#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2b25 s PRO 7 N 0.00 1.43 0.22 5.56 0.04 -1.26 -4.72 135.00 136.26 2b25 s PRO 7 Ca 0.00 0.27 -0.30 0.00 0.04 0.00 0.00 61.00 61.01 2b25 s PRO 7 Cb 0.00 -1.87 -0.09 0.00 0.04 0.00 0.00 34.50 32.58 2b25 s PRO 7 CO 0.00 -1.99 1.24 -0.06 0.04 0.00 0.00 177.00 176.22 2b25 s PHE 8 N -3.35 3.34 0.12 0.56 0.08 0.16 -4.81 117.98 114.09 2b25 s PHE 8 Ca 0.63 1.38 0.07 0.00 0.12 0.00 0.00 56.93 59.13 2b25 s PHE 8 Cb -0.14 -3.50 -0.04 0.00 -0.57 0.00 0.00 43.02 38.77 2b25 s PHE 8 CO 0.52 -1.45 -0.16 -0.65 -0.10 0.00 0.00 175.22 173.38 2b25 s GLN 9 N -0.52 1.09 0.29 0.44 -0.21 -1.26 0.19 119.66 119.68 2b25 s GLN 9 Ca 0.53 -1.24 -0.29 0.00 0.02 0.00 0.00 55.36 54.37 2b25 s GLN 9 Cb -0.35 -1.10 -0.13 0.00 1.00 0.00 0.00 33.01 32.44 2b25 s GLN 9 CO 0.40 0.23 1.34 0.00 -2.12 0.00 0.00 175.29 175.13 2b25 n ALA 10 N 0.64 1.20 0.00 6.09 0.00 -1.26 -2.42 120.51 124.76 2b25 n ALA 10 Ca -0.16 0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.66 2b25 n ALA 10 Cb 0.56 -2.26 0.00 0.00 0.00 0.00 0.00 19.45 17.75 2b25 n ALA 10 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2b25 n GLY 11 N 1.45 0.96 3.74 0.00 0.00 0.53 -4.98 105.19 106.90 2b25 n GLY 11 Ca 0.08 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.69 2b25 n GLY 11 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2b25 s GLU 12 N -0.71 4.67 0.10 1.61 2.02 -1.02 -4.69 118.70 120.68 2b25 s GLU 12 Ca 0.00 1.66 -0.31 0.00 0.02 0.00 0.00 54.97 56.34 2b25 s GLU 12 Cb 0.00 -3.27 -0.08 0.00 0.10 0.00 0.00 34.13 30.88 2b25 s GLU 12 CO 0.00 0.21 1.43 -0.51 0.02 0.00 0.00 175.26 176.41 2b25 s LEU 13 N -0.71 4.36 0.12 1.80 1.43 -1.26 -0.78 118.68 123.64 2b25 s LEU 13 Ca 0.46 2.34 0.08 0.00 -1.03 0.00 0.00 54.13 55.99 2b25 s LEU 13 Cb -0.29 -3.58 -0.04 0.00 0.03 0.00 0.00 46.19 42.32 2b25 s LEU 13 CO 0.35 -0.70 -0.19 -0.63 0.23 0.00 0.00 176.35 175.41 2b25 s ILE 14 N 1.41 1.69 -0.21 -0.59 -1.09 0.77 -4.34 121.20 118.83 2b25 s ILE 14 Ca 0.66 -1.65 -0.01 0.00 -2.23 0.00 0.00 60.65 57.42 2b25 s ILE 14 Cb -0.37 -1.61 0.02 0.00 -1.58 0.00 0.00 42.46 38.91 2b25 s ILE 14 CO 0.30 -0.16 -0.11 -0.22 -1.23 0.00 0.00 174.94 173.51 2b25 s LEU 15 N -2.15 2.69 -0.14 2.97 2.96 0.11 -1.36 118.68 123.76 2b25 s LEU 15 Ca 0.09 -0.68 -0.05 0.00 -0.22 0.00 0.00 54.13 53.27 2b25 s LEU 15 Cb -0.08 -1.60 -0.04 0.00 0.50 0.00 0.00 46.19 44.97 2b25 s LEU 15 CO 0.05 -0.05 0.03 0.00 -1.32 0.00 0.00 176.35 175.06 2b25 s ALA 16 N 1.34 3.34 -0.01 5.97 0.00 0.10 -2.06 121.76 130.45 2b25 s ALA 16 Ca 0.03 -0.77 -0.03 0.00 0.00 0.00 0.00 51.96 51.20 2b25 s ALA 16 Cb -0.15 -1.71 0.00 0.00 0.00 0.00 0.00 23.12 21.27 2b25 s ALA 16 CO -0.08 0.38 0.06 -1.83 0.00 0.00 0.00 175.76 174.29 2b25 s GLU 17 N -0.22 0.21 -0.03 0.00 -1.05 -0.75 -0.27 118.70 116.58 2b25 s GLU 17 Ca 0.07 -0.14 0.11 0.00 -0.15 0.00 0.00 54.97 54.86 2b25 s GLU 17 Cb -0.12 0.09 0.20 0.00 -0.44 0.00 0.00 34.13 33.85 2b25 s GLU 17 CO 0.02 -0.04 1.10 -2.37 0.95 0.00 0.00 175.26 174.92 2b25 n THR 18 N 2.45 0.05 0.00 1.83 5.66 0.13 -1.76 114.28 122.65 2b25 n THR 18 Ca -0.17 -0.55 0.00 0.00 -3.05 0.00 0.00 64.05 60.29 2b25 n THR 18 Cb 0.58 0.75 0.00 0.00 -1.55 0.00 0.00 70.33 70.10 2b25 n THR 18 CO 0.00 0.00 0.00 0.41 -3.05 0.00 0.00 175.07 172.43 2b25 n THR 23 N 0.06 0.00 -3.73 1.09 -1.04 -1.26 -4.35 114.28 105.05 2b25 n THR 23 Ca -0.14 0.00 -0.32 0.00 -2.04 0.00 0.00 64.05 61.55 2b25 n THR 23 Cb 0.88 0.00 -0.05 0.00 -1.82 0.00 0.00 70.33 69.34 2b25 n THR 23 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 2b25 s LYS 24 N 0.00 3.59 -0.06 -2.82 1.02 -1.26 -5.10 119.74 115.11 2b25 s LYS 24 Ca 0.00 -0.12 -0.02 0.00 0.02 0.00 0.00 55.97 55.85 2b25 s LYS 24 Cb 0.00 -2.95 -0.04 0.00 -0.52 0.00 0.00 37.83 34.32 2b25 s LYS 24 CO 0.00 0.54 0.06 0.12 -0.92 0.00 0.00 175.35 175.15 2b25 s PHE 25 N -1.52 3.29 -0.01 3.18 5.36 -1.26 -5.12 117.98 121.91 2b25 s PHE 25 Ca 0.36 0.26 0.00 0.00 -0.96 0.00 0.00 56.93 56.59 2b25 s PHE 25 Cb -0.13 -1.79 0.01 0.00 -0.34 0.00 0.00 43.02 40.77 2b25 s PHE 25 CO 0.22 0.55 0.00 -1.59 -1.46 0.00 0.00 175.22 172.95 2b25 s LYS 26 N -1.27 0.02 -0.03 10.12 0.00 -1.26 0.19 119.74 127.51 2b25 s LYS 26 Ca 0.18 0.04 -0.03 0.00 0.00 0.00 0.00 55.97 56.15 2b25 s LYS 26 Cb -0.12 -0.10 0.01 0.00 0.00 0.00 0.00 37.83 37.62 2b25 s LYS 26 CO 0.07 -0.04 0.08 0.21 0.00 0.00 0.00 175.35 175.68 2b25 s LYS 27 N 0.28 0.11 -0.12 1.78 2.47 0.63 -4.98 119.74 119.91 2b25 s LYS 27 Ca -0.02 0.08 -0.00 0.00 -1.56 0.00 0.00 55.97 54.46 2b25 s LYS 27 Cb -0.04 0.05 -0.02 0.00 -1.46 0.00 0.00 37.83 36.37 2b25 s LYS 27 CO -0.01 -0.02 -0.11 -1.17 0.16 0.00 0.00 175.35 174.21 2b25 s LEU 28 N -0.04 2.87 -0.02 5.43 2.96 -1.26 0.02 118.68 128.63 2b25 s LEU 28 Ca -0.01 -0.24 -0.18 0.00 -0.22 0.00 0.00 54.13 53.49 2b25 s LEU 28 Cb -0.01 -1.64 0.03 0.00 0.50 0.00 0.00 46.19 45.07 2b25 s LEU 28 CO 0.00 0.21 0.38 0.72 -1.32 0.00 0.00 176.35 176.35 2b25 s PHE 29 N 0.07 -0.27 -0.21 5.38 -0.12 -0.46 -4.97 117.98 117.39 2b25 s PHE 29 Ca -0.04 0.43 -0.29 0.00 -0.05 0.00 0.00 56.93 56.98 2b25 s PHE 29 Cb -0.14 0.16 -0.01 0.00 -0.63 0.00 0.00 43.02 42.39 2b25 s PHE 29 CO 0.04 -0.43 1.30 0.50 -0.05 0.00 0.00 175.22 176.57 2b25 s ARG 30 N -1.30 4.11 -0.00 1.99 3.52 -1.26 -0.16 118.95 125.85 2b25 s ARG 30 Ca -0.13 1.54 -0.30 0.00 -0.13 0.00 0.00 55.73 56.71 2b25 s ARG 30 Cb -0.04 -3.82 -0.04 0.00 -1.56 0.00 0.00 34.95 29.49 2b25 s ARG 30 CO 0.05 -0.87 1.10 -1.17 -0.81 0.00 0.00 175.30 173.60 2b25 s LEU 31 N 3.87 4.34 0.45 -0.88 2.96 0.04 -4.89 118.68 124.56 2b25 s LEU 31 Ca 0.56 1.79 0.07 0.00 -0.22 0.00 0.00 54.13 56.33 2b25 s LEU 31 Cb -0.20 -3.57 -0.02 0.00 0.50 0.00 0.00 46.19 42.90 2b25 s LEU 31 CO 0.18 -0.41 0.30 0.20 -1.32 0.00 0.00 176.35 175.31 2b25 s ASN 32 N 1.12 4.69 0.45 3.68 -0.87 -1.26 0.20 114.94 122.95 2b25 s ASN 32 Ca 0.55 -1.01 0.22 0.00 -1.57 0.00 0.00 52.86 51.05 2b25 s ASN 32 Cb -0.24 -0.28 1.06 0.00 -0.02 0.00 0.00 41.25 41.77 2b25 s ASN 32 CO 0.26 -0.72 1.91 0.78 -2.57 0.00 0.00 177.10 176.76 2b25 h ASN 33 N 1.12 0.00 -3.78 -1.22 2.35 -1.95 -3.43 115.58 108.67 2b25 h ASN 33 Ca -0.41 0.00 -0.28 0.00 -0.55 0.00 0.00 56.30 55.06 2b25 h ASN 33 Cb 1.27 0.00 -0.29 0.00 0.05 0.00 0.00 38.32 39.35 2b25 h ASN 33 CO 0.62 0.24 -0.74 -0.36 -1.65 0.00 0.00 177.43 175.54 2b25 s PHE 34 N -3.98 0.23 -5.00 1.19 0.08 -1.26 -4.14 117.98 105.10 2b25 s PHE 34 Ca -0.02 -0.04 0.00 0.00 0.12 0.00 0.00 56.93 57.00 2b25 s PHE 34 Cb 0.12 -0.18 0.00 0.00 -0.57 0.00 0.00 43.02 42.40 2b25 s PHE 34 CO 0.64 -0.02 0.00 0.41 -0.10 0.00 0.00 175.22 176.15 2b25 n GLY 35 N 3.16 0.63 2.90 4.36 0.00 -1.26 -4.96 105.19 110.02 2b25 n GLY 35 Ca -0.14 -1.80 -0.14 0.00 0.00 0.00 0.00 46.02 43.94 2b25 n GLY 35 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2b25 s LEU 36 N 0.00 0.79 -0.12 0.99 1.43 -1.26 -0.74 118.68 119.77 2b25 s LEU 36 Ca 0.00 0.26 -0.29 0.00 -1.03 0.00 0.00 54.13 53.07 2b25 s LEU 36 Cb 0.00 0.30 -0.04 0.00 0.03 0.00 0.00 46.19 46.48 2b25 s LEU 36 CO 0.00 -0.14 1.63 -0.22 0.23 0.00 0.00 176.35 177.85 2b25 s LEU 37 N 1.13 4.16 -0.35 1.79 2.96 -1.26 -4.90 118.68 122.21 2b25 s LEU 37 Ca -0.09 2.00 0.01 0.00 -0.22 0.00 0.00 54.13 55.83 2b25 s LEU 37 Cb -0.11 -3.53 0.14 0.00 0.50 0.00 0.00 46.19 43.19 2b25 s LEU 37 CO -0.05 -1.04 0.28 0.21 -1.32 0.00 0.00 176.35 174.42 2b25 s ASN 38 N 3.66 2.16 0.28 3.68 3.84 -1.26 -4.76 114.94 122.53 2b25 s ASN 38 Ca 0.72 -1.74 0.00 0.00 0.21 0.00 0.00 52.86 52.05 2b25 s ASN 38 Cb -0.30 0.08 0.00 0.00 -0.55 0.00 0.00 41.25 40.48 2b25 s ASN 38 CO 0.28 -0.31 0.00 0.52 -2.79 0.00 0.00 177.10 174.81 2b25 n VAL 44 N 4.33 -5.65 -2.34 -5.21 0.31 -1.26 -5.21 118.33 103.31 2b25 n VAL 44 Ca 0.09 2.22 -0.41 0.00 -0.01 0.00 0.00 64.34 66.23 2b25 n VAL 44 Cb 0.42 -3.03 -0.03 0.00 -0.91 0.00 0.00 33.84 30.28 2b25 n VAL 44 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 2b25 s PRO 45 N -1.56 4.47 0.40 5.55 0.04 -1.26 -4.49 135.00 138.16 2b25 s PRO 45 Ca 0.00 1.91 0.21 0.00 0.04 0.00 0.00 61.00 63.16 2b25 s PRO 45 Cb 0.00 -3.23 1.19 0.00 0.04 0.00 0.00 34.50 32.50 2b25 s PRO 45 CO 0.00 -0.11 1.71 0.74 0.04 0.00 0.00 177.00 179.38 2b25 h PHE 46 N 5.18 0.67 0.00 0.56 -1.00 -1.26 0.56 116.94 121.64 2b25 h PHE 46 Ca -0.45 0.03 -0.00 0.00 2.81 0.00 0.00 57.97 60.35 2b25 h PHE 46 Cb 1.21 -0.18 -0.00 0.00 3.61 0.00 0.00 35.95 40.59 2b25 h PHE 46 CO 0.62 -0.05 -0.02 0.78 -1.61 0.00 0.00 178.31 178.03 2b25 h GLY 47 N 0.30 0.00 1.50 -1.45 0.00 -1.80 -0.89 103.07 