#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2fg0 s LEU 14 N 0.00 -0.31 0.00 -5.58 2.96 -1.26 -4.83 118.68 109.65 2fg0 s LEU 14 Ca 0.00 0.50 0.00 0.00 -0.22 0.00 0.00 54.13 54.41 2fg0 s LEU 14 Cb 0.00 1.46 0.00 0.00 0.50 0.00 0.00 46.19 48.15 2fg0 s LEU 14 CO 0.00 -0.08 0.00 0.61 -1.32 0.00 0.00 176.35 175.56 2fg0 n GLY 15 N 3.41 -0.35 3.72 7.98 0.00 -0.65 -4.93 105.19 114.38 2fg0 n GLY 15 Ca -0.18 -2.05 -0.38 0.00 0.00 0.00 0.00 46.02 43.41 2fg0 n GLY 15 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2fg0 s GLU 16 N 0.00 4.30 0.21 1.61 2.12 -1.26 -0.09 118.70 125.59 2fg0 s GLU 16 Ca 0.00 0.34 0.05 0.00 0.36 0.00 0.00 54.97 55.73 2fg0 s GLU 16 Cb 0.00 -3.45 -0.05 0.00 0.26 0.00 0.00 34.13 30.89 2fg0 s GLU 16 CO 0.00 0.14 -0.07 0.71 -0.54 0.00 0.00 175.26 175.50 2fg0 s TYR 17 N 0.71 1.56 0.05 5.30 1.51 0.22 -1.86 117.35 124.84 2fg0 s TYR 17 Ca 0.23 -0.78 0.08 0.00 -1.01 0.00 0.00 57.07 55.60 2fg0 s TYR 17 Cb -0.15 -0.84 -0.03 0.00 -0.11 0.00 0.00 41.96 40.83 2fg0 s TYR 17 CO 0.09 0.12 -0.22 1.14 -1.11 0.00 0.00 175.55 175.56 2fg0 s GLN 18 N -3.77 1.91 0.09 -0.62 -2.07 -0.12 -0.08 119.66 115.01 2fg0 s GLN 18 Ca 0.24 -1.06 -0.30 0.00 -1.82 0.00 0.00 55.36 52.42 2fg0 s GLN 18 Cb 0.03 -2.08 -0.05 0.00 -1.09 0.00 0.00 33.01 29.82 2fg0 s GLN 18 CO 0.06 0.52 0.97 0.00 -1.32 0.00 0.00 175.29 175.52 2fg0 n LEU 20 N 2.97 1.93 -3.81 0.00 4.77 0.73 -0.21 117.00 123.39 2fg0 n LEU 20 Ca 0.03 -0.67 -0.09 0.00 -0.03 0.00 0.00 56.01 55.25 2fg0 n LEU 20 Cb 0.49 -0.03 -0.05 0.00 -2.33 0.00 0.00 43.42 41.51 2fg0 n LEU 20 CO 0.51 0.35 0.20 0.00 -1.33 0.00 0.00 177.39 177.13 2fg0 s ALA 21 N -2.35 -0.69 0.00 -1.18 0.00 -1.26 -4.88 121.76 111.40 2fg0 s ALA 21 Ca 0.23 -0.41 -0.30 0.00 0.00 0.00 0.00 51.96 51.48 2fg0 s ALA 21 Cb 0.19 0.86 -0.07 0.00 0.00 0.00 0.00 23.12 24.11 2fg0 s ALA 21 CO 0.49 -0.78 1.62 -0.51 0.00 0.00 0.00 175.76 176.58 2fg0 s ASP 22 N -2.90 6.67 -0.02 0.00 1.01 -1.26 -3.70 116.67 116.46 2fg0 s ASP 22 Ca 0.12 2.32 0.05 0.00 0.71 0.00 0.00 52.55 55.75 2fg0 s ASP 22 Cb -0.00 -2.55 -0.03 0.00 1.01 0.00 0.00 42.92 41.35 2fg0 s ASP 22 CO -0.01 -0.88 -0.16 -0.76 0.21 0.00 0.00 175.17 173.57 2fg0 s LEU 23 N 3.25 2.65 -0.01 1.23 1.43 -0.03 -4.93 118.68 122.28 2fg0 s LEU 23 Ca 0.72 -0.27 -0.25 0.00 -1.03 0.00 0.00 54.13 53.30 2fg0 s LEU 23 Cb -0.36 -1.54 -0.04 0.00 0.03 0.00 0.00 46.19 44.28 2fg0 s LEU 23 CO 0.30 0.32 0.76 0.20 0.23 0.00 0.00 176.35 178.16 2fg0 s ASN 24 N -0.92 7.12 -0.09 2.29 0.01 -1.26 -0.11 114.94 121.99 2fg0 s ASN 24 Ca 0.12 1.35 0.01 0.00 -0.71 0.00 0.00 52.86 53.63 2fg0 s ASN 24 Cb -0.11 -2.45 -0.03 0.00 0.41 0.00 0.00 41.25 39.08 2fg0 s ASN 24 CO 0.02 -0.07 -0.09 -0.76 -1.51 0.00 0.00 177.10 174.68 2fg0 s LEU 25 N 0.45 3.00 0.30 0.60 1.02 -0.37 -4.62 118.68 119.07 2fg0 s LEU 25 Ca 0.39 -0.13 0.09 0.00 0.02 0.00 0.00 54.13 54.51 2fg0 s LEU 25 Cb -0.19 -1.66 -0.04 0.00 0.02 0.00 0.00 46.19 44.32 2fg0 s LEU 25 CO 0.21 0.30 0.06 -0.36 0.02 0.00 0.00 176.35 176.58 2fg0 s PHE 26 N -0.44 2.71 -2.34 0.29 0.08 0.00 0.18 117.98 118.47 2fg0 s PHE 26 Ca 0.06 -0.28 0.24 0.00 0.12 0.00 0.00 56.93 57.07 2fg0 s PHE 26 Cb -0.12 -1.37 0.97 0.00 -0.57 0.00 0.00 43.02 41.93 2fg0 s PHE 26 CO 0.02 0.51 1.69 -0.40 -0.10 0.00 0.00 175.22 176.94 2fg0 n ASP 27 N -1.00 1.39 -3.63 1.36 5.68 -0.18 -0.92 116.55 119.25 2fg0 n ASP 27 Ca -0.05 -1.56 -0.10 0.00 -0.50 0.00 0.00 54.79 52.58 2fg0 n ASP 27 Cb 0.60 -0.05 -0.04 0.00 -1.14 0.00 0.00 41.12 40.49 2fg0 n ASP 27 CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 2fg0 s SER 28 N -1.78 -0.31 0.55 -1.12 1.04 -1.26 -4.93 113.70 105.89 2fg0 s SER 28 Ca 0.35 -0.31 0.37 0.00 0.48 0.00 0.00 55.95 56.84 2fg0 s SER 28 Cb 0.19 0.54 1.92 0.00 0.10 0.00 0.00 66.02 68.77 2fg0 s SER 28 CO 0.30 -0.95 2.12 -0.65 0.98 0.00 0.00 173.24 175.04 2fg0 h PRO 29 N 2.23 0.00 0.00 4.02 0.11 -1.90 -1.23 132.00 135.22 2fg0 h PRO 29 Ca -0.32 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.79 2fg0 h PRO 29 Cb 1.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 2fg0 h PRO 29 CO 0.41 0.00 0.00 0.93 -0.21 0.00 0.00 178.00 179.13 2fg0 h GLU 30 N 0.00 0.00 -6.00 1.05 3.07 -1.96 -3.40 114.58 107.34 2fg0 h GLU 30 Ca 0.00 0.00 -0.41 0.00 -0.50 0.00 0.00 59.36 58.45 2fg0 h GLU 30 Cb 0.09 0.00 0.07 0.00 -0.84 0.00 0.00 28.75 28.07 2fg0 h GLU 30 CO 0.00 0.00 -0.75 0.00 -1.40 0.00 0.00 179.01 176.86 2fg0 n THR 32 N -4.59 0.18 -3.77 0.00 -2.24 -1.26 -4.93 114.28 97.67 2fg0 n THR 32 Ca -0.11 -0.44 -0.14 0.00 -2.27 0.00 0.00 64.05 61.09 2fg0 n THR 32 Cb 0.60 0.01 -0.15 0.00 -2.10 0.00 0.00 70.33 68.68 2fg0 n THR 32 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 2fg0 s ARG 33 N -3.40 0.02 0.11 -0.78 3.52 -1.26 -5.08 118.95 112.08 2fg0 s ARG 33 Ca -0.03 0.26 -0.30 0.00 -0.13 0.00 0.00 55.73 55.52 2fg0 s ARG 33 Cb 0.13 -0.21 -0.06 0.00 -1.56 0.00 0.00 34.95 33.25 2fg0 s ARG 33 CO 0.86 -0.16 1.15 -1.17 -0.81 0.00 0.00 175.30 175.17 2fg0 s LEU 34 N 1.06 4.42 -0.27 -0.88 2.96 -1.26 -1.01 118.68 123.70 2fg0 s LEU 34 Ca -0.09 2.04 -0.10 0.00 -0.22 0.00 0.00 54.13 55.77 2fg0 s LEU 34 Cb -0.12 -3.59 -0.14 0.00 0.50 0.00 0.00 46.19 42.84 2fg0 s LEU 34 CO -0.04 -0.36 -0.27 0.00 -1.32 0.00 0.00 176.35 174.37 2fg0 n ALA 35 N 3.22 1.23 -3.77 5.97 0.00 0.13 -4.32 120.51 122.97 2fg0 n ALA 35 Ca 0.06 -1.06 -0.09 0.00 0.00 0.00 0.00 53.44 52.36 2fg0 n ALA 35 Cb 0.46 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.94 2fg0 n ALA 35 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 2fg0 s THR 36 N -2.50 0.00 -0.02 0.00 -1.32 -1.05 -4.47 115.64 106.28 2fg0 s THR 36 Ca -0.37 -1.02 0.02 0.00 -1.21 0.00 0.00 61.69 59.11 2fg0 s THR 36 Cb 0.13 -2.87 0.00 0.00 -1.51 0.00 0.00 72.50 68.24 2fg0 s THR 36 CO 0.54 0.00 -0.07 -1.10 -2.21 0.00 0.00 174.62 171.77 2fg0 s GLN 37 N -2.34 0.71 -0.39 7.08 -0.21 -1.23 -1.23 119.66 122.06 2fg0 s GLN 37 Ca 0.16 -0.25 -0.11 0.00 0.02 0.00 0.00 55.36 55.17 2fg0 s GLN 37 Cb -0.05 -0.69 0.04 0.00 1.00 0.00 0.00 33.01 33.31 2fg0 s GLN 37 CO 0.12 0.12 0.24 0.45 -2.12 0.00 0.00 175.29 174.09 2fg0 s SER 38 N 0.06 5.77 0.54 5.90 0.15 0.85 -4.61 113.70 122.35 2fg0 s SER 38 Ca -0.00 -1.12 -0.22 0.00 0.70 0.00 0.00 55.95 55.30 2fg0 s SER 38 Cb -0.06 -2.04 -0.05 0.00 -1.71 0.00 0.00 66.02 62.16 2fg0 s SER 38 CO -0.00 -0.44 1.34 0.00 1.20 0.00 0.00 173.24 175.33 2fg0 n ALA 39 N 5.01 1.51 -1.65 5.45 0.00 -1.26 -0.85 120.51 128.71 2fg0 n ALA 39 Ca -0.11 0.13 -0.45 0.00 0.00 0.00 0.00 53.44 53.01 2fg0 n ALA 39 Cb 0.45 -2.34 -0.03 0.00 0.00 0.00 0.00 19.45 17.54 2fg0 n ALA 39 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2fg0 n SER 40 N -0.88 2.44 0.00 0.00 2.88 -1.24 -1.36 113.62 115.46 2fg0 n SER 40 Ca 0.10 1.15 0.00 0.00 -1.33 0.00 0.00 58.87 58.79 2fg0 n SER 40 Cb 0.44 -1.39 0.00 0.00 -0.75 0.00 0.00 64.21 62.51 2fg0 n SER 40 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2fg0 n GLY 41 N 1.97 3.43 3.75 0.46 0.00 0.71 -4.97 105.19 110.54 2fg0 n GLY 41 Ca 0.11 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.82 2fg0 n GLY 41 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2fg0 s ARG 42 N -0.86 2.12 -0.07 1.61 0.52 -0.46 -4.58 118.95 117.23 2fg0 s ARG 42 Ca 0.00 1.26 -0.04 0.00 -0.52 0.00 0.00 55.73 56.43 2fg0 s ARG 42 Cb 0.00 -1.87 -0.04 0.00 0.52 0.00 0.00 34.95 33.56 2fg0 s ARG 42 