#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a55 s ALA 2 N 0.00 1.72 -0.24 4.31 0.00 -1.26 -4.99 121.76 121.30 1a55 s ALA 2 Ca 0.00 -1.35 -0.08 0.00 0.00 0.00 0.00 51.96 50.53 1a55 s ALA 2 Cb 0.00 -0.14 -0.04 0.00 0.00 0.00 0.00 23.12 22.94 1a55 s ALA 2 CO 0.00 0.19 0.10 -1.12 0.00 0.00 0.00 175.76 174.94 1a55 s SER 3 N -2.42 5.50 0.16 0.00 0.01 -1.25 -0.85 113.70 114.84 1a55 s SER 3 Ca 0.11 -0.09 0.08 0.00 1.31 0.00 0.00 55.95 57.36 1a55 s SER 3 Cb -0.06 -1.99 -0.04 0.00 0.21 0.00 0.00 66.02 64.14 1a55 s SER 3 CO 0.05 0.01 -0.10 -0.76 0.41 0.00 0.00 173.24 172.84 1a55 s LEU 4 N 1.37 2.97 -0.04 2.44 1.43 0.87 -5.00 118.68 122.71 1a55 s LEU 4 Ca 0.06 -0.53 0.02 0.00 -1.03 0.00 0.00 54.13 52.65 1a55 s LEU 4 Cb -0.15 -1.69 0.01 0.00 0.03 0.00 0.00 46.19 44.39 1a55 s LEU 4 CO 0.05 0.13 -0.09 0.42 0.23 0.00 0.00 176.35 177.09 1a55 s THR 5 N -1.53 0.82 0.14 5.49 -4.23 -1.26 -1.82 115.64 113.25 1a55 s THR 5 Ca 0.23 -0.34 0.06 0.00 -1.18 0.00 0.00 61.69 60.46 1a55 s THR 5 Cb -0.09 -0.76 -0.04 0.00 1.34 0.00 0.00 72.50 72.95 1a55 s THR 5 CO 0.14 0.27 -0.14 -0.83 -0.54 0.00 0.00 174.62 173.52 1a55 s GLY 6 N 0.47 1.15 -0.10 3.99 0.00 0.52 -0.94 107.32 112.41 1a55 s GLY 6 Ca -0.08 -1.38 -0.15 0.00 0.00 0.00 0.00 44.72 43.11 1a55 s GLY 6 CO 0.01 -1.44 0.39 0.00 0.00 0.00 0.00 173.10 172.06 1a55 s ALA 7 N -2.34 -0.98 0.00 3.20 0.00 -0.71 -1.82 121.76 119.10 1a55 s ALA 7 Ca 0.12 0.88 0.00 0.00 0.00 0.00 0.00 51.96 52.96 1a55 s ALA 7 Cb -0.04 -0.37 0.00 0.00 0.00 0.00 0.00 23.12 22.71 1a55 s ALA 7 CO 0.04 -0.23 0.00 0.41 0.00 0.00 0.00 175.76 175.98 1a55 n GLY 8 N 2.19 0.02 3.41 0.00 0.00 -0.20 -0.85 105.19 109.76 1a55 n GLY 8 Ca -0.16 -0.88 -0.48 0.00 0.00 0.00 0.00 46.02 44.49 1a55 n GLY 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a55 n ALA 9 N -0.53 -2.85 0.07 4.61 0.00 -0.31 -1.17 120.51 120.33 1a55 n ALA 9 Ca 0.00 0.44 0.10 0.00 0.00 0.00 0.00 53.44 53.98 1a55 n ALA 9 Cb 0.00 -1.62 -0.05 0.00 0.00 0.00 0.00 19.45 17.77 1a55 n ALA 9 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1a55 n THR 10 N 0.05 0.54 -0.21 0.00 -2.24 -1.26 -4.03 114.28 107.13 1a55 n THR 10 Ca 0.18 -0.56 -0.02 0.00 -2.27 0.00 0.00 64.05 61.38 1a55 n THR 10 Cb 0.25 -0.30 0.04 0.00 -2.10 0.00 0.00 70.33 68.22 1a55 n THR 10 CO 0.00 0.00 0.00 0.15 -0.57 0.00 0.00 175.07 174.65 1a55 h PHE 11 N 0.00 -0.60 -0.33 4.78 3.04 -2.00 -2.59 116.94 119.24 1a55 h PHE 11 Ca -0.03 0.06 0.00 0.00 3.98 0.00 0.00 57.97 61.99 1a55 h PHE 11 Cb 1.08 0.36 0.00 0.00 2.56 0.00 0.00 35.95 39.95 1a55 h PHE 11 CO 0.00 -0.33 0.00 -0.35 -2.02 0.00 0.00 178.31 175.61 1a55 n PRO 12 N -5.44 2.24 -0.27 6.41 -0.04 -1.26 -4.72 135.00 131.91 1a55 n PRO 12 Ca 0.06 -2.06 0.08 0.00 -0.04 0.00 0.00 63.50 61.54 1a55 n PRO 12 Cb 0.35 -1.41 0.21 0.00 -0.04 0.00 0.00 33.50 32.60 1a55 n PRO 12 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1a55 h ALA 13 N 3.58 0.98 -0.30 0.55 0.00 -1.60 -0.52 119.26 121.95 1a55 h ALA 13 Ca 0.00 0.23 0.05 0.00 0.00 0.00 0.00 54.91 55.19 1a55 h ALA 13 Cb 0.85 0.37 -0.04 0.00 0.00 0.00 0.00 17.79 18.96 1a55 h ALA 13 CO 0.00 -0.43 0.04 -1.35 0.00 0.00 0.00 179.25 177.51 1a55 h PRO 14 N 0.16 0.14 -0.17 0.00 0.11 -1.85 0.35 132.00 130.73 1a55 h PRO 14 Ca 0.47 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 66.55 1a55 h PRO 14 Cb 0.87 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 31.94 1a55 h PRO 14 CO -0.65 0.09 0.06 0.28 -0.21 0.00 0.00 178.00 177.57 1a55 h VAL 15 N 0.14 1.17 -0.78 3.15 2.07 -1.53 -2.68 116.25 117.80 1a55 h VAL 15 Ca 0.14 -0.54 -0.05 0.00 0.82 0.00 0.00 66.70 67.08 1a55 h VAL 15 Cb 0.17 1.21 -0.03 0.00 -1.52 0.00 0.00 31.29 31.11 1a55 h VAL 15 CO -0.21 0.17 0.30 1.88 0.02 0.00 0.00 177.57 179.73 1a55 h TYR 16 N 0.11 1.20 -0.72 1.57 0.05 -0.67 0.53 116.97 119.05 1a55 h TYR 16 Ca 0.06 -0.10 -0.02 0.00 0.05 0.00 0.00 58.73 58.72 1a55 h TYR 16 Cb 0.21 -0.36 -0.03 0.00 1.01 0.00 0.00 36.73 37.55 1a55 h TYR 16 CO -0.00 0.92 0.37 0.00 -1.05 0.00 0.00 178.16 178.40 1a55 h ALA 17 N 1.16 0.92 -0.42 3.88 0.00 -0.36 -2.08 119.26 122.35 1a55 h ALA 17 Ca 0.26 -0.13 -0.09 0.00 0.00 0.00 0.00 54.91 54.95 1a55 h ALA 17 Cb 0.23 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1a55 