100.73 2b25 h GLY 47 Ca 0.68 0.00 0.00 0.00 0.00 0.00 0.00 47.33 48.01 2b25 h GLY 47 CO -0.38 0.00 -0.28 1.17 0.00 0.00 0.00 176.54 177.05 2b25 n LYS 48 N -4.40 0.07 -0.07 4.80 4.81 0.18 -4.32 118.16 119.24 2b25 n LYS 48 Ca -0.03 0.04 -0.04 0.00 -0.87 0.00 0.00 58.31 57.40 2b25 n LYS 48 Cb 0.11 -1.56 -0.01 0.00 0.02 0.00 0.00 35.03 33.58 2b25 n LYS 48 CO 0.00 0.00 0.00 -0.89 1.17 0.00 0.00 177.40 177.68 2b25 n ILE 49 N -1.67 1.29 -1.55 3.15 5.41 -0.40 -4.76 119.36 120.83 2b25 n ILE 49 Ca 0.06 0.24 -0.58 0.00 1.00 0.00 0.00 62.75 63.47 2b25 n ILE 49 Cb 0.36 -2.31 -0.08 0.00 -0.71 0.00 0.00 39.64 36.91 2b25 n ILE 49 CO 0.00 0.00 0.00 0.55 0.00 0.00 0.00 176.55 177.10 2b25 n VAL 50 N -4.39 0.01 0.00 1.39 3.14 -0.84 -1.10 118.33 116.54 2b25 n VAL 50 Ca -0.07 -0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.31 2b25 n VAL 50 Cb 0.26 -0.27 0.00 0.00 -1.06 0.00 0.00 33.84 32.77 2b25 n VAL 50 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2b25 n GLY 51 N 2.01 3.38 3.92 7.55 0.00 0.13 -4.91 105.19 117.27 2b25 n GLY 51 Ca 0.21 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.94 2b25 n GLY 51 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2b25 s LYS 52 N -0.78 1.72 0.25 1.61 1.02 -0.25 -4.43 119.74 118.88 2b25 s LYS 52 Ca 0.00 -0.14 0.10 0.00 0.02 0.00 0.00 55.97 55.95 2b25 s LYS 52 Cb 0.00 -1.99 -0.04 0.00 -0.52 0.00 0.00 37.83 35.27 2b25 s LYS 52 CO 0.00 -1.69 -0.04 -0.06 -0.92 0.00 0.00 175.35 172.65 2b25 s PHE 53 N -3.55 2.65 0.25 3.18 0.40 -1.26 0.37 117.98 120.01 2b25 s PHE 53 Ca 0.64 -0.23 -0.30 0.00 -0.60 0.00 0.00 56.93 56.44 2b25 s PHE 53 Cb -0.09 -1.19 -0.14 0.00 0.51 0.00 0.00 43.02 42.11 2b25 s PHE 53 CO 0.49 0.61 1.23 -2.30 0.70 0.00 0.00 175.22 175.95 2b25 n PRO 54 N -0.71 1.64 -0.28 0.24 -0.02 -1.26 -2.27 135.00 132.34 2b25 n PRO 54 Ca -0.07 0.58 0.00 0.00 -2.02 0.00 0.00 63.50 61.99 2b25 n PRO 54 Cb 0.58 -2.12 0.00 0.00 -0.02 0.00 0.00 33.50 31.95 2b25 n PRO 54 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2b25 n GLY 55 N 1.72 0.65 3.69 -1.23 0.00 0.68 -5.00 105.19 105.71 2b25 n GLY 55 Ca 0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 2b25 n GLY 55 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2b25 s GLN 56 N -0.71 4.29 -0.08 1.61 2.00 -0.96 -4.79 119.66 121.03 2b25 s GLN 56 Ca 0.00 1.99 -0.14 0.00 -2.00 0.00 0.00 55.36 55.21 2b25 s GLN 56 Cb 0.00 -3.52 -0.05 0.00 0.80 0.00 0.00 33.01 30.24 2b25 s GLN 56 CO 0.00 -0.55 0.34 0.42 -0.50 0.00 0.00 175.29 175.01 2b25 s ILE 57 N 2.16 5.19 -0.04 -2.34 1.01 -1.26 -1.16 121.20 124.77 2b25 s ILE 57 Ca 0.64 0.68 0.01 0.00 0.00 0.00 0.00 60.65 61.97 2b25 s ILE 57 Cb -0.32 -3.65 0.02 0.00 0.01 0.00 0.00 42.46 38.52 2b25 s ILE 57 CO 0.27 0.50 -0.02 -0.76 0.00 0.00 0.00 174.94 174.94 2b25 s LEU 58 N -0.45 1.20 0.25 2.97 1.43 0.41 -4.96 118.68 119.53 2b25 s LEU 58 Ca 0.21 -0.08 -0.30 0.00 -1.03 0.00 0.00 54.13 52.92 2b25 s LEU 58 Cb -0.15 -0.35 -0.10 0.00 0.03 0.00 0.00 46.19 45.62 2b25 s LEU 58 CO 0.09 -0.08 1.48 -0.13 0.23 0.00 0.00 176.35 177.94 2b25 s ARG 59 N 1.04 4.24 0.89 1.70 3.00 -1.26 -1.50 118.95 127.06 2b25 s ARG 59 Ca -0.09 2.35 -0.14 0.00 0.00 0.00 0.00 55.73 57.85 2b25 s ARG 59 Cb -0.14 -3.10 0.15 0.00 0.00 0.00 0.00 34.95 31.86 2b25 s ARG 59 CO -0.01 -0.48 1.25 -1.54 0.00 0.00 0.00 175.30 174.53 2b25 s SER 60 N 0.47 3.69 0.38 0.23 1.04 0.25 -4.81 113.70 114.95 2b25 s SER 60 Ca 0.61 0.43 0.17 0.00 0.48 0.00 0.00 55.95 57.64 2b25 s SER 60 Cb -0.43 -0.66 1.08 0.00 0.10 0.00 0.00 66.02 66.11 2b25 s SER 60 CO 0.43 -2.38 1.75 0.77 0.98 0.00 0.00 173.24 174.79 2b25 h SER 61 N -1.37 0.48 0.50 7.02 4.64 -1.96 -0.99 113.55 121.88 2b25 h SER 61 Ca -0.45 0.10 0.00 0.00 -0.47 0.00 0.00 61.79 60.97 2b25 h SER 61 Cb 1.27 0.03 0.00 0.00 -0.31 0.00 0.00 62.40 63.39 2b25 h SER 61 CO 0.48 0.07 -0.16 0.49 -0.87 0.00 0.00 176.83 176.85 2b25 n PHE 62 N -4.69 0.00 -0.70 4.77 3.72 -1.26 -4.90 117.46 114.40 2b25 n PHE 62 Ca 0.26 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.66 2b25 n PHE 62 Cb 0.89 -0.25 0.00 0.00 -0.94 0.00 0.00 39.48 39.17 2b25 n PHE 62 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2b25 n GLY 63 N 1.36 0.62 3.94 1.37 0.00 -0.37 -5.07 105.19 107.03 2b25 n GLY 63 Ca 0.11 -0.26 -0.25 0.00 0.00 0.00 0.00 46.02 45.63 2b25 n GLY 63 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2b25 s LYS 64 N -0.67 2.19 -0.15 1.61 3.01 -1.26 -4.74 119.74 119.73 2b25 s LYS 64 Ca 0.00 -0.40 -0.03 0.00 -1.01 0.00 0.00 55.97 54.53 2b25 s LYS 64 Cb 0.00 -2.23 -0.02 0.00 -1.01 0.00 0.00 37.83 34.57 2b25 s LYS 64 CO 0.00 -1.18 -0.06 -1.14 0.51 0.00 0.00 175.35 173.47 2b25 s GLN 65 N -5.17 3.56 -0.08 1.68 2.00 -1.26 0.84 119.66 121.24 2b25 s GLN 65 Ca 0.60 -0.58 0.05 0.00 -2.00 0.00 0.00 55.36 53.44 2b25 s GLN 65 Cb -0.10 -2.84 -0.01 0.00 0.80 0.00 0.00 33.01 30.86 2b25 s GLN 65 CO 0.44 0.19 -0.24 0.71 -0.50 0.00 0.00 175.29 175.89 2b25 s TYR 66 N 0.46 2.50 -0.14 1.67 2.02 -0.56 -4.53 117.35 118.77 2b25 s TYR 66 Ca -0.05 -0.83 -0.03 0.00 -0.37 0.00 0.00 57.07 55.79 2b25 s TYR 66 Cb -0.15 -1.65 -0.03 0.00 -0.40 0.00 0.00 41.96 39.74 2b25 s TYR 66 CO 0.03 -0.28 -0.04 1.41 -1.57 0.00 0.00 175.55 175.10 2b25 s MET 67 N 0.03 3.56 -0.14 -0.62 -2.45 -0.72 -0.45 119.30 118.51 2b25 s MET 67 Ca -0.09 -0.52 -0.01 0.00 -1.25 0.00 0.00 55.69 53.81 2b25 s MET 67 Cb -0.15 -2.87 -0.02 0.00 1.25 0.00 0.00 34.83 33.04 2b25 s MET 67 CO 0.06 0.29 -0.10 -0.51 1.05 0.00 0.00 175.02 175.81 2b25 s LEU 68 N 0.21 2.87 0.37 4.11 2.01 -0.31 -1.82 118.68 126.13 2b25 s LEU 68 Ca -0.03 -0.27 -0.08 0.00 0.01 0.00 0.00 54.13 53.77 2b25 s LEU 68 Cb -0.14 -1.66 0.03 0.00 0.01 0.00 0.00 46.19 44.43 2b25 s LEU 68 CO 0.03 0.17 0.61 0.00 1.01 0.00 0.00 176.35 178.17 2b25 s ARG 69 N 0.35 2.07 0.06 1.70 1.70 -0.87 -0.23 118.95 123.73 2b25 s ARG 69 Ca -0.09 -1.63 -0.17 0.00 -0.47 0.00 0.00 55.73 53.36 2b25 s ARG 69 Cb -0.15 0.52 -0.06 0.00 -0.57 0.00 0.00 34.95 34.69 2b25 s ARG 69 CO 0.05 -0.91 0.52 1.03 -1.08 0.00 0.00 175.30 174.91 2b25 s ARG 70 N -2.70 4.08 0.26 3.89 0.52 -1.26 0.05 118.95 123.80 2b25 s ARG 70 Ca 0.24 0.61 -0.30 0.00 -0.52 0.00 0.00 55.73 55.76 2b25 s ARG 70 Cb -0.02 -3.19 -0.10 0.00 0.52 0.00 0.00 34.95 32.16 2b25 s ARG 70 CO 0.17 0.63 1.37 -1.25 0.02 0.00 0.00 175.30 176.24 2b25 s PRO 71 N -1.24 4.32 0.66 3.54 0.04 -1.26 -4.83 135.00 136.23 2b25 s PRO 71 Ca 0.29 2.22 -0.07 0.00 0.04 0.00 0.00 61.00 63.47 2b25 s PRO 71 Cb -0.18 -3.12 0.03 0.00 0.04 0.00 0.00 34.50 31.27 2b25 s PRO 71 CO 0.17 -0.31 0.98 0.00 0.04 0.00 0.00 177.00 177.88 2b25 s ALA 72 N -0.30 3.17 0.37 8.56 0.00 -1.26 -4.89 121.76 127.41 2b25 s ALA 72 Ca 0.56 -0.73 0.11 0.00 0.00 0.00 0.00 51.96 51.89 2b25 s ALA 72 Cb -0.40 -2.67 0.88 0.00 0.00 0.00 0.00 23.12 20.93 2b25 s ALA 72 CO 0.45 -1.07 1.87 1.25 0.00 0.00 0.00 175.76 178.26 2b25 h LEU 73 N -0.43 0.60 -0.12 0.00 5.85 -1.99 -1.24 115.31 117.97 2b25 h LEU 73 Ca -0.45 0.04 0.04 0.00 0.84 0.00 0.00 57.88 58.35 2b25 h LEU 73 Cb 1.28 -0.08 -0.04 0.00 0.37 0.00 0.00 40.66 42.19 2b25 h LEU 73 CO 0.61 0.29 -0.13 -0.33 -0.34 0.00 0.00 178.44 178.55 2b25 h GLU 74 N 0.62 -0.15 -0.13 1.25 3.07 -2.00 -2.66 114.58 114.58 2b25 h GLU 74 Ca 0.45 0.01 -0.01 0.00 -0.50 0.00 0.00 59.36 59.31 2b25 h GLU 74 Cb 0.80 0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 28.74 2b25 h GLU 74 CO -0.20 -0.10 0.04 -0.44 -1.40 0.00 0.00 179.01 176.91 2b25 h ASP 75 N -0.16 0.19 -0.02 1.42 3.32 -1.78 -3.30 116.42 116.10 2b25 h ASP 75 Ca 0.08 -0.20 0.03 0.00 0.02 0.00 0.00 57.03 56.96 2b25 h ASP 75 Cb 0.28 -0.05 -0.05 0.00 0.22 0.00 0.00 39.33 39.73 2b25 h ASP 75 CO -0.21 0.35 -0.25 0.22 -1.72 0.00 0.00 179.24 177.62 2b25 h TYR 76 N 0.03 -0.67 0.00 4.55 3.20 -1.16 -2.48 116.97 120.44 2b25 h TYR 76 Ca 0.04 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.94 2b25 h TYR 76 Cb 0.22 0.30 0.00 0.00 1.54 0.00 0.00 36.73 38.79 2b25 h TYR 76 CO -0.00 -0.34 0.00 -0.39 -1.64 0.00 0.00 178.16 175.79 2b25 h VAL 77 N -0.38 0.00 0.00 1.81 -1.51 -1.55 0.41 116.25 115.03 2b25 h VAL 77 Ca 0.07 -0.31 -0.04 0.00 -1.23 0.00 0.00 66.70 65.19 2b25 h VAL 77 Cb 0.47 1.19 -0.01 0.00 -2.13 0.00 0.00 31.29 30.81 2b25 h VAL 77 CO -0.23 0.00 -1.08 -0.37 -1.23 0.00 0.00 177.57 174.66 2b25 h VAL 78 N 0.00 0.11 0.00 7.19 -1.51 -1.57 -3.41 116.25 117.06 2b25 h VAL 78 Ca 0.00 -1.21 -0.24 0.00 -1.23 0.00 0.00 66.70 64.01 2b25 h VAL 78 Cb 0.35 1.62 -0.05 0.00 -2.13 0.00 0.00 31.29 31.08 2b25 h VAL 78 CO 0.00 0.06 -1.99 0.18 -1.23 0.00 