CO 0.00 -1.76 0.14 -1.01 0.02 0.00 0.00 175.30 172.69 2fg0 s HIS 43 N -2.79 3.51 0.03 -0.53 3.76 -1.26 -0.76 115.29 117.25 2fg0 s HIS 43 Ca 0.63 0.41 -0.02 0.00 -0.15 0.00 0.00 55.06 55.93 2fg0 s HIS 43 Cb -0.19 -1.87 -0.02 0.00 1.11 0.00 0.00 32.58 31.61 2fg0 s HIS 43 CO 0.55 0.67 0.00 -0.48 -0.85 0.00 0.00 174.74 174.63 2fg0 s LEU 44 N -1.39 2.16 -0.25 0.89 0.05 0.89 -0.93 118.68 120.09 2fg0 s LEU 44 Ca 0.20 -0.59 -0.10 0.00 0.05 0.00 0.00 54.13 53.69 2fg0 s LEU 44 Cb -0.12 0.25 -0.05 0.00 -2.05 0.00 0.00 46.19 44.22 2fg0 s LEU 44 CO 0.10 -0.40 0.15 0.86 -0.55 0.00 0.00 176.35 176.50 2fg0 s TRP 45 N -2.16 3.23 -0.24 3.48 -0.11 0.57 -0.61 118.94 123.10 2fg0 s TRP 45 Ca -0.09 0.05 -0.14 0.00 1.22 0.00 0.00 56.10 57.13 2fg0 s TRP 45 Cb -0.05 -2.29 -0.04 0.00 -1.50 0.00 0.00 33.47 29.59 2fg0 s TRP 45 CO -0.03 -0.10 0.32 0.08 -4.62 0.00 0.00 176.95 172.60 2fg0 s VAL 46 N 1.38 5.24 0.67 5.86 1.01 0.87 -1.40 120.40 134.02 2fg0 s VAL 46 Ca 0.07 0.50 -0.03 0.00 0.00 0.00 0.00 61.98 62.51 2fg0 s VAL 46 Cb -0.15 -3.65 0.07 0.00 0.00 0.00 0.00 36.38 32.66 2fg0 s VAL 46 CO 0.07 0.24 0.94 0.42 0.00 0.00 0.00 175.10 176.77 2fg0 s THR 47 N 1.55 2.37 -2.06 3.92 -4.23 -0.67 -1.63 115.64 114.89 2fg0 s THR 47 Ca 0.14 -0.46 0.26 0.00 -1.18 0.00 0.00 61.69 60.46 2fg0 s THR 47 Cb -0.15 -2.91 0.72 0.00 1.34 0.00 0.00 72.50 71.50 2fg0 s THR 47 CO 0.08 0.00 1.97 -1.54 -0.54 0.00 0.00 174.62 174.59 2fg0 n SER 48 N -2.75 0.23 -4.50 3.99 3.41 -1.26 -4.75 113.62 107.99 2fg0 n SER 48 Ca 0.10 -1.23 -0.43 0.00 -0.26 0.00 0.00 58.87 57.05 2fg0 n SER 48 Cb 0.60 -0.01 -0.02 0.00 -0.26 0.00 0.00 64.21 64.53 2fg0 n SER 48 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 2fg0 s ASN 49 N -1.83 6.74 -0.04 4.04 2.47 -1.26 -4.98 114.94 120.07 2fg0 s ASN 49 Ca 0.39 -2.20 -0.16 0.00 0.42 0.00 0.00 52.86 51.32 2fg0 s ASN 49 Cb 0.19 -2.47 -0.05 0.00 -1.45 0.00 0.00 41.25 37.46 2fg0 s ASN 49 CO 0.31 -1.11 0.42 -1.00 -3.72 0.00 0.00 177.10 172.00 2fg0 s HIS 50 N 3.25 3.65 -0.19 0.43 3.76 -1.26 -1.47 115.29 123.46 2fg0 s HIS 50 Ca 0.42 0.94 -0.12 0.00 -0.15 0.00 0.00 55.06 56.16 2fg0 s HIS 50 Cb -0.02 -2.37 0.06 0.00 1.11 0.00 0.00 32.58 31.36 2fg0 s HIS 50 CO -0.04 0.48 0.47 -0.65 -0.85 0.00 0.00 174.74 174.15 2fg0 s GLN 51 N -0.51 0.48 7.56 1.40 -0.21 0.44 -5.00 119.66 123.82 2fg0 s GLN 51 Ca 0.24 0.85 0.00 0.00 0.02 0.00 0.00 55.36 56.47 2fg0 s GLN 51 Cb -0.16 0.05 0.00 0.00 1.00 0.00 0.00 33.01 33.90 2fg0 s GLN 51 CO 0.12 -0.14 0.00 -1.71 -2.12 0.00 0.00 175.29 171.44 2fg0 n ASN 52 N 4.06 0.00 -2.22 5.90 2.85 -1.26 -1.88 115.26 122.70 2fg0 n ASN 52 Ca -0.21 0.00 -0.28 0.00 -0.11 0.00 0.00 54.58 53.98 2fg0 n ASN 52 Cb 0.56 0.00 0.03 0.00 1.24 0.00 0.00 39.78 41.61 2fg0 n ASN 52 CO 0.00 0.00 0.00 0.18 -2.11 0.00 0.00 177.26 175.33 2fg0 n LEU 53 N 0.00 5.66 -3.96 1.20 4.77 -1.26 -5.00 117.00 118.40 2fg0 n LEU 53 Ca 0.00 -4.74 -0.10 0.00 -0.03 0.00 0.00 56.01 51.15 2fg0 n LEU 53 Cb 0.00 -0.54 -0.07 0.00 -2.33 0.00 0.00 43.42 40.48 2fg0 n LEU 53 CO 0.00 1.97 -0.03 0.00 -1.33 0.00 0.00 177.39 178.00 2fg0 s ALA 54 N -3.67 0.03 0.03 -1.18 0.00 -0.79 -1.22 121.76 114.96 2fg0 s ALA 54 Ca 0.54 -0.90 0.04 0.00 0.00 0.00 0.00 51.96 51.64 2fg0 s ALA 54 Cb 0.43 0.85 -0.02 0.00 0.00 0.00 0.00 23.12 24.39 2fg0 s ALA 54 CO -0.04 -0.64 -0.13 0.54 0.00 0.00 0.00 175.76 175.49 2fg0 s VAL 55 N -3.97 1.03 0.12 0.00 0.11 -0.15 -0.42 120.40 117.12 2fg0 s VAL 55 Ca 0.17 -0.91 -0.30 0.00 -2.93 0.00 0.00 61.98 58.01 2fg0 s VAL 55 Cb 0.03 -0.93 -0.06 0.00 -1.53 0.00 0.00 36.38 33.89 2fg0 s VAL 55 CO -0.00 0.02 1.12 -0.70 -3.33 0.00 0.00 175.10 172.20 2fg0 s GLU 56 N -1.02 4.54 0.26 1.54 2.12 -0.54 -0.79 118.70 124.82 2fg0 s GLU 56 Ca 0.01 1.70 0.02 0.00 0.36 0.00 0.00 54.97 57.06 2fg0 s GLU 56 Cb -0.07 -3.32 -0.05 0.00 0.26 0.00 0.00 34.13 30.94 2fg0 s GLU 56 CO 0.01 -0.05 0.09 0.14 -0.54 0.00 0.00 175.26 174.91 2fg0 s VAL 57 N 0.34 0.66 0.02 3.70 -7.23 0.24 -1.66 120.40 116.47 2fg0 s VAL 57 Ca 0.53 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.70 2fg0 s VAL 57 Cb -0.28 -2.64 -0.02 0.00 0.56 0.00 0.00 36.38 34.01 2fg0 s VAL 57 CO 0.32 -0.02 -0.03 -0.72 -0.31 0.00 0.00 175.10 174.34 2fg0 s TYR 58 N -3.68 0.25 0.20 2.82 -0.85 -0.50 -1.31 117.35 114.28 2fg0 s TYR 58 Ca 0.37 -0.42 -0.28 0.00 -0.52 0.00 0.00 57.07 56.22 2fg0 s TYR 58 Cb 0.08 -0.18 -0.08 0.00 0.38 0.00 0.00 41.96 42.16 2fg0 s TYR 58 CO 0.13 -0.14 0.89 -0.51 -1.52 0.00 0.00 175.55 174.40 2fg0 s LEU 59 N -1.17 4.61 0.27 -3.49 1.43 0.11 -0.32 118.68 120.12 2fg0 s LEU 59 Ca -0.12 1.83 0.04 0.00 -1.03 0.00 0.00 54.13 54.84 2fg0 s LEU 59 Cb -0.08 -3.50 0.38 0.00 0.03 0.00 0.00 46.19 43.02 2fg0 s LEU 59 CO -0.01 0.14 1.66 0.00 0.23 0.00 0.00 176.35 178.38 2fg0 h GLU 61 N 0.28 0.00 0.00 0.00 3.07 -1.94 -3.35 114.58 112.64 2fg0 h GLU 61 Ca 0.02 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.88 2fg0 h GLU 61 Cb 0.85 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.76 2fg0 h GLU 61 CO 0.07 0.49 0.00 -0.40 -1.40 0.00 0.00 179.01 177.77 2fg0 n ASP 62 N -3.19 0.98 -1.63 1.42 5.68 -1.24 -4.69 116.55 113.88 2fg0 n ASP 62 Ca 0.01 -1.45 -0.17 0.00 -0.50 0.00 0.00 54.79 52.67 2fg0 n ASP 62 Cb 0.75 0.00 -0.06 0.00 -1.14 0.00 0.00 41.12 40.67 2fg0 n ASP 62 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 2fg0 n ASP 63 N -0.23 -4.60 -4.69 -1.12 8.00 -0.32 -4.71 116.55 108.89 2fg0 n ASP 63 Ca 0.00 0.37 -0.42 0.00 0.71 0.00 0.00 54.79 55.46 2fg0 n ASP 63 Cb 0.33 -4.10 -0.03 0.00 -0.02 0.00 0.00 41.12 37.30 2fg0 n ASP 63 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 2fg0 s TYR 64 N -2.51 3.52 0.24 1.24 5.04 -1.20 -4.65 117.35 119.02 2fg0 s TYR 64 Ca 0.00 1.48 -0.07 0.00 -2.44 0.00 0.00 57.07 56.04 2fg0 s TYR 64 Cb 0.00 -3.09 -0.06 0.00 0.35 0.00 0.00 41.96 39.16 2fg0 s TYR 64 CO 0.00 -0.16 0.54 -1.25 -1.34 0.00 0.00 175.55 173.33 2fg0 s PRO 65 N 1.76 3.72 -0.00 4.97 0.04 -1.26 -0.71 135.00 143.51 2fg0 s PRO 65 Ca 0.45 0.14 -0.07 0.00 0.04 0.00 0.00 61.00 61.57 2fg0 s PRO 65 Cb -0.18 -2.66 0.02 0.00 0.04 0.00 0.00 34.50 31.72 2fg0 s PRO 65 CO 0.18 0.29 0.30 0.41 0.04 0.00 0.00 177.00 178.22 2fg0 n GLY 66 N -0.41 0.59 3.22 0.56 0.00 -0.43 -4.94 105.19 103.79 2fg0 n GLY 66 Ca -0.01 -0.89 -0.32 0.00 0.00 0.00 0.00 46.02 44.80 2fg0 n GLY 66 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2fg0 s TRP 67 N -3.05 2.55 -0.12 1.61 0.52 -0.10 -0.59 118.94 119.77 2fg0 s TRP 67 Ca 0.07 -1.02 -0.00 0.00 0.02 0.00 0.00 56.10 55.17 2fg0 s TRP 67 Cb -0.00 -1.70 -0.02 0.00 -1.15 0.00 0.00 33.47 30.60 2fg0 s TRP 67 CO -0.00 -0.40 -0.10 -1.17 0.02 0.00 0.00 176.95 175.30 2fg0 s LEU 68 N 0.29 2.93 0.40 2.99 2.96 0.03 -0.82 118.68 127.48 2fg0 s LEU 68 Ca -0.17 -0.21 -0.27 0.00 -0.22 0.00 0.00 54.13 53.26 2fg0 s LEU 68 Cb -0.18 -1.66 -0.09 0.00 0.50 0.00 0.00 46.19 44.76 2fg0 s LEU 68 CO 0.08 0.22 1.40 -0.55 -1.32 0.00 0.00 176.35 176.18 2fg0 s SER 69 N 0.03 6.22 0.53 3.68 0.15 -1.26 -0.98 113.70 122.09 2fg0 s SER 69 Ca -0.03 2.86 0.23 0.00 0.70 0.00 0.00 55.95 59.71 2fg0 s SER 69 Cb -0.14 -2.65 1.47 0.00 -1.71 0.00 0.00 66.02 62.99 2fg0 s SER 69 CO 0.04 -0.93 2.15 -0.07 1.20 0.00 0.00 173.24 175.62 2fg0 h LEU 70 N 2.73 0.00 -1.56 3.45 3.38 -1.50 -0.88 115.31 120.93 2fg0 h LEU 70 Ca -0.50 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.47 2fg0 h LEU 70 Cb 1.