 0.02 -0.04 -0.02 0.00 -0.52 0.00 0.00 55.73 55.18 2wt9 s ARG 113 Cb -0.14 -2.96 -0.04 0.00 0.52 0.00 0.00 34.95 32.33 2wt9 s ARG 113 CO 0.02 0.55 -0.01 -1.59 0.02 0.00 0.00 175.30 174.29 2wt9 s LYS 114 N -2.20 0.61 0.00 3.54 -2.85 -0.67 -4.87 119.74 113.31 2wt9 s LYS 114 Ca 0.35 -1.16 0.00 0.00 -1.00 0.00 0.00 55.97 54.15 2wt9 s LYS 114 Cb -0.13 0.22 0.00 0.00 -2.06 0.00 0.00 37.83 35.86 2wt9 s LYS 114 CO 0.21 -0.12 0.00 0.41 0.10 0.00 0.00 175.35 175.95 2wt9 n GLY 115 N 0.18 0.58 0.02 0.59 0.00 -1.26 -0.84 105.19 104.45 2wt9 n GLY 115 Ca -0.15 -0.54 0.12 0.00 0.00 0.00 0.00 46.02 45.46 2wt9 n GLY 115 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 2wt9 n PHE 116 N -2.72 0.15 -2.58 1.61 1.16 -1.21 -4.12 117.46 109.76 2wt9 n PHE 116 Ca 0.00 0.04 -0.42 0.00 -1.87 0.00 0.00 57.45 55.20 2wt9 n PHE 116 Cb 0.00 -0.38 -0.03 0.00 -1.61 0.00 0.00 39.48 37.46 2wt9 n PHE 116 CO 0.00 0.00 0.00 -1.01 -1.87 0.00 0.00 176.76 173.88 2wt9 s HIS 117 N -3.05 3.37 0.48 2.97 3.76 -1.26 -4.56 115.29 117.00 2wt9 s HIS 117 Ca 0.10 1.42 0.18 0.00 -0.15 0.00 0.00 55.06 56.61 2wt9 s HIS 117 Cb 0.16 -3.30 1.18 0.00 1.11 0.00 0.00 32.58 31.74 2wt9 s HIS 117 CO 0.70 -0.74 2.00 0.00 -0.85 0.00 0.00 174.74 175.84 2wt9 h ALA 118 N 7.23 2.19 -0.22 -1.40 0.00 -1.90 -2.67 119.26 122.48 2wt9 h ALA 118 Ca -0.33 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.57 2wt9 h ALA 118 Cb 1.16 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.92 2wt9 h ALA 118 CO 0.86 -0.31 0.00 0.72 0.00 0.00 0.00 179.25 180.51 2wt9 n HIS 119 N -4.45 0.27 -3.69 0.00 8.25 -1.26 -0.84 115.22 113.51 2wt9 n HIS 119 Ca 0.09 -0.16 -0.21 0.00 -0.26 0.00 0.00 57.72 57.17 2wt9 n HIS 119 Cb 0.43 -0.00 -0.18 0.00 1.12 0.00 0.00 29.99 31.36 2wt9 n HIS 119 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 2wt9 s ILE 120 N -1.46 0.01 1.01 1.59 1.01 -1.01 -4.88 121.20 117.47 2wt9 s ILE 120 Ca 0.29 0.31 -0.12 0.00 0.00 0.00 0.00 60.65 61.13 2wt9 s ILE 120 Cb 0.18 -0.27 0.19 0.00 0.01 0.00 0.00 42.46 42.57 2wt9 s ILE 120 CO 0.26 0.16 1.09 -0.62 0.00 0.00 0.00 174.94 175.83 2wt9 s ASP 121 N 2.12 2.54 -0.49 3.58 -1.08 -1.26 -4.39 116.67 117.69 2wt9 s ASP 121 Ca 0.05 1.22 0.06 0.00 -0.52 0.00 0.00 52.55 53.36 2wt9 s ASP 121 Cb -0.12 -1.89 0.23 0.00 -1.46 0.00 0.00 42.92 39.67 2wt9 s ASP 121 CO -0.04 -3.19 0.84 -0.24 0.52 0.00 0.00 175.17 173.07 2wt9 n SER 122 N -4.22 -2.88 -0.21 -0.34 2.88 -1.26 -1.19 113.62 106.40 2wt9 n SER 122 Ca 0.05 -3.21 0.01 0.00 -1.33 0.00 0.00 58.87 54.40 2wt9 n SER 122 Cb 0.57 1.71 0.12 0.00 -0.75 0.00 0.00 64.21 65.86 2wt9 n SER 122 CO 0.00 0.00 0.00 1.88 -1.23 0.00 0.00 175.04 175.69 2wt9 h TYR 123 N 4.20 0.26 -3.78 0.66 0.05 -1.93 -3.40 116.97 113.03 2wt9 h TYR 123 Ca -0.10 0.04 -0.51 0.00 0.05 0.00 0.00 58.73 58.21 2wt9 h TYR 123 Cb 1.04 -0.02 0.02 0.00 1.01 0.00 0.00 36.73 38.77 2wt9 h TYR 123 CO 0.04 -0.01 0.48 0.45 -1.05 0.00 0.00 178.16 178.07 2wt9 s SER 124 N -5.31 7.26 0.00 3.88 0.15 -1.26 -4.36 113.70 114.06 2wt9 s SER 124 Ca -0.13 2.26 0.30 0.00 0.70 0.00 0.00 55.95 59.08 2wt9 s SER 124 Cb 0.18 -2.62 1.60 0.00 -1.71 0.00 0.00 66.02 63.46 2wt9 s SER 124 CO 0.74 -0.16 2.05 0.00 1.20 0.00 0.00 173.24 177.08 2wt9 n ALA 125 N 1.32 2.65 -0.09 5.45 0.00 -1.26 -3.99 120.51 124.58 2wt9 n ALA 125 Ca -0.01 -0.28 -0.12 0.00 0.00 0.00 0.00 53.44 53.03 2wt9 n ALA 125 Cb 0.45 -1.39 -0.10 0.00 0.00 0.00 0.00 19.45 18.40 2wt9 n ALA 125 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 2wt9 n PHE 126 N -0.60 0.00 -3.77 0.00 3.72 -1.26 -4.47 117.46 111.08 2wt9 n PHE 126 Ca 0.22 0.00 -0.13 0.00 -0.05 0.00 0.00 57.45 57.49 2wt9 n PHE 126 Cb 0.19 -0.77 -0.11 0.00 -0.94 0.00 0.00 39.48 37.85 2wt9 n PHE 126 CO 0.00 0.00 0.00 1.41 -0.05 0.00 0.00 176.76 178.12 2wt9 s MET 127 N -2.40 0.38 0.81 -1.08 1.75 -1.26 -2.04 119.30 115.46 2wt9 s MET 127 Ca -0.21 0.33 -0.12 0.00 -1.25 0.00 0.00 55.69 54.44 2wt9 s MET 127 Cb 0.06 0.18 0.08 0.00 2.84 0.00 0.00 34.83 37.99 2wt9 s MET 127 CO 0.52 -0.06 1.15 -1.21 -0.65 0.00 0.00 175.02 174.77 2wt9 s GLU 128 N -0.04 2.01 0.57 4.11 2.02 0.29 -4.28 118.70 123.38 2wt9 s GLU 128 Ca -0.02 0.27 0.29 0.00 0.02 0.00 0.00 54.97 55.53 2wt9 s GLU 128 Cb -0.03 -1.94 1.58 0.00 0.10 0.00 0.00 34.13 33.84 2wt9 s GLU 128 CO 0.01 -1.59 1.87 0.00 0.02 0.00 0.00 175.26 175.57 2wt9 h ALA 129 N -1.06 1.21 -0.00 5.21 0.00 -1.49 0.86 119.26 123.99 2wt9 h ALA 129 Ca -0.47 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.44 2wt9 h ALA 129 Cb 1.31 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.10 2wt9 h ALA 129 CO 0.64 -0.21 -0.04 -0.40 0.00 0.00 0.00 179.25 179.24 2wt9 n ASP 130 N -2.71 0.29 0.00 0.00 3.85 -1.26 -4.87 116.55 111.84 2wt9 n ASP 130 Ca -0.02 -0.65 0.00 0.00 -0.71 0.00 0.00 54.79 53.41 2wt9 n ASP 130 Cb 0.27 -0.10 0.00 0.00 -1.35 0.00 0.00 41.12 39.94 2wt9 n ASP 130 CO 0.00 0.00 0.00 1.41 -1.01 0.00 0.00 177.20 177.60 2wt9 n HIS 131 N -0.97 0.00 0.00 2.11 8.25 0.30 -4.74 115.22 120.17 2wt9 n HIS 131 Ca 0.17 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.63 2wt9 n HIS 131 Cb 0.23 -0.64 0.00 0.00 1.12 0.00 0.00 29.99 30.70 2wt9 n HIS 131 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 2wt9 n THR 132 N -2.51 0.00 -2.41 1.59 -2.24 -1.26 -4.98 114.28 102.47 2wt9 n THR 132 Ca 0.00 0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.35 2wt9 n THR 132 Cb 0.13 -0.18 -0.02 0.00 -2.10 0.00 0.00 70.33 68.16 2wt9 n THR 132 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 2wt9 s THR 133 N -1.30 3.98 0.19 4.28 2.01 -1.26 -4.94 115.64 118.60 2wt9 s THR 133 Ca 0.00 1.01 -0.25 0.00 0.31 0.00 0.00 61.69 62.76 2wt9 s THR 133 Cb 0.00 -4.30 -0.08 0.00 0.01 0.00 0.00 72.50 68.13 2wt9 s THR 133 CO 0.00 -0.81 0.80 -0.04 -0.69 0.00 0.00 174.62 173.88 2wt9 s MET 134 N 4.80 4.55 0.07 4.92 -1.94 -1.26 -0.55 119.30 129.88 2wt9 s MET 134 Ca 0.58 1.16 0.25 0.00 -1.71 0.00 0.00 55.69 55.97 2wt9 s MET 134 Cb -0.12 -3.16 0.56 0.00 2.01 0.00 0.00 34.83 34.12 2wt9 s MET 134 CO 0.32 0.52 1.47 0.25 -0.01 0.00 0.00 175.02 177.57 2wt9 n THR 135 N 1.36 0.19 0.00 2.05 -2.24 -0.87 -4.92 114.28 109.85 2wt9 n THR 135 Ca -0.04 -0.14 0.00 0.00 -2.27 0.00 0.00 64.05 61.60 2wt9 n THR 135 Cb 0.49 -0.07 0.00 0.00 -2.10 0.00 0.00 70.33 68.65 2wt9 n THR 135 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2wt9 n GLY 136 N 1.42 2.59 0.21 3.38 0.00 -1.26 -4.98 105.19 106.55 2wt9 n GLY 136 Ca 0.05 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.99 2wt9 n GLY 136 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2wt9 h LEU 137 N 0.00 0.63 -0.31 0.99 5.85 -1.84 -2.50 115.31 118.12 2wt9 h LEU 137 Ca 0.00 -0.14 0.07 0.00 0.84 0.00 0.00 57.88 58.64 2wt9 h LEU 137 Cb 0.00 -0.16 -0.07 0.00 0.37 0.00 0.00 40.66 40.80 2wt9 h LEU 137 CO 0.00 0.60 -0.12 0.74 -0.34 0.00 0.00 178.44 179.31 2wt9 h THR 138 N 0.62 0.59 -0.36 1.05 2.02 -1.89 0.07 112.91 115.00 2wt9 h THR 138 Ca 0.16 0.00 -0.08 0.00 0.77 0.00 0.00 66.41 67.26 2wt9 h THR 138 Cb 0.14 0.59 -0.02 0.00 -1.74 0.00 0.00 68.15 67.13 2wt9 h THR 138 CO -0.02 0.00 -0.11 1.23 0.37 0.00 0.00 175.52 176.99 2wt9 h GLY 139 N -0.07 0.68 0.69 2.16 0.00 -1.95 0.25 103.07 104.84 2wt9 h GLY 139 Ca 0.16 -0.48 -0.00 0.00 0.00 0.00 0.00 47.33 47.00 2wt9 h GLY 139 CO -0.36 0.45 -0.00 -1.82 0.00 0.00 0.00 176.54 174.81 2wt9 h TYR 140 N 0.58 0.01 -0.25 5.60 5.03 -1.11 -0.52 116.97 126.31 2wt9 h TYR 140 Ca 0.10 -0.00 -0.07 0.00 2.58 0.00 0.00 58.73 61.34 2wt9 h TYR 140 Cb 0.53 -0.00 -0.01 0.00 1.55 0.00 0.00 36.73 38.80 2wt9 h TYR 140 CO 0.02 0.32 -0.13 -0.07 -1.32 0.00 0.00 178.16 176.98 2wt9 h LEU 141 N -0.30 0.55 -0.72 2.82 3.38 -0.61 -2.12 115.31 118.31 2wt9 h LEU 141 Ca 0.00 -0.41 0.01 0.00 0.09 0.00 0.00 57.88 57.57 2wt9 h LEU 141 Cb 0.31 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 40.87 2wt9 h LEU 141 CO 0.00 0.84 0.47 0.11 0.09 0.00 0.00 178.44 179.95 2wt9 h LYS 142 N 0.26 0.93 -1.00 1.13 1.57 -0.95 -1.38 116.57 117.12 2wt9 h LYS 142 Ca 0.06 -0.06 0.04 0.00 -1.87 0.00 0.00 60.65 58.82 2wt9 h LYS 142 Cb 0.64 -0.21 -0.06 0.00 0.08 0.00 0.00 32.23 32.68 2wt9 h LYS 142 CO 0.04 0.61 0.66 1.49 -0.57 0.00 0.00 179.45 181.68 2wt9 h GLU 143 N 0.96 1.22 0.00 3.15 4.81 -0.86 -0.31 114.58 123.54 2wt9 h GLU 143 Ca 0.27 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.43 2wt9 h GLU 143 Cb -0.08 -0.27 0.00 0.00 0.63 0.00 0.00 28.75 29.03 2wt9 h GLU 143 CO -0.07 0.81 0.00 0.54 -0.73 0.00 0.00 179.01 179.55 2wt9 n ARG 144 N -4.45 0.61 -1.00 1.92 1.74 -0.71 -4.90 116.66 109.87 2wt9 n ARG 144 Ca 0.14 0.02 0.00 0.00 -0.77 0.00 0.00 57.85 57.24 2wt9 n ARG 144 Cb 0.11 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.05 2wt9 n ARG 144 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2wt9 n GLY 145 N 0.78 0.43 3.68 -0.13 0.00 -0.13 -4.96 105.19 104.86 2wt9 n GLY 145 Ca 0.16 -1.00 -0.39 0.00 0.00 0.00 0.00 46.02 44.79 2wt9 n GLY 145 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2wt9 s ILE 146 N -2.00 5.11 0.00 -0.61 -1.09 -0.60 -4.34 121.20 117.67 2wt9 s ILE 146 Ca 0.00 1.01 0.00 0.00 -2.23 0.00 0.00 60.65 59.43 2wt9 s ILE 146 Cb 0.00 -3.86 0.00 0.00 -1.58 0.00 0.00 42.46 37.02 2wt9 s ILE 146 CO 0.00 0.21 0.33 -0.90 -1.23 0.00 0.00 174.94 173.35 2wt9 n ASP 147 N 4.47 0.66 -4.03 3.58 5.68 0.26 -4.28 116.55 122.89 2wt9 n ASP 147 Ca -0.05 -0.87 -0.22 0.00 -0.50 0.00 0.00 54.79 53.15 2wt9 n ASP 147 Cb 0.51 0.18 -0.16 0.00 -1.14 0.00 0.00 41.12 40.51 2wt9 n ASP 147 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 2wt9 s THR 148 N -0.18 0.96 -0.09 2.12 2.01 -0.95 -0.78 115.64 118.73 2wt9 s THR 148 Ca 0.00 -0.44 0.01 0.00 0.31 0.00 0.00 61.69 61.57 2wt9 s THR 148 Cb 0.00 -0.86 0.02 0.00 0.01 0.00 0.00 72.50 71.67 2wt9 s THR 148 CO 0.00 0.30 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.44 2wt9 s VAL 149 N 0.29 1.10 -0.15 3.82 1.01 0.77 -1.29 120.40 125.97 2wt9 s VAL 149 Ca -0.06 -0.39 -0.06 0.00 0.00 0.00 0.00 61.98 61.47 2wt9 s VAL 149 Cb -0.11 -1.06 -0.04 0.00 0.00 0.00 0.00 36.38 35.17 2wt9 s VAL 149 CO 0.01 0.37 0.07 -0.31 0.00 0.00 0.00 175.10 175.24 2wt9 s TYR 150 N 1.24 3.32 -0.09 5.22 2.02 -0.41 -1.40 117.35 127.25 2wt9 s TYR 150 Ca -0.03 0.22 0.04 0.00 -0.37 0.00 0.00 57.07 56.93 2wt9 s TYR 150 Cb -0.14 -1.98 -0.01 0.00 -0.40 0.00 0.00 41.96 39.43 2wt9 s TYR 150 CO -0.03 0.37 -0.23 0.08 -1.57 0.00 0.00 175.55 174.17 2wt9 s VAL 151 N -0.25 2.21 0.25 0.71 1.01 0.96 -0.47 120.40 124.82 2wt9 s VAL 151 Ca 0.08 -0.98 0.02 0.00 0.00 0.00 0.00 61.98 61.09 2wt9 s VAL 151 Cb -0.12 -1.84 -0.05 0.00 0.00 0.00 0.00 36.38 34.37 2wt9 s VAL 151 CO 0.01 0.56 0.08 0.68 0.00 0.00 0.00 175.10 176.43 2wt9 s VAL 152 N 0.15 0.62 0.00 2.92 -7.23 -0.70 -1.90 120.40 114.26 2wt9 s VAL 152 Ca -0.12 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.05 2wt9 s VAL 152 Cb -0.16 -2.57 0.00 0.00 0.56 0.00 0.00 36.38 34.21 2wt9 s VAL 152 CO 0.07 -0.07 0.00 0.61 -0.31 0.00 0.00 175.10 175.40 2wt9 n GLY 153 N -0.45 0.23 3.07 2.32 0.00 -0.59 -0.85 105.19 108.92 2wt9 n GLY 153 Ca -0.01 -2.03 -0.13 0.00 0.00 0.00 0.00 46.02 43.86 2wt9 n GLY 153 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2wt9 s ILE 154 N 0.00 -0.01 -0.02 -0.61 1.01 -0.15 -2.24 121.20 119.17 2wt9 s ILE 154 Ca 0.00 0.04 -0.13 0.00 0.00 0.00 0.00 60.65 60.55 2wt9 s ILE 154 Cb 0.00 -0.30 -0.05 0.00 0.01 0.00 0.00 42.46 42.12 2wt9 s ILE 154 CO 0.00 0.02 0.36 0.00 0.00 0.00 0.00 174.94 175.32 2wt9 s ALA 155 N 0.38 3.73 0.32 9.38 0.00 -1.26 -4.41 121.76 129.90 2wt9 s ALA 155 Ca -0.02 -0.29 0.08 0.00 0.00 0.00 0.00 51.96 51.72 2wt9 s ALA 155 Cb -0.04 -2.31 0.90 0.00 0.00 0.00 0.00 23.12 21.67 2wt9 s ALA 155 CO -0.02 0.51 1.63 1.15 0.00 0.00 0.00 175.76 179.03 2wt9 h THR 156 N 3.73 0.22 -0.02 0.00 2.02 -1.30 0.34 112.91 117.90 2wt9 h THR 156 Ca -0.52 -0.06 0.00 0.00 0.77 0.00 0.00 66.41 66.60 2wt9 h THR 156 Cb 1.22 0.03 0.00 0.00 -1.74 0.00 0.00 68.15 67.66 2wt9 h THR 156 CO 0.61 0.03 -0.02 -0.90 0.37 0.00 0.00 175.52 175.61 2wt9 n ASP 157 N -5.23 1.86 0.00 4.18 5.75 -1.26 -1.14 116.55 120.71 2wt9 n ASP 157 Ca 0.27 -1.60 0.00 0.00 -0.01 0.00 0.00 54.79 53.45 2wt9 n ASP 157 Cb 0.86 0.01 0.00 0.00 -1.03 0.00 0.00 41.12 40.96 2wt9 n ASP 157 CO 0.00 0.00 0.00 0.49 -0.11 0.00 0.00 177.20 177.58 2wt9 n PHE 158 N 0.43 0.00 -0.00 2.11 3.72 -0.60 -4.67 117.46 118.45 2wt9 n PHE 158 Ca 0.17 0.00 -0.05 0.00 -0.05 0.00 0.00 57.45 57.52 2wt9 n PHE 158 Cb 0.42 0.00 0.16 0.00 -0.94 0.00 0.00 39.48 39.12 2wt9 n PHE 158 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2wt9 h VAL 160 N 0.46 1.27 -0.26 0.00 2.07 -1.14 -2.07 116.25 116.57 2wt9 h VAL 160 Ca 0.06 -1.07 0.03 0.00 0.82 0.00 0.00 66.70 66.54 2wt9 h VAL 160 Cb 0.74 1.97 -0.03 0.00 -1.52 0.00 0.00 31.29 32.44 2wt9 h VAL 160 CO 0.06 0.27 0.07 0.00 0.02 0.00 0.00 177.57 177.98 2wt9 h ALA 161 N 0.38 0.28 -0.14 1.67 0.00 -0.91 -0.28 119.26 120.26 2wt9 h ALA 161 Ca -0.01 0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.83 2wt9 h ALA 161 Cb 0.48 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 2wt9 h ALA 161 CO 0.01 -0.35 -0.40 -1.49 0.00 0.00 0.00 179.25 177.02 2wt9 h TRP 162 N 0.18 0.36 -0.24 0.00 4.06 -1.10 -0.82 115.95 118.39 2wt9 h TRP 162 Ca 