0.00 177.57 174.59 2b25 n LEU 79 N -2.73 0.00 -4.49 4.19 4.77 -0.53 -5.02 117.00 113.19 2b25 n LEU 79 Ca -0.02 0.00 -0.32 0.00 -0.03 0.00 0.00 56.01 55.64 2b25 n LEU 79 Cb 0.61 0.33 0.15 0.00 -2.33 0.00 0.00 43.42 42.18 2b25 n LEU 79 CO 0.41 0.33 0.18 1.15 -1.33 0.00 0.00 177.39 178.12 2b25 n MET 80 N -2.50 -0.62 -2.03 3.23 0.00 0.13 -4.90 117.12 110.44 2b25 n MET 80 Ca -0.22 -0.13 -0.41 0.00 0.00 0.00 0.00 57.70 56.93 2b25 n MET 80 Cb 0.93 -2.04 -0.02 0.00 0.00 0.00 0.00 33.22 32.08 2b25 n MET 80 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 175.97 176.12 2b25 s LYS 81 N -4.02 4.28 0.10 3.17 3.01 -1.26 -4.99 119.74 120.03 2b25 s LYS 81 Ca 0.61 2.28 0.09 0.00 -1.01 0.00 0.00 55.97 57.93 2b25 s LYS 81 Cb -0.21 -3.12 -0.04 0.00 -1.01 0.00 0.00 37.83 33.45 2b25 s LYS 81 CO 0.64 -0.42 -0.22 1.03 0.51 0.00 0.00 175.35 176.89 2b25 s ARG 82 N -0.21 1.16 0.00 1.68 0.52 -1.26 -4.99 118.95 115.85 2b25 s ARG 82 Ca 0.60 -1.18 0.08 0.00 -0.52 0.00 0.00 55.73 54.70 2b25 s ARG 82 Cb -0.41 -1.45 0.15 0.00 0.52 0.00 0.00 34.95 33.76 2b25 s ARG 82 CO 0.42 0.34 1.01 0.41 0.02 0.00 0.00 175.30 177.50 2b25 n GLY 83 N 1.08 1.49 3.11 -3.53 0.00 -1.26 -5.03 105.19 101.04 2b25 n GLY 83 Ca -0.19 -0.25 -0.07 0.00 0.00 0.00 0.00 46.02 45.51 2b25 n GLY 83 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2b25 s THR 84 N -0.86 0.20 0.38 2.61 -4.23 -1.26 -4.98 115.64 107.50 2b25 s THR 84 Ca 0.13 -1.72 -0.27 0.00 -1.18 0.00 0.00 61.69 58.65 2b25 s THR 84 Cb 0.08 -1.51 -0.11 0.00 1.34 0.00 0.00 72.50 72.29 2b25 s THR 84 CO 0.10 -0.93 1.28 0.00 -0.54 0.00 0.00 174.62 174.53 2b25 n ALA 85 N 0.08 1.28 -1.59 3.99 0.00 -1.26 -4.88 120.51 118.13 2b25 n ALA 85 Ca -0.14 0.32 -0.48 0.00 0.00 0.00 0.00 53.44 53.14 2b25 n ALA 85 Cb 0.61 -2.26 -0.03 0.00 0.00 0.00 0.00 19.45 17.77 2b25 n ALA 85 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 2b25 n ILE 86 N 0.09 1.08 -3.58 0.00 5.41 -1.26 -4.97 119.36 116.12 2b25 n ILE 86 Ca 0.06 -0.27 -0.41 0.00 1.00 0.00 0.00 62.75 63.13 2b25 n ILE 86 Cb 0.38 -0.95 -0.10 0.00 -0.71 0.00 0.00 39.64 38.26 2b25 n ILE 86 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 176.55 175.66 2b25 s THR 87 N -0.31 4.39 0.29 1.39 2.01 -1.26 -5.08 115.64 117.07 2b25 s THR 87 Ca 0.70 -1.26 -0.29 0.00 0.31 0.00 0.00 61.69 61.15 2b25 s THR 87 Cb -0.80 -3.63 -0.10 0.00 0.01 0.00 0.00 72.50 67.98 2b25 s THR 87 CO 0.53 -0.46 1.13 -0.36 -0.69 0.00 0.00 174.62 174.77 2b25 s PHE 88 N 1.47 3.51 0.57 4.92 0.08 -1.26 -4.85 117.98 122.41 2b25 s PHE 88 Ca 0.03 1.66 0.28 0.00 0.12 0.00 0.00 56.93 59.02 2b25 s PHE 88 Cb -0.22 -3.34 1.49 0.00 -0.57 0.00 0.00 43.02 40.39 2b25 s PHE 88 CO 0.03 -0.72 1.97 -1.35 -0.10 0.00 0.00 175.22 175.06 2b25 h PRO 89 N 3.75 0.00 -0.13 0.24 0.11 -1.97 -0.84 132.00 133.16 2b25 h PRO 89 Ca -0.47 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 65.57 2b25 h PRO 89 Cb 1.21 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.31 2b25 h PRO 89 CO 0.67 0.00 -0.22 1.57 -0.21 0.00 0.00 178.00 179.81 2b25 h LYS 90 N 0.00 0.22 0.17 1.05 2.10 -1.99 -0.80 116.57 117.31 2b25 h LYS 90 Ca 0.21 -0.06 -0.23 0.00 -2.00 0.00 0.00 60.65 58.57 2b25 h LYS 90 Cb 1.00 -0.02 0.03 0.00 -0.90 0.00 0.00 32.23 32.33 2b25 h LYS 90 CO -0.00 0.43 -1.00 -0.44 -2.00 0.00 0.00 179.45 176.44 2b25 h ASP 91 N 0.20 0.57 -0.02 7.07 3.32 -1.57 -3.18 116.42 122.81 2b25 h ASP 91 Ca 0.04 -0.94 -0.00 0.00 0.02 0.00 0.00 57.03 56.14 2b25 h ASP 91 Cb 0.50 -0.18 -0.00 0.00 0.22 0.00 0.00 39.33 39.87 2b25 h ASP 91 CO 0.03 1.48 0.01 0.40 -1.72 0.00 0.00 179.24 179.45 2b25 h ILE 92 N -0.24 1.06 -0.36 0.35 2.04 -1.11 -1.34 117.51 117.90 2b25 h ILE 92 Ca -0.18 -0.17 0.08 0.00 1.00 0.00 0.00 64.86 65.60 2b25 h ILE 92 Cb 1.78 1.13 -0.02 0.00 -0.74 0.00 0.00 36.82 38.97 2b25 h ILE 92 CO 0.18 0.05 0.25 0.78 0.00 0.00 0.00 178.15 179.41 2b25 h ASN 93 N -0.03 0.13 -0.13 1.72 2.35 -1.30 -1.93 115.58 116.39 2b25 h ASN 93 Ca 0.01 0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 55.70 2b25 h ASN 93 Cb 0.06 -0.03 -0.00 0.00 0.05 0.00 0.00 38.32 38.41 2b25 h ASN 93 CO -0.00 0.08 -0.15 -0.03 -1.65 0.00 0.00 177.43 175.68 2b25 h MET 94 N 0.14 0.33 -0.58 0.81 4.05 -1.27 -2.00 114.93 116.43 2b25 h MET 94 Ca 0.17 -0.18 0.10 0.00 -0.28 0.00 0.00 59.70 59.51 2b25 h MET 94 Cb 0.48 0.01 -0.08 0.00 -0.80 0.00 0.00 31.60 31.21 2b25 h MET 94 CO -0.02 0.74 0.14 0.82 0.23 0.00 0.00 176.91 178.82 2b25 h ILE 95 N -0.05 0.68 -0.16 1.77 1.08 -0.71 0.25 117.51 120.36 2b25 h ILE 95 Ca 0.02 -0.10 -0.01 0.00 -0.39 0.00 0.00 64.86 64.38 2b25 h ILE 95 Cb 0.69 0.38 -0.01 0.00 -3.07 0.00 0.00 36.82 34.81 2b25 h ILE 95 CO 0.04 0.05 0.06 -0.07 -0.69 0.00 0.00 178.15 177.54 2b25 h LEU 96 N 0.28 0.22 -0.62 1.44 3.38 -1.37 0.41 115.31 119.05 2b25 h LEU 96 Ca 0.30 -0.17 0.04 0.00 0.09 0.00 0.00 57.88 58.14 2b25 h LEU 96 Cb 0.42 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 41.07 2b25 h LEU 96 CO -0.37 0.33 0.37 -1.28 0.09 0.00 0.00 178.44 177.58 2b25 h SER 97 N 0.11 0.59 -0.81 -0.43 0.87 -0.80 -1.84 113.55 111.24 2b25 h SER 97 Ca 0.05 0.01 0.07 0.00 -1.23 0.00 0.00 61.79 60.69 2b25 h SER 97 Cb 0.18 -0.11 -0.06 0.00 -0.44 0.00 0.00 62.40 61.96 2b25 h SER 97 CO -0.00 0.40 0.48 0.24 -0.53 0.00 0.00 176.83 177.42 2b25 h MET 98 N 0.72 0.84 0.00 2.24 2.86 -0.18 -2.93 114.93 118.47 2b25 h MET 98 Ca 0.26 -0.05 -0.01 0.00 -2.06 0.00 0.00 59.70 57.84 2b25 h MET 98 Cb 0.07 -0.19 -0.00 0.00 0.06 0.00 0.00 31.60 31.54 2b25 h MET 98 CO -0.13 0.55 -0.04 0.52 1.06 0.00 0.00 176.91 178.87 2b25 h MET 99 N 0.86 0.00 -6.12 1.72 2.07 -0.10 -3.47 114.93 109.89 2b25 h MET 99 Ca 0.36 0.00 -0.26 0.00 -2.07 0.00 0.00 59.70 57.73 2b25 h MET 99 Cb 0.22 0.00 0.01 0.00 -1.87 0.00 0.00 31.60 29.96 2b25 h MET 99 CO -0.19 0.04 -0.83 -3.47 1.07 0.00 0.00 176.91 173.53 2b25 n ASP 100 N -3.16 -6.28 -4.77 1.22 2.03 -0.93 -4.59 116.55 100.06 2b25 n ASP 100 Ca 0.00 -0.17 -0.36 0.00 0.52 0.00 0.00 54.79 54.78 2b25 n ASP 100 Cb 0.32 -3.11 -0.08 0.00 -0.72 0.00 0.00 41.12 37.54 2b25 n ASP 100 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 2b25 s ILE 101 N -2.34 5.03 0.15 5.18 1.01 -1.26 -5.00 121.20 123.97 2b25 s ILE 101 Ca 0.20 0.03 0.10 0.00 0.00 0.00 0.00 60.65 60.98 2b25 s ILE 101 Cb -0.03 -3.19 -0.04 0.00 0.01 0.00 0.00 42.46 39.21 2b25 s ILE 101 CO 0.84 0.57 -0.22 0.20 0.00 0.00 0.00 174.94 176.33 2b25 s ASN 102 N -0.63 2.94 0.24 3.58 -0.87 -1.26 -5.00 114.94 113.95 2b25 s ASN 102 Ca 0.12 -0.80 -0.31 0.00 -1.57 0.00 0.00 52.86 50.29 2b25 s ASN 102 Cb -0.12 -0.19 -0.13 0.00 -0.02 0.00 0.00 41.25 40.79 2b25 s ASN 102 CO 0.02 0.06 1.40 -2.65 -2.57 0.00 0.00 177.10 173.37 2b25 n PRO 103 N 0.58 2.03 0.00 -0.60 -0.02 -1.24 -1.32 135.00 134.43 2b25 n PRO 103 Ca -0.15 0.72 0.00 0.00 -2.02 0.00 0.00 63.50 62.05 2b25 n PRO 103 Cb 0.55 -2.38 0.00 0.00 -0.02 0.00 0.00 33.50 31.65 2b25 n PRO 103 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2b25 n GLY 104 N 2.12 1.38 3.62 -1.23 0.00 0.41 -4.95 105.19 106.54 2b25 n GLY 104 Ca 0.11 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.84 2b25 n GLY 104 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2b25 s ASP 105 N -1.71 2.26 -0.15 1.61 1.01 -0.44 -4.48 116.67 114.77 2b25 s ASP 105 Ca 0.00 1.52 -0.00 0.00 0.71 0.00 0.00 52.55 54.77 2b25 s ASP 105 Cb 0.00 -2.20 0.04 0.00 1.01 0.00 0.00 42.92 41.77 2b25 s ASP 105 CO 0.00 -3.40 -0.06 -0.89 0.21 0.00 0.00 175.17 171.02 2b25 s THR 106 N -2.73 1.13 0.03 -1.27 2.01 -1.26 -1.59 115.64 111.96 2b25 s THR 106 Ca 0.66 -0.55 0.08 0.00 0.31 0.00 0.00 61.69 62.19 2b25 s THR 106 Cb -0.21 -1.24 -0.02 0.00 0.01 0.00 0.00 72.50 71.03 2b25 s THR 106 CO 0.60 0.21 -0.23 0.68 -0.69 0.00 0.00 174.62 175.19 2b25 s VAL 107 N 1.64 1.83 -0.00 3.82 -7.23 -0.22 -0.76 120.40 119.47 2b25 s VAL 107 Ca 0.02 -1.18 -0.02 0.00 -1.81 0.00 0.00 61.98 58.99 2b25 s VAL 107 Cb -0.14 -1.56 -0.04 0.00 0.56 0.00 0.00 36.38 35.20 2b25 s VAL 107 CO -0.08 0.34 0.18 -0.22 -0.31 0.00 0.00 175.10 175.01 2b25 s LEU 108 N -1.00 4.34 0.01 1.32 2.96 -0.82 -0.49 118.68 125.00 2b25 s LEU 108 Ca 0.09 0.33 0.01 0.00 -0.22 0.00 0.00 54.13 54.33 2b25 s LEU 108 Cb -0.09 -2.63 -0.01 0.00 0.50 0.00 0.00 46.19 43.96 2b25 s LEU 108 CO 0.01 0.25 -0.03 -0.70 -1.32 0.00 0.00 176.35 174.56 2b25 s GLU 109 N -1.98 0.25 -0.07 1.98 2.12 -0.30 -0.88 118.70 119.82 2b25 s GLU 109 Ca 0.28 -0.23 -0.05 0.00 0.36 0.00 0.00 54.97 55.33 2b25 s GLU 109 Cb -0.13 -0.17 0.03 0.00 0.26 0.00 0.00 34.13 34.12 2b25 s GLU 109 CO 0.19 0.04 0.18 