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.00 2fg0 h LEU 70 CO 0.63 0.06 0.00 0.77 0.09 0.00 0.00 178.44 179.99 2fg0 h SER 71 N 0.00 0.00 -0.23 -0.43 4.64 -1.90 -1.63 113.55 114.00 2fg0 h SER 71 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2fg0 h SER 71 Cb 0.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.21 2fg0 h SER 71 CO 0.01 0.00 0.00 0.47 -0.87 0.00 0.00 176.83 176.44 2fg0 n ASP 72 N -2.52 2.08 0.24 4.97 8.00 -0.34 -4.31 116.55 124.69 2fg0 n ASP 72 Ca -0.01 -1.80 0.07 0.00 0.71 0.00 0.00 54.79 53.77 2fg0 n ASP 72 Cb 0.12 -0.15 0.59 0.00 -0.02 0.00 0.00 41.12 41.67 2fg0 n ASP 72 CO 0.00 0.00 0.00 -0.26 -0.39 0.00 0.00 177.20 176.55 2fg0 h PHE 73 N 2.71 0.00 0.00 1.24 -1.00 -1.42 -1.22 116.94 117.26 2fg0 h PHE 73 Ca 0.00 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 2fg0 h PHE 73 Cb 0.60 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.16 2fg0 h PHE 73 CO 0.15 0.11 0.00 -0.44 -1.61 0.00 0.00 178.31 176.52 2fg0 h ASP 74 N 0.00 0.00 -0.56 2.17 5.19 -1.81 -1.78 116.42 119.62 2fg0 h ASP 74 Ca -0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 2fg0 h ASP 74 Cb 0.21 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.72 2fg0 h ASP 74 CO 0.01 0.00 0.00 -1.20 -3.12 0.00 0.00 179.24 174.93 2fg0 n SER 75 N -2.66 3.40 -4.51 6.45 7.64 -0.46 -4.88 113.62 118.60 2fg0 n SER 75 Ca 0.00 -2.12 -0.33 0.00 1.01 0.00 0.00 58.87 57.42 2fg0 n SER 75 Cb 0.19 -0.43 -0.12 0.00 -1.01 0.00 0.00 64.21 62.84 2fg0 n SER 75 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2fg0 s LEU 76 N -1.20 3.01 -0.09 -3.43 1.43 -0.67 -0.19 118.68 117.54 2fg0 s LEU 76 Ca 0.40 -0.13 0.02 0.00 -1.03 0.00 0.00 54.13 53.38 2fg0 s LEU 76 Cb 0.22 -1.67 0.02 0.00 0.03 0.00 0.00 46.19 44.79 2fg0 s LEU 76 CO 0.24 0.29 -0.13 -1.58 0.23 0.00 0.00 176.35 175.40 2fg0 s GLN 77 N -0.36 1.93 0.30 1.70 0.74 -0.45 -4.94 119.66 118.59 2fg0 s GLN 77 Ca 0.05 -0.46 -0.30 0.00 0.05 0.00 0.00 55.36 54.70 2fg0 s GLN 77 Cb -0.12 -1.67 -0.12 0.00 1.10 0.00 0.00 33.01 32.19 2fg0 s GLN 77 CO 0.02 -0.06 1.45 -2.30 -0.55 0.00 0.00 175.29 173.85 2fg0 n PRO 78 N 4.18 2.36 -2.68 1.67 -0.02 -1.26 -0.94 135.00 138.30 2fg0 n PRO 78 Ca -0.19 0.83 -0.42 0.00 -2.02 0.00 0.00 63.50 61.70 2fg0 n PRO 78 Cb 0.51 -2.53 -0.03 0.00 -0.02 0.00 0.00 33.50 31.43 2fg0 n PRO 78 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2fg0 s ALA 79 N -0.40 3.21 -0.47 3.55 0.00 -0.78 -4.73 121.76 122.14 2fg0 s ALA 79 Ca 0.62 0.59 0.19 0.00 0.00 0.00 0.00 51.96 53.36 2fg0 s ALA 79 Cb -0.56 -3.33 -0.26 0.00 0.00 0.00 0.00 23.12 18.97 2fg0 s ALA 79 CO 0.54 -0.19 0.63 0.25 0.00 0.00 0.00 175.76 176.99 2fg0 n THR 80 N 3.50 0.00 -4.02 0.00 -2.24 -1.26 -4.82 114.28 105.44 2fg0 n THR 80 Ca 0.05 -0.25 -0.31 0.00 -2.27 0.00 0.00 64.05 61.27 2fg0 n THR 80 Cb 0.50 0.53 -0.16 0.00 -2.10 0.00 0.00 70.33 69.10 2fg0 n THR 80 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 2fg0 s VAL 81 N -3.08 1.74 0.49 2.28 1.01 -1.26 -5.12 120.40 116.46 2fg0 s VAL 81 Ca 0.00 -1.05 -0.20 0.00 0.00 0.00 0.00 61.98 60.73 2fg0 s VAL 81 Cb 0.14 -1.78 -0.08 0.00 0.00 0.00 0.00 36.38 34.65 2fg0 s VAL 81 CO 0.80 0.20 1.03 -2.16 0.00 0.00 0.00 175.10 174.98 2fg0 s PRO 82 N 1.36 3.78 0.21 2.72 0.04 -1.26 -4.96 135.00 136.88 2fg0 s PRO 82 Ca -0.01 1.32 -0.31 0.00 0.04 0.00 0.00 61.00 62.04 2fg0 s PRO 82 Cb -0.16 -2.09 -0.10 0.00 0.04 0.00 0.00 34.50 32.18 2fg0 s PRO 82 CO -0.08 -0.44 1.52 -0.47 0.04 0.00 0.00 177.00 177.56 2fg0 s TYR 83 N -2.05 3.03 -0.06 0.56 5.04 -1.26 -5.00 117.35 117.60 2fg0 s TYR 83 Ca 0.66 0.80 0.00 0.00 -2.44 0.00 0.00 57.07 56.10 2fg0 s TYR 83 Cb -0.16 -3.89 0.02 0.00 0.35 0.00 0.00 41.96 38.28 2fg0 s TYR 83 CO 0.21 -3.13 -0.04 -0.65 -1.34 0.00 0.00 175.55 170.61 2fg0 s GLN 84 N 0.43 0.89 0.21 4.97 -1.52 -1.26 -5.10 119.66 118.27 2fg0 s GLN 84 Ca 0.65 -0.08 -0.30 0.00 -1.95 0.00 0.00 55.36 53.68 2fg0 s GLN 84 Cb -0.43 -0.97 -0.08 0.00 -0.22 0.00 0.00 33.01 31.30 2fg0 s GLN 84 CO 0.37 -0.15 1.16 0.00 -0.25 0.00 0.00 175.29 176.43 2fg0 s ALA 85 N 1.23 3.42 0.58 6.09 0.00 -1.26 -5.01 121.76 126.82 2fg0 s ALA 85 Ca -0.06 0.93 -0.14 0.00 0.00 0.00 0.00 51.96 52.68 2fg0 s ALA 85 Cb -0.14 -3.39 -0.05 0.00 0.00 0.00 0.00 23.12 19.55 2fg0 s ALA 85 CO -0.02 -0.31 1.02 0.00 0.00 0.00 0.00 175.76 176.46 2fg0 s ALA 86 N -0.35 2.93 -0.15 0.00 0.00 -1.26 -5.06 121.76 117.87 2fg0 s ALA 86 Ca 0.50 0.17 -0.03 0.00 0.00 0.00 0.00 51.96 52.61 2fg0 s ALA 86 Cb -0.32 -3.15 -0.02 0.00 0.00 0.00 0.00 23.12 19.63 2fg0 s ALA 86 CO 0.38 -0.62 -0.06 0.99 0.00 0.00 0.00 175.76 176.45 2fg0 s THR 87 N -2.75 3.67 -0.11 0.00 2.01 -1.26 -4.80 115.64 112.40 2fg0 s THR 87 Ca 0.59 -0.44 0.04 0.00 0.31 0.00 0.00 61.69 62.19 2fg0 s THR 87 Cb -0.12 -2.59 0.00 0.00 0.01 0.00 0.00 72.50 69.80 2fg0 s THR 87 CO 0.41 0.50 -0.23 -0.36 -0.69 0.00 0.00 174.62 174.25 2fg0 s PHE 88 N 0.35 2.51 0.78 4.92 0.40 -1.26 -5.05 117.98 120.62 2fg0 s PHE 88 Ca -0.06 -1.08 -0.11 0.00 -0.60 0.00 0.00 56.93 55.09 2fg0 s PHE 88 Cb -0.15 -1.69 0.06 0.00 0.51 0.00 0.00 43.02 41.75 2fg0 s PHE 88 CO 0.04 -0.45 1.09 -1.54 0.70 0.00 0.00 175.22 175.05 2fg0 s SER 89 N 0.46 4.51 0.41 1.36 1.04 -1.26 -4.47 113.70 115.74 2fg0 s SER 89 Ca -0.16 1.70 0.14 0.00 0.48 0.00 0.00 55.95 58.10 2fg0 s SER 89 Cb -0.17 -2.43 0.86 0.00 0.10 0.00 0.00 66.02 64.37 2fg0 s SER 89 CO 0.06 -2.01 1.90 -0.08 0.98 0.00 0.00 173.24 174.09 2fg0 h GLU 90 N -1.11 0.00 -0.35 4.02 4.81 -1.94 -1.19 114.58 118.82 2fg0 h GLU 90 Ca -0.45 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 58.76 2fg0 h GLU 90 Cb 1.24 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.60 2fg0 h GLU 90 CO 0.53 0.29 0.14 1.03 -0.73 0.00 0.00 179.01 180.27 2fg0 h SER 91 N 0.00 0.48 -0.82 1.04 0.87 -1.93 -0.19 113.55 113.01 2fg0 h SER 91 Ca -0.00 -0.17 -0.03 0.00 -1.23 0.00 0.00 61.79 60.36 2fg0 h SER 91 Cb 0.52 -0.13 -0.04 0.00 -0.44 0.00 0.00 62.40 62.31 2fg0 h SER 91 CO 0.04 0.52 0.39 -0.33 -0.53 0.00 0.00 176.83 176.92 2fg0 h GLU 92 N 0.41 1.19 -0.08 2.24 5.08 -1.78 -2.35 114.58 119.28 2fg0 h GLU 92 Ca 0.12 -0.18 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 2fg0 h GLU 92 Cb 0.19 -0.21 -0.00 0.00 0.50 0.00 0.00 28.75 29.23 2fg0 h GLU 92 CO -0.01 0.92 0.05 0.82 -1.00 0.00 0.00 179.01 179.79 2fg0 h ILE 93 N 1.17 1.03 -0.93 3.13 2.04 -1.10 -3.00 117.51 119.85 2fg0 h ILE 93 Ca 0.28 -0.08 0.11 0.00 1.00 0.00 0.00 64.86 66.17 2fg0 h ILE 93 Cb 0.12 0.94 -0.07 0.00 -0.74 0.00 0.00 36.82 37.07 2fg0 h ILE 93 CO -0.04 0.03 0.60 0.50 0.00 0.00 0.00 178.15 179.24 2fg0 h LYS 94 N 0.10 0.89 0.00 2.37 1.63 -0.61 0.18 116.57 121.13 2fg0 h LYS 94 Ca 0.03 -0.05 -0.01 0.00 -0.85 0.00 0.00 60.65 59.77 2fg0 h LYS 94 Cb 0.01 -0.20 -0.00 0.00 -0.60 0.00 0.00 32.23 31.43 2fg0 h LYS 94 CO -0.01 0.59 -0.04 0.87 -3.45 0.00 0.00 179.45 177.41 2fg0 h LYS 95 N 0.92 0.00 -0.01 1.90 1.57 -1.29 -2.86 116.57 116.80 2fg0 h LYS 95 Ca 0.44 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.22 2fg0 h LYS 95 Cb 0.45 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.76 2fg0 h LYS 95 CO -0.21 0.04 -0.63 1.28 -0.57 0.00 0.00 179.45 179.37 2fg0 n LEU 96 N -3.39 1.44 0.11 2.94 4.77 0.04 -4.43 117.00 118.48 2fg0 n LEU 96 Ca -0.02 -0.55 0.03 0.00 -0.03 0.00 0.00 56.01 55.44 2fg0 n LEU 96 Cb 0.18 -0.04 0.41 0.00 -2.33 0.00 