0.12 -0.10 -0.00 0.00 2.06 0.00 0.00 58.89 60.97 2wt9 h TRP 162 Cb 0.11 -0.08 -0.01 0.00 -1.00 0.00 0.00 29.16 28.18 2wt9 h TRP 162 CO -0.15 0.67 0.13 1.15 -3.56 0.00 0.00 178.44 176.68 2wt9 h THR 163 N 0.26 1.12 -0.46 1.49 2.02 -1.09 -0.88 112.91 115.37 2wt9 h THR 163 Ca 0.02 -0.31 -0.05 0.00 0.77 0.00 0.00 66.41 66.85 2wt9 h THR 163 Cb 0.83 0.89 -0.02 0.00 -1.74 0.00 0.00 68.15 68.10 2wt9 h THR 163 CO 0.07 0.11 0.11 0.00 0.37 0.00 0.00 175.52 176.17 2wt9 h ALA 164 N 1.01 0.61 -0.38 6.16 0.00 -0.61 -0.74 119.26 125.31 2wt9 h ALA 164 Ca 0.08 -0.21 -0.13 0.00 0.00 0.00 0.00 54.91 54.66 2wt9 h ALA 164 Cb 0.07 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 2wt9 h ALA 164 CO -0.01 0.30 -0.27 -0.07 0.00 0.00 0.00 179.25 179.19 2wt9 h LEU 165 N 0.62 0.89 -1.04 0.00 3.38 -1.16 -1.74 115.31 116.27 2wt9 h LEU 165 Ca 0.14 -0.44 -0.08 0.00 0.09 0.00 0.00 57.88 57.59 2wt9 h LEU 165 Cb 0.33 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 2wt9 h LEU 165 CO 0.00 1.14 -0.19 0.44 0.09 0.00 0.00 178.44 179.92 2wt9 h ASP 166 N 0.65 0.45 -0.47 -0.43 3.32 -1.04 -1.77 116.42 117.12 2wt9 h ASP 166 Ca 0.07 -0.13 -0.01 0.00 0.02 0.00 0.00 57.03 56.98 2wt9 h ASP 166 Cb 0.85 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 40.25 2wt9 h ASP 166 CO 0.07 0.66 0.27 0.00 -1.72 0.00 0.00 179.24 178.52 2wt9 h ALA 167 N 1.38 0.61 -0.72 3.45 0.00 -0.52 -0.62 119.26 122.84 2wt9 h ALA 167 Ca 0.07 -0.08 0.07 0.00 0.00 0.00 0.00 54.91 54.97 2wt9 h ALA 167 Cb 0.58 -0.19 -0.06 0.00 0.00 0.00 0.00 17.79 18.12 2wt9 h ALA 167 CO 0.04 0.12 0.40 0.28 0.00 0.00 0.00 179.25 180.09 2wt9 h VAL 168 N 0.63 0.96 0.00 0.00 2.07 -1.12 -1.75 116.25 117.03 2wt9 h VAL 168 Ca 0.17 -0.25 -0.04 0.00 0.82 0.00 0.00 66.70 67.40 2wt9 h VAL 168 Cb 0.03 0.17 -0.01 0.00 -1.52 0.00 0.00 31.29 29.96 2wt9 h VAL 168 CO -0.03 0.13 -0.21 0.11 0.02 0.00 0.00 177.57 177.60 2wt9 h LYS 169 N 0.72 0.00 -0.01 1.57 1.57 -0.59 -2.28 116.57 117.55 2wt9 h LYS 169 Ca 0.33 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.11 2wt9 h LYS 169 Cb 0.23 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.54 2wt9 h LYS 169 CO -0.20 0.21 -0.14 1.04 -0.57 0.00 0.00 179.45 179.79 2wt9 n GLN 170 N -3.47 1.11 0.00 3.15 1.13 -0.31 -4.98 117.38 114.01 2wt9 n GLN 170 Ca -0.00 -0.60 0.00 0.00 -1.94 0.00 0.00 57.00 54.46 2wt9 n GLN 170 Cb 0.38 -1.49 0.00 0.00 0.11 0.00 0.00 30.24 29.24 2wt9 n GLN 170 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2wt9 n GLY 171 N 1.26 0.82 3.77 1.08 0.00 -0.79 -5.07 105.19 106.26 2wt9 n GLY 171 Ca 0.15 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.78 2wt9 n GLY 171 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2wt9 s PHE 172 N -2.00 3.91 0.09 1.61 0.08 -0.73 -5.00 117.98 115.94 2wt9 s PHE 172 Ca 0.00 1.75 -0.31 0.00 0.12 0.00 0.00 56.93 58.49 2wt9 s PHE 172 Cb 0.00 -2.86 -0.09 0.00 -0.57 0.00 0.00 43.02 39.50 2wt9 s PHE 172 CO 0.00 0.45 1.65 0.15 -0.10 0.00 0.00 175.22 177.37 2wt9 s LYS 173 N -1.30 4.20 -0.11 0.44 1.02 0.04 -4.22 119.74 119.81 2wt9 s LYS 173 Ca 0.40 2.35 0.02 0.00 0.02 0.00 0.00 55.97 58.75 2wt9 s LYS 173 Cb -0.23 -3.52 0.02 0.00 -0.52 0.00 0.00 37.83 33.57 2wt9 s LYS 173 CO 0.28 -0.72 -0.15 0.99 -0.92 0.00 0.00 175.35 174.83 2wt9 s THR 174 N 2.40 1.46 0.07 2.17 2.01 -1.26 -0.16 115.64 122.33 2wt9 s THR 174 Ca 0.74 -0.62 0.09 0.00 0.31 0.00 0.00 61.69 62.21 2wt9 s THR 174 Cb -0.41 -1.34 -0.03 0.00 0.01 0.00 0.00 72.50 70.73 2wt9 s THR 174 CO 0.32 0.43 -0.24 -0.76 -0.69 0.00 0.00 174.62 173.69 2wt9 s LEU 175 N 1.01 2.22 -0.10 4.42 1.02 -0.50 -0.59 118.68 126.16 2wt9 s LEU 175 Ca -0.06 -0.62 0.03 0.00 0.02 0.00 0.00 54.13 53.49 2wt9 s LEU 175 Cb -0.15 -1.12 -0.01 0.00 0.02 0.00 0.00 46.19 44.93 2wt9 s LEU 175 CO -0.02 0.18 -0.19 -0.69 0.02 0.00 0.00 176.35 175.66 2wt9 s VAL 176 N -0.91 2.56 -0.73 -1.59 1.01 -0.26 -0.03 120.40 120.45 2wt9 s VAL 176 Ca 0.10 -0.85 -0.16 0.00 0.00 0.00 0.00 61.98 61.07 2wt9 s VAL 176 Cb -0.10 -2.02 0.17 0.00 0.00 0.00 0.00 36.38 34.44 2wt9 s VAL 176 CO 0.03 0.55 0.72 -0.63 0.00 0.00 0.00 175.10 175.77 2wt9 s ILE 177 N 0.17 5.32 0.20 2.22 1.01 -0.80 -1.95 121.20 127.38 2wt9 s ILE 177 Ca -0.11 -1.93 -0.11 0.00 0.00 0.00 0.00 60.65 58.50 2wt9 s ILE 177 Cb -0.16 -4.47 0.16 0.00 0.01 0.00 0.00 42.46 38.01 2wt9 s ILE 177 CO 0.06 -1.04 1.68 -0.08 0.00 0.00 0.00 174.94 175.56 2wt9 h GLU 178 N 8.37 0.16 0.00 2.79 4.81 -1.01 -0.40 114.58 129.29 2wt9 h GLU 178 Ca -0.05 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.17 2wt9 h GLU 178 Cb 1.06 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.41 2wt9 h GLU 178 CO 0.91 0.10 0.00 -0.40 -0.73 0.00 0.00 179.01 178.89 2wt9 n ASP 179 N -5.22 0.00 -1.16 1.04 3.85 -1.26 -2.14 116.55 111.67 2wt9 n ASP 179 Ca 0.08 -0.83 0.04 0.00 -0.71 0.00 0.00 54.79 53.37 2wt9 n ASP 179 Cb 0.32 -0.01 0.26 0.00 -1.35 0.00 0.00 41.12 40.34 2wt9 n ASP 179 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 2wt9 n ALA 180 N -1.01 3.53 -2.45 2.12 0.00 -0.16 -4.81 120.51 117.72 2wt9 n ALA 180 Ca 0.20 -2.46 -0.15 0.00 0.00 0.00 0.00 53.44 51.03 2wt9 n ALA 180 Cb 0.10 -0.82 -0.11 0.00 0.00 0.00 0.00 19.45 18.62 2wt9 n ALA 180 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wt9 s LYS 182 N -2.90 0.07 0.36 0.00 2.47 -0.95 -4.92 119.74 113.87 2wt9 s LYS 182 Ca 0.08 0.17 0.07 0.00 -1.56 0.00 0.00 55.97 54.73 2wt9 s LYS 182 Cb -0.02 -0.04 -0.02 0.00 -1.46 0.00 0.00 37.83 36.29 2wt9 s LYS 182 CO 0.01 -0.06 0.39 0.20 0.16 0.00 0.00 175.35 176.04 2wt9 s GLY 183 N 0.41 1.82 -0.22 5.54 0.00 -1.26 -1.11 107.32 112.50 2wt9 s GLY 183 Ca -0.03 -1.65 0.04 0.00 0.00 0.00 0.00 44.72 43.08 2wt9 s GLY 183 CO -0.02 -1.54 -0.07 1.39 0.00 0.00 0.00 173.10 172.86 2wt9 n ILE 184 N -1.53 1.51 -3.27 0.90 5.41 -1.26 -4.82 119.36 116.29 2wt9 n ILE 184 Ca 0.01 -0.64 -0.07 0.00 1.00 0.00 0.00 62.75 63.05 2wt9 n ILE 184 Cb 0.60 -1.28 0.00 0.00 -0.71 0.00 0.00 39.64 38.25 2wt9 n ILE 184 CO 0.00 0.00 0.00 -0.67 0.00 0.00 0.00 176.55 175.88 2wt9 n ASP 185 N -3.19 -6.95 -4.60 4.38 2.03 -1.26 -4.99 116.55 101.97 2wt9 n ASP 185 Ca -0.41 -0.33 -0.41 0.00 0.52 0.00 0.00 54.79 54.16 2wt9 n ASP 185 Cb 1.03 -4.27 -0.06 0.00 -0.72 0.00 0.00 41.12 37.09 2wt9 n ASP 185 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 2wt9 s LEU 186 N -4.29 4.15 -1.46 -2.67 1.43 -1.26 -4.44 118.68 110.14 2wt9 s LEU 186 Ca 0.00 0.43 -0.05 0.00 -1.03 0.00 0.00 54.13 53.48 2wt9 s LEU 186 Cb -0.00 -2.84 0.04 0.00 0.03 0.00 0.00 46.19 43.42 2wt9 s LEU 186 CO 0.79 -0.50 0.62 0.59 0.23 0.00 0.00 176.35 178.08 2wt9 n ASN 187 N 5.92 -1.64 0.00 2.29 