0.00 -0.54 0.00 0.00 175.26 175.13 2b25 s ALA 110 N -0.37 -0.39 0.00 6.30 0.00 -1.04 -0.89 121.76 125.36 2b25 s ALA 110 Ca -0.02 0.65 0.00 0.00 0.00 0.00 0.00 51.96 52.58 2b25 s ALA 110 Cb -0.03 -0.41 0.00 0.00 0.00 0.00 0.00 23.12 22.68 2b25 s ALA 110 CO -0.00 -0.13 0.00 0.41 0.00 0.00 0.00 175.76 176.04 2b25 n GLY 111 N 3.64 0.86 0.32 0.00 0.00 -1.01 -1.93 105.19 107.07 2b25 n GLY 111 Ca -0.20 -0.55 0.06 0.00 0.00 0.00 0.00 46.02 45.34 2b25 n GLY 111 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2b25 h SER 112 N 0.00 0.63 0.00 1.61 0.02 -1.82 -3.44 113.55 110.55 2b25 h SER 112 Ca 0.00 0.07 0.00 0.00 -0.84 0.00 0.00 61.79 61.02 2b25 h SER 112 Cb 0.50 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 63.00 2b25 h SER 112 CO 0.00 0.30 0.00 0.61 -1.14 0.00 0.00 176.83 176.60 2b25 n GLY 113 N -1.33 3.05 1.13 -3.77 0.00 -1.26 -0.04 105.19 102.97 2b25 n GLY 113 Ca 0.17 0.26 0.12 0.00 0.00 0.00 0.00 46.02 46.57 2b25 n GLY 113 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2b25 n SER 114 N 10.30 3.37 0.00 1.61 7.64 -1.26 -4.45 113.62 130.83 2b25 n SER 114 Ca 0.00 -1.98 0.00 0.00 1.01 0.00 0.00 58.87 57.90 2b25 n SER 114 Cb 0.00 -0.28 0.00 0.00 -1.01 0.00 0.00 64.21 62.92 2b25 n SER 114 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2b25 n GLY 115 N 1.50 0.76 0.47 0.23 0.00 0.94 -4.15 105.19 104.93 2b25 n GLY 115 Ca 0.20 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.04 2b25 n GLY 115 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2b25 h GLY 116 N 0.00 -1.23 1.15 -0.02 0.00 -1.94 -1.76 103.07 99.28 2b25 h GLY 116 Ca 0.00 0.46 -0.03 0.00 0.00 0.00 0.00 47.33 47.75 2b25 h GLY 116 CO 0.00 -0.45 0.34 1.98 0.00 0.00 0.00 176.54 178.41 2b25 h MET 117 N -1.21 1.09 -0.89 4.80 1.85 -1.91 -2.80 114.93 115.85 2b25 h MET 117 Ca -0.12 -0.17 0.13 0.00 -0.61 0.00 0.00 59.70 58.93 2b25 h MET 117 Cb 0.90 -0.19 -0.14 0.00 0.43 0.00 0.00 31.60 32.60 2b25 h MET 117 CO 0.20 0.86 -0.42 0.77 -0.40 0.00 0.00 176.91 177.92 2b25 h SER 118 N 1.08 -1.53 -0.50 1.39 0.02 -1.82 0.22 113.55 112.41 2b25 h SER 118 Ca 0.26 0.30 0.02 0.00 -0.84 0.00 0.00 61.79 61.52 2b25 h SER 118 Cb 0.14 0.76 -0.03 0.00 0.14 0.00 0.00 62.40 63.42 2b25 h SER 118 CO -0.03 -0.29 0.33 -0.07 -1.14 0.00 0.00 176.83 175.63 2b25 h LEU 119 N -0.05 0.53 -0.28 5.07 3.38 -1.06 0.53 115.31 123.43 2b25 h LEU 119 Ca 0.28 -0.01 -0.14 0.00 0.09 0.00 0.00 57.88 58.10 2b25 h LEU 119 Cb 0.56 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.18 2b25 h LEU 119 CO -0.91 0.38 -0.39 -0.26 0.09 0.00 0.00 178.44 177.36 2b25 h PHE 120 N 0.63 0.93 -0.19 1.13 0.04 -0.57 -1.21 116.94 117.70 2b25 h PHE 120 Ca 0.19 -0.31 0.02 0.00 2.80 0.00 0.00 57.97 60.67 2b25 h PHE 120 Cb -0.00 -0.19 -0.02 0.00 2.20 0.00 0.00 35.95 37.94 2b25 h PHE 120 CO -0.00 1.09 0.07 -0.07 -0.60 0.00 0.00 178.31 178.79 2b25 h LEU 121 N 0.51 0.07 -0.43 1.54 3.38 -0.55 0.07 115.31 119.90 2b25 h LEU 121 Ca 0.03 0.02 0.09 0.00 0.09 0.00 0.00 57.88 58.11 2b25 h LEU 121 Cb 0.98 0.01 -0.09 0.00 0.09 0.00 0.00 40.66 41.65 2b25 h LEU 121 CO 0.09 0.07 -0.18 -1.28 0.09 0.00 0.00 178.44 177.23 2b25 h SER 122 N 0.16 -0.62 -0.80 -0.43 0.87 -0.84 -0.92 113.55 110.96 2b25 h SER 122 Ca 0.08 0.15 0.01 0.00 -1.23 0.00 0.00 61.79 60.80 2b25 h SER 122 Cb 0.05 0.35 -0.04 0.00 -0.44 0.00 0.00 62.40 62.32 2b25 h SER 122 CO -0.09 -0.21 0.52 0.50 -0.53 0.00 0.00 176.83 177.02 2b25 h LYS 123 N -0.09 1.07 -0.21 2.24 3.64 -0.82 -3.11 116.57 119.29 2b25 h LYS 123 Ca 0.21 -0.07 -0.12 0.00 -1.27 0.00 0.00 60.65 59.39 2b25 h LYS 123 Cb 0.41 -0.24 -0.01 0.00 -0.41 0.00 0.00 32.23 31.99 2b25 h LYS 123 CO -0.49 0.72 -0.40 0.00 -2.27 0.00 0.00 179.45 177.00 2b25 h ALA 124 N 1.29 0.92 0.00 5.00 0.00 -0.02 -3.10 119.26 123.35 2b25 h ALA 124 Ca 0.29 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 54.77 2b25 h ALA 124 Cb -0.11 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.58 2b25 h ALA 124 CO -0.06 0.63 -0.08 -0.39 0.00 0.00 0.00 179.25 179.35 2b25 h VAL 125 N 0.40 0.00 -0.50 0.00 -1.51 -1.24 -3.29 116.25 110.11 2b25 h VAL 125 Ca 0.04 -0.88 0.00 0.00 -1.23 0.00 0.00 66.70 64.63 2b25 h VAL 125 Cb 0.87 1.84 0.00 0.00 -2.13 0.00 0.00 31.29 31.87 2b25 h VAL 125 CO 0.07 0.00 0.00 0.61 -1.23 0.00 0.00 177.57 177.02 2b25 n GLY 126 N 1.15 -1.30 0.10 5.19 0.00 -1.17 -0.45 105.19 108.71 2b25 n GLY 126 Ca 0.04 -1.23 -0.13 0.00 0.00 0.00 0.00 46.02 44.69 2b25 n GLY 126 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2b25 h SER 127 N 0.00 0.20 0.00 1.61 4.64 -1.92 -3.11 113.55 114.97 2b25 h SER 127 Ca 0.00 -0.53 0.00 0.00 -0.47 0.00 0.00 61.79 60.79 2b25 h SER 127 Cb 0.00 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 62.03 2b25 h SER 127 CO 0.00 0.69 0.00 0.00 -0.87 0.00 0.00 176.83 176.65 2b25 n GLN 128 N -4.67 0.87 -3.39 4.77 1.13 -1.26 -4.86 117.38 109.95 2b25 n GLN 128 Ca -0.08 0.00 -0.22 0.00 -1.94 0.00 0.00 57.00 54.76 2b25 n GLN 128 Cb 0.34 -1.38 0.03 0.00 0.11 0.00 0.00 30.24 29.33 2b25 n GLN 128 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 2b25 s GLY 129 N -1.80 2.00 -0.09 1.08 0.00 -1.16 -4.56 107.32 102.79 2b25 s GLY 129 Ca 0.32 -1.77 -0.16 0.00 0.00 0.00 0.00 44.72 43.11 2b25 s GLY 129 CO 0.25 -1.79 0.39 -1.60 0.00 0.00 0.00 173.10 170.35 2b25 s ARG 130 N -4.50 0.60 -0.12 2.90 3.52 -0.62 -4.86 118.95 115.88 2b25 s ARG 130 Ca 0.50 0.25 -0.00 0.00 -0.13 0.00 0.00 55.73 56.35 2b25 s ARG 130 Cb -0.04 0.28 0.02 0.00 -1.56 0.00 0.00 34.95 33.65 2b25 s ARG 130 CO 0.31 -0.13 -0.09 0.08 -0.81 0.00 0.00 175.30 174.67 2b25 s VAL 131 N -0.49 1.12 -0.30 7.11 1.01 -1.09 -1.06 120.40 126.69 2b25 s VAL 131 Ca -0.06 -0.35 -0.08 0.00 0.00 0.00 0.00 61.98 61.49 2b25 s VAL 131 Cb -0.04 -1.11 0.00 0.00 0.00 0.00 0.00 36.38 35.23 2b25 s VAL 131 CO 0.03 0.38 0.12 -0.63 0.00 0.00 0.00 175.10 175.00 2b25 s ILE 132 N 1.62 4.30 -0.11 2.22 1.09 0.36 -0.88 121.20 129.80 2b25 s ILE 132 Ca 0.04 -0.56 0.03 0.00 -1.10 0.00 0.00 60.65 59.07 2b25 s ILE 132 Cb -0.13 -3.21 0.00 0.00 -1.06 0.00 0.00 42.46 38.07 2b25 s ILE 132 CO -0.08 0.07 -0.23 -0.55 -0.10 0.00 0.00 174.94 174.05 2b25 s SER 133 N 1.56 3.04 -0.11 3.58 0.15 -0.23 -1.15 113.70 120.54 2b25 s SER 133 Ca 0.04 -0.57 -0.04 0.00 0.70 0.00 0.00 55.95 56.08 2b25 s SER 133 Cb -0.17 -1.40 -0.03 0.00 -1.71 0.00 0.00 66.02 62.71 2b25 s SER 133 CO 0.04 0.12 0.02 -0.36 1.20 0.00 0.00 173.24 174.27 2b25 s PHE 134 N 0.54 3.21 -0.17 3.44 0.08 -0.07 -0.99 117.98 124.02 2b25 s PHE 134 Ca -0.14 0.16 -0.04 0.00 0.12 0.00 0.00 56.93 57.02 2b25 s PHE 134 Cb -0.17 -1.88 0.08 0.00 -0.57 0.00 0.00 43.02 40.49 2b25 s PHE 134 CO 0.05 0.39 0.26 -2.00 -0.10 0.00 0.00 175.22 173.81 2b25 s GLU 135 N -0.54 0.18 0.17 0.44 2.56 -0.81 -2.39 118.70 118.31 2b25 s GLU 135 Ca 0.10 0.50 -0.10 0.00 0.00 0.00 0.00 54.97 55.47 2b25 s GLU 135 Cb -0.12 -0.55 0.06 0.00 2.00 0.00 0.00 34.13 35.51 2b25 s GLU 135 CO 0.02 -0.47 1.64 -0.24 -0.56 0.00 0.00 175.26 175.64 2b25 h VAL 136 N 6.29 1.26 -3.25 3.70 3.04 -1.87 -2.83 116.25 122.59 2b25 h VAL 136 Ca -0.16 -1.12 -0.58 0.00 -1.01 0.00 0.00 66.70 63.83 2b25 h VAL 136 Cb 1.13 0.82 -0.08 0.00 -2.01 0.00 0.00 31.29 31.16 2b25 h VAL 136 CO 0.21 0.40 -0.18 -0.13 -1.01 0.00 0.00 177.57 176.86 2b25 s ARG 137 N -5.05 4.24 0.18 4.17 0.52 -1.26 -4.63 118.95 117.12 2b25 s ARG 137 Ca -0.12 0.40 -0.13 0.00 -0.52 0.00 0.00 55.73 55.36 2b25 s ARG 137 Cb 0.13 -3.38 0.17 0.00 0.52 0.00 0.00 34.95 32.39 2b25 s ARG 137 CO 0.85 0.29 1.74 1.57 0.02 0.00 0.00 175.30 179.77 2b25 h LYS 138 N 6.23 0.29 -0.68 3.54 2.10 -1.99 -1.28 116.57 124.78 2b25 h LYS 138 Ca -0.43 -0.02 0.02 0.00 -2.00 0.00 0.00 60.65 58.21 2b25 h LYS 138 Cb 1.19 -0.07 -0.04 0.00 -0.90 0.00 0.00 32.23 32.41 2b25 h LYS 138 CO 0.72 0.19 0.44 0.38 -2.00 0.00 0.00 179.45 179.19 2b25 h ASP 139 N 0.30 0.75 -0.20 7.07 3.04 -1.98 0.29 116.42 125.69 2b25 h ASP 139 Ca 0.24 -0.01 -0.05 0.00 -3.24 0.00 0.00 57.03 53.96 2b25 h ASP 139 Cb 0.27 -0.18 -0.01 0.00 -1.04 0.00 0.00 39.33 38.38 2b25 h ASP 139 CO -0.27 0.53 -0.07 0.45 -2.04 0.00 0.00 179.24 177.84 2b25 h HIS 140 N 0.88 0.46 -0.47 4.15 3.86 -1.81 -1.91 115.15 120.32 2b25 h HIS 140 Ca 0.26 -0.11 0.09 0.00 -1.16 0.00 0.00 60.37 59.45 2b25 h HIS 140 Cb -0.05 -0.11 -0.08 0.00 1.06 0.00 0.00 27.41 28.23 2b25 h HIS 140 CO -0.03 0.67 -0.01 1.25 0.86 0.00 0.00 177.93 180.67 2b25 h HIS 141 N 0.11 -0.05 -0.33 2.45 -0.00 -0.72 0.15 115.15 116.75 2b25 h HIS 141 Ca 0.05 0.04 0.00 0.00 -0.00 0.00 0.00 60.37 60.46 2b25 h HIS 141 Cb 0.54 0.09 -0.02 0.00 -0.00 0.00 0.00 27.41 28.03 2b25 h HIS 141 CO 0.06 -0.11 0.22 -0.44 -0.00 0.00 0.00 177.93 177.65 2b25 h ASP 142 N 0.10 0.38 -0.57 3.26 3.45 -0.41 -2.13 116.42 120.49 2b25 h ASP 142 Ca 0.23 -0.01 -0.09 0.00 0.43 0.00 0.00 57.03 57.60 2b25 h ASP 142 Cb 0.35 -0.09 -0.02 0.00 -0.56 0.00 0.00 39.33 39.00 2b25 h ASP 142 CO -0.40 0.27 0.02 0.25 -1.57 0.00 0.00 179.24 177.81 2b25 h LEU 143 N 0.45 0.98 -0.35 1.55 5.85 -0.72 -0.79 115.31 122.27 2b25 h LEU 143 Ca 0.12 -0.30 0.00 0.00 0.84 0.00 0.00 57.88 58.54 2b25 h LEU 143 Cb -0.05 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 40.70 2b25 h LEU 143 CO -0.03 1.04 0.23 0.00 -0.34 0.00 0.00 178.44 179.34 2b25 h ALA 144 N 0.98 0.45 -0.61 1.25 0.00 -0.64 0.27 119.26 120.95 2b25 h ALA 144 Ca 0.16 -0.04 0.07 0.00 0.00 0.00 0.00 54.91 55.11 2b25 h ALA 144 Cb 0.53 -0.14 -0.06 0.00 0.00 0.00 0.00 17.79 18.11 2b25 h ALA 144 CO 0.03 -0.08 0.31 0.87 0.00 0.00 0.00 179.25 180.38 2b25 h LYS 145 N 0.47 0.55 -0.03 0.00 1.57 -1.13 -1.20 116.57 116.80 2b25 h LYS 145 Ca 0.13 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.87 2b25 h LYS 145 Cb -0.03 -0.12 -0.00 0.00 0.08 0.00 0.00 32.23 32.15 2b25 h LYS 145 CO -0.03 0.36 0.01 -0.22 -0.57 0.00 0.00 179.45 179.00 2b25 h LYS 146 N 0.56 0.04 -0.88 3.15 1.63 -0.59 0.45 116.57 120.94 2b25 h LYS 146 Ca 0.29 -0.01 0.08 0.00 -0.85 0.00 0.00 60.65 60.16 2b25 h LYS 146 Cb 0.23 -0.01 -0.07 0.00 -0.60 0.00 0.00 32.23 31.79 2b25 h LYS 146 CO -0.21 0.26 0.53 -0.91 -3.45 0.00 0.00 179.45 175.68 2b25 h ASN 147 N -0.18 0.81 0.60 4.20 2.35 -0.37 0.19 115.58 123.18 2b25 h ASN 147 Ca 0.01 0.03 -0.03 0.00 -0.55 0.00 0.00 56.30 55.76 2b25 h ASN 147 Cb 0.24 -0.13 0.00 0.00 0.05 0.00 0.00 38.32 38.48 2b25 h ASN 147 CO 0.00 0.49 -0.33 0.22 -1.65 0.00 0.00 177.43 176.15 2b25 h TYR 148 N 0.93 -0.87 -0.29 1.19 3.20 -1.04 -2.32 116.97 117.76 2b25 h TYR 148 Ca 0.41 -0.01 0.07 0.00 3.14 0.00 0.00 58.73 62.33 2b25 h TYR 148 Cb 0.28 0.30 -0.08 0.00 1.54 0.00 0.00 36.73 38.78 2b25 h TYR 148 CO -0.04 -0.52 -0.24 -0.22 -1.64 0.00 0.00 178.16 175.50 2b25 h LYS 149 N -0.87 -0.22 -0.88 1.82 3.64 -0.57 -0.33 116.57 119.16 2b25 h LYS 149 Ca -0.08 0.01 0.08 0.00 -1.27 0.00 0.00 60.65 59.39 2b25 h LYS 149 Cb 0.69 0.05 -0.07 0.00 -0.41 0.00 0.00 32.23 32.49 2b25 h LYS 149 CO 0.10 -0.14 0.54 0.45 -2.27 0.00 0.00 179.45 178.13 2b25 h HIS 150 N -0.23 0.99 -0.48 1.91 3.86 -0.63 -1.04 115.15 119.53 2b25 h HIS 150 Ca 0.15 0.03 -0.13 0.00 -1.16 0.00 0.00 60.37 59.26 2b25 h HIS 150 Cb 0.46 -0.32 -0.01 0.00 1.06 0.00 0.00 27.41 28.61 2b25 h HIS 150 CO -0.42 0.47 -0.21 2.35 0.86 0.00 0.00 177.93 180.98 2b25 h TRP 151 N 0.95 1.14 0.18 2.45 2.91 -0.83 -2.51 115.95 120.24 2b25 h TRP 151 Ca 0.40 -0.27 -0.01 0.00 1.13 0.00 0.00 58.89 60.14 2b25 h TRP 151 Cb 0.25 -0.27 0.00 0.00 -0.51 0.00 0.00 29.16 28.63 2b25 h TRP 151 CO -0.03 1.10 -0.09 0.00 -1.03 0.00 0.00 178.44 178.39 2b25 h ARG 152 N 0.86 -0.23 -0.78 2.65 3.08 -0.48 -0.35 114.38 119.13 2b25 h ARG 152 Ca 0.11 0.02 0.14 0.00 0.07 0.00 0.00 59.98 60.32 2b25 h ARG 152 Cb 0.79 0.05 -0.05 0.00 0.08 0.00 0.00 29.97 30.84 2b25 h ARG 152 CO 0.07 0.02 0.52 -0.44 -1.07 0.00 0.00 179.97 179.07 2b25 h ASP 153 N -0.47 0.47 0.44 7.04 3.32 -1.24 -1.95 116.42 124.04 2b25 h ASP 153 Ca -0.02 0.03 -0.31 0.00 0.02 0.00 0.00 57.03 56.74 2b25 h ASP 153 Cb 0.36 -0.07 0.02 0.00 0.22 0.00 0.00 39.33 39.86 2b25 h ASP 153 CO 0.04 0.25 -1.40 -1.28 -1.72 0.00 0.00 179.24 175.12 2b25 h SER 154 N 0.51 0.59 -0.24 6.45 0.87 -1.34 -3.33 113.55 117.07 2b25 h SER 154 Ca 0.38 -0.67 -0.02 0.00 -1.23 0.00 0.00 61.79 60.26 2b25 h SER 154 Cb 0.77 -0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 62.52 2b25 h SER 154 CO -0.14 1.53 0.08 -0.25 -0.53 0.00 0.00 176.83 177.52 2b25 h TRP 155 N 0.10 0.37 -0.14 2.24 2.91 -0.47 -3.07 115.95 117.90 2b25 h TRP 155 Ca -0.21 -0.04 0.04 0.00 1.13 0.00 0.00 58.89 59.82 2b25 h TRP 155 Cb 2.06 -0.11 -0.01 0.00 -0.51 0.00 0.00 29.16 30.60 2b25 h TRP 155 CO 0.09 0.42 0.15 1.57 -1.03 0.00 0.00 178.44 179.64 2b25 h LYS 156 N 0.22 0.00 0.00 2.65 2.10 -1.48 -1.93 116.57 118.13 2b25 h LYS 156 Ca 0.08 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.73 2b25 h LYS 156 Cb 0.22 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.55 2b25 h LYS 156 CO -0.00 0.00 0.00 1.28 -2.00 0.00 0.00 179.45 178.73 2b25 n LEU 157 N -3.83 0.00 0.00 7.07 4.77 -1.16 -3.63 117.00 120.22 2b25 n LEU 157 Ca 0.00 0.30 0.00 0.00 -0.03 0.00 0.00 56.01 56.29 2b25 n LEU 157 Cb 0.26 -0.30 0.00 0.00 -2.33 0.00 0.00 43.42 41.05 2b25 n LEU 157 CO 0.28 -0.10 0.15 -1.54 -1.33 0.00 0.00 177.39 174.84 2b25 n SER 158 N -1.30 0.38 -4.26 -1.43 3.41 -0.74 -4.94 113.62 104.74 2b25 n SER 158 Ca 0.09 -1.09 -0.19 0.00 -0.26 0.00 0.00 58.87 57.43 2b25 n SER 158 Cb 0.17 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 64.01 2b25 n SER 158 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 2b25 s HIS 159 N -0.09 1.49 0.01 7.33 3.76 -1.16 -4.85 115.29 121.78 2b25 s HIS 159 Ca 0.00 -0.53 -0.06 0.00 -0.15 0.00 0.00 55.06 54.32 2b25 s HIS 159 Cb 0.00 -0.77 -0.03 0.00 1.11 0.00 0.00 32.58 32.88 2b25 s HIS 159 CO 0.00 0.18 1.00 0.28 -0.85 0.00 0.00 174.74 175.34 2b25 h VAL 160 N 3.54 0.00 -3.66 -0.90 2.07 -1.92 -3.44 116.25 111.94 2b25 h VAL 160 Ca -0.41 -0.02 -0.51 0.00 0.82 0.00 0.00 66.70 66.59 2b25 h VAL 160 Cb 1.20 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.94 2b25 h VAL 160 CO 0.50 0.00 0.30 -1.61 0.02 0.00 0.00 177.57 176.78 2b25 s GLU 161 N -3.30 4.75 0.79 1.57 8.01 -1.26 -5.03 118.70 124.22 2b25 s GLU 161 Ca -0.03 1.38 -0.12 0.00 0.01 0.00 0.00 54.97 56.21 2b25 s GLU 161 Cb 0.00 -3.29 0.07 0.00 -4.31 0.00 0.00 34.13 26.60 2b25 s GLU 161 CO 0.10 0.48 1.13 -1.83 0.01 0.00 0.00 175.26 175.15 2b25 s GLU 162 N -0.97 1.94 0.02 1.61 -1.05 -1.26 -4.84 118.70 114.14 2b25 s GLU 162 Ca 0.40 1.44 -0.30 0.00 -0.15 0.00 0.00 54.97 56.36 2b25 s GLU 162 Cb -0.25 -1.84 -0.08 0.00 -0.44 0.00 0.00 34.13 31.53 2b25 s GLU 162 CO 0.30 -1.93 1.72 -0.46 0.95 0.00 0.00 175.26 175.85 2b25 s TRP 163 N -2.56 2.02 0.01 4.83 -0.11 -1.26 -4.90 118.94 116.97 2b25 s TRP 163 Ca 0.66 0.10 -0.34 0.00 1.22 0.00 0.00 56.10 57.75 2b25 s TRP 163 Cb -0.22 -4.01 -0.12 0.00 -1.50 0.00 0.00 33.47 27.62 2b25 s TRP 163 CO 0.52 -4.25 1.79 -0.35 -4.62 0.00 0.00 176.95 170.04 2b25 n PRO 164 N 6.53 2.23 -2.37 5.86 -0.04 -1.26 -4.82 135.00 141.14 2b25 n PRO 164 Ca 0.17 0.81 -0.36 0.00 -0.04 0.00 0.00 63.50 64.08 2b25 n PRO 164 Cb 0.41 -2.64 -0.03 0.00 -0.04 0.00 0.00 33.50 31.20 2b25 n PRO 164 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 2b25 s ASP 165 N 3.01 6.04 -0.09 3.54 2.15 -1.26 -4.77 116.67 125.29 2b25 s ASP 165 Ca 0.88 -1.68 0.16 0.00 0.43 0.00 0.00 52.55 52.34 2b25 s ASP 165 Cb -0.67 -2.58 -0.23 0.00 -0.30 0.00 0.00 42.92 39.15 2b25 s ASP 165 CO 0.46 -1.97 0.42 0.59 -0.17 0.00 0.00 175.17 174.51 2b25 n ASN 166 N 10.86 0.43 -4.56 -0.34 3.02 -1.26 -5.00 115.26 118.40 2b25 n ASN 166 Ca 0.42 0.20 -0.32 0.00 -0.03 0.00 0.00 54.58 54.84 2b25 n ASN 166 Cb 0.48 0.60 -0.11 0.00 -0.61 0.00 0.00 39.78 40.14 2b25 n ASN 166 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2b25 s VAL 167 N -2.69 3.47 -0.39 2.41 1.01 -1.26 -2.68 120.40 120.27 2b25 s VAL 167 Ca -0.07 -0.79 -0.09 0.00 0.00 0.00 0.00 61.98 61.03 2b25 s VAL 167 Cb 0.08 -2.48 0.05 0.00 0.00 0.00 0.00 36.38 34.04 2b25 s VAL 167 CO 0.83 0.43 0.21 -1.81 0.00 0.00 0.00 175.10 174.77 2b25 s ASP 168 N -1.27 5.61 -0.71 3.32 1.01 -0.06 -4.98 116.67 119.59 2b25 s ASP 168 Ca 0.16 -1.27 -0.21 0.00 0.71 0.00 0.00 52.55 51.94 2b25 s ASP 168 Cb -0.11 -1.98 0.09 0.00 1.01 0.00 0.00 42.92 41.94 2b25 s ASP 168 CO 0.06 -0.45 0.95 -0.36 0.21 0.00 0.00 175.17 175.58 2b25 s PHE 169 N 1.46 2.86 -0.19 4.23 0.40 -1.26 -1.06 117.98 124.42 2b25 s PHE 169 Ca 0.02 -0.86 -0.12 0.00 -0.60 0.00 0.00 56.93 55.36 2b25 s PHE 169 Cb -0.21 -4.23 -0.05 0.00 0.51 0.00 0.00 43.02 39.04 2b25 s PHE 169 CO 0.04 -1.53 0.23 0.42 0.70 0.00 0.00 175.22 175.08 2b25 s ILE 170 N 3.40 5.33 -0.51 0.64 1.01 -0.17 -5.02 121.20 125.89 2b25 s ILE 170 Ca 0.22 0.40 -0.22 0.00 0.00 0.00 0.00 60.65 61.05 2b25 s ILE 170 Cb -0.15 -3.57 0.04 0.00 0.01 0.00 0.00 42.46 38.78 2b25 s ILE 170 CO 0.04 0.38 0.80 -2.28 0.00 0.00 0.00 174.94 173.89 2b25 s HIS 171 N 0.63 2.92 0.00 3.97 5.65 -1.26 -1.93 115.29 125.26 2b25 s HIS 171 Ca 0.13 -0.13 0.00 0.00 0.25 0.00 0.00 55.06 55.31 2b25 s HIS 171 Cb -0.13 -3.80 0.00 0.00 -1.18 0.00 0.00 32.58 27.48 