0.00 43.42 41.64 2fg0 n LEU 96 CO 0.26 0.29 0.93 -0.07 -1.33 0.00 0.00 177.39 177.47 2fg0 h LEU 97 N 1.27 0.24 -0.96 2.23 3.38 -1.34 -1.72 115.31 118.42 2fg0 h LEU 97 Ca 0.00 -0.04 0.02 0.00 0.09 0.00 0.00 57.88 57.95 2fg0 h LEU 97 Cb 0.62 -0.06 -0.05 0.00 0.09 0.00 0.00 40.66 41.26 2fg0 h LEU 97 CO 0.00 0.36 0.63 0.00 0.09 0.00 0.00 178.44 179.52 2fg0 h ALA 98 N 1.67 1.23 -0.09 1.53 0.00 -1.80 -0.61 119.26 121.20 2fg0 h ALA 98 Ca 0.05 -0.06 -0.12 0.00 0.00 0.00 0.00 54.91 54.78 2fg0 h ALA 98 Cb 0.31 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 2fg0 h ALA 98 CO 0.02 0.58 -0.49 0.93 0.00 0.00 0.00 179.25 180.28 2fg0 h GLU 99 N 1.27 0.22 -0.07 0.00 5.08 -1.64 -1.09 114.58 118.36 2fg0 h GLU 99 Ca 0.36 -0.12 -0.01 0.00 -1.00 0.00 0.00 59.36 58.59 2fg0 h GLU 99 Cb -0.10 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.15 2fg0 h GLU 99 CO -0.09 0.67 0.00 0.28 -1.00 0.00 0.00 179.01 178.87 2fg0 h VAL 100 N 0.18 1.24 -0.51 3.13 2.07 -0.83 -1.71 116.25 119.82 2fg0 h VAL 100 Ca 0.01 -0.75 -0.00 0.00 0.82 0.00 0.00 66.70 66.78 2fg0 h VAL 100 Cb 0.93 1.62 -0.02 0.00 -1.52 0.00 0.00 31.29 32.30 2fg0 h VAL 100 CO 0.07 0.21 0.32 0.40 0.02 0.00 0.00 177.57 178.59 2fg0 h ILE 101 N -0.16 1.15 -0.76 4.57 2.04 -1.05 -2.64 117.51 120.66 2fg0 h ILE 101 Ca 0.02 -0.33 0.04 0.00 1.00 0.00 0.00 64.86 65.59 2fg0 h ILE 101 Cb 0.33 0.45 -0.04 0.00 -0.74 0.00 0.00 36.82 36.81 2fg0 h ILE 101 CO 0.00 0.15 0.50 0.00 0.00 0.00 0.00 178.15 178.80 2fg0 h ALA 102 N 1.16 1.57 -0.61 1.87 0.00 -1.16 -0.75 119.26 121.33 2fg0 h ALA 102 Ca 0.18 -0.03 0.03 0.00 0.00 0.00 0.00 54.91 55.09 2fg0 h ALA 102 Cb -0.03 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 17.47 2fg0 h ALA 102 CO -0.04 0.35 0.38 0.35 0.00 0.00 0.00 179.25 180.29 2fg0 h PHE 103 N 0.91 0.71 -0.27 0.00 3.04 -0.95 -0.16 116.94 120.21 2fg0 h PHE 103 Ca 0.31 0.02 -0.12 0.00 3.98 0.00 0.00 57.97 62.15 2fg0 h PHE 103 Cb 0.08 -0.23 -0.01 0.00 2.56 0.00 0.00 35.95 38.35 2fg0 h PHE 103 CO -0.00 0.41 -0.35 1.79 -2.02 0.00 0.00 178.31 178.14 2fg0 h THR 104 N 0.74 1.29 -0.35 4.41 1.35 -0.96 -0.47 112.91 118.93 2fg0 h THR 104 Ca 0.24 -1.48 -0.14 0.00 -0.55 0.00 0.00 66.41 64.48 2fg0 h THR 104 Cb 0.01 1.45 -0.01 0.00 -1.73 0.00 0.00 68.15 67.88 2fg0 h THR 104 CO -0.10 0.47 -0.34 -0.61 -0.25 0.00 0.00 175.52 174.69 2fg0 h GLN 105 N 0.51 0.85 -0.70 4.72 5.75 -0.79 -2.77 115.11 122.67 2fg0 h GLN 105 Ca 0.05 -0.45 0.04 0.00 -0.15 0.00 0.00 58.65 58.15 2fg0 h GLN 105 Cb 0.84 0.02 -0.05 0.00 1.07 0.00 0.00 27.48 29.36 2fg0 h GLN 105 CO 0.07 1.08 0.42 -0.22 -2.65 0.00 0.00 178.83 177.54 2fg0 h LYS 106 N 0.64 0.79 -1.93 1.69 3.64 -0.87 -2.88 116.57 117.65 2fg0 h LYS 106 Ca 0.06 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 2fg0 h LYS 106 Cb 0.93 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 32.57 2fg0 h LYS 106 CO 0.09 0.52 0.00 0.00 -2.27 0.00 0.00 179.45 177.79 2fg0 n ALA 107 N -2.32 1.84 0.00 5.00 0.00 -0.20 -3.36 120.51 121.47 2fg0 n ALA 107 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.52 2fg0 n ALA 107 Cb 0.11 -1.50 0.00 0.00 0.00 0.00 0.00 19.45 18.07 2fg0 n ALA 107 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2fg0 n GLN 109 N 1.51 0.00 -3.47 0.00 1.13 -1.09 -4.75 117.38 110.71 2fg0 n GLN 109 Ca 0.00 0.00 -0.32 0.00 -1.94 0.00 0.00 57.00 54.74 2fg0 n GLN 109 Cb 0.09 0.00 -0.05 0.00 0.11 0.00 0.00 30.24 30.39 2fg0 n GLN 109 CO 0.00 0.00 0.00 -0.65 -1.44 0.00 0.00 177.06 174.97 2fg0 s GLN 110 N 0.00 3.75 0.17 -1.09 -1.52 -1.21 -5.03 119.66 114.72 2fg0 s GLN 110 Ca 0.00 0.18 -0.33 0.00 -1.95 0.00 0.00 55.36 53.26 2fg0 s GLN 110 Cb 0.00 -2.69 -0.13 0.00 -0.22 0.00 0.00 33.01 29.97 2fg0 s GLN 110 CO 0.00 0.35 1.67 0.43 -0.25 0.00 0.00 175.29 177.48 2fg0 n SER 111 N -0.13 3.53 -3.60 5.90 7.64 -1.26 -4.96 113.62 120.73 2fg0 n SER 111 Ca -0.00 1.06 -0.16 0.00 1.01 0.00 0.00 58.87 60.78 2fg0 n SER 111 Cb 0.52 -1.49 -0.07 0.00 -1.01 0.00 0.00 64.21 62.16 2fg0 n SER 111 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2fg0 s ASN 112 N 1.29 -0.50 0.24 6.43 2.20 -1.26 -4.78 114.94 118.55 2fg0 s ASN 112 Ca 0.78 0.50 0.02 0.00 -0.94 0.00 0.00 52.86 53.22 2fg0 s ASN 112 Cb -0.60 0.46 -0.05 0.00 -2.00 0.00 0.00 41.25 39.06 2fg0 s ASN 112 CO 0.36 -0.56 0.06 -0.72 -2.94 0.00 0.00 177.10 173.30 2fg0 s TYR 113 N -1.25 1.50 0.04 1.54 -0.85 -1.26 -4.66 117.35 112.41 2fg0 s TYR 113 Ca -0.12 -1.08 -0.30 0.00 -0.52 0.00 0.00 57.07 55.04 2fg0 s TYR 113 Cb -0.02 -0.88 -0.05 0.00 0.38 0.00 0.00 41.96 41.39 2fg0 s TYR 113 CO 0.08 -0.23 1.14 -0.47 -1.52 0.00 0.00 175.55 174.55 2fg0 s TYR 114 N -3.64 3.48 -0.14 -3.49 5.04 -1.22 -3.46 117.35 113.92 2fg0 s TYR 114 Ca 0.33 1.39 -0.03 0.00 -2.44 0.00 0.00 57.07 56.33 2fg0 s TYR 114 Cb 0.07 -3.35 0.05 0.00 0.35 0.00 0.00 41.96 39.08 2fg0 s TYR 114 CO 0.11 -0.96 0.04 -1.17 -1.34 0.00 0.00 175.55 172.22 2fg0 s LEU 115 N 1.12 0.68 0.16 6.97 2.96 -0.87 -4.94 118.68 124.76 2fg0 s LEU 115 Ca 0.57 -0.45 -0.32 0.00 -0.22 0.00 0.00 54.13 53.71 2fg0 s LEU 115 Cb -0.27 -0.41 -0.10 0.00 0.50 0.00 0.00 46.19 45.91 2fg0 s LEU 115 CO 0.28 -0.28 1.61 0.26 -1.32 0.00 0.00 176.35 176.90 2fg0 s TRP 116 N 2.00 2.96 0.00 5.38 0.52 -1.26 -0.61 118.94 127.93 2fg0 s TRP 116 Ca 0.02 0.54 0.00 0.00 0.02 0.00 0.00 56.10 56.68 2fg0 s TRP 116 Cb -0.15 -3.97 0.00 0.00 -1.15 0.00 0.00 33.47 28.20 2fg0 s TRP 116 CO -0.07 -3.64 0.00 0.41 0.02 0.00 0.00 176.95 173.67 2fg0 n GLY 117 N 3.82 1.28 3.65 0.98 0.00 -1.26 -4.68 105.19 108.99 2fg0 n GLY 117 Ca 0.14 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.74 2fg0 n GLY 117 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2fg0 s GLY 118 N -1.81 1.47 0.00 -0.02 0.00 0.22 -3.48 107.32 103.70 2fg0 s GLY 118 Ca 0.00 0.72 0.00 0.00 0.00 0.00 0.00 44.72 45.44 2fg0 s GLY 118 CO 0.00 2.92 0.00 2.41 0.00 0.00 0.00 173.10 178.43 2fg0 n THR 119 N 5.71 0.00 0.30 0.90 -1.04 -1.26 -2.47 114.28 116.43 2fg0 n THR 119 Ca 0.17 0.00 0.11 0.00 -2.04 0.00 0.00 64.05 62.29 2fg0 n THR 119 Cb 0.44 -0.15 -0.09 0.00 -1.82 0.00 0.00 70.33 68.71 2fg0 n THR 119 CO 0.00 0.00 0.00 1.33 -0.64 0.00 0.00 175.07 175.76 2fg0 n VAL 120 N -0.71 0.13 0.00 12.58 0.24 -1.26 -4.62 118.33 124.68 2fg0 n VAL 120 Ca 0.00 -0.37 0.00 0.00 -2.04 0.00 0.00 64.34 61.93 2fg0 n VAL 120 Cb 0.08 0.15 0.00 0.00 -1.47 0.00 0.00 33.84 32.60 2fg0 n VAL 120 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2fg0 n GLY 121 N 1.31 0.86 0.02 7.63 0.00 -1.26 -4.94 105.19 108.81 2fg0 n GLY 121 Ca -0.01 -1.70 0.13 0.00 0.00 0.00 0.00 46.02 44.45 2fg0 n GLY 121 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2fg0 n PRO 122 N 0.97 0.06 -3.44 1.61 -0.04 -1.26 -5.03 135.00 127.87 2fg0 n PRO 122 Ca 0.00 0.04 -0.40 0.00 -0.04 0.00 0.00 63.50 63.09 2fg0 n PRO 122 Cb 0.00 -1.56 -0.10 0.00 -0.04 0.00 0.00 33.50 31.81 2fg0 n PRO 122 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 2fg0 s ASN 123 N -3.31 6.15 0.24 3.54 0.01 -1.26 -4.61 114.94 115.69 2fg0 s ASN 123 Ca 0.12 -0.23 0.10 0.00 -0.71 0.00 0.00 52.86 52.14 2fg0 s ASN 123 Cb 0.17 -2.18 -0.04 0.00 0.41 0.00 0.00 41.25 39.61 2fg0 s ASN 123 CO 0.60 -0.29 -0.09 -0.31 -1.51 0.00 0.00 177.10 175.50 2fg0 s TYR 124 N 1.94 2.56 0.65 2.20 2.02 -1.22 -4.01 117.35 121.48 2fg0 s TYR 124 Ca 0.10 -0.26 0.06 0.00 -0.37 0.00 0.00 57.07 56.61 2fg0 s TYR 