5.03 -1.26 -1.96 115.26 123.63 2wt9 n ASN 187 Ca -0.01 -0.94 0.00 0.00 0.87 0.00 0.00 54.58 54.51 2wt9 n ASN 187 Cb 0.49 -3.32 0.00 0.00 -1.02 0.00 0.00 39.78 35.92 2wt9 n ASN 187 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2wt9 n GLY 188 N -1.76 0.56 0.20 7.41 0.00 -1.26 -4.94 105.19 105.40 2wt9 n GLY 188 Ca -0.19 -0.08 0.01 0.00 0.00 0.00 0.00 46.02 45.75 2wt9 n GLY 188 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2wt9 h SER 189 N 0.00 0.13 0.67 1.61 4.64 -1.67 -2.64 113.55 116.29 2wt9 h SER 189 Ca 0.00 -0.05 -0.03 0.00 -0.47 0.00 0.00 61.79 61.24 2wt9 h SER 189 Cb 0.00 -0.04 0.01 0.00 -0.31 0.00 0.00 62.40 62.06 2wt9 h SER 189 CO 0.00 0.47 -0.32 0.25 -0.87 0.00 0.00 176.83 176.36 2wt9 h LEU 190 N 0.12 -0.76 -1.30 5.97 5.85 -1.89 -0.03 115.31 123.27 2wt9 h LEU 190 Ca 0.01 -0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.72 2wt9 h LEU 190 Cb 0.65 0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.85 2wt9 h LEU 190 CO 0.05 -0.43 0.39 -0.08 -0.34 0.00 0.00 178.44 178.04 2wt9 h GLU 191 N -1.10 0.87 -0.33 1.25 4.57 -1.99 -1.87 114.58 115.97 2wt9 h GLU 191 Ca -0.09 -0.07 -0.11 0.00 -1.18 0.00 0.00 59.36 57.91 2wt9 h GLU 191 Cb 0.72 -0.19 -0.01 0.00 -0.16 0.00 0.00 28.75 29.11 2wt9 h GLU 191 CO 0.15 0.60 -0.24 0.37 -1.18 0.00 0.00 179.01 178.71 2wt9 h GLN 192 N 0.89 0.66 -0.42 1.92 5.75 -1.43 -1.82 115.11 120.66 2wt9 h GLN 192 Ca 0.23 -0.26 -0.08 0.00 -0.15 0.00 0.00 58.65 58.39 2wt9 h GLN 192 Cb -0.05 -0.03 -0.02 0.00 1.07 0.00 0.00 27.48 28.45 2wt9 h GLN 192 CO -0.05 0.84 -0.08 0.00 -2.65 0.00 0.00 178.83 176.90 2wt9 h ALA 193 N 1.16 1.09 -0.36 3.38 0.00 -0.42 -0.60 119.26 123.51 2wt9 h ALA 193 Ca 0.08 -0.29 -0.06 0.00 0.00 0.00 0.00 54.91 54.64 2wt9 h ALA 193 Cb 0.72 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 2wt9 h ALA 193 CO 0.06 0.57 -0.01 -1.49 0.00 0.00 0.00 179.25 178.37 2wt9 h TRP 194 N 0.66 0.70 -0.62 0.00 4.06 -1.07 -0.86 115.95 118.81 2wt9 h TRP 194 Ca 0.12 -0.12 -0.09 0.00 2.06 0.00 0.00 58.89 60.85 2wt9 h TRP 194 Cb 0.52 -0.18 -0.02 0.00 -1.00 0.00 0.00 29.16 28.48 2wt9 h TRP 194 CO 0.02 0.75 0.02 1.96 -3.56 0.00 0.00 178.44 177.64 2wt9 h GLN 195 N 0.45 1.08 -0.41 0.49 4.20 -0.86 0.16 115.11 120.21 2wt9 h GLN 195 Ca 0.10 -0.33 -0.05 0.00 0.06 0.00 0.00 58.65 58.43 2wt9 h GLN 195 Cb 0.48 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 28.14 2wt9 h GLN 195 CO 0.02 1.04 0.06 1.15 -0.67 0.00 0.00 178.83 180.43 2wt9 h THR 196 N 0.99 1.24 -0.64 -0.54 2.02 -1.09 -0.54 112.91 114.35 2wt9 h THR 196 Ca 0.18 -0.89 -0.00 0.00 0.77 0.00 0.00 66.41 66.46 2wt9 h THR 196 Cb 0.53 1.03 -0.03 0.00 -1.74 0.00 0.00 68.15 67.94 2wt9 h THR 196 CO 0.03 0.31 0.40 0.24 0.37 0.00 0.00 175.52 176.86 2wt9 h MET 197 N 0.54 0.87 -0.58 6.66 2.86 -0.79 -1.52 114.93 122.97 2wt9 h MET 197 Ca 0.12 -0.07 -0.11 0.00 -2.06 0.00 0.00 59.70 57.58 2wt9 h MET 197 Cb 0.39 -0.18 -0.02 0.00 0.06 0.00 0.00 31.60 31.84 2wt9 h MET 197 CO 0.01 0.61 -0.05 0.37 1.06 0.00 0.00 176.91 178.91 2wt9 h GLN 198 N 0.87 1.06 -0.80 1.72 4.15 -0.58 -1.06 115.11 120.46 2wt9 h GLN 198 Ca 0.23 -0.36 0.03 0.00 0.77 0.00 0.00 58.65 59.32 2wt9 h GLN 198 Cb -0.04 -0.08 -0.04 0.00 0.21 0.00 0.00 27.48 27.52 2wt9 h GLN 198 CO -0.04 1.06 0.53 1.96 -1.93 0.00 0.00 178.83 180.41 2wt9 h