2b25 s HIS 171 CO 0.03 -1.16 0.00 1.63 -0.65 0.00 0.00 174.74 174.58 2b25 n LYS 172 N 6.88 0.00 -1.64 2.88 4.01 -1.07 -4.96 118.16 124.26 2b25 n LYS 172 Ca -0.01 0.00 -0.51 0.00 -0.51 0.00 0.00 58.31 57.28 2b25 n LYS 172 Cb 0.47 0.00 -0.06 0.00 -0.51 0.00 0.00 35.03 34.93 2b25 n LYS 172 CO 0.00 0.00 0.00 -3.47 -1.11 0.00 0.00 177.40 172.82 2b25 n ASP 173 N 0.00 2.25 0.13 4.39 2.03 -1.26 -3.70 116.55 120.38 2b25 n ASP 173 Ca 0.00 1.09 0.10 0.00 0.52 0.00 0.00 54.79 56.50 2b25 n ASP 173 Cb 0.00 -1.25 0.49 0.00 -0.72 0.00 0.00 41.12 39.64 2b25 n ASP 173 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2b25 n ILE 174 N 3.33 1.00 0.30 5.18 3.06 -1.26 -2.30 119.36 128.67 2b25 n ILE 174 Ca 0.20 0.45 0.20 0.00 -2.50 0.00 0.00 62.75 61.10 2b25 n ILE 174 Cb 0.21 -1.40 1.06 0.00 0.54 0.00 0.00 39.64 40.04 2b25 n ILE 174 CO 0.00 0.00 0.00 0.28 -2.50 0.00 0.00 176.55 174.33 2b25 h SER 175 N 0.00 0.00 -3.57 9.51 0.02 -1.94 -3.40 113.55 114.17 2b25 h SER 175 Ca 0.00 0.00 -0.71 0.00 -0.84 0.00 0.00 61.79 60.24 2b25 h SER 175 Cb 0.19 0.00 -0.22 0.00 0.14 0.00 0.00 62.40 62.51 2b25 h SER 175 CO 0.00 0.00 -0.48 -0.83 -1.14 0.00 0.00 176.83 174.38 2b25 s GLY 176 N -3.98 1.96 0.00 -3.77 0.00 -0.97 -4.96 107.32 95.59 2b25 s GLY 176 Ca -0.04 -1.65 0.00 0.00 0.00 0.00 0.00 44.72 43.03 2b25 s GLY 176 CO 0.35 0.85 0.00 0.00 0.00 0.00 0.00 173.10 174.31 2b25 n ALA 177 N 5.08 0.00 -2.60 3.20 0.00 -1.26 -4.97 120.51 119.95 2b25 n ALA 177 Ca -0.12 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 52.89 2b25 n ALA 177 Cb 0.47 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.88 2b25 n ALA 177 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2b25 s THR 185 N -4.00 4.42 -0.20 0.00 2.01 -1.26 -5.10 115.64 111.51 2b25 s THR 185 Ca 0.00 0.52 -0.11 0.00 0.31 0.00 0.00 61.69 62.40 2b25 s THR 185 Cb 0.00 -4.49 -0.05 0.00 0.01 0.00 0.00 72.50 67.97 2b25 s THR 185 CO 0.00 -0.99 0.19 -0.36 -0.69 0.00 0.00 174.62 172.77 2b25 s PHE 186 N 3.89 3.40 0.19 4.92 0.40 0.18 -4.77 117.98 126.19 2b25 s PHE 186 Ca 0.34 0.38 0.09 0.00 -0.60 0.00 0.00 56.93 57.14 2b25 s PHE 186 Cb -0.11 -2.24 0.11 0.00 0.51 0.00 0.00 43.02 41.28 2b25 s PHE 186 CO 0.23 0.22 1.46 -0.44 0.70 0.00 0.00 175.22 177.39 2b25 h ASP 187 N 6.87 0.00 -4.96 1.36 3.32 -1.26 -0.34 116.42 121.41 2b25 h ASP 187 Ca -0.40 0.00 0.02 0.00 0.02 0.00 0.00 57.03 56.66 2b25 h ASP 187 Cb 1.16 0.00 -0.12 0.00 0.22 0.00 0.00 39.33 40.59 2b25 h ASP 187 CO 0.74 0.78 0.26 0.00 -1.72 0.00 0.00 179.24 179.30 2b25 s ALA 188 N -3.20 -1.59 -0.04 3.45 0.00 -1.24 -4.03 121.76 115.11 2b25 s ALA 188 Ca -0.00 0.46 0.02 0.00 0.00 0.00 0.00 51.96 52.44 2b25 s ALA 188 Cb 0.11 0.81 0.01 0.00 0.00 0.00 0.00 23.12 24.05 2b25 s ALA 188 CO 0.79 -0.80 -0.09 0.08 0.00 0.00 0.00 175.76 175.74 2b25 s VAL 189 N -3.66 0.84 -0.13 0.00 1.01 -0.45 -1.94 120.40 116.07 2b25 s VAL 189 Ca 0.03 -0.34 0.02 0.00 0.00 0.00 0.00 61.98 61.69 2b25 s VAL 189 Cb -0.02 -0.77 -0.00 0.00 0.00 0.00 0.00 36.38 35.59 2b25 s VAL 189 CO -0.10 0.27 -0.19 0.00 0.00 0.00 0.00 175.10 175.08 2b25 s ALA 190 N 0.49 2.35 -0.11 5.51 0.00 -0.06 -0.74 121.76 129.20 2b25 s ALA 190 Ca -0.08 -0.99 0.03 0.00 0.00 0.00 0.00 51.96 50.91 2b25 s ALA 190 Cb -0.12 -1.02 0.01 0.00 0.00 0.00 0.00 23.12 21.98 2b25 s ALA 190 CO 0.01 0.15 -0.22 -0.51 0.00 0.00 0.00 175.76 175.19 2b25 s LEU 191 N 0.54 2.04 -0.36 0.00 1.43 -0.51 -2.51 118.68 119.32 2b25 s LEU 191 Ca -0.12 -0.55 0.01 0.00 -1.03 0.00 0.00 54.13 52.44 2b25 s LEU 191 Cb -0.16 -1.36 0.15 0.00 0.03 0.00 0.00 46.19 44.84 2b25 s LEU 191 CO 0.04 0.11 0.26 -0.62 0.23 0.00 0.00 176.35 176.37 2b25 s ASP 192 N 0.57 2.45 0.13 2.29 -1.08 -0.81 -0.53 116.67 119.69 2b25 s ASP 192 Ca -0.14 -2.07 -0.25 0.00 -0.52 0.00 0.00 52.55 49.58 2b25 s ASP 192 Cb -0.17 -0.15 0.07 0.00 -1.46 0.00 0.00 42.92 41.21 2b25 s ASP 192 CO 0.04 -0.29 0.77 0.00 0.52 0.00 0.00 175.17 176.21 2b25 s MET 193 N 1.12 1.21 0.60 4.34 0.23 -1.26 -3.96 119.30 121.59 2b25 s MET 193 Ca 0.18 -0.54 -0.18 0.00 -1.03 0.00 0.00 55.69 54.13 2b25 s MET 193 Cb -0.20 0.50 -0.03 0.00 -1.53 0.00 0.00 34.83 33.57 2b25 s MET 193 CO -0.00 -0.54 1.16 -0.51 -2.03 0.00 0.00 175.02 173.09 2b25 s LEU 194 N -2.73 3.59 -1.34 0.18 1.43 -1.26 -4.03 118.68 114.53 2b25 s LEU 194 Ca 0.06 2.22 -0.08 0.00 -1.03 0.00 0.00 54.13 55.30 2b25 s LEU 194 Cb -0.02 -4.58 0.00 0.00 0.03 0.00 0.00 46.19 41.62 2b25 s LEU 194 CO -0.06 -1.54 0.48 0.59 0.23 0.00 0.00 176.35 176.05 2b25 n ASN 195 N -1.80 -1.60 0.17 2.29 3.02 -1.26 -4.83 115.26 111.26 2b25 n ASN 195 Ca 0.12 -1.06 0.12 0.00 -0.03 0.00 0.00 54.58 53.72 2b25 n ASN 195 Cb 0.51 -2.85 0.61 0.00 -0.61 0.00 0.00 39.78 37.44 2b25 n ASN 195 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 2b25 h PRO 196 N -1.92 0.00 -0.31 3.52 0.13 -1.97 -2.73 132.00 128.73 2b25 h PRO 196 Ca -0.65 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.41 2b25 h PRO 196 Cb 1.38 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.49 2b25 h PRO 196 CO 0.59 0.00 -0.11 1.12 -0.23 0.00 0.00 178.00 179.38 2b25 h HIS 197 N 0.00 0.55 -0.86 1.56 2.07 -1.92 -3.12 115.15 113.43 2b25 h HIS 197 Ca 0.00 -0.08 0.10 0.00 -2.85 0.00 0.00 60.37 57.54 2b25 h HIS 197 Cb 0.05 -0.15 -0.06 0.00 2.57 0.00 0.00 27.41 29.81 2b25 h HIS 197 CO 0.00 0.61 0.56 -0.39 -3.07 0.00 0.00 177.93 175.64 2b25 h VAL 198 N 0.48 0.95 0.00 6.12 -1.51 -1.86 -2.49 116.25 117.94 2b25 h VAL 198 Ca 0.09 -0.28 0.00 0.00 -1.23 0.00 0.00 66.70 65.28 2b25 h VAL 198 Cb 0.48 0.06 0.00 0.00 -2.13 0.00 0.00 31.29 29.70 2b25 h VAL 198 CO 0.03 0.15 0.00 0.71 -1.23 0.00 0.00 177.57 177.23 2b25 h THR 199 N 0.82 0.00 -0.15 7.19 1.35 -1.76 -3.37 112.91 116.99 2b25 h THR 199 Ca 0.40 -0.37 0.05 0.00 -0.55 0.00 0.00 66.41 65.94 2b25 h THR 199 Cb 0.45 1.21 -0.07 0.00 -1.73 0.00 0.00 68.15 68.01 2b25 h THR 199 CO -0.17 0.00 -0.37 -0.07 -0.25 0.00 0.00 175.52 174.67 2b25 h LEU 200 N 0.00 -1.15 -1.10 3.87 3.38 -1.56 -2.05 115.31 116.70 2b25 h LEU 200 Ca 0.00 0.16 0.05 0.00 0.09 0.00 0.00 57.88 58.18 2b25 h LEU 200 Cb 0.48 0.48 -0.06 0.00 0.09 0.00 0.00 40.66 41.66 2b25 h LEU 200 CO 0.00 -0.39 0.61 1.55 0.09 0.00 0.00 178.44 180.30 2b25 h PRO 201 N -0.43 1.10 -0.37 1.13 0.13 -1.81 0.74 132.00 132.49 2b25 h PRO 201 Ca 0.09 -0.07 0.07 0.00 -0.87 0.00 0.00 66.00 65.23 2b25 h PRO 201 Cb 0.58 -0.25 -0.07 0.00 0.13 0.00 0.00 31.00 31.40 2b25 h PRO 201 CO -0.39 0.73 -0.06 0.28 -0.23 0.00 0.00 178.00 178.33 2b25 h VAL 202 N 1.13 0.67 0.00 1.56 2.07 -1.63 -3.33 116.25 116.72 2b25 h VAL 202 Ca 0.38 -0.01 -0.14 0.00 0.82 0.00 0.00 66.70 67.75 2b25 h VAL 202 Cb 0.08 0.63 -0.03 0.00 -1.52 0.00 0.00 31.29 30.45 2b25 h VAL 202 CO -0.13 0.01 -2.05 2.22 0.02 0.00 0.00 177.57 177.64 2b25 n PHE 203 N -5.25 0.00 -0.24 1.57 1.16 -1.03 -4.58 117.46 109.08 2b25 n PHE 203 Ca 0.02 0.00 0.03 0.00 -1.87 0.00 0.00 57.45 55.63 2b25 n PHE 203 Cb 0.20 -0.64 0.13 0.00 -1.61 0.00 0.00 39.48 37.56 2b25 n PHE 203 CO 0.00 0.00 0.00 -0.92 -1.87 0.00 0.00 176.76 173.97 2b25 h TYR 204 N 0.00 -0.12 -0.38 2.97 3.20 -0.97 0.17 116.97 121.85 2b25 h TYR 204 Ca -0.20 0.05 0.11 0.00 3.14 0.00 0.00 58.73 61.83 2b25 h TYR 204 Cb 1.41 0.16 -0.02 0.00 1.54 0.00 0.00 36.73 39.82 2b25 h TYR 204 CO 0.00 -0.24 0.34 -1.35 -1.64 0.00 0.00 178.16 175.27 2b25 h PRO 205 N 0.08 0.00 0.00 1.82 0.11 -1.81 -2.57 132.00 129.63 2b25 h PRO 205 Ca 0.37 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.48 2b25 h PRO 205 Cb 0.63 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.74 2b25 h PRO 205 CO -0.64 0.00 -1.00 0.72 -0.21 0.00 0.00 178.00 176.87 2b25 n HIS 206 N -4.01 0.15 -2.34 0.65 8.25 0.56 -4.88 115.22 113.60 2b25 n HIS 206 Ca 0.06 0.04 -0.42 0.00 -0.26 0.00 0.00 57.72 57.15 2b25 n HIS 206 Cb 0.51 -0.31 -0.03 0.00 1.12 0.00 0.00 29.99 31.28 2b25 n HIS 206 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 2b25 s LEU 207 N -3.62 4.35 0.72 2.41 2.96 -0.95 -0.65 118.68 123.91 2b25 s LEU 207 Ca 0.05 2.09 -0.16 0.00 -0.22 0.00 0.00 54.13 55.89 2b25 s LEU 207 Cb 0.15 -3.58 0.03 0.00 0.50 0.00 0.00 46.19 43.30 2b25 s LEU 207 CO 0.81 -0.56 1.23 -1.59 -1.32 0.00 0.00 176.35 174.92 2b25 s LYS 208 N 1.35 2.16 0.34 1.98 -2.85 -0.14 -4.88 119.74 117.69 2b25 s LYS 208 Ca 0.61 1.85 -0.28 0.00 -1.00 0.00 0.00 55.97 57.14 2b25 s LYS 208 Cb -0.31 -1.82 -0.10 0.00 -2.06 0.00 0.00 37.83 33.53 2b25 s LYS 208 CO 0.28 -1.84 1.29 -1.01 0.10 0.00 0.00 175.35 174.17 2b25 s HIS 209 N -1.84 3.06 0.00 1.78 3.76 -1.26 -1.95 115.29 118.83 2b25 s HIS 209 