124 Cb -0.17 -1.17 0.11 0.00 -0.40 0.00 0.00 41.96 40.34 2fg0 s TYR 124 CO 0.11 0.61 0.90 0.16 -1.57 0.00 0.00 175.55 175.76 2fg0 s ASP 125 N -3.35 4.71 0.05 2.29 1.47 -0.99 -2.05 116.67 118.80 2fg0 s ASP 125 Ca 0.29 -0.73 -0.24 0.00 1.18 0.00 0.00 52.55 53.04 2fg0 s ASP 125 Cb -0.07 0.32 -0.17 0.00 -0.34 0.00 0.00 42.92 42.66 2fg0 s ASP 125 CO 0.17 -1.63 1.55 0.00 0.68 0.00 0.00 175.17 175.94 2fg0 h SER 127 N -0.23 0.00 -0.13 0.00 4.64 -1.84 -3.06 113.55 112.93 2fg0 h SER 127 Ca -0.01 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.19 2fg0 h SER 127 Cb 0.21 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.29 2fg0 h SER 127 CO 0.01 0.51 -0.33 1.23 -0.87 0.00 0.00 176.83 177.38 2fg0 h GLY 128 N 2.61 0.68 -1.59 -0.77 0.00 -1.71 -0.87 103.07 101.42 2fg0 h GLY 128 Ca -0.01 -0.63 0.00 0.00 0.00 0.00 0.00 47.33 46.70 2fg0 h GLY 128 CO 0.07 0.57 0.00 -0.10 0.00 0.00 0.00 176.54 177.07 2fg0 n LEU 129 N -4.07 0.33 0.00 3.11 7.94 -0.70 -0.80 117.00 122.81 2fg0 n LEU 129 Ca -0.01 -0.17 0.00 0.00 -1.11 0.00 0.00 56.01 54.72 2fg0 n LEU 129 Cb 0.48 -0.08 0.00 0.00 0.53 0.00 0.00 43.42 44.35 2fg0 n LEU 129 CO 0.44 0.06 0.00 1.67 -1.11 0.00 0.00 177.39 178.46 2fg0 n GLN 131 N 0.72 0.00 -0.22 1.96 7.27 -0.33 -0.74 117.38 126.03 2fg0 n GLN 131 Ca 0.00 0.00 -0.08 0.00 0.07 0.00 0.00 57.00 56.99 2fg0 n GLN 131 Cb 0.06 0.00 0.04 0.00 2.41 0.00 0.00 30.24 32.75 2fg0 n GLN 131 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2fg0 h ALA 132 N 0.00 0.89 -0.05 1.69 0.00 -1.23 0.15 119.26 120.71 2fg0 h ALA 132 Ca 0.00 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.61 2fg0 h ALA 132 Cb 0.00 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.55 2fg0 h ALA 132 CO 0.00 0.67 0.00 0.00 0.00 0.00 0.00 179.25 179.92 2fg0 h ALA 133 N 1.05 0.07 -0.30 0.00 0.00 -1.17 -1.38 119.26 117.52 2fg0 h ALA 133 Ca 0.19 -0.17 -0.10 0.00 0.00 0.00 0.00 54.91 54.83 2fg0 h ALA 133 Cb 0.49 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 2fg0 h ALA 133 CO 0.02 -0.26 -0.24 0.74 0.00 0.00 0.00 179.25 179.51 2fg0 h PHE 134 N -0.19 0.66 0.00 0.00 -1.00 -1.79 -2.84 116.94 111.78 2fg0 h PHE 134 Ca 0.02 -0.14 -0.03 0.00 2.81 0.00 0.00 57.97 60.62 2fg0 h PHE 134 Cb 0.33 -0.16 -0.00 0.00 3.61 0.00 0.00 35.95 39.72 2fg0 h PHE 134 CO 0.03 0.78 -0.16 0.00 -1.61 0.00 0.00 178.31 177.35 2fg0 h ALA 135 N 1.22 1.12 0.00 2.45 0.00 -0.03 -1.72 119.26 122.30 2fg0 h ALA 135 Ca 0.07 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.84 2fg0 h ALA 135 Cb 0.69 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.46 2fg0 h ALA 135 CO 0.05 0.20 0.00 0.66 0.00 0.00 0.00 179.25 180.16 2fg0 h SER 136 N 0.00 0.00 -0.16 0.00 4.64 -0.99 -0.35 113.55 116.69 2fg0 h SER 136 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2fg0 h SER 136 Cb 0.53 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.62 2fg0 h SER 136 CO 0.02 0.00 0.00 1.33 -0.87 0.00 0.00 176.83 177.31 2fg0 n VAL 137 N -2.64 0.44 -0.27 0.95 0.24 -0.83 -4.99 118.33 111.23 2fg0 n VAL 137 Ca -0.01 -0.72 0.00 0.00 -2.04 0.00 0.00 64.34 61.57 2fg0 n VAL 137 Cb 0.10 0.91 0.00 0.00 -1.47 0.00 0.00 33.84 33.38 2fg0 n VAL 137 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2fg0 n GLY 138 N 0.59 0.81 3.67 7.63 0.00 -0.14 -5.06 105.19 112.70 2fg0 n GLY 138 Ca 0.09 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.74 2fg0 n GLY 138 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2fg0 s ILE 139 N -2.13 5.31 -0.22 -0.61 1.01 -0.71 -4.93 121.20 118.93 2fg0 s ILE 139 Ca 0.00 0.36 -0.10 0.00 0.00 0.00 0.00 60.65 60.91 2fg0 s ILE 139 Cb 0.00 -3.57 -0.05 0.00 0.01 0.00 0.00 42.46 38.85 2fg0 s ILE 139 CO 0.00 0.33 0.14 0.26 0.00 0.00 0.00 174.94 175.67 2fg0 s TRP 140 N 1.02 3.34 0.15 3.97 0.52 -1.26 -1.95 118.94 124.72 2fg0 s TRP 140 Ca 0.12 0.24 0.05 0.00 0.02 0.00 0.00 56.10 56.52 2fg0 s TRP 140 Cb -0.14 -2.21 -0.04 0.00 -1.15 0.00 0.00 33.47 29.94 2fg0 s TRP 140 CO 0.05 0.15 0.13 -0.51 0.02 0.00 0.00 176.95 176.79 2fg0 s LEU 141 N 0.72 3.81 1.01 2.99 1.43 -1.26 -0.71 118.68 126.67 2fg0 s LEU 141 Ca 0.07 -0.10 -0.11 0.00 -1.03 0.00 0.00 54.13 52.96 2fg0 s LEU 141 Cb -0.12 -2.43 0.20 0.00 0.03 0.00 0.00 46.19 43.86 2fg0 s LEU 141 CO 0.01 0.09 1.09 -2.16 0.23 0.00 0.00 176.35 175.62 2fg0 s PRO 142 N -2.95 0.24 0.03 1.29 0.04 -1.26 -4.85 135.00 127.55 2fg0 s PRO 142 Ca 0.31 1.23 -0.07 0.00 0.04 0.00 0.00 61.00 62.50 2fg0 s PRO 142 Cb -0.11 -1.66 -0.30 0.00 0.04 0.00 0.00 34.50 32.47 2fg0 s PRO 142 CO 0.23 -3.06 0.98 -0.09 0.04 0.00 0.00 177.00 175.11 2fg0 h ARG 143 N -2.16 0.34 -6.23 4.56 9.65 -1.93 -3.42 114.38 115.19 2fg0 h ARG 143 Ca -0.51 -0.59 -0.57 0.00 -1.10 0.00 0.00 59.98 57.21 2fg0 h ARG 143 Cb 1.29 0.22 -0.03 0.00 -1.39 0.00 0.00 29.97 30.06 2fg0 h ARG 143 CO 0.46 1.25 -0.27 -0.51 2.80 0.00 0.00 179.97 183.70 2fg0 s ASP 144 N -7.22 6.52 0.23 -3.80 1.01 -1.26 -4.34 116.67 107.81 2fg0 s ASP 144 Ca -0.08 0.65 -0.06 0.00 0.71 0.00 0.00 52.55 53.78 2fg0 s ASP 144 Cb 0.06 -2.12 0.35 0.00 1.01 0.00 0.00 42.92 42.22 2fg0 s ASP 144 CO 0.89 0.02 1.81 0.00 0.21 0.00 0.00 175.17 178.10 2fg0 h ALA 145 N 2.74 1.08 -0.18 5.23 0.00 -1.90 -0.94 119.26 125.29 2fg0 h ALA 145 Ca -0.46 0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.41 2fg0 h ALA 145 Cb 1.17 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 2fg0 h ALA 145 CO 0.72 0.09 -0.18 0.10 0.00 0.00 0.00 179.25 179.97 2fg0 h TYR 146 N 0.76 0.33 -0.36 0.00 -0.00 -1.93 -1.10 116.97 114.67 2fg0 h TYR 146 Ca 0.37 -0.05 -0.15 0.00 -0.00 0.00 0.00 58.73 58.89 2fg0 h TYR 146 Cb 0.30 -0.09 -0.01 0.00 -0.00 0.00 0.00 36.73 36.93 2fg0 h TYR 146 CO -0.07 0.49 -0.38 1.96 -0.00 0.00 0.00 178.16 180.16 2fg0 h GLN 147 N 0.29 0.86 -0.41 0.10 4.20 -1.69 -1.90 115.11 116.56 2fg0 h GLN 147 Ca 0.05 -0.44 -0.05 0.00 0.06 0.00 0.00 58.65 58.27 2fg0 h GLN 147 Cb 0.50 0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.27 2fg0 h GLN 147 CO 0.03 1.09 0.06 1.96 -0.67 0.00 0.00 178.83 181.30 2fg0 h GLN 148 N 0.71 0.63 -0.55 1.46 4.20 -0.73 -0.01 115.11 120.82 2fg0 h GLN 148 Ca 0.06 -0.13 -0.11 0.00 0.06 0.00 0.00 58.65 58.53 2fg0 h GLN 148 Cb 0.95 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 28.62 2fg0 h GLN 148 CO 0.09 0.61 -0.09 1.49 -0.67 0.00 0.00 178.83 180.26 2fg0 h GLU 149 N 0.61 1.04 0.00 1.46 4.81 -1.02 -1.93 114.58 119.55 2fg0 h GLU 149 Ca 0.13 -0.38 -0.03 0.00 -0.13 0.00 0.00 59.36 58.95 2fg0 h GLU 149 Cb 0.30 -0.07 -0.00 0.00 0.63 0.00 0.00 28.75 29.60 2fg0 h GLU 149 CO 0.00 1.07 -0.16 0.78 -0.73 0.00 0.00 179.01 179.97 2fg0 h GLY 150 N 0.92 0.00 1.04 1.92 0.00 -0.78 -3.29 103.07 102.88 2fg0 h GLY 150 Ca 0.15 0.00 -0.30 0.00 0.00 0.00 0.00 47.33 47.18 2fg0 h GLY 150 CO 0.05 0.00 -1.67 -2.75 0.00 0.00 0.00 176.54 172.16 2fg0 h PHE 151 N 0.00 0.09 -4.40 5.60 3.57 -0.78 -3.47 116.94 117.55 2fg0 h PHE 151 Ca -0.00 -0.07 -0.48 0.00 3.53 0.00 0.00 57.97 60.95 2fg0 h PHE 151 Cb 0.85 -0.00 0.08 0.00 2.79 0.00 0.00 35.95 39.67 2fg0 h PHE 151 CO 0.00 1.13 0.38 0.95 -2.23 0.00 0.00 178.31 178.54 2fg0 s THR 152 N -2.60 2.97 -0.29 4.41 -4.23 -0.75 -4.84 115.64 110.30 2fg0 s THR 152 Ca -0.07 0.24 -0.23 0.00 -1.18 0.00 0.00 61.69 60.45 2fg0 s THR 152 Cb 0.08 -3.30 -0.00 0.00 1.34 0.00 0.00 72.50 70.62 2fg0 s THR 152 CO 0.82 -0.38 0.78 -1.58 -0.54 0.00 0.00 174.62 173.72 2fg0 s