h ALA 17 CO -0.02 0.46 -0.09 -0.22 0.00 0.00 0.00 179.25 179.38 1a55 h LYS 18 N 1.00 0.81 -0.68 0.00 3.11 -1.33 -1.43 116.57 118.04 1a55 h LYS 18 Ca 0.25 -0.30 -0.06 0.00 -2.81 0.00 0.00 60.65 57.73 1a55 h LYS 18 Cb 0.07 -0.05 -0.03 0.00 -1.00 0.00 0.00 32.23 31.22 1a55 h LYS 18 CO -0.04 0.92 0.18 -1.49 -2.81 0.00 0.00 179.45 176.22 1a55 h TRP 19 N 0.63 1.12 -0.34 1.91 6.55 -0.85 -2.71 115.95 122.26 1a55 h TRP 19 Ca 0.11 -0.13 -0.07 0.00 0.95 0.00 0.00 58.89 59.75 1a55 h TRP 19 Cb 0.62 -0.32 -0.01 0.00 -0.86 0.00 0.00 29.16 28.59 1a55 h TRP 19 CO 0.05 0.91 -0.06 0.00 -1.05 0.00 0.00 178.44 178.29 1a55 h ALA 20 N 1.08 0.47 -0.16 1.49 0.00 -0.64 -1.45 119.26 120.05 1a55 h ALA 20 Ca 0.21 -0.29 0.02 0.00 0.00 0.00 0.00 54.91 54.86 1a55 h ALA 20 Cb 0.34 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 1a55 h ALA 20 CO -0.00 0.29 0.02 0.22 0.00 0.00 0.00 179.25 179.78 1a55 h ASP 21 N 0.44 -0.02 -0.35 0.00 3.58 -1.27 -2.07 116.42 116.73 1a55 h ASP 21 Ca 0.09 0.03 -0.05 0.00 0.42 0.00 0.00 57.03 57.52 1a55 h ASP 21 Cb 0.55 0.04 -0.01 0.00 1.72 0.00 0.00 39.33 41.63 1a55 h ASP 21 CO 0.03 0.01 0.01 0.74 -2.88 0.00 0.00 179.24 177.16 1a55 h THR 22 N 0.08 1.25 -0.80 2.25 2.02 -1.38 -2.94 112.91 113.39 1a55 h THR 22 Ca 0.07 -0.94 -0.01 0.00 0.77 0.00 0.00 66.41 66.30 1a55 h THR 22 Cb 0.08 1.18 -0.04 0.00 -1.74 0.00 0.00 68.15 67.63 1a55 h THR 22 CO -0.11 0.31 0.47 0.22 0.37 0.00 0.00 175.52 176.79 1a55 h TYR 23 N 0.42 1.06 -0.16 3.16 3.20 -1.18 -0.99 116.97 122.49 1a55 h TYR 23 Ca 0.10 -0.01 0.02 0.00 3.14 0.00 0.00 58.73 61.98 1a55 h TYR 23 Cb 0.43 -0.35 -0.02 0.00 1.54 0.00 0.00 36.73 38.33 1a55 h TYR 23 CO 0.03 0.72 0.02 0.37 -1.64 0.00 0.00 178.16 177.66 1a55 h GLN 24 N 1.10 0.08 -0.62 1.82 4.15 -1.36 0.12 115.11 120.39 1a55 h GLN 24 Ca 0.29 -0.00 0.03 0.00 0.77 0.00 0.00 58.65 59.73 1a55 h GLN 24 Cb -0.02 -0.02 -0.04 0.00 0.21 0.00 0.00 27.48 27.61 1a55 h GLN 24 CO -0.05 0.05 0.38 0.87 -1.93 0.00 0.00 178.83 178.15 1a55 h LYS 25 N 0.08 0.72 0.11 1.69 1.57 -1.41 0.75 116.57 120.10 1a55 h LYS 25 Ca 0.07 -0.04 -0.27 0.00 -1.87 0.00 0.00 60.65 58.53 1a55 h LYS 25 Cb 0.07 -0.16 0.01 0.00 0.08 0.00 0.00 32.23 32.23 1a55 h LYS 25 CO -0.10 0.48 -1.20 1.49 -0.57 0.00 0.00 179.45 179.55 1a55 h GLU 26 N 0.75 0.38 0.00 3.15 4.81 -1.10 -3.41 114.58 119.15 1a55 h GLU 26 Ca 0.25 -0.56 0.00 0.00 -0.13 0.00 0.00 59.36 58.92 1a55 h GLU 26 Cb 0.03 0.20 0.00 0.00 0.63 0.00 0.00 28.75 29.60 1a55 h GLU 26 CO -0.11 1.24 -0.45 0.25 -0.73 0.00 0.00 179.01 179.22 1a55 n THR 27 N -3.64 0.00 -0.34 0.32 -2.24 0.39 -5.04 114.28 103.73 1a55 n THR 27 Ca -0.10 -0.17 0.00 0.00 -2.27 0.00 0.00 64.05 61.51 1a55 n THR 27 Cb 0.98 0.66 0.00 0.00 -2.10 0.00 0.00 70.33 69.87 1a55 n THR 27 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1a55 n GLY 28 N 1.46 2.16 3.76 3.38 0.00 0.26 -4.70 105.19 111.52 1a55 n GLY 28 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 1a55 n GLY 28 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1a55 s ASN 29 N -3.57 7.02 -0.19 1.61 0.01 -1.26 -4.65 114.94 113.92 1a55 s ASN 29 Ca 0.00 2.48 -0.08 0.00 -0.71 0.00 0.00 52.86 54.55 1a55 s ASN 29 Cb 0.00 -2.64 -0.04 0.00 0.41 0.00 0.00 41.25 38.98 1a55 s ASN 29 CO 0.00 -0.34 0.08 -0.54 -1.51 0.00 0.00 177.10 174.79 1a55 s LYS 30 N -1.60 4.01 -0.16 -0.60 1.02 -0.03 -3.28 119.74 119.10 1a55 s LYS 30 Ca 0.47 -0.32 -0.01 0.00 0.02 0.00 0.00 55.97 56.13 1a55 s LYS 30 Cb -0.36 -3.27 -0.01 0.00 -0.52 0.00 0.00 37.83 33.68 1a55 s LYS 30 CO 0.47 0.26 -0.12 0.08 -0.92 0.00 0.00 175.35 175.11 1a55 s VAL 31 N 0.42 2.95 -0.16 3.17 1.01 -1.26 -0.09 120.40 126.43 1a55 s VAL 31 Ca 0.04 -0.68 0.00 0.00 0.00 0.00 0.00 61.98 61.35 1a55 s VAL 31 Cb -0.12 -2.26 0.00 0.00 0.00 0.00 0.00 36.38 34.00 1a55 s VAL 31 CO 0.00 0.50 -0.16 0.21 0.00 0.00 0.00 175.10 175.65 1a55 s ASN 32 N 0.74 3.51 -0.09 3.32 3.04 -0.75 -4.92 114.94 119.79 1a55 s ASN 32 Ca -0.05 -0.53 0.04 0.00 0.04 0.00 0.00 52.86 52.36 1a55 s ASN 32 Cb -0.15 -1.54 -0.00 0.00 -1.54 0.00 0.00 41.25 38.01 1a55 s ASN 32 CO 0.01 0.05 -0.23 -0.47 -3.04 0.00 0.00 177.10 173.42 1a55 s TYR 33 N 1.00 2.56 -0.22 0.43 5.04 -1.26 -0.36 117.35 