Ca 0.77 1.44 0.00 0.00 -0.15 0.00 0.00 55.06 57.12 2b25 s HIS 209 Cb -0.31 -3.64 0.00 0.00 1.11 0.00 0.00 32.58 29.74 2b25 s HIS 209 CO 0.45 -1.77 0.00 0.41 -0.85 0.00 0.00 174.74 172.97 2b25 n GLY 210 N 0.80 1.34 3.88 -2.22 0.00 0.19 -5.01 105.19 104.17 2b25 n GLY 210 Ca 0.01 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 2b25 n GLY 210 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2b25 s GLY 211 N -2.00 2.00 -0.15 -0.02 0.00 -0.83 -4.76 107.32 101.56 2b25 s GLY 211 Ca 0.00 -0.27 -0.07 0.00 0.00 0.00 0.00 44.72 44.39 2b25 s GLY 211 CO 0.00 -0.10 0.08 0.14 0.00 0.00 0.00 173.10 173.22 2b25 s VAL 212 N -2.20 5.00 -0.28 1.40 1.01 -1.26 -1.16 120.40 122.92 2b25 s VAL 212 Ca 0.49 0.03 -0.08 0.00 0.00 0.00 0.00 61.98 62.42 2b25 s VAL 212 Cb -0.10 -3.21 -0.02 0.00 0.00 0.00 0.00 36.38 33.04 2b25 s VAL 212 CO 0.28 0.53 0.11 0.00 0.00 0.00 0.00 175.10 176.02 2b25 s ALA 214 N 1.62 2.96 -0.05 0.00 0.00 0.08 -0.80 121.76 125.58 2b25 s ALA 214 Ca 0.05 -0.97 0.06 0.00 0.00 0.00 0.00 51.96 51.10 2b25 s ALA 214 Cb -0.16 -1.67 -0.02 0.00 0.00 0.00 0.00 23.12 21.27 2b25 s ALA 214 CO 0.05 -0.08 -0.21 0.08 0.00 0.00 0.00 175.76 175.60 2b25 s VAL 215 N 0.88 2.43 -0.31 0.00 1.01 0.27 -1.42 120.40 123.26 2b25 s VAL 215 Ca -0.00 -0.95 -0.08 0.00 0.00 0.00 0.00 61.98 60.95 2b25 s VAL 215 Cb -0.14 -1.90 0.00 0.00 0.00 0.00 0.00 36.38 34.34 2b25 s VAL 215 CO 0.02 0.58 0.12 -0.47 0.00 0.00 0.00 175.10 175.34 2b25 s TYR 216 N -0.47 3.17 -0.05 5.22 5.04 0.31 -0.29 117.35 130.28 2b25 s TYR 216 Ca 0.06 -0.81 -0.01 0.00 -2.44 0.00 0.00 57.07 53.86 2b25 s TYR 216 Cb -0.12 -2.31 0.03 0.00 0.35 0.00 0.00 41.96 39.91 2b25 s TYR 216 CO 0.01 -0.53 0.03 0.08 -1.34 0.00 0.00 175.55 173.80 2b25 s VAL 217 N 1.55 0.11 0.06 3.14 1.01 0.01 -4.43 120.40 121.86 2b25 s VAL 217 Ca 0.03 0.26 -0.19 0.00 0.00 0.00 0.00 61.98 62.09 2b25 s VAL 217 Cb -0.17 -0.31 -0.11 0.00 0.00 0.00 0.00 36.38 35.79 2b25 s VAL 217 CO 0.04 0.20 1.41 0.58 0.00 0.00 0.00 175.10 177.33 2b25 h VAL 218 N 6.37 1.31 -3.20 2.92 2.07 -1.82 1.32 116.25 125.22 2b25 h VAL 218 Ca -0.20 -1.23 -0.67 0.00 0.82 0.00 0.00 66.70 65.43 2b25 h VAL 218 Cb 1.12 1.67 -0.12 0.00 -1.52 0.00 0.00 31.29 32.44 2b25 h VAL 218 CO 0.24 0.37 -0.60 0.20 0.02 0.00 0.00 177.57 177.81 2b25 s ASN 219 N -6.16 5.45 0.42 0.57 0.01 -1.26 -4.24 114.94 109.72 2b25 s ASN 219 Ca -0.14 0.14 0.13 0.00 -0.71 0.00 0.00 52.86 52.29 2b25 s ASN 219 Cb 0.07 -1.54 0.88 0.00 0.41 0.00 0.00 41.25 41.07 2b25 s ASN 219 CO 0.77 0.33 1.93 -0.29 -1.51 0.00 0.00 177.10 178.32 2b25 h ILE 220 N 3.71 1.18 -0.20 0.60 6.09 -2.00 -1.45 117.51 125.44 2b25 h ILE 220 Ca -0.50 -0.85 -0.05 0.00 -1.37 0.00 0.00 64.86 62.08 2b25 h ILE 220 Cb 1.19 1.44 -0.01 0.00 0.47 0.00 0.00 36.82 39.90 2b25 h ILE 220 CO 0.58 0.25 -0.09 0.71 -3.07 0.00 0.00 178.15 176.52 2b25 h THR 221 N 0.02 1.18 -0.44 2.19 1.35 -1.99 -2.03 112.91 113.19 2b25 h THR 221 Ca 0.00 -0.77 -0.08 0.00 -0.55 0.00 0.00 66.41 65.02 2b25 h THR 221 Cb 0.44 1.13 -0.02 0.00 -1.73 0.00 0.00 68.15 67.97 2b25 h THR 221 CO 0.03 0.25 -0.05 1.56 -0.25 0.00 0.00 175.52 177.06 2b25 h GLN 222 N 0.30 0.76 -0.97 4.72 4.20 -1.68 -1.79 115.11 120.65 2b25 h GLN 222 Ca 0.06 -0.22 0.01 0.00 0.06 0.00 0.00 58.65 58.56 2b25 h GLN 222 Cb 0.35 -0.08 -0.05 0.00 0.30 0.00 0.00 27.48 28.01 2b25 h GLN 222 CO 0.02 0.80 0.64 0.28 -0.67 0.00 0.00 178.83 179.90 2b25 h VAL 223 N 0.70 1.25 -0.12 -0.54 2.07 -1.24 0.10 116.25 118.47 2b25 h VAL 223 Ca 0.13 -0.45 -0.03 0.00 0.82 0.00 0.00 66.70 67.16 2b25 h VAL 223 Cb 0.50 -0.18 -0.00 0.00 -1.52 0.00 0.00 31.29 30.09 2b25 h VAL 223 CO 0.03 0.24 -0.06 0.40 0.02 0.00 0.00 177.57 178.20 2b25 h ILE 224 N 1.31 1.32 -0.69 4.57 2.04 -1.20 -0.45 117.51 124.41 2b25 h ILE 224 Ca 0.35 -1.08 0.15 0.00 1.00 0.00 0.00 64.86 65.29 2b25 h ILE 224 Cb -0.15 1.77 -0.11 0.00 -0.74 0.00 0.00 36.82 37.59 2b25 h ILE 224 CO -0.08 0.31 0.09 -0.33 0.00 0.00 0.00 178.15 178.14 2b25 h GLU 225 N -0.09 0.18 -0.43 2.37 5.08 -1.00 -0.03 114.58 120.66 2b25 h GLU 225 Ca 0.03 -0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.38 2b25 h GLU 225 Cb 0.51 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.70 2b25 h GLU 225 CO 0.02 0.12 0.28 1.25 -1.00 0.00 0.00 179.01 179.68 2b25 h LEU 226 N 0.19 0.48 -0.81 1.33 5.85 -0.45 0.95 115.31 122.85 2b25 h LEU 226 Ca 0.38 -0.01 -0.11 0.00 0.84 0.00 0.00 57.88 58.98 2b25 h LEU 226 Cb 0.64 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.54 2b25 h LEU 226 CO -0.54 0.35 -0.26 -0.07 -0.34 0.00 0.00 178.44 177.58 2b25 h LEU 227 N 0.57 0.61 -0.60 2.25 3.38 -0.00 -2.72 115.31 118.80 2b25 h LEU 227 Ca 0.16 -0.22 -0.14 0.00 0.09 0.00 0.00 57.88 57.77 2b25 h LEU 227 Cb -0.05 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.51 2b25 h LEU 227 CO -0.04 0.85 -0.67 -0.78 0.09 0.00 0.00 178.44 177.89 2b25 h ASP 228 N 0.53 0.00 -0.69 -0.43 3.58 -0.87 -2.92 116.42 115.62 2b25 h ASP 228 Ca 0.07 0.00 -0.03 0.00 0.42 0.00 0.00 57.03 57.49 2b25 h ASP 228 Cb 0.72 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 41.74 2b25 h ASP 228 CO 0.06 0.67 0.33 1.23 -2.88 0.00 0.00 179.24 178.64 2b25 h GLY 229 N 2.16 1.09 0.77 -0.78 0.00 -0.52 -2.52 103.07 103.26 2b25 h GLY 229 Ca -0.01 -0.53 -0.04 0.00 0.00 0.00 0.00 47.33 46.75 2b25 h GLY 229 CO 0.09 0.51 -0.06 -2.22 0.00 0.00 0.00 176.54 174.86 2b25 h ILE 230 N 1.01 1.30 -0.46 2.60 2.04 -1.36 -2.02 117.51 120.61 2b25 h ILE 230 Ca 0.24 -1.06 0.00 0.00 1.00 0.00 0.00 64.86 65.05 2b25 h ILE 230 Cb 0.12 1.66 -0.02 0.00 -0.74 0.00 0.00 36.82 37.84 2b25 h ILE 230 CO -0.03 0.31 0.29 0.03 0.00 0.00 0.00 178.15 178.76 2b25 h ARG 231 N 0.02 0.61 0.00 2.37 3.08 -1.51 0.25 114.38 119.20 2b25 h ARG 231 Ca 0.04 -0.04 -0.11 0.00 0.07 0.00 0.00 59.98 59.94 2b25 h ARG 231 Cb 0.51 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 30.41 2b25 h ARG 231 CO 0.02 0.42 -0.51 1.79 -1.07 0.00 0.00 179.97 180.62 2b25 h THR 232 N 0.62 1.26 -0.00 2.04 1.35 -1.48 -2.29 112.91 114.41 2b25 h THR 232 Ca 0.17 -1.81 0.00 0.00 -0.55 0.00 0.00 66.41 64.22 2b25 h THR 232 Cb -0.05 2.01 0.00 0.00 -1.73 0.00 0.00 68.15 68.38 2b25 h THR 232 CO -0.03 0.50 -0.24 0.00 -0.25 0.00 0.00 175.52 175.50 2b25 n GLU 234 N -0.99 -1.50 -2.60 0.00 1.02 0.83 -4.98 120.64 112.43 2b25 n GLU 234 Ca 0.11 1.03 -0.39 0.00 -0.02 0.00 0.00 57.16 57.90 2b25 n GLU 234 Cb 0.32 -5.54 -0.05 0.00 -0.02 0.00 0.00 31.44 26.15 2b25 n GLU 234 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2b25 s LEU 235 N -5.27 4.42 -1.19 -4.62 1.43 -0.93 -4.93 118.68 107.59 2b25 s LEU 235 Ca 0.00 2.07 -0.08 0.00 -1.03 0.00 0.00 54.13 55.09 2b25 s LEU 235 Cb 0.00 -3.84 -0.09 0.00 0.03 0.00 0.00 46.19 42.29 2b25 s LEU 235 CO 0.00 -0.17 3.03 0.00 0.23 0.00 0.00 176.35 179.44 2b25 n ALA 236 N 0.80 7.18 -3.11 4.21 0.00 -1.26 -4.81 120.51 123.53 2b25 n ALA 236 Ca 0.01 -3.22 -0.42 0.00 0.00 0.00 0.00 53.44 49.81 2b25 n ALA 236 Cb 0.47 -3.02 -0.09 0.00 0.00 0.00 0.00 19.45 16.81 2b25 n ALA 236 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2b25 s LEU 237 N -0.27 5.27 -0.15 0.00 1.43 -1.26 -1.60 118.68 122.11 2b25 s LEU 237 Ca 0.67 -1.40 -0.21 0.00 -1.03 0.00 0.00 54.13 52.16 2b25 s LEU 237 Cb 0.22 -2.05 -0.03 0.00 0.03 0.00 0.00 46.19 44.35 2b25 s LEU 237 CO -0.06 -0.56 0.61 -0.55 0.23 0.00 0.00 176.35 176.03 2b25 s SER 238 N 2.22 6.76 -0.32 2.29 0.15 -0.27 -4.83 113.70 119.71 2b25 s SER 238 Ca 0.03 0.92 -0.29 0.00 0.70 0.00 0.00 55.95 57.31 2b25 s SER 238 Cb -0.23 -2.35 0.01 0.00 -1.71 0.00 0.00 66.02 61.74 2b25 s SER 238 CO 0.04 -0.17 1.23 0.00 1.20 0.00 0.00 173.24 175.54 2b25 n GLU 240 N 7.23 0.68 -3.62 0.00 1.02 0.28 -5.01 120.64 121.22 2b25 n GLU 240 Ca 0.14 0.21 -0.14 0.00 -0.02 0.00 0.00 57.16 57.34 2b25 n GLU 240 Cb 0.47 -1.68 -0.07 0.00 -0.02 0.00 0.00 31.44 30.14 2b25 n GLU 240 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 2b25 s LYS 241 N -2.55 0.86 -0.12 3.49 2.20 -1.21 -5.00 119.74 117.40 2b25 s LYS 241 Ca -0.15 0.92 -0.00 0.00 -0.36 0.00 0.00 55.97 56.37 2b25 s LYS 241 Cb 0.07 0.42 0.02 0.00 -1.51 0.00 0.00 37.83 36.83 2b25 s LYS 241 CO 0.78 -0.12 -0.09 0.42 -0.36 0.00 0.00 175.35 175.97 2b25 s ILE 242 N 0.21 1.15 0.05 5.43 1.01 -1.26 -0.87 121.20 126.92 2b25 s ILE 242 Ca -0.01 -0.37 0.05 0.00 0.00 0.00 0.00 60.65 60.32 2b25 s ILE 242 Cb -0.04 -1.14 -0.02 0.00 0.01 0.00 0.00 42.46 41.26 2b25 s ILE 242 CO 0.02 0.39 -0.15 -0.44 0.00 0.00 0.00 174.94 174.76 2b25 s SER 243 N 1.62 1.74 -0.10 3.58 0.01 -0.65 -4.95 113.70 114.95 2b25 s SER 