GLN 153 N -5.39 4.01 0.27 3.99 2.00 -0.24 -4.81 119.66 119.51 2fg0 s GLN 153 Ca 0.59 0.65 -0.30 0.00 -2.00 0.00 0.00 55.36 54.29 2fg0 s GLN 153 Cb -0.11 -3.71 -0.11 0.00 0.80 0.00 0.00 33.01 29.88 2fg0 s GLN 153 CO 0.50 -0.63 1.60 -2.14 -0.50 0.00 0.00 175.29 174.12 2fg0 s PRO 154 N 2.90 4.13 0.24 1.67 0.02 -1.26 -0.56 135.00 142.13 2fg0 s PRO 154 Ca 0.32 2.56 0.04 0.00 0.02 0.00 0.00 61.00 63.94 2fg0 s PRO 154 Cb -0.14 -3.04 -0.05 0.00 0.02 0.00 0.00 34.50 31.28 2fg0 s PRO 154 CO 0.11 -0.64 -0.01 0.96 -0.33 0.00 0.00 177.00 177.09 2fg0 s ILE 155 N 0.20 1.12 0.59 2.83 -4.36 -0.57 -4.87 121.20 116.14 2fg0 s ILE 155 Ca 0.65 -2.05 -0.13 0.00 -0.26 0.00 0.00 60.65 58.86 2fg0 s ILE 155 Cb -0.48 -2.35 -0.05 0.00 1.25 0.00 0.00 42.46 40.83 2fg0 s ILE 155 CO 0.45 -0.33 1.02 0.42 0.24 0.00 0.00 174.94 176.74 2fg0 s THR 156 N -3.36 4.52 0.28 8.37 -4.23 -1.26 -3.79 115.64 116.17 2fg0 s THR 156 Ca 0.28 0.98 0.00 0.00 -1.18 0.00 0.00 61.69 61.78 2fg0 s THR 156 Cb 0.05 -3.74 0.28 0.00 1.34 0.00 0.00 72.50 70.44 2fg0 s THR 156 CO 0.09 -0.91 1.87 0.40 -0.54 0.00 0.00 174.62 175.53 2fg0 h ILE 157 N 0.15 1.01 -0.17 2.99 1.08 -1.94 -0.92 117.51 119.71 2fg0 h ILE 157 Ca -0.45 -0.36 0.03 0.00 -0.39 0.00 0.00 64.86 63.68 2fg0 h ILE 157 Cb 1.19 -0.14 -0.01 0.00 -3.07 0.00 0.00 36.82 34.79 2fg0 h ILE 157 CO 0.61 0.19 0.12 0.00 -0.69 0.00 0.00 178.15 178.38 2fg0 h ALA 158 N 1.51 2.02 -0.00 1.87 0.00 -2.04 -1.90 119.26 120.71 2fg0 h ALA 158 Ca 0.45 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.35 2fg0 h ALA 158 Cb 0.33 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.09 2fg0 h ALA 158 CO -0.21 -0.06 -0.11 0.39 0.00 0.00 0.00 179.25 179.27 2fg0 n GLU 159 N -4.50 0.75 -1.65 0.00 1.02 -0.36 -4.93 120.64 110.97 2fg0 n GLU 159 Ca 0.00 -0.27 -0.46 0.00 -0.02 0.00 0.00 57.16 56.41 2fg0 n GLU 159 Cb 0.17 -1.49 -0.04 0.00 -0.02 0.00 0.00 31.44 30.06 2fg0 n GLU 159 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 2fg0 n LEU 160 N -0.89 2.83 -4.21 -4.62 4.77 -0.72 -4.96 117.00 109.21 2fg0 n LEU 160 Ca 0.15 1.12 -0.12 0.00 -0.03 0.00 0.00 56.01 57.13 2fg0 n LEU 160 Cb 0.28 -1.39 -0.10 0.00 -2.33 0.00 0.00 43.42 39.88 2fg0 n LEU 160 CO 0.23 -0.53 -0.36 0.68 -1.33 0.00 0.00 177.39 176.08 2fg0 s VAL 161 N 0.36 0.69 -0.00 4.08 -7.23 -1.26 -4.99 120.40 112.05 2fg0 s VAL 161 Ca 0.74 -1.96 -0.38 0.00 -1.81 0.00 0.00 61.98 58.57 2fg0 s VAL 161 Cb -0.71 -1.91 -0.17 0.00 0.56 0.00 0.00 36.38 34.16 2fg0 s VAL 161 CO 0.45 -0.67 1.38 0.00 -0.31 0.00 0.00 175.10 175.96 2fg0 n ALA 162 N -0.15 -1.17 -0.17 1.32 0.00 -1.18 -1.58 120.51 117.58 2fg0 n ALA 162 Ca -0.09 0.51 0.00 0.00 0.00 0.00 0.00 53.44 53.85 2fg0 n ALA 162 Cb 0.62 -2.06 0.00 0.00 0.00 0.00 0.00 19.45 18.01 2fg0 n ALA 162 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2fg0 n GLY 163 N 2.72 0.79 3.84 0.00 0.00 -0.25 -4.99 105.19 107.30 2fg0 n GLY 163 Ca 0.20 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.92 2fg0 n GLY 163 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2fg0 s ASP 164 N -2.83 5.44 -0.10 1.61 1.01 -0.61 -4.73 116.67 116.46 2fg0 s ASP 164 Ca 0.00 1.40 -0.05 0.00 0.71 0.00 0.00 52.55 54.61 2fg0 s ASP 164 Cb 0.00 -2.28 -0.04 0.00 1.01 0.00 0.00 42.92 41.61 2fg0 s ASP 164 CO 0.00 -1.38 0.11 -0.76 0.21 0.00 0.00 175.17 173.35 2fg0 s LEU 165 N -5.46 4.16 -0.13 1.23 1.43 0.14 -0.42 118.68 119.63 2fg0 s LEU 165 Ca 0.58 0.36 -0.01 0.00 -1.03 0.00 0.00 54.13 54.03 2fg0 s LEU 165 Cb -0.13 -2.07 -0.02 0.00 0.03 0.00 0.00 46.19 44.01 2fg0 s LEU 165 CO 0.54 0.38 -0.10 -0.69 0.23 0.00 0.00 176.35 176.72 2fg0 s VAL 166 N -1.03 3.38 -0.04 -1.59 1.01 0.41 -0.54 120.40 122.00 2fg0 s VAL 166 Ca 0.16 -0.55 0.03 0.00 0.00 0.00 0.00 61.98 61.62 2fg0 s VAL 166 Cb -0.12 -2.44 -0.03 0.00 0.00 0.00 0.00 36.38 33.79 2fg0 s VAL 166 CO 0.05 0.52 -0.10 -0.36 0.00 0.00 0.00 175.10 175.21 2fg0 s PHE 167 N 0.26 2.82 0.06 5.22 0.08 0.46 -0.92 117.98 125.95 2fg0 s PHE 167 Ca -0.07 -0.07 0.04 0.00 0.12 0.00 0.00 56.93 56.95 2fg0 s PHE 167 Cb -0.15 -1.64 -0.03 0.00 -0.57 0.00 0.00 43.02 40.63 2fg0 s PHE 167 CO 0.04 0.29 -0.11 -0.06 -0.10 0.00 0.00 175.22 175.28 2fg0 s PHE 168 N -0.84 0.98 -3.05 0.36 0.40 -0.47 -0.03 117.98 115.33 2fg0 s PHE 168 Ca 0.13 -0.46 0.00 0.00 -0.60 0.00 0.00 56.93 56.00 2fg0 s PHE 168 Cb -0.11 -0.56 0.00 0.00 0.51 0.00 0.00 43.02 42.86 2fg0 s PHE 168 CO 0.03 -0.00 0.00 0.41 0.70 0.00 0.00 175.22 176.36 2fg0 n GLY 169 N 1.42 -0.57 3.93 4.36 0.00 -0.09 -0.73 105.19 113.51 2fg0 n GLY 169 Ca -0.22 -0.73 -0.28 0.00 0.00 0.00 0.00 46.02 44.80 2fg0 n GLY 169 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2fg0 s THR 170 N -3.55 2.06 0.26 2.61 -4.23 -0.99 -4.74 115.64 107.06 2fg0 s THR 170 Ca 0.00 -0.12 0.35 0.00 -1.18 0.00 0.00 61.69 60.75 2fg0 s THR 170 Cb 0.00 -2.95 0.37 0.00 1.34 0.00 0.00 72.50 71.26 2fg0 s THR 170 CO 0.00 0.00 2.08 0.77 -0.54 0.00 0.00 174.62 176.93 2fg0 h SER 171 N -1.17 0.00 0.09 3.99 4.64 -1.99 -3.22 113.55 115.88 2fg0 h SER 171 Ca -0.44 0.00 -0.23 0.00 -0.47 0.00 0.00 61.79 60.65 2fg0 h SER 171 Cb 1.28 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.36 2fg0 h SER 171 CO 0.50 0.00 -1.18 1.56 -0.87 0.00 0.00 176.83 176.83 2fg0 h GLN 172 N 0.00 0.19 -2.79 4.77 7.50 -2.03 -3.49 115.11 119.27 2fg0 h GLN 172 Ca 0.00 -0.33 -0.02 0.00 0.50 0.00 0.00 58.65 58.80 2fg0 h GLN 172 Cb 0.11 0.12 -0.13 0.00 0.05 0.00 0.00 27.48 27.63 2fg0 h GLN 172 CO 0.00 1.16 0.22 -1.59 -1.50 0.00 0.00 178.83 177.11 2fg0 s LYS 173 N -2.43 1.22 0.04 1.46 -2.85 -1.22 -5.13 119.74 110.83 2fg0 s LYS 173 Ca -0.20 -0.33 -0.30 0.00 -1.00 0.00 0.00 55.97 54.13 2fg0 s LYS 173 Cb 0.03 0.56 -0.05 0.00 -2.06 0.00 0.00 37.83 36.32 2fg0 s LYS 173 CO 0.74 -0.51 1.20 0.00 0.10 0.00 0.00 175.35 176.88 2fg0 s ALA 174 N -3.25 3.41 0.00 0.59 0.00 -1.26 -2.35 121.76 118.89 2fg0 s ALA 174 Ca -0.01 0.81 0.00 0.00 0.00 0.00 0.00 51.96 52.76 2fg0 s ALA 174 Cb -0.01 -3.46 0.00 0.00 0.00 0.00 0.00 23.12 19.65 2fg0 s ALA 174 CO -0.09 -0.49 0.25 0.25 0.00 0.00 0.00 175.76 175.68 2fg0 n THR 175 N 4.05 0.00 -3.83 0.00 -2.24 0.09 -3.33 114.28 109.02 2fg0 n THR 175 Ca 0.09 -0.49 -0.12 0.00 -2.27 0.00 0.00 64.05 61.27 2fg0 n THR 175 Cb 0.46 1.01 -0.09 0.00 -2.10 0.00 0.00 70.33 69.61 2fg0 n THR 175 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 2fg0 s HIS 176 N -0.48 -0.04 -0.03 4.78 2.46 -0.81 -4.89 115.29 116.29 2fg0 s HIS 176 Ca 0.00 0.01 -0.10 0.00 0.47 0.00 0.00 55.06 55.44 2fg0 s HIS 176 Cb 0.00 0.01 0.01 0.00 -0.13 0.00 0.00 32.58 32.47 2fg0 s HIS 176 CO 0.00 -0.34 0.22 0.54 -2.47 0.00 0.00 174.74 172.70 2fg0 s VAL 177 N -1.43 0.05 0.23 0.89 0.11 -1.26 -1.37 120.40 117.63 2fg0 s VAL 177 Ca -0.14 -0.45 -0.01 0.00 -2.93 0.00 0.00 61.98 58.46 2fg0 s VAL 177 Cb -0.06 -0.47 -0.03 0.00 -1.53 0.00 0.00 36.38 34.28 2fg0 s VAL 177 CO 0.02 -0.24 0.20 -0.83 -3.33 0.00 0.00 175.10 170.92 2fg0 s GLY 178 N -0.99 1.52 -0.26 6.54 0.00 -0.10 -4.67 107.32 109.37 2fg0 s GLY 178 Ca -0.11 -1.69 -0.05 0.00 0.00 0.00 0.00 44.72 42.87 2fg0 s GLY 178 CO 0.02 -1.33 0.02 -2.27 0.00 0.00 0.00 173.10 169.55 2fg0 s LEU 179 N -3.19 3.37 0.35 0.66 2.96 0.31 -0.45 118.68 122.70 2fg0 s LEU 179 Ca 0.37 -0.51 -0.28 0.00 -0.22 0.00 0.00 54.13 53.50 2fg0 s LEU 179 Cb 0.05 -1.82 -0.09 0.00 0.50 0.00 0.00 46.19 44.83 2fg0 s LEU 179 CO 0.15 -0.09 