124.54 1a55 s TYR 33 Ca -0.02 -0.95 -0.03 0.00 -2.44 0.00 0.00 57.07 53.64 1a55 s TYR 33 Cb -0.15 -1.70 0.00 0.00 0.35 0.00 0.00 41.96 40.47 1a55 s TYR 33 CO -0.04 -0.36 -0.07 -0.65 -1.34 0.00 0.00 175.55 173.09 1a55 s GLN 34 N 0.23 3.24 -0.60 4.97 -0.21 -0.76 -4.99 119.66 121.54 1a55 s GLN 34 Ca -0.15 -0.70 -0.28 0.00 0.02 0.00 0.00 55.36 54.25 1a55 s GLN 34 Cb -0.17 -2.92 0.02 0.00 1.00 0.00 0.00 33.01 30.94 1a55 s GLN 34 CO 0.08 -0.22 1.35 0.20 -2.12 0.00 0.00 175.29 174.57 1a55 s GLY 35 N 1.43 0.92 0.00 3.09 0.00 -1.26 -1.03 107.32 110.47 1a55 s GLY 35 Ca 0.05 -0.85 0.00 0.00 0.00 0.00 0.00 44.72 43.92 1a55 s GLY 35 CO -0.05 2.72 0.49 0.29 0.00 0.00 0.00 173.10 176.55 1a55 n ILE 36 N 6.73 0.17 0.00 0.90 -5.35 -0.31 -4.90 119.36 116.60 1a55 n ILE 36 Ca 0.10 -0.20 0.00 0.00 -0.27 0.00 0.00 62.75 62.38 1a55 n ILE 36 Cb 0.49 1.10 0.00 0.00 -1.74 0.00 0.00 39.64 39.49 1a55 n ILE 36 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1a55 n GLY 37 N -0.09 -0.96 0.36 3.28 0.00 -0.70 -4.42 105.19 102.66 1a55 n GLY 37 Ca 0.00 -1.55 0.00 0.00 0.00 0.00 0.00 46.02 44.48 1a55 n GLY 37 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1a55 h SER 38 N 0.00 0.97 -0.61 1.61 0.02 -1.77 -3.02 113.55 110.75 1a55 h SER 38 Ca 0.00 -0.02 0.01 0.00 -0.84 0.00 0.00 61.79 60.94 1a55 h SER 38 Cb 0.00 -0.24 -0.03 0.00 0.14 0.00 0.00 62.40 62.27 1a55 h SER 38 CO 0.00 0.69 0.40 0.28 -1.14 0.00 0.00 176.83 177.07 1a55 h SER 39 N 1.14 0.70 -0.54 3.07 0.02 -1.86 -2.33 113.55 113.75 1a55 h SER 39 Ca 0.32 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 61.26 1a55 h SER 39 Cb -0.09 -0.17 -0.03 0.00 0.14 0.00 0.00 62.40 62.25 1a55 h SER 39 CO -0.08 0.51 0.35 1.23 -1.14 0.00 0.00 176.83 177.70 1a55 h GLY 40 N 0.83 0.77 0.72 -3.77 0.00 -1.74 -2.53 103.07 97.34 1a55 h GLY 40 Ca 0.23 -0.29 0.04 0.00 0.00 0.00 0.00 47.33 47.30 1a55 h GLY 40 CO -0.05 0.29 0.22 -1.33 0.00 0.00 0.00 176.54 175.67 1a55 h GLY 41 N 0.73 0.64 1.02 4.60 0.00 -1.41 -1.43 103.07 107.22 1a55 h GLY 41 Ca 0.20 -0.15 -0.04 0.00 0.00 0.00 0.00 47.33 47.34 1a55 h GLY 41 CO -0.04 0.09 0.26 -2.08 0.00 0.00 0.00 176.54 174.77 1a55 h VAL 42 N 0.44 1.24 -0.14 4.60 2.07 -1.35 -1.44 116.25 121.67 1a55 h VAL 42 Ca 0.21 -0.76 -0.02 0.00 0.82 0.00 0.00 66.70 66.94 1a55 h VAL 42 Cb 0.14 0.49 -0.01 0.00 -1.52 0.00 0.00 31.29 30.39 1a55 h VAL 42 CO -0.16 0.30 0.00 0.11 0.02 0.00 0.00 177.57 177.84 1a55 h LYS 43 N 0.95 0.25 -0.73 1.57 1.57 -1.09 -2.61 116.57 116.49 1a55 h LYS 43 Ca 0.22 -0.08 0.05 0.00 -1.87 0.00 0.00 60.65 58.97 1a55 h LYS 43 Cb 0.22 -0.02 -0.05 0.00 0.08 0.00 0.00 32.23 32.45 1a55 h LYS 43 CO -0.02 0.48 0.44 1.96 -0.57 0.00 0.00 179.45 181.74 1a55 h GLN 44 N -0.00 0.80 -0.30 3.15 1.08 -1.23 -0.86 115.11 117.76 1a55 h GLN 44 Ca 0.04 -0.05 -0.11 0.00 -1.45 0.00 0.00 58.65 57.08 1a55 h GLN 44 Cb 0.36 -0.18 -0.01 0.00 -0.05 0.00 0.00 27.48 27.60 1a55 h GLN 44 CO 0.01 0.53 -0.28 0.97 -0.95 0.00 0.00 178.83 179.11 1a55 h ILE 45 N 0.83 1.28 -0.54 2.54 6.09 -1.26 -0.89 117.51 125.54 1a55 h ILE 45 Ca 0.31 -1.37 -0.07 0.00 -1.37 0.00 0.00 64.86 62.37 1a55 h ILE 45 Cb 0.12 1.35 -0.02 0.00 0.47 0.00 0.00 36.82 38.74 1a55 h ILE 45 CO -0.15 0.44 0.06 0.40 -3.07 0.00 0.00 178.15 175.83 1a55 h ILE 46 N 0.52 1.26 0.00 2.19 2.04 -1.36 -1.69 117.51 120.46 1a55 h ILE 46 Ca 0.07 -1.01 0.00 0.00 1.00 0.00 0.00 64.86 64.92 1a55 h ILE 46 Cb 0.75 0.85 0.00 0.00 -0.74 0.00 0.00 36.82 37.67 1a55 h ILE 46 CO 0.06 0.36 0.00 0.00 0.00 0.00 0.00 178.15 178.57 1a55 h ALA 47 N 0.98 1.00 -2.23 1.87 0.00 -1.08 -3.47 119.26 116.33 1a55 h ALA 47 Ca 0.16 0.00 -0.17 0.00 0.00 0.00 0.00 54.91 54.91 1a55 h ALA 47 Cb 0.45 0.00 0.03 0.00 0.00 0.00 0.00 17.79 18.27 1a55 h ALA 47 CO 0.02 0.00 -0.25 0.09 0.00 0.00 0.00 179.25 179.10 1a55 n ASN 48 N -2.66 -3.46 -0.13 0.00 3.02 -0.40 -4.91 115.26 106.72 1a55 n ASN 48 Ca 0.02 -0.13 0.09 0.00 -0.03 0.00 0.00 54.58 54.54 1a55 n ASN 48 Cb 0.32 -2.33 -0.08 0.00 -0.61 0.00 0.00 39.78 37.08 1a55 n ASN 48 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 1a55 n THR 49 N -3.73 0.00 -4.51 3.41 -2.24 -0.86 -4.93 114.28 101.43 1a55 n THR 49 Ca -0.04 -0.11 -0.24 0.00 -2.27 0.00 0.00 64.05 61.39 