243 Ca 0.04 -0.50 -0.03 0.00 1.31 0.00 0.00 55.95 56.77 2b25 s SER 243 Cb -0.13 -0.10 -0.04 0.00 0.21 0.00 0.00 66.02 65.97 2b25 s SER 243 CO -0.08 0.02 0.04 -1.61 0.41 0.00 0.00 173.24 172.02 2b25 s GLU 244 N -1.27 3.14 -0.27 12.44 2.02 -1.26 -1.37 118.70 132.13 2b25 s GLU 244 Ca 0.01 -0.34 -0.03 0.00 0.02 0.00 0.00 54.97 54.64 2b25 s GLU 244 Cb -0.08 -2.91 0.03 0.00 0.10 0.00 0.00 34.13 31.27 2b25 s GLU 244 CO 0.02 0.70 -0.02 0.08 0.02 0.00 0.00 175.26 176.06 2b25 s VAL 245 N -0.85 3.13 -0.15 2.63 1.01 -1.26 -5.08 120.40 119.83 2b25 s VAL 245 Ca 0.13 -1.06 -0.02 0.00 0.00 0.00 0.00 61.98 61.04 2b25 s VAL 245 Cb -0.12 -2.65 -0.02 0.00 0.00 0.00 0.00 36.38 33.59 2b25 s VAL 245 CO 0.03 0.09 -0.09 -0.63 0.00 0.00 0.00 175.10 174.49 2b25 s ILE 246 N 1.34 3.33 -0.17 2.22 1.09 -1.26 -4.93 121.20 122.82 2b25 s ILE 246 Ca -0.01 -0.56 0.01 0.00 -1.10 0.00 0.00 60.65 59.00 2b25 s ILE 246 Cb -0.18 -2.43 0.02 0.00 -1.06 0.00 0.00 42.46 38.81 2b25 s ILE 246 CO -0.02 0.51 -0.20 -0.69 -0.10 0.00 0.00 174.94 174.43 2b25 s VAL 247 N 0.47 2.05 -0.28 2.92 1.01 -1.26 -5.10 120.40 120.21 2b25 s VAL 247 Ca -0.07 -0.94 -0.04 0.00 0.00 0.00 0.00 61.98 60.92 2b25 s VAL 247 Cb -0.15 -1.84 0.02 0.00 0.00 0.00 0.00 36.38 34.40 2b25 s VAL 247 CO 0.04 0.54 0.02 -0.60 0.00 0.00 0.00 175.10 175.10 2b25 s ARG 248 N 1.21 2.94 0.52 2.72 3.52 -1.26 -4.92 118.95 123.68 2b25 s ARG 248 Ca 0.03 -0.93 -0.18 0.00 -0.13 0.00 0.00 55.73 54.52 2b25 s ARG 248 Cb -0.13 -3.20 -0.07 0.00 -1.56 0.00 0.00 34.95 29.99 2b25 s ARG 248 CO -0.11 -0.44 1.02 -0.51 -0.81 0.00 0.00 175.30 174.45 2b25 s ASP 249 N 1.41 6.33 0.06 -2.12 1.01 -1.26 -4.99 116.67 117.11 2b25 s ASP 249 Ca 0.01 1.76 0.09 0.00 0.71 0.00 0.00 52.55 55.12 2b25 s ASP 249 Cb -0.17 -2.53 -0.03 0.00 1.01 0.00 0.00 42.92 41.19 2b25 s ASP 249 CO -0.01 -0.79 -0.26 0.26 0.21 0.00 0.00 175.17 174.58 2b25 s TRP 250 N -2.34 2.33 -0.27 4.23 0.52 -1.26 -1.41 118.94 120.74 2b25 s TRP 250 Ca 0.63 -0.40 -0.10 0.00 0.02 0.00 0.00 56.10 56.25 2b25 s TRP 250 Cb -0.13 -1.38 -0.05 0.00 -1.15 0.00 0.00 33.47 30.76 2b25 s TRP 250 CO 0.27 0.16 0.17 -1.17 0.02 0.00 0.00 176.95 176.40 2b25 s LEU 251 N -1.35 3.92 -0.14 2.99 2.96 0.11 -4.82 118.68 122.36 2b25 s LEU 251 Ca 0.12 -0.04 -0.00 0.00 -0.22 0.00 0.00 54.13 53.99 2b25 s LEU 251 Cb -0.10 -2.09 0.03 0.00 0.50 0.00 0.00 46.19 44.53 2b25 s LEU 251 CO 0.03 -0.05 -0.09 -0.69 -1.32 0.00 0.00 176.35 174.23 2b25 s VAL 252 N 1.73 1.20 0.39 1.68 1.01 -1.26 -1.84 120.40 123.31 2b25 s VAL 252 Ca 0.07 -0.48 -0.11 0.00 0.00 0.00 0.00 61.98 61.45 2b25 s VAL 252 Cb -0.16 -1.23 0.04 0.00 0.00 0.00 0.00 36.38 35.03 2b25 s VAL 252 CO 0.10 0.32 0.71 0.00 0.00 0.00 0.00 175.10 176.23 2b25 n LEU 254 N -0.56 3.74 0.00 0.00 4.77 -1.26 -4.72 117.00 118.98 2b25 n LEU 254 Ca -0.06 -2.85 0.00 0.00 -0.03 0.00 0.00 56.01 53.07 2b25 n LEU 254 Cb 0.60 -1.17 0.00 0.00 -2.33 0.00 0.00 43.42 40.53 2b25 n LEU 254 CO 0.28 -0.69 0.00 1.33 -1.33 0.00 0.00 177.39 176.99 2b25 n VAL 309 N 6.33 0.00 -4.39 4.08 0.24 -1.26 -5.31 118.33 118.03 2b25 n VAL 309 Ca 0.49 0.00 -0.23 0.00 -2.04 0.00 0.00 64.34 62.56 2b25 n VAL 309 Cb 0.41 0.00 -0.17 0.00 -1.47 0.00 0.00 33.84 32.62 2b25 n VAL 309 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2b25 s ALA 310 N -0.21 1.04 0.03 2.33 0.00 -1.26 -4.06 121.76 119.63 2b25 s ALA 310 Ca 0.00 -0.28 -0.27 0.00 0.00 0.00 0.00 51.96 51.40 2b25 s ALA 310 Cb 0.00 -0.53 0.09 0.00 0.00 0.00 0.00 23.12 22.68 2b25 s ALA 310 CO 0.00 0.04 0.76 -0.98 0.00 0.00 0.00 175.76 175.57 2b25 s ARG 311 N 0.82 1.01 0.71 0.00 1.70 -0.77 -5.01 118.95 117.41 2b25 s ARG 311 Ca -0.12 -0.22 -0.16 0.00 -0.47 0.00 0.00 55.73 54.76 2b25 s ARG 311 Cb -0.15 0.47 -0.00 0.00 -0.57 0.00 0.00 34.95 34.69 2b25 s ARG 311 CO 0.02 -0.41 0.93 -2.30 -1.08 0.00 0.00 175.30 172.46 2b25 n PRO 312 N 0.00 0.53 -0.99 3.89 -0.02 -1.26 0.08 135.00 137.23 2b25 n PRO 312 Ca -0.14 0.23 -0.29 0.00 -2.02 0.00 0.00 63.50 61.28 2b25 n PRO 312 Cb 0.62 -2.19 0.17 0.00 -0.02 0.00 0.00 33.50 32.08 2b25 n PRO 312 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 2b25 s VAL 313 N -1.79 2.38 -0.13 -1.45 -7.23 -0.50 -4.63 120.40 107.06 2b25 s VAL 313 Ca 0.73 0.12 -0.21 0.00 -1.81 0.00 0.00 61.98 60.81 2b25 s VAL 313 Cb -0.35 -2.45 -0.26 0.00 0.56 0.00 0.00 36.38 33.88 2b25 s VAL 313 CO 0.50 -0.16 0.59 1.12 -0.31 0.00 0.00 175.10 176.84 2b25 h HIS 314 N -1.87 0.26 -3.53 2.82 2.07 -1.93 -3.44 115.15 109.53 2b25 h HIS 314 Ca -0.52 -0.19 -0.60 0.00 -2.85 0.00 0.00 60.37 56.22 2b25 h HIS 314 Cb 1.30 -0.01 -0.10 0.00 2.57 0.00 0.00 27.41 31.17 2b25 h HIS 314 CO 0.39 1.36 0.56 1.67 -3.07 0.00 0.00 177.93 178.84 2b25 s TRP 315 N -2.38 3.05 -0.29 6.12 1.48 -1.26 -5.02 118.94 120.63 2b25 s TRP 315 Ca -0.21 0.66 0.02 0.00 -1.06 0.00 0.00 56.10 55.51 2b25 s TRP 315 Cb 0.02 -3.68 0.07 0.00 -1.16 0.00 0.00 33.47 28.73 2b25 s TRP 315 CO 0.72 -0.87 -0.04 -1.14 -4.06 0.00 0.00 176.95 171.57 2b25 s GLN 316 N 3.47 2.07 0.13 3.25 2.00 -1.26 -5.03 119.66 124.29 2b25 s GLN 316 Ca 0.37 -1.49 -0.31 0.00 -2.00 0.00 0.00 55.36 51.92 2b25 s GLN 316 Cb -0.12 -3.05 -0.09 0.00 0.80 0.00 0.00 33.01 30.55 2b25 s GLN 316 CO 0.20 -0.70 1.57 -1.25 -0.50 0.00 0.00 175.29 174.62 2b25 s PRO 317 N 1.08 4.22 0.00 1.67 0.04 -1.26 -4.96 135.00 135.79 2b25 s PRO 317 Ca -0.03 2.32 0.00 0.00 0.04 0.00 0.00 61.00 63.33 2b25 s PRO 317 Cb -0.20 -3.31 0.00 0.00 0.04 0.00 0.00 34.50 31.03 2b25 s PRO 317 CO -0.05 -0.63 0.00 0.41 0.04 0.00 0.00 177.00 176.77 2b25 n GLY 318 N 3.80 1.34 3.77 0.56 0.00 -1.26 -4.94 105.19 108.46 2b25 n GLY 318 Ca 0.14 -1.58 -0.41 0.00 0.00 0.00 0.00 46.02 44.17 2b25 n GLY 318 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2b25 s HIS 319 N 1.83 2.65 0.01 1.61 2.46 -1.26 -4.96 115.29 117.64 2b25 s HIS 319 Ca 0.00 1.12 -0.04 0.00 0.47 0.00 0.00 55.06 56.61 2b25 s HIS 319 Cb 0.00 -4.00 -0.01 0.00 -0.13 0.00 0.00 32.58 28.43 2b25 s HIS 319 CO 0.00 -3.01 -0.07 0.25 -2.47 0.00 0.00 174.74 169.44 2b25 n THR 320 N 0.80 0.92 -3.56 0.89 -2.24 -1.26 -5.15 114.28 104.67 2b25 n THR 320 Ca 0.02 0.27 -0.09 0.00 -2.27 0.00 0.00 64.05 61.99 2b25 n THR 320 Cb 0.39 -1.61 -0.02 0.00 -2.10 0.00 0.00 70.33 66.99 2b25 n THR 320 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2b25 s ALA 321 N -2.27 -1.62 0.03 6.98 0.00 -1.26 -4.60 121.76 119.01 2b25 s ALA 321 Ca -0.06 0.49 -0.17 0.00 0.00 0.00 0.00 51.96 52.21 2b25 s ALA 321 Cb 0.01 0.69 -0.06 0.00 0.00 0.00 0.00 23.12 23.76 2b25 s ALA 321 CO 0.09 -0.83 0.50 -0.06 0.00 0.00 0.00 175.76 175.46 2b25 s PHE 322 N -3.50 3.75 -0.26 0.00 0.40 0.45 -4.65 117.98 114.18 2b25 s PHE 322 Ca 0.05 1.13 -0.03 0.00 -0.60 0.00 0.00 56.93 57.49 2b25 s PHE 322 Cb -0.02 -2.42 0.02 0.00 0.51 0.00 0.00 43.02 41.12 2b25 s PHE 322 CO -0.06 0.58 -0.03 -0.51 0.70 0.00 0.00 175.22 175.90 2b25 s LEU 323 N -0.97 3.36 -0.16 -0.37 1.43 -0.47 -0.81 118.68 120.70 2b25 s LEU 323 Ca 0.27 -0.84 -0.04 0.00 -1.03 0.00 0.00 54.13 52.49 2b25 s LEU 323 Cb -0.18 -1.72 -0.03 0.00 0.03 0.00 0.00 46.19 44.29 2b25 s LEU 323 CO 0.16 -0.14 -0.02 -0.69 0.23 0.00 0.00 176.35 175.88 2b25 s VAL 324 N 1.37 4.02 -0.40 -1.59 1.01 0.60 -1.63 120.40 123.77 2b25 s VAL 324 Ca 0.01 -0.31 -0.05 0.00 0.00 0.00 0.00 61.98 61.62 2b25 s VAL 324 Cb -0.17 -2.77 0.09 0.00 0.00 0.00 0.00 36.38 33.53 2b25 s VAL 324 CO -0.03 0.49 0.19 -0.75 0.00 0.00 0.00 175.10 175.01 2b25 s LYS 325 N 0.33 2.33 0.03 2.72 2.20 -0.05 -0.56 119.74 126.74 2b25 s LYS 325 Ca -0.03 -1.58 0.01 0.00 -0.36 0.00 0.00 55.97 54.02 2b25 s LYS 325 Cb -0.14 -3.60 -0.04 0.00 -1.51 0.00 0.00 37.83 32.54 2b25 s LYS 325 CO 0.03 -0.95 0.07 -0.51 -0.36 0.00 0.00 175.35 173.63 2b25 s LEU 326 N 1.28 3.82 -0.03 5.43 1.43 0.02 -0.56 118.68 130.08 2b25 s LEU 326 Ca 0.04 0.06 0.02 0.00 -1.03 0.00 0.00 54.13 53.22 2b25 s LEU 326 Cb -0.22 -2.35 0.01 0.00 0.03 0.00 0.00 46.19 43.65 2b25 s LEU 326 CO -0.01 0.23 -0.10 -0.60 0.23 0.00 0.00 176.35 176.10 2b25 s ARG 327 N -2.02 1.09 0.02 1.70 3.52 -0.48 -0.63 118.95 122.16 2b25 s ARG 327 Ca 0.26 -0.32 -0.30 0.00 -0.13 0.00 0.00 55.73 55.23 2b25 s ARG 327 Cb -0.12 -1.00 -0.05 0.00 -1.56 0.00 0.00 34.95 32.22 2b25 s ARG 327 CO 0.17 0.10 1.20 0.21 -0.81 0.00 0.00 175.30 176.16 2b25 s LYS 328 N 0.30 4.41 0.00 5.12 2.20 -0.31 -1.11 119.74 130.35 2b25 s LYS 328 Ca -0.05 1.73 0.00 0.00 -0.36 0.00 0.00 55.97 57.29 2b25 s LYS 328 Cb -0.10 -3.42 0.00 0.00 -1.51 0.00 0.00 37.83 32.80 2b25 s LYS 328 CO 0.01 -0.31 0.14 0.28 -0.36 0.00 0.00 175.35 175.11