1.23 -0.47 -1.32 0.00 0.00 176.35 175.85 2fg0 s TYR 180 N 1.50 3.12 0.00 5.38 5.04 0.44 -1.17 117.35 131.67 2fg0 s TYR 180 Ca 0.04 1.51 0.00 0.00 -2.44 0.00 0.00 57.07 56.18 2fg0 s TYR 180 Cb -0.16 -3.53 0.00 0.00 0.35 0.00 0.00 41.96 38.62 2fg0 s TYR 180 CO 0.00 -1.50 0.00 1.28 -1.34 0.00 0.00 175.55 173.99 2fg0 n LEU 181 N 0.59 0.00 -3.54 6.97 4.77 0.34 -1.09 117.00 125.04 2fg0 n LEU 181 Ca 0.01 0.00 -0.16 0.00 -0.03 0.00 0.00 56.01 55.83 2fg0 n LEU 181 Cb 0.44 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.47 2fg0 n LEU 181 CO 0.55 0.00 0.50 0.00 -1.33 0.00 0.00 177.39 177.12 2fg0 s ALA 182 N -3.03 -1.80 -1.48 -1.18 0.00 -1.17 -3.13 121.76 109.97 2fg0 s ALA 182 Ca 0.00 1.43 -0.10 0.00 0.00 0.00 0.00 51.96 53.29 2fg0 s ALA 182 Cb 0.00 -0.24 0.06 0.00 0.00 0.00 0.00 23.12 22.94 2fg0 s ALA 182 CO 0.00 -0.35 0.92 -0.25 0.00 0.00 0.00 175.76 176.07 2fg0 n ASP 183 N 1.04 -3.98 0.00 0.00 9.92 -1.26 -1.27 116.55 121.01 2fg0 n ASP 183 Ca -0.17 -0.79 0.00 0.00 -0.53 0.00 0.00 54.79 53.30 2fg0 n ASP 183 Cb 0.57 -3.94 0.00 0.00 -0.64 0.00 0.00 41.12 37.11 2fg0 n ASP 183 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2fg0 n GLY 184 N -1.68 2.41 3.83 0.44 0.00 -1.26 -4.90 105.19 104.03 2fg0 n GLY 184 Ca -0.04 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.65 2fg0 n GLY 184 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2fg0 s TYR 185 N -2.28 3.40 0.04 1.61 2.02 -0.40 -0.00 117.35 121.74 2fg0 s TYR 185 Ca 0.00 1.38 -0.19 0.00 -0.37 0.00 0.00 57.07 57.89 2fg0 s TYR 185 Cb 0.00 -2.66 0.04 0.00 -0.40 0.00 0.00 41.96 38.94 2fg0 s TYR 185 CO 0.00 0.06 0.43 1.52 -1.57 0.00 0.00 175.55 175.99 2fg0 s TYR 186 N -1.98 -0.29 -0.06 2.71 1.13 -0.27 -0.50 117.35 118.08 2fg0 s TYR 186 Ca 0.55 0.28 0.02 0.00 -1.41 0.00 0.00 57.07 56.51 2fg0 s TYR 186 Cb -0.11 0.24 -0.03 0.00 -1.10 0.00 0.00 41.96 40.96 2fg0 s TYR 186 CO 0.17 -0.58 -0.10 -1.50 -2.51 0.00 0.00 175.55 171.03 2fg0 s ILE 187 N -2.41 3.47 0.13 -3.49 2.07 -0.31 -0.74 121.20 119.91 2fg0 s ILE 187 Ca -0.06 -0.57 -0.23 0.00 -1.41 0.00 0.00 60.65 58.38 2fg0 s ILE 187 Cb -0.01 -2.40 0.07 0.00 0.13 0.00 0.00 42.46 40.25 2fg0 s ILE 187 CO -0.02 0.59 0.58 -1.38 -1.91 0.00 0.00 174.94 172.81 2fg0 s HIS 188 N -0.76 -0.51 -0.21 3.50 -3.43 -0.41 -0.53 115.29 112.94 2fg0 s HIS 188 Ca 0.12 0.38 -0.11 0.00 -0.80 0.00 0.00 55.06 54.64 2fg0 s HIS 188 Cb -0.11 0.50 -0.05 0.00 -1.43 0.00 0.00 32.58 31.49 2fg0 s HIS 188 CO 0.01 -0.80 0.20 0.45 -2.00 0.00 0.00 174.74 172.60 2fg0 s SER 189 N -2.54 6.22 0.10 7.38 0.15 -1.26 -0.75 113.70 123.00 2fg0 s SER 189 Ca -0.00 0.24 0.06 0.00 0.70 0.00 0.00 55.95 56.95 2fg0 s SER 189 Cb -0.01 -2.13 -0.03 0.00 -1.71 0.00 0.00 66.02 62.14 2fg0 s SER 189 CO -0.10 0.08 -0.15 -0.94 1.20 0.00 0.00 173.24 173.33 2fg0 s SER 190 N 0.79 2.01 0.95 5.45 1.04 -0.49 -3.69 113.70 119.76 2fg0 s SER 190 Ca 0.10 -0.72 -0.12 0.00 0.48 0.00 0.00 55.95 55.69 2fg0 s SER 190 Cb -0.13 -0.08 0.16 0.00 0.10 0.00 0.00 66.02 66.07 2fg0 s SER 190 CO 0.03 -0.08 1.09 -0.83 0.98 0.00 0.00 173.24 174.43 2fg0 s GLY 191 N -2.11 1.59 0.23 7.32 0.00 -1.26 -0.60 107.32 112.49 2fg0 s GLY 191 Ca 0.05 -0.21 -0.03 0.00 0.00 0.00 0.00 44.72 44.53 2fg0 s GLY 191 CO 0.03 0.34 1.63 1.70 0.00 0.00 0.00 173.10 176.81 2fg0 h LYS 192 N -1.72 0.67 0.50 2.90 3.64 -1.92 -0.10 116.57 120.55 2fg0 h LYS 192 Ca -0.52 -0.29 -0.02 0.00 -1.27 0.00 0.00 60.65 58.55 2fg0 h LYS 192 Cb 1.31 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 33.11 2fg0 h LYS 192 CO 0.56 0.88 -0.24 -0.44 -2.27 0.00 0.00 179.45 177.93 2fg0 h ASP 193 N 0.58 -0.57 0.26 4.20 3.32 -2.00 -3.37 116.42 118.83 2fg0 h ASP 193 Ca 0.07 -0.03 -0.16 0.00 0.02 0.00 0.00 57.03 56.94 2fg0 h ASP 193 Cb 0.77 0.15 -0.03 0.00 0.22 0.00 0.00 39.33 40.44 2fg0 h ASP 193 CO 0.06 -0.16 -1.89 1.67 -1.72 0.00 0.00 179.24 177.20 2fg0 n GLN 194 N -5.24 0.65 0.00 3.56 7.27 -1.26 -5.03 117.38 117.35 2fg0 n GLN 194 Ca -0.09 -0.00 0.00 0.00 0.07 0.00 0.00 57.00 56.97 2fg0 n GLN 194 Cb 0.29 -1.62 0.00 0.00 2.41 0.00 0.00 30.24 31.32 2fg0 n GLN 194 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2fg0 n GLY 195 N 1.44 3.96 0.87 1.69 0.00 -0.08 -4.72 105.19 108.35 2fg0 n GLY 195 Ca -0.14 -1.73 0.09 0.00 0.00 0.00 0.00 46.02 44.24 2fg0 n GLY 195 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2fg0 n ARG 196 N 0.00 2.06 -3.71 1.61 1.74 -1.06 -4.72 116.66 112.58 2fg0 n ARG 196 Ca 0.00 -1.93 -0.27 0.00 -0.77 0.00 0.00 57.85 54.87 2fg0 n ARG 196 Cb 0.00 -1.39 0.03 0.00 -1.02 0.00 0.00 32.46 30.08 2fg0 n ARG 196 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 2fg0 n ASP 197 N 1.10 -3.60 0.00 0.55 2.03 -0.69 -4.81 116.55 111.14 2fg0 n ASP 197 Ca 0.14 -0.96 0.00 0.00 0.52 0.00 0.00 54.79 54.49 2fg0 n ASP 197 Cb 0.49 -3.55 0.00 0.00 -0.72 0.00 0.00 41.12 37.34 2fg0 n ASP 197 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2fg0 n GLY 198 N -1.70 0.94 3.72 0.27 0.00 0.23 -3.36 105.19 105.29 2fg0 n GLY 198 Ca -0.17 -1.93 -0.42 0.00 0.00 0.00 0.00 46.02 43.50 2fg0 n GLY 198 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2fg0 s ILE 199 N -2.13 4.48 0.22 -0.61 1.01 -1.26 -1.39 121.20 121.53 2fg0 s ILE 199 Ca 0.00 1.89 -0.17 0.00 0.00 0.00 0.00 60.65 62.38 2fg0 s ILE 199 Cb 0.00 -4.21 0.06 0.00 0.01 0.00 0.00 42.46 38.32 2fg0 s ILE 199 CO 0.00 0.21 0.82 0.61 0.00 0.00 0.00 174.94 176.58 2fg0 n GLY 200 N 2.67 0.84 3.27 6.18 0.00 0.07 -4.98 105.19 113.24 2fg0 n GLY 200 Ca 0.05 -1.16 -0.32 0.00 0.00 0.00 0.00 46.02 44.60 2fg0 n GLY 200 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2fg0 s ILE 201 N -2.16 2.24 0.34 -0.61 1.01 -1.26 -1.29 121.20 119.47 2fg0 s ILE 201 Ca 0.18 -0.98 0.03 0.00 0.00 0.00 0.00 60.65 59.88 2fg0 s ILE 201 Cb -0.03 -1.85 -0.04 0.00 0.01 0.00 0.00 42.46 40.55 2fg0 s ILE 201 CO 0.07 0.56 0.12 -1.81 0.00 0.00 0.00 174.94 173.88 2fg0 s ASP 202 N 0.07 2.09 0.00 3.58 1.01 0.08 -4.96 116.67 118.54 2fg0 s ASP 202 Ca -0.10 -1.53 0.06 0.00 0.71 0.00 0.00 52.55 51.69 2fg0 s ASP 202 Cb -0.16 0.29 -0.02 0.00 1.01 0.00 0.00 42.92 44.05 2fg0 s ASP 202 CO 0.06 -0.82 -0.20 -0.51 0.21 0.00 0.00 175.17 173.91 2fg0 s ILE 203 N -3.43 1.56 -1.36 0.77 2.07 -1.26 -1.11 121.20 118.45 2fg0 s ILE 203 Ca 0.32 -0.93 -0.14 0.00 -1.41 0.00 0.00 60.65 58.50 2fg0 s ILE 203 Cb 0.05 -1.32 0.09 0.00 0.13 0.00 0.00 42.46 41.42 2fg0 s ILE 203 CO 0.16 0.37 1.96 0.18 -1.91 0.00 0.00 174.94 175.70 2fg0 n LEU 204 N 2.40 6.25 -3.59 8.50 4.77 1.00 -4.74 117.00 131.60 2fg0 n LEU 204 Ca -0.16 -4.25 -0.13 0.00 -0.03 0.00 0.00 56.01 51.45 2fg0 n LEU 204 Cb 0.53 -1.63 -0.05 0.00 -2.33 0.00 0.00 43.42 39.94 2fg0 n LEU 204 CO 0.24 0.94 0.25 -0.55 -1.33 0.00 0.00 177.39 176.93 2fg0 s SER 205 N 2.81 -0.39 0.00 -1.43 0.15 -1.26 -4.91 113.70 108.67 2fg0 s SER 205 Ca 0.46 0.04 0.27 0.00 0.70 0.00 0.00 55.95 57.43 2fg0 s SER 205 Cb 0.09 0.49 0.92 0.00 -1.71 0.00 0.00 66.02 65.81 2fg0 s SER 205 CO -0.02 -0.76 1.71 -0.62 1.20 0.00 0.00 173.24 174.75 2fg0 n GLU 206 N 0.24 0.00 0.00 5.44 1.02 -1.26 -3.39 120.64 122.69 2fg0 n GLU 206 Ca -0.18 -0.00 0.14 0.00 -0.02 0.00 0.00 57.16 57.10 2fg0 n GLU 206 Cb 0.61 -1.50 0.79 0.00 -0.02 0.00 0.00 31.44 31.32 2fg0 n GLU 206 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 2fg0 n GLN 207 N -1.50 0.74 -1.66 3.49 1.13 -1.26 -4.89 117.38 113.43 2fg0 