1a55 n THR 49 Cb 0.55 1.07 -0.11 0.00 -2.10 0.00 0.00 70.33 69.74 1a55 n THR 49 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 1a55 s VAL 50 N -2.67 1.75 0.09 2.28 -7.23 -1.25 -5.06 120.40 108.31 1a55 s VAL 50 Ca 0.10 -2.08 0.13 0.00 -1.81 0.00 0.00 61.98 58.32 1a55 s VAL 50 Cb 0.15 -2.71 -0.02 0.00 0.56 0.00 0.00 36.38 34.36 1a55 s VAL 50 CO 0.71 -0.13 1.50 0.44 -0.31 0.00 0.00 175.10 177.31 1a55 h ASP 51 N 2.06 0.00 -4.61 4.85 3.32 -1.40 -3.45 116.42 117.19 1a55 h ASP 51 Ca -0.42 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 56.54 1a55 h ASP 51 Cb 1.24 0.00 -0.21 0.00 0.22 0.00 0.00 39.33 40.58 1a55 h ASP 51 CO 0.72 0.64 -0.10 0.72 -1.72 0.00 0.00 179.24 179.51 1a55 s PHE 52 N -3.18 -0.44 0.17 4.55 -0.12 -1.04 -4.76 117.98 113.15 1a55 s PHE 52 Ca 0.01 0.89 0.07 0.00 -0.05 0.00 0.00 56.93 57.85 1a55 s PHE 52 Cb 0.10 0.21 -0.04 0.00 -0.63 0.00 0.00 43.02 42.67 1a55 s PHE 52 CO 0.76 -0.40 0.01 0.20 -0.05 0.00 0.00 175.22 175.74 1a55 s GLY 53 N -0.72 1.74 -0.04 1.99 0.00 -0.34 -1.75 107.32 108.20 1a55 s GLY 53 Ca -0.08 -1.34 0.03 0.00 0.00 0.00 0.00 44.72 43.33 1a55 s GLY 53 CO 0.05 -1.35 -0.13 0.00 0.00 0.00 0.00 173.10 171.67 1a55 s ALA 54 N -1.71 1.17 -0.20 3.20 0.00 -0.03 -1.34 121.76 122.85 1a55 s ALA 54 Ca 0.28 -0.48 -0.15 0.00 0.00 0.00 0.00 51.96 51.61 1a55 s ALA 54 Cb -0.09 -0.43 0.06 0.00 0.00 0.00 0.00 23.12 22.66 1a55 s ALA 54 CO 0.19 0.19 0.51 0.45 0.00 0.00 0.00 175.76 177.09 1a55 s SER 55 N 0.21 -0.59 0.00 0.00 0.15 -0.35 -1.16 113.70 111.95 1a55 s SER 55 Ca -0.05 1.06 0.28 0.00 0.70 0.00 0.00 55.95 57.94 1a55 s SER 55 Cb -0.11 1.01 1.06 0.00 -1.71 0.00 0.00 66.02 66.28 1a55 s SER 55 CO 0.02 -0.19 1.75 0.47 1.20 0.00 0.00 173.24 176.48 1a55 n ASP 56 N 3.51 0.97 -4.43 5.45 8.00 -1.26 -1.35 116.55 127.43 1a55 n ASP 56 Ca -0.18 -1.03 -0.39 0.00 0.71 0.00 0.00 54.79 53.90 1a55 n ASP 56 Cb 0.56 0.03 -0.12 0.00 -0.02 0.00 0.00 41.12 41.58 1a55 n ASP 56 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1a55 s ALA 57 N -2.28 3.28 0.23 2.24 0.00 -1.26 -4.73 121.76 119.24 1a55 s ALA 57 Ca 0.32 -1.43 -0.30 0.00 0.00 0.00 0.00 51.96 50.56 1a55 s ALA 57 Cb 0.20 -2.41 -0.09 0.00 0.00 0.00 0.00 23.12 20.82 1a55 s ALA 57 CO 0.43 -0.96 1.30 -1.25 0.00 0.00 0.00 175.76 175.28 1a55 s PRO 58 N 1.61 4.40 0.67 0.00 0.04 -1.26 -5.01 135.00 135.44 1a55 s PRO 58 Ca 0.04 2.08 -0.13 0.00 0.04 0.00 0.00 61.00 63.03 1a55 s PRO 58 Cb -0.17 -3.17 -0.00 0.00 0.04 0.00 0.00 34.50 31.20 1a55 s PRO 58 CO 0.06 -0.22 1.07 -0.51 0.04 0.00 0.00 177.00 177.45 1a55 s LEU 59 N -0.50 3.28 0.50 -3.56 1.43 -1.26 -5.06 118.68 113.51 1a55 s LEU 59 Ca 0.55 1.76 -0.15 0.00 -1.03 0.00 0.00 54.13 55.26 1a55 s LEU 59 Cb -0.37 -4.52 -0.07 0.00 0.03 0.00 0.00 46.19 41.26 1a55 s LEU 59 CO 0.41 -1.45 0.93 -0.94 0.23 0.00 0.00 176.35 175.53 1a55 s SER 60 N -3.22 6.57 0.27 2.29 1.04 -1.26 -4.86 113.70 114.53 1a55 s SER 60 Ca 0.62 1.45 -0.07 0.00 0.48 0.00 0.00 55.95 58.43 1a55 s SER 60 Cb -0.16 -2.46 0.49 0.00 0.10 0.00 0.00 66.02 63.99 1a55 s SER 60 CO 0.47 -0.56 1.58 0.44 0.98 0.00 0.00 173.24 176.14 1a55 h ASP 61 N 0.91 -0.75 0.08 7.02 3.32 -1.99 -0.24 116.42 124.77 1a55 h ASP 61 Ca -0.47 0.28 0.01 0.00 0.02 0.00 0.00 57.03 56.87 1a55 h ASP 61 Cb 1.19 0.55 -0.02 0.00 0.22 0.00 0.00 39.33 41.26 1a55 h ASP 61 CO 0.62 -0.31 -0.16 -0.08 -1.72 0.00 0.00 179.24 177.59 1a55 h GLU 62 N 0.01 -0.30 -0.57 3.56 4.81 -1.99 -0.89 114.58 119.22 1a55 h GLU 62 Ca 0.48 0.02 0.03 0.00 -0.13 0.00 0.00 59.36 59.75 1a55 h GLU 62 Cb 0.80 0.07 -0.04 0.00 0.63 0.00 0.00 28.75 30.21 1a55 h GLU 62 CO -0.94 -0.20 0.34 -0.22 -0.73 0.00 0.00 179.01 177.27 1a55 h LYS 63 N -0.31 0.66 -0.76 1.92 1.63 -1.58 0.33 116.57 118.46 1a55 h LYS 63 Ca 0.03 -0.04 -0.03 0.00 -0.85 0.00 0.00 60.65 59.76 1a55 h LYS 63 Cb 0.34 -0.15 -0.03 0.00 -0.60 0.00 0.00 32.23 31.78 1a55 h LYS 63 CO -0.10 0.44 0.35 -0.07 -3.45 0.00 0.00 179.45 176.61 1a55 h LEU 64 N 0.68 1.01 -0.52 5.20 3.38 -0.90 -2.24 115.31 121.91 1a55 h LEU 64 Ca 0.23 -0.15 -0.14 0.00 0.09 0.00 0.00 57.88 57.91 1a55 h LEU 64 Cb 0.02 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.50 1a55 h LEU 64 CO -0.10 0.87 -0.33 0.00 0.09 0.00 0.00 178.44 