GLN 199 N 0.95 0.97 -0.37 1.69 4.20 -0.83 -2.74 115.11 118.98 2wt9 h GLN 199 Ca 0.16 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.81 2wt9 h GLN 199 Cb 0.62 -0.22 0.00 0.00 0.30 0.00 0.00 27.48 28.18 2wt9 h GLN 199 CO 0.04 0.64 0.00 1.04 -0.67 0.00 0.00 178.83 179.88 2wt9 n GLN 200 N -4.45 1.87 -1.04 1.46 1.13 -0.60 -4.91 117.38 110.85 2wt9 n GLN 200 Ca 0.10 -1.36 -0.01 0.00 -1.94 0.00 0.00 57.00 53.79 2wt9 n GLN 200 Cb 0.10 -1.30 -0.01 0.00 0.11 0.00 0.00 30.24 29.15 2wt9 n GLN 200 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2wt9 n GLY 201 N 1.10 0.49 3.71 1.08 0.00 -1.01 -5.01 105.19 105.56 2wt9 n GLY 201 Ca 0.13 -0.89 -0.42 0.00 0.00 0.00 0.00 46.02 44.84 2wt9 n GLY 201 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wt9 s VAL 202 N -2.04 2.81 -0.19 1.61 1.01 -0.45 -4.74 120.40 118.41 2wt9 s VAL 202 Ca 0.00 0.49 -0.28 0.00 0.00 0.00 0.00 61.98 62.19 2wt9 s VAL 202 Cb 0.00 -3.32 -0.00 0.00 0.00 0.00 0.00 36.38 33.06 2wt9 s VAL 202 CO 0.00 0.02 0.98 -0.69 0.00 0.00 0.00 175.10 175.41 2wt9 s VAL 203 N 1.67 4.75 -0.52 2.92 1.01 0.24 -4.46 120.40 126.02 2wt9 s VAL 203 Ca 0.71 1.93 -0.23 0.00 0.00 0.00 0.00 61.98 64.39 2wt9 s VAL 203 Cb -0.42 -4.27 0.04 0.00 0.00 0.00 0.00 36.38 31.73 2wt9 s VAL 203 CO 0.31 -0.09 0.87 -0.60 0.00 0.00 0.00 175.10 175.59 2wt9 s ARG 204 N 2.68 3.34 0.37 2.72 3.52 -1.26 -1.11 118.95 129.21 2wt9 s ARG 204 Ca 0.44 -0.28 0.06 0.00 -0.13 0.00 0.00 55.73 55.82 2wt9 s ARG 204 Cb -0.16 -4.02 -0.07 0.00 -1.56 0.00 0.00 34.95 29.13 2wt9 s ARG 204 CO 0.10 -1.35 0.02 0.96 -0.81 0.00 0.00 175.30 174.22 2wt9 s ILE 205 N 3.63 1.73 0.22 4.11 -4.36 -0.82 -4.99 121.20 120.72 2wt9 s ILE 205 Ca 0.29 -2.01 0.09 0.00 -0.26 0.00 0.00 60.65 58.75 2wt9 s ILE 205 Cb -0.13 -2.89 -0.04 0.00 1.25 0.00 0.00 42.46 40.65 2wt9 s ILE 205 CO 0.20 -0.02 -0.01 -1.10 0.24 0.00 0.00 174.94 174.24 2wt9 s GLN 206 N -3.77 2.31 0.40 0.37 -1.52 -1.26 -0.35 119.66 115.84 2wt9 s GLN 206 Ca 0.35 -1.28 0.11 0.00 -1.95 0.00 0.00 55.36 52.59 2wt9 s GLN 206 Cb 0.09 -2.24 0.85 0.00 -0.22 0.00 0.00 33.01 31.49 2wt9 s GLN 206 CO 0.17 0.41 1.94 0.66 -0.25 0.00 0.00 175.29 178.22 2wt9 h SER 207 N 2.32 0.18 0.41 5.90 4.64 -1.95 0.60 113.55 125.65 2wt9 h SER 207 Ca -0.46 -0.03 -0.01 0.00 -0.47 0.00 0.00 61.79 60.82 2wt9 h SER 207 Cb 1.23 -0.05 -0.00 0.00 -0.31 0.00 0.00 62.40 63.27 2wt9 h SER 207 CO 0.58 0.33 -0.07 0.00 -0.87 0.00 0.00 176.83 176.80 2wt9 h THR 208 N 0.18 0.32 -0.07 2.95 1.03 -1.95 0.27 112.91 115.63 2wt9 h THR 208 Ca 0.04 -0.40 -0.13 0.00 -0.01 0.00 0.00 66.41 65.91 2wt9 h THR 208 Cb 0.34 1.29 -0.01 0.00 -1.07 0.00 0.00 68.15 68.70 2wt9 h THR 208 CO 0.02 0.06 -0.55 0.44 -0.01 0.00 0.00 175.52 175.48 2wt9 h ASP 209 N 0.00 0.23 0.23 0.00 3.32 -1.28 -3.24 116.42 115.68 2wt9 h ASP 209 Ca -0.00 -0.12 -0.35 0.00 0.02 0.00 0.00 57.03 56.58 2wt9 h ASP 209 Cb 0.29 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 39.76 2wt9 h ASP 209 CO 0.01 0.74 -1.85 0.25 -1.72 0.00 0.00 179.24 176.67 2wt9 h LEU 210 N 0.16 0.41 0.00 1.55 5.85 -1.36 -3.50 115.31 118.43 2wt9 h LEU 210 Ca 0.00 -0.79 0.00 0.00 0.84 0.00 0.00 57.88 57.93 2wt9 h LEU 210 Cb 1.02 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.92 2wt9 h LEU 210 CO 0.08 1.69 0.00 0.18 -0.34 0.00 0.00 178.44 180.05