n GLN 207 Ca 0.06 0.01 -0.30 0.00 -1.94 0.00 0.00 57.00 54.84 2fg0 n GLN 207 Cb 0.34 -1.50 0.18 0.00 0.11 0.00 0.00 30.24 29.36 2fg0 n GLN 207 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 2fg0 s GLY 208 N -2.16 1.67 0.61 1.08 0.00 -1.22 -5.07 107.32 102.23 2fg0 s GLY 208 Ca 0.37 -0.95 -0.10 0.00 0.00 0.00 0.00 44.72 44.05 2fg0 s GLY 208 CO 0.35 -0.23 0.54 2.09 0.00 0.00 0.00 173.10 175.86 2fg0 n ASP 209 N -3.93 -1.52 -0.15 1.64 5.68 -1.26 -4.72 116.55 112.29 2fg0 n ASP 209 Ca 0.12 -0.84 -0.08 0.00 -0.50 0.00 0.00 54.79 53.50 2fg0 n ASP 209 Cb 0.60 -0.50 0.07 0.00 -1.14 0.00 0.00 41.12 40.15 2fg0 n ASP 209 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2fg0 h ALA 210 N -2.36 0.88 -0.18 2.12 0.00 -1.98 -1.41 119.26 116.32 2fg0 h ALA 210 Ca -0.20 -0.33 -0.02 0.00 0.00 0.00 0.00 54.91 54.35 2fg0 h ALA 210 Cb 0.62 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 2fg0 h ALA 210 CO 0.13 0.64 0.04 0.28 0.00 0.00 0.00 179.25 180.35 2fg0 h VAL 211 N 0.83 1.20 -0.75 0.00 2.07 -1.93 -2.22 116.25 115.46 2fg0 h VAL 211 Ca 0.13 -0.65 0.11 0.00 0.82 0.00 0.00 66.70 67.11 2fg0 h VAL 211 Cb 0.63 1.29 -0.08 0.00 -1.52 0.00 0.00 31.29 31.61 2fg0 h VAL 211 CO 0.04 0.20 0.37 0.28 0.02 0.00 0.00 177.57 178.48 2fg0 h SER 212 N 0.11 0.46 -0.51 0.57 0.02 -1.78 -2.24 113.55 110.19 2fg0 h SER 212 Ca 0.06 0.07 -0.10 0.00 -0.84 0.00 0.00 61.79 60.98 2fg0 h SER 212 Cb 0.27 -0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.78 2fg0 h SER 212 CO 0.00 0.24 -0.04 0.25 -1.14 0.00 0.00 176.83 176.15 2fg0 h LEU 213 N 0.60 0.95 -0.67 5.07 5.85 -1.08 -0.22 115.31 125.81 2fg0 h LEU 213 Ca 0.38 -0.27 -0.02 0.00 0.84 0.00 0.00 57.88 58.81 2fg0 h LEU 213 Cb 0.45 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 41.19 2fg0 h LEU 213 CO -0.30 1.03 0.34 0.77 -0.34 0.00 0.00 178.44 179.94 2fg0 h SER 214 N 0.88 0.87 -0.29 1.25 4.64 -0.80 -1.49 113.55 118.60 2fg0 h SER 214 Ca 0.15 -0.12 -0.17 0.00 -0.47 0.00 0.00 61.79 61.18 2fg0 h SER 214 Cb 0.57 -0.22 0.00 0.00 -0.31 0.00 0.00 62.40 62.44 2fg0 h SER 214 CO 0.03 0.74 -0.50 1.88 -0.87 0.00 0.00 176.83 178.11 2fg0 h TYR 215 N 0.93 1.05 -0.94 4.77 0.05 -1.33 -3.25 116.97 118.25 2fg0 h TYR 215 Ca 0.23 -0.37 0.05 0.00 0.05 0.00 0.00 58.73 58.69 2fg0 h TYR 215 Cb 0.09 -0.20 -0.06 0.00 1.01 0.00 0.00 36.73 37.57 2fg0 h TYR 215 CO 0.00 1.19 0.61 -0.92 -1.05 0.00 0.00 178.16 177.99 2fg0 h TYR 216 N 0.62 1.14 0.00 4.88 3.20 -0.70 0.66 116.97 126.77 2fg0 h TYR 216 Ca 0.02 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.92 2fg0 h TYR 216 Cb 1.11 -0.38 0.00 0.00 1.54 0.00 0.00 36.73 39.00 2fg0 h TYR 216 CO 0.08 0.63 0.00 1.96 -1.64 0.00 0.00 178.16 179.19 2fg0 h GLN 217 N 1.16 0.00 -0.42 1.82 4.20 -1.31 -1.88 115.11 118.68 2fg0 h GLN 217 Ca 0.39 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.10 2fg0 h GLN 217 Cb 0.06 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.84 2fg0 h GLN 217 CO -0.14 0.00 0.00 1.04 -0.67 0.00 0.00 178.83 179.06 2fg0 n GLN 218 N -2.42 2.76 -1.69 1.46 6.02 0.19 -5.00 117.38 118.70 2fg0 n GLN 218 Ca -0.01 -2.15 -0.43 0.00 -0.01 0.00 0.00 57.00 54.40 2fg0 n GLN 218 Cb 0.11 -1.33 -0.03 0.00 1.02 0.00 0.00 30.24 30.00 2fg0 n GLN 218 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 177.06 175.94 2fg0 n LEU 219 N 0.77 3.99 -0.12 1.08 7.94 -0.71 -0.91 117.00 129.04 2fg0 n LEU 219 Ca 0.14 0.99 -0.18 0.00 -1.11 0.00 0.00 56.01 55.85 2fg0 n LEU 219 Cb 0.46 -1.54 -0.12 0.00 0.53 0.00 0.00 43.42 42.76 2fg0 n LEU 219 CO 0.10 0.15 -1.32 0.54 -1.11 0.00 0.00 177.39 175.76 2fg0 n ARG 220 N 5.52 0.66 -3.73 1.96 1.74 0.96 -4.87 116.66 118.90 2fg0 n ARG 220 Ca 0.18 0.15 0.00 0.00 -0.77 0.00 0.00 57.85 57.42 2fg0 n ARG 220 Cb 0.37 -1.53 0.00 0.00 -1.02 0.00 0.00 32.46 30.27 2fg0 n ARG 220 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2fg0 n GLY 221 N 2.24 -0.81 3.17 -0.13 0.00 -0.99 -5.01 105.19 103.66 2fg0 n GLY 221 Ca -0.45 -1.03 -0.11 0.00 0.00 0.00 0.00 46.02 44.44 2fg0 n GLY 221 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2fg0 s ALA 222 N -1.00 -0.38 0.01 4.61 0.00 -1.25 -0.41 121.76 123.35 2fg0 s ALA 222 Ca 0.00 -0.21 -0.04 0.00 0.00 0.00 0.00 51.96 51.70 2fg0 s ALA 222 Cb 0.00 0.23 -0.01 0.00 0.00 0.00 0.00 23.12 23.34 2fg0 s ALA 222 CO 0.00 -0.32 0.07 0.20 0.00 0.00 0.00 175.76 175.71 2fg0 s GLY 223 N -1.89 0.11 -0.14 0.00 0.00 0.29 -1.51 107.32 104.19 2fg0 s GLY 223 Ca -0.08 -0.27 -0.04 0.00 0.00 0.00 0.00 44.72 44.33 2fg0 s GLY 223 CO -0.02 -0.38 0.00 -1.60 0.00 0.00 0.00 173.10 171.11 2fg0 s ARG 224 N -1.28 3.53 -0.28 2.90 3.52 0.27 -0.69 118.95 126.93 2fg0 s ARG 224 Ca -0.14 -0.43 -0.29 0.00 -0.13 0.00 0.00 55.73 54.74 2fg0 s ARG 224 Cb -0.08 -2.96 0.01 0.00 -1.56 0.00 0.00 34.95 30.36 2fg0 s ARG 224 CO 0.00 0.41 1.15 0.08 -0.81 0.00 0.00 175.30 176.13 2fg0 s VAL 225 N -0.06 4.43 -0.06 7.11 1.01 -1.26 -1.08 120.40 130.49 2fg0 s VAL 225 Ca 0.04 1.66 0.01 0.00 0.00 0.00 0.00 61.98 63.69 2fg0 s VAL 225 Cb -0.13 -4.28 -0.00 0.00 0.00 0.00 0.00 36.38 31.97 2fg0 s VAL 225 CO 0.02 -0.38 0.26 2.22 0.00 0.00 0.00 175.10 177.22 2fg0 n PHE 226 N 6.90 0.00 -3.75 5.22 -1.74 -1.26 -4.94 117.46 117.89 2fg0 n PHE 226 Ca 0.13 0.00 -0.09 0.00 -0.56 0.00 0.00 57.45 56.93 2fg0 n PHE 226 Cb 0.46 0.00 -0.03 0.00 1.52 0.00 0.00 39.48 41.43 2fg0 n PHE 226 CO 0.00 0.00 0.00 -1.59 -0.56 0.00 0.00 176.76 174.61 2fg0 s LYS 227 N -0.59 1.48 0.07 3.97 -2.85 -1.26 -3.96 119.74 116.60 2fg0 s LYS 227 Ca 0.01 -0.88 -0.04 0.00 -1.00 0.00 0.00 55.97 54.06 2fg0 s LYS 227 Cb 0.01 0.55 -0.05 0.00 -2.06 0.00 0.00 37.83 36.27 2fg0 s LYS 227 CO 0.02 -0.64 0.29 0.45 0.10 0.00 0.00 175.35 175.56 2fg0 s SER 228 N -2.88 6.45 0.22 0.03 0.15 -1.26 -4.91 113.70 111.50 2fg0 s SER 228 Ca 0.10 0.48 -0.31 0.00 0.70 0.00 0.00 55.95 56.92 2fg0 s SER 228 Cb -0.02 -2.05 -0.11 0.00 -1.71 0.00 0.00 66.02 62.13 2fg0 s SER 228 CO -0.01 0.16 1.56 -0.47 1.20 0.00 0.00 173.24 175.68 2fg0 s TYR 229 N -1.49 2.97 -0.26 3.44 5.04 0.11 -4.91 117.35 122.25 2fg0 s TYR 229 Ca 0.34 0.74 -0.06 0.00 -2.44 0.00 0.00 57.07 55.65 2fg0 s TYR 229 Cb -0.13 -3.95 -0.01 0.00 0.35 0.00 0.00 41.96 38.23 2fg0 s TYR 229 CO 0.23 -3.35 0.04 -1.83 -1.34 0.00 0.00 175.55 169.30 2fg0 s GLU 230 N 0.38 3.32 0.84 4.97 -1.05 -1.26 -4.85 118.70 121.05 2fg0 s GLU 230 Ca 0.66 -0.69 -0.12 0.00 -0.15 0.00 0.00 54.97 54.68 2fg0 s GLU 230 Cb -0.45 -3.25 0.10 0.00 -0.44 0.00 0.00 34.13 30.10 2fg0 s GLU 230 CO 0.38 -0.30 1.16 -2.14 0.95 0.00 0.00 175.26 175.30 2fg0 s PRO 231 N 1.52 1.54 0.54 -4.83 0.02 -1.26 -4.96 135.00 127.57 2fg0 s PRO 231 Ca 0.04 1.55 -0.21 0.00 0.02 0.00 0.00 61.00 62.40 2fg0 s PRO 231 Cb -0.16 -1.79 -0.06 0.00 0.02 0.00 0.00 34.50 32.51 2fg0 s PRO 231 CO 0.01 -2.24 1.11 1.04 -0.33 0.00 0.00 177.00 176.59 2fg0 n GLN 232 N -3.68 1.30 -1.98 5.54 6.02 -1.26 -4.97 117.38 118.34 2fg0 n GLN 232 Ca 0.12 0.48 -0.41 0.00 -0.01 0.00 0.00 57.00 57.18 2fg0 n GLN 232 Cb 0.52 -2.28 -0.02 0.00 1.02 0.00 0.00 30.24 29.48 2fg0 n GLN 232 CO 0.00 0.00 0.00 -0.98 -1.01 0.00 0.00 177.06 175.07 2fg0 s ARG 233 N -2.60 4.25 0.00 -1.09 1.04 -1.26 -5.13 118.95 114.16 2fg0 s ARG 233 Ca 0.71 2.34 0.00 0.00 -1.04 0.00 0.00 55.73 57.74 2fg0 s ARG 233 Cb -0.45 -3.09 0.00 0.00 -2.04 0.00 0.00 34.95 29.36 2fg0 s ARG 233 CO 0.50 -0.44 0.00 2.89 -0.04 0.00 0.00 175.30 178.22