178.98 1a55 h ALA 65 N 1.17 0.71 -0.71 1.53 0.00 -0.71 0.16 119.26 121.41 1a55 h ALA 65 Ca 0.26 -0.43 -0.07 0.00 0.00 0.00 0.00 54.91 54.68 1a55 h ALA 65 Cb 0.15 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 1a55 h ALA 65 CO -0.03 0.66 0.19 1.96 0.00 0.00 0.00 179.25 182.04 1a55 h GLN 66 N 0.71 1.13 -0.02 0.00 4.20 -0.09 -3.17 115.11 117.87 1a55 h GLN 66 Ca 0.07 -0.26 0.00 0.00 0.06 0.00 0.00 58.65 58.52 1a55 h GLN 66 Cb 0.89 -0.15 0.00 0.00 0.30 0.00 0.00 27.48 28.51 1a55 h GLN 66 CO 0.08 0.99 -0.09 0.39 -0.67 0.00 0.00 178.83 179.52 1a55 n GLU 67 N -4.25 1.79 -2.73 1.46 -0.58 -0.87 -5.00 120.64 110.46 1a55 n GLU 67 Ca 0.05 -1.32 -0.10 0.00 -0.42 0.00 0.00 57.16 55.38 1a55 n GLU 67 Cb 0.25 -1.47 0.02 0.00 -0.57 0.00 0.00 31.44 29.67 1a55 n GLU 67 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1a55 n GLY 68 N 1.30 0.25 3.50 0.62 0.00 -0.44 -4.97 105.19 105.44 1a55 n GLY 68 Ca 0.15 -0.36 -0.31 0.00 0.00 0.00 0.00 46.02 45.51 1a55 n GLY 68 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1a55 s LEU 69 N -3.29 2.75 -0.02 0.99 1.43 0.45 -0.89 118.68 120.10 1a55 s LEU 69 Ca 0.18 -0.41 0.08 0.00 -1.03 0.00 0.00 54.13 52.94 1a55 s LEU 69 Cb -0.08 -1.60 -0.02 0.00 0.03 0.00 0.00 46.19 44.52 1a55 s LEU 69 CO 0.22 0.23 -0.25 0.12 0.23 0.00 0.00 176.35 176.90 1a55 s PHE 70 N -1.01 2.29 -0.02 0.29 5.36 0.13 -4.56 117.98 120.45 1a55 s PHE 70 Ca 0.16 -0.45 0.08 0.00 -0.96 0.00 0.00 56.93 55.76 1a55 s PHE 70 Cb -0.11 -1.48 -0.02 0.00 -0.34 0.00 0.00 43.02 41.08 1a55 s PHE 70 CO 0.08 -0.05 -0.26 -1.14 -1.46 0.00 0.00 175.22 172.39 1a55 s GLN 71 N -0.57 2.14 -0.09 10.12 0.74 -1.26 -1.06 119.66 129.68 1a55 s GLN 71 Ca 0.09 -0.92 -0.11 0.00 0.05 0.00 0.00 55.36 54.47 1a55 s GLN 71 Cb -0.10 -2.03 0.03 0.00 1.10 0.00 0.00 33.01 32.00 1a55 s GLN 71 CO -0.01 0.53 0.29 -0.59 -0.55 0.00 0.00 175.29 174.97 1a55 s PHE 72 N -0.54 -0.28 0.52 1.67 -0.71 0.44 -4.94 117.98 114.14 1a55 s PHE 72 Ca 0.08 0.66 -0.20 0.00 -1.04 0.00 0.00 56.93 56.43 1a55 s PHE 72 Cb -0.10 0.10 -0.07 0.00 -1.21 0.00 0.00 43.02 41.74 1a55 s PHE 72 CO -0.00 -0.21 1.11 -1.25 -1.34 0.00 0.00 175.22 173.53 1a55 s PRO 73 N -0.19 3.50 0.02 1.99 0.04 -1.26 -0.87 135.00 138.23 1a55 s PRO 73 Ca -0.03 1.56 -0.03 0.00 0.04 0.00 0.00 61.00 62.54 1a55 s PRO 73 Cb -0.03 -2.06 -0.01 0.00 0.04 0.00 0.00 34.50 32.44 1a55 s PRO 73 CO 0.01 -0.72 -0.06 0.25 0.04 0.00 0.00 177.00 176.52 1a55 n THR 74 N -1.15 0.91 -4.17 1.26 -2.24 -0.04 -4.92 114.28 103.93 1a55 n THR 74 Ca 0.11 0.21 -0.11 0.00 -2.27 0.00 0.00 64.05 61.98 1a55 n THR 74 Cb 0.51 -1.66 -0.10 0.00 -2.10 0.00 0.00 70.33 66.98 1a55 n THR 74 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 1a55 s VAL 75 N -2.13 0.03 -0.14 2.28 -7.23 -1.26 -4.37 120.40 107.57 1a55 s VAL 75 Ca -0.05 -1.94 0.00 0.00 -1.81 0.00 0.00 61.98 58.18 1a55 s VAL 75 Cb 0.01 -2.37 -0.01 0.00 0.56 0.00 0.00 36.38 34.58 1a55 s VAL 75 CO 0.08 -0.12 -0.15 -0.63 -0.31 0.00 0.00 175.10 173.97 1a55 s ILE 76 N -4.12 2.78 0.08 -0.62 1.01 -0.71 -2.67 121.20 116.95 1a55 s ILE 76 Ca 0.34 -0.74 0.01 0.00 0.00 0.00 0.00 60.65 60.26 1a55 s ILE 76 Cb 0.07 -2.17 -0.00 0.00 0.01 0.00 0.00 42.46 40.37 1a55 s ILE 76 CO 0.09 0.52 0.02 0.61 0.00 0.00 0.00 174.94 176.19 1a55 n GLY 77 N 3.80 3.96 3.05 6.18 0.00 0.40 -1.32 105.19 121.27 1a55 n GLY 77 Ca -0.19 -1.99 -0.12 0.00 0.00 0.00 0.00 46.02 43.72 1a55 n GLY 77 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1a55 s GLY 78 N -1.48 -0.01 -0.11 -0.02 0.00 -1.26 -2.00 107.32 102.44 1a55 s GLY 78 Ca 0.03 0.08 -0.04 0.00 0.00 0.00 0.00 44.72 44.80 1a55 s GLY 78 CO 0.02 -0.00 0.03 0.14 0.00 0.00 0.00 173.10 173.29 1a55 s VAL 79 N -0.66 4.59 0.42 1.40 1.01 0.54 -0.87 120.40 126.83 1a55 s VAL 79 Ca -0.07 -0.13 0.06 0.00 0.00 0.00 0.00 61.98 61.83 1a55 s VAL 79 Cb -0.04 -2.97 -0.07 0.00 0.00 0.00 0.00 36.38 33.30 1a55 s VAL 79 CO 0.01 0.58 0.02 0.68 0.00 0.00 0.00 175.10 176.39 1a55 s VAL 80 N -0.69 1.76 -0.48 2.92 -7.23 0.19 -4.71 120.40 112.16 1a55 s VAL 80 Ca 0.11 -2.00 -0.11 0.00 -1.81 0.00 0.00 61.98 58.17 1a55 s VAL 80 Cb -0.12 -2.84 0.11 0.00 0.56 0.00 0.00 36.38 34.10 1a55 s VAL 80 CO 0.02 0.00 0.37 -0.76 -0.31 0.00 0.00 175.10 174.43 1a55 s LEU 81 N -3.71 5.75 0.10 1.32 2.01 -1.26 -1.29 118.68 121.60 1a55 s LEU 81 Ca 0.30 -1.80 -0.30 0.00 0.01 0.00 0.00 54.13 52.34 1a55 s LEU 81 Cb 0.08 -2.06 -0.06 0.00 0.01 0.00 0.00 46.19 44.16 1a55 s LEU 81 CO 0.15 -0.71 1.00 0.00 1.01 0.00 0.00 176.35 177.80 1a55 s ALA 82 N 1.44 3.25 0.07 4.21 0.00 -0.01 -2.52 121.76 128.20 1a55 s ALA 82 Ca 0.05 0.62 0.06 0.00 0.00 0.00 0.00 51.96 52.68 1a55 s ALA 82 Cb -0.27 -3.31 -0.03 0.00 0.00 0.00 0.00 23.12 19.52 1a55 s ALA 82 CO 0.01 -0.11 -0.15 0.14 0.00 0.00 0.00 175.76 175.64 1a55 s VAL 83 N 0.21 1.22 -0.66 0.00 -7.23 -0.87 -1.23 120.40 111.84 1a55 s VAL 83 Ca 0.49 -1.27 0.05 0.00 -1.81 0.00 0.00 61.98 59.44 1a55 s VAL 83 Cb -0.24 -1.14 0.17 0.00 0.56 0.00 0.00 36.38 35.73 1a55 s VAL 83 CO 0.30 -0.13 0.46 0.21 -0.31 0.00 0.00 175.10 175.63 1a55 s ASN 84 N -1.61 4.41 -0.41 4.85 3.84 -0.22 -3.90 114.94 121.91 1a55 s ASN 84 Ca 0.00 -3.72 -0.05 0.00 0.21 0.00 0.00 52.86 49.30 1a55 s ASN 84 Cb -0.09 -1.49 0.09 0.00 -0.55 0.00 0.00 41.25 39.21 1a55 s ASN 84 CO 0.02 -0.10 0.21 -0.63 -2.79 0.00 0.00 177.10 173.81 1a55 s ILE 85 N -1.21 3.66 -0.26 -5.21 1.01 -1.26 0.17 121.20 118.09 1a55 s ILE 85 Ca 0.25 -1.73 -0.34 0.00 0.00 0.00 0.00 60.65 58.84 1a55 s ILE 85 Cb -0.05 -3.35 -0.10 0.00 0.01 0.00 0.00 42.46 38.96 1a55 s ILE 85 CO -0.16 -0.57 2.10 -2.65 0.00 0.00 0.00 174.94 173.66 1a55 n PRO 86 N 4.74 1.53 -0.07 2.79 -0.03 -1.26 -0.79 135.00 141.90 1a55 n PRO 86 Ca -0.07 0.47 0.00 0.00 -0.03 0.00 0.00 63.50 63.87 1a55 n PRO 86 Cb 0.42 -2.65 0.00 0.00 -0.03 0.00 0.00 33.50 31.24 1a55 n PRO 86 CO 0.00 0.00 0.00 0.41 -0.03 0.00 0.00 175.50 175.88 1a55 n GLY 87 N 5.74 0.81 3.46 -1.23 0.00 -1.26 -4.92 105.19 107.79 1a55 n GLY 87 Ca 0.34 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 46.03 1a55 n GLY 87 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1a55 s LEU 88 N 0.00 2.76 0.72 0.99 2.01 0.03 -5.10 118.68 120.09 1a55 s LEU 88 Ca 0.00 -0.22 -0.06 0.00 0.01 0.00 0.00 54.13 53.87 1a55 s LEU 88 Cb 0.00 -1.58 0.08 0.00 0.01 0.00 0.00 46.19 44.70 1a55 s LEU 88 CO 0.00 0.30 1.01 -0.54 1.01 0.00 0.00 176.35 178.13 1a55 s LYS 89 N -0.44 1.98 -0.09 1.70 -0.14 -1.26 -4.83 119.74 116.65 1a55 s LYS 89 Ca 0.05 -0.49 -0.30 0.00 -1.36 0.00 0.00 55.97 53.88 1a55 s LYS 89 Cb -0.12 -2.20 -0.03 0.00 -1.68 0.00 0.00 37.83 33.80 1a55 s LYS 89 CO 0.02 -1.34 1.32 0.45 -0.76 0.00 0.00 175.35 175.04 1a55 s SER 90 N -4.58 6.92 0.00 2.83 0.15 -1.26 -3.13 113.70 114.63 1a55 s SER 90 Ca 0.62 1.86 0.00 0.00 0.70 0.00 0.00 55.95 59.14 1a55 s SER 90 Cb -0.09 -2.55 0.00 0.00 -1.71 0.00 0.00 66.02 61.67 1a55 s SER 90 CO 0.45 -0.72 0.00 0.61 1.20 0.00 0.00 173.24 174.77 1a55 n GLY 91 N 3.61 0.75 0.08 9.45 0.00 0.01 -4.92 105.19 114.18 1a55 n GLY 91 Ca 0.13 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.14 1a55 n GLY 91 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1a55 n GLU 92 N -2.22 0.64 -3.24 1.61 1.02 -1.18 -4.67 120.64 112.60 1a55 n GLU 92 Ca 0.00 0.11 -0.35 0.00 -0.02 0.00 0.00 57.16 56.90 1a55 n GLU 92 Cb 0.00 -1.70 -0.06 0.00 -0.02 0.00 0.00 31.44 29.67 1a55 n GLU 92 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 1a55 s LEU 93 N -5.54 4.29 -0.15 -4.62 2.96 -1.26 -4.99 118.68 109.38 1a55 s LEU 93 Ca -0.05 1.22 0.02 0.00 -0.22 0.00 0.00 54.13 55.10 1a55 s LEU 93 Cb 0.09 -3.52 0.01 0.00 0.50 0.00 0.00 46.19 43.27 1a55 s LEU 93 CO 0.83 0.02 -0.22 -0.69 -1.32 0.00 0.00 176.35 174.98 1a55 s VAL 94 N -1.58 2.08 0.26 1.68 1.01 -1.26 -0.99 120.40 121.60 1a55 s VAL 94 Ca 0.42 -0.97 0.11 0.00 0.00 0.00 0.00 61.98 61.54 1a55 s VAL 94 Cb -0.15 -1.84 -0.05 0.00 0.00 0.00 0.00 36.38 34.35 1a55 s VAL 94 CO 0.20 0.55 -0.12 -0.76 0.00 0.00 0.00 175.10 174.97 1a55 s LEU 95 N 0.88 2.85 0.33 3.92 1.43 -0.77 -4.71 118.68 122.60 1a55 s LEU 95 Ca -0.05 -0.83 0.08 0.00 -1.03 0.00 0.00 54.13 52.30 1a55 s LEU 95 Cb -0.15 -1.39 -0.04 0.00 0.03 0.00 0.00 46.19 44.64 1a55 s LEU 95 CO -0.03 0.04 0.14 1.51 0.23 0.00 0.00 176.35 178.23 1a55 s ASP 96 N -3.46 4.70 0.28 2.29 -4.77 -1.26 -2.34 116.67 112.11 1a55 s ASP 96 Ca 0.30 -0.75 -0.03 0.00 -3.30 0.00 0.00 52.55 48.77 1a55 s ASP 96 Cb -0.06 -0.75 0.38 0.00 -1.09 0.00 0.00 42.92 41.39 1a55 s ASP 96 CO 0.17 -0.27 1.92 1.23 0.70 0.00 0.00 175.17 178.91 1a55 h GLY 97 N 1.56 1.16 1.29 2.12 0.00 -1.91 -0.65 103.07 106.64 1a55 h GLY 97 Ca -0.44 -0.49 -0.12 0.00 0.00 0.00 0.00 47.33 46.28 1a55 h GLY 97 CO 0.63 0.48 -0.22 1.70 0.00 0.00 0.00 176.54 179.12 1a55 h LYS 98 N 1.10 0.82 -0.27 4.80 1.63 -1.97 -0.97 116.57 121.70 1a55 h LYS 98 Ca 0.28 -0.33 -0.16 0.00 -0.85 0.00 0.00 60.65 59.58 1a55 h LYS 98 Cb -0.01 -0.03 -0.00 0.00 -0.60 0.00 0.00 32.23 31.58 1a55 h LYS 98 CO -0.05 0.96 -0.49 1.15 -3.45 0.00 0.00 179.45 177.57 1a55 h THR 99 N 0.71 1.29 0.01 1.00 2.02 -1.85 -1.73 112.91 114.35 1a55 h THR 99 Ca 0.10 -1.69 -0.00 0.00 0.77 0.00 0.00 66.41 65.59 1a55 h THR 99 Cb 0.75 1.60 0.00 0.00 -1.74 0.00 0.00 68.15 68.76 1a55 h THR 99 CO 0.06 0.54 -0.00 0.25 0.37 0.00 0.00 175.52 176.74 1a55 h LEU 100 N 0.59 -0.01 -0.70 2.58 5.85 -1.01 -2.48 115.31 120.12 1a55 h LEU 100 Ca 0.03 -0.23 0.13 0.00 0.84 0.00 0.00 57.88 58.64 1a55 h LEU 100 Cb 1.06 0.00 -0.09 0.00 0.37 0.00 0.00 40.66 42.00 1a55 h LEU 100 CO 0.10 0.23 0.25 1.23 -0.34 0.00 0.00 178.44 179.91 1a55 h GLY 101 N -0.25 1.01 2.00 3.75 0.00 -0.97 -2.20 103.07 106.42 1a55 h GLY 101 Ca -0.00 -0.11 0.00 0.00 0.00 0.00 0.00 47.33 47.22 1a55 h GLY 101 CO 0.00 -0.09 0.00 -0.55 0.00 0.00 0.00 176.54 175.90 1a55 h ASP 102 N 0.39 0.00 -0.04 0.19 3.32 -0.94 -1.22 116.42 118.12 1a55 h ASP 102 Ca 0.38 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 57.35 1a55 h ASP 102 Cb 0.56 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.11 1a55 h ASP 102 CO -0.39 0.00 -0.28 0.40 -1.72 0.00 0.00 179.24 177.25 1a55 h ILE 103 N 0.00 1.47 0.00 0.35 2.04 -0.98 0.20 117.51 120.58 1a55 h ILE 103 Ca 0.00 -1.77 0.00 0.00 1.00 0.00 0.00 64.86 64.09 1a55 h ILE 103 Cb 0.51 2.47 0.00 0.00 -0.74 0.00 0.00 36.82 39.07 1a55 h ILE 103 CO 0.00 0.50 0.00 1.88 0.00 0.00 0.00 178.15 180.53 1a55 h TYR 104 N -0.30 0.00 0.00 1.37 -1.99 -1.11 -2.79 116.97 112.16 1a55 h TYR 104 Ca -0.02 0.00 -0.03 0.00 2.00 0.00 0.00 58.73 60.67 1a55 h TYR 104 Cb 0.96 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.68 1a55 h TYR 104 CO 0.15 0.00 -0.34 -0.07 -0.00 0.00 0.00 178.16 177.90 1a55 h LEU 105 N 0.00 0.00 0.00 3.88 3.38 -1.29 -3.38 115.31 117.90 1a55 h LEU 105 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1a55 h LEU 105 Cb 0.71 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.46 1a55 h LEU 105 CO 0.00 0.15 0.00 0.61 0.09 0.00 0.00 178.44 179.29 1a55 n GLY 106 N 1.16 0.88 0.18 0.83 0.00 -1.05 -4.71 105.19 102.47 1a55 n GLY 106 Ca 0.02 -0.06 -0.21 0.00 0.00 0.00 0.00 46.02 45.77 1a55 n GLY 106 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1a55 h LYS 107 N 2.51 0.63 -5.18 1.61 1.57 -0.85 -3.42 116.57 113.45 1a55 h LYS 107 Ca 0.00 -0.76 -0.62 0.00 -1.87 0.00 0.00 60.65 57.40 1a55 h LYS 107 Cb 0.00 0.23 -0.15 0.00 0.08 0.00 0.00 32.23 32.40 1a55 h LYS 107 CO 0.00 1.33 -0.52 0.42 -0.57 0.00 0.00 179.45 180.11 1a55 s ILE 108 N -3.13 5.15 -0.03 1.86 1.01 -0.86 -4.99 121.20 120.21 1a55 s ILE 108 Ca -0.10 0.10 0.05 0.00 0.00 0.00 0.00 60.65 60.70 1a55 s ILE 108 Cb 0.06 -3.37 -0.07 0.00 0.01 0.00 0.00 42.46 39.09 1a55 s ILE 108 CO 0.92 0.40 0.07 0.29 0.00 0.00 0.00 174.94 176.62 1a55 n LYS 109 N 3.93 1.63 -4.31 2.79 5.02 -1.26 -4.62 118.16 121.34 1a55 n LYS 109 Ca -0.16 -0.03 -0.28 0.00 -2.02 0.00 0.00 58.31 55.83 1a55 n LYS 109 Cb 0.52 -1.13 -0.11 0.00 -0.02 0.00 0.00 35.03 34.30 1a55 n LYS 109 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1a55 s LYS 110 N -2.25 1.86 0.36 1.97 1.02 -1.26 -1.24 119.74 120.21 1a55 s LYS 110 Ca -0.02 -1.26 0.19 0.00 0.02 0.00 0.00 55.97 54.90 1a55 s LYS 110 Cb 0.02 -2.10 0.57 0.00 -0.52 0.00 0.00 37.83 35.80 1a55 s LYS 110 CO 0.21 0.45 1.68 -1.49 -0.92 0.00 0.00 175.35 175.28 1a55 h TRP 111 N 3.33 0.00 -0.40 3.18 4.06 -1.52 -2.92 115.95 121.68 1a55 h TRP 111 Ca -0.48 0.00 -0.03 0.00 2.06 0.00 0.00 58.89 60.44 1a55 h TRP 111 Cb 1.19 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 29.33 1a55 h TRP 111 CO 0.63 0.39 0.04 -0.40 -3.56 0.00 0.00 178.44 175.54 1a55 n ASP 112 N -3.44 4.03 -4.69 -3.49 5.75 -0.23 -4.72 116.55 109.76 1a55 n ASP 112 Ca 0.00 -2.64 -0.40 0.00 -0.01 0.00 0.00 54.79 51.74 1a55 n ASP 112 Cb 0.55 -0.63 0.02 0.00 -1.03 0.00 0.00 41.12 40.03 1a55 n ASP 112 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 1a55 n ASP 113 N 0.32 2.32 -0.31 -1.12 -0.08 -1.11 -4.78 116.55 111.79 1a55 n ASP 113 Ca 0.20 1.06 0.16 0.00 -1.51 0.00 0.00 54.79 54.70 1a55 n ASP 113 Cb 0.90 -1.49 0.35 0.00 2.34 0.00 0.00 41.12 43.22 1a55 n ASP 113 CO 0.00 0.00 0.00 -0.08 0.12 0.00 0.00 177.20 177.24 1a55 h GLU 114 N 1.81 0.31 0.00 -0.67 4.81 -1.92 0.37 114.58 119.28 1a55 h GLU 114 Ca -0.48 -0.02 -0.09 0.00 -0.13 0.00 0.00 59.36 58.64 1a55 h GLU 114 Cb 1.30 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 30.60 1a55 h GLU 114 CO 0.58 0.20 -0.41 0.00 -0.73 0.00 0.00 179.01 178.66 1a55 h ALA 115 N 1.78 1.21 0.10 2.92 0.00 -1.98 -2.59 119.26 120.71 1a55 h ALA 115 Ca 0.61 -0.37 -0.32 0.00 0.00 0.00 0.00 54.91 54.83 1a55 h ALA 115 Cb 1.26 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.97 1a55 h ALA 115 CO -0.60 0.51 -1.69 0.82 0.00 0.00 0.00 179.25 178.29 1a55 h ILE 116 N 0.00 0.95 -0.16 0.00 2.04 -0.61 -3.32 117.51 116.42 1a55 h ILE 116 Ca -0.00 -2.65 -0.13 0.00 1.00 0.00 0.00 64.86 63.07 1a55 h ILE 116 Cb 0.78 2.64 -0.01 0.00 -0.74 0.00 0.00 36.82 39.48 1a55 h ILE 116 CO 0.05 0.78 -0.47 0.00 0.00 0.00 0.00 178.15 178.51 1a55 h ALA 117 N 0.46 0.90 -0.03 1.87 0.00 -1.33 -3.03 119.26 118.11 1a55 h ALA 117 Ca -0.30 -0.46 -0.08 0.00 0.00 0.00 0.00 54.91 54.07 1a55 h ALA 117 Cb 2.02 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.71 1a55 h ALA 117 CO 0.13 0.65 -0.34 -0.22 0.00 0.00 0.00 179.25 179.47 1a55 h LYS 118 N 0.33 0.05 0.00 0.00 3.64 -1.61 -2.96 116.57 116.01 1a55 h LYS 118 Ca 0.02 -0.02 -0.09 0.00 -1.27 0.00 0.00 60.65 59.30 1a55 h LYS 118 Cb 0.95 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.76 1a55 h LYS 118 CO 0.08 0.39 -0.41 -0.07 -2.27 0.00 0.00 179.45 177.17 1a55 h LEU 119 N 0.04 0.00 -6.52 5.20 3.38 -1.63 -3.39 115.31 112.40 1a55 h LEU 119 Ca 0.00 0.00 -0.60 0.00 0.09 0.00 0.00 57.88 57.38 1a55 h LEU 119 Cb 0.63 0.00 -0.40 0.00 0.09 0.00 0.00 40.66 40.98 1a55 h LEU 119 CO 0.05 0.41 -0.82 0.59 0.09 0.00 0.00 178.44 178.76 1a55 n ASN 120 N -3.27 1.29 -0.27 -0.43 3.02 -1.12 -4.80 115.26 109.68 1a55 n ASN 120 Ca 0.02 -2.83 0.01 0.00 -0.03 0.00 0.00 54.58 51.75 1a55 n ASN 120 Cb 0.65 -0.65 0.14 0.00 -0.61 0.00 0.00 39.78 39.31 1a55 n ASN 120 CO 0.00 0.00 0.00 -0.65 -2.62 0.00 0.00 177.26 173.99 1a55 h PRO 121 N 5.11 0.72 -0.42 3.52 0.11 -1.76 -3.00 132.00 136.28 1a55 h PRO 121 Ca 0.19 -0.04 -0.15 0.00 0.11 0.00 0.00 66.00 66.11 1a55 h PRO 121 Cb 0.82 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 31.76 1a55 h PRO 121 CO 0.56 0.48 -0.32 0.78 -0.21 0.00 0.00 178.00 179.29 1a55 h GLY 122 N 0.74 1.04 -2.59 -0.55 0.00 -1.95 -3.47 103.07 96.30 1a55 h GLY 122 Ca 0.35 -1.01 -0.55 0.00 0.00 0.00 0.00 47.33 46.13 1a55 h GLY 122 CO -0.22 0.91 0.58 1.08 0.00 0.00 0.00 176.54 178.89 1a55 s LEU 123 N -8.96 3.77 -0.71 3.11 1.43 -1.13 -5.01 118.68 111.19 1a55 s LEU 123 Ca -0.11 2.73 -0.07 0.00 -1.03 0.00 0.00 54.13 55.65 1a55 s LEU 123 Cb 0.12 -4.37 0.18 0.00 0.03 0.00 0.00 46.19 42.15 1a55 s LEU 123 CO 0.88 -1.69 0.57 -0.54 0.23 0.00 0.00 176.35 175.79 1a55 s LYS 124 N -3.04 2.96 0.16 1.70 -0.14 -1.26 -5.05 119.74 115.07 1a55 s LYS 124 Ca 0.75 -2.53 -0.30 0.00 -1.36 0.00 0.00 55.97 52.53 1a55 s LYS 124 Cb -0.40 -3.99 -0.07 0.00 -1.68 0.00 0.00 37.83 31.69 1a55 s LYS 124 CO 0.46 -1.22 0.94 -0.51 -0.76 0.00 0.00 175.35 174.26 1a55 s LEU 125 N -0.01 4.56 0.94 3.17 2.01 -1.26 -5.05 118.68 123.04 1a55 s LEU 125 Ca 0.18 1.85 -0.13 0.00 0.01 0.00 0.00 54.13 56.03 1a55 s LEU 125 Cb -0.16 -3.58 0.16 0.00 0.01 0.00 0.00 46.19 42.61 1a55 s LEU 125 CO -0.05 0.04 1.14 -2.16 1.01 0.00 0.00 176.35 176.32 1a55 s PRO 126 N -0.52 0.90 -0.71 1.29 0.04 -1.26 -4.61 135.00 130.13 1a55 s PRO 126 Ca 0.44 0.24 0.03 0.00 0.04 0.00 0.00 61.00 61.75 1a55 s PRO 126 Cb -0.24 -1.82 0.35 0.00 0.04 0.00 0.00 34.50 32.83 1a55 s PRO 126 CO 0.30 -2.35 1.33 -1.13 0.04 0.00 0.00 177.00 175.20 1a55 n SER 127 N -3.86 5.64 -4.66 6.66 3.41 -1.26 -1.07 113.62 118.48 1a55 n SER 127 Ca 0.07 -3.71 -0.35 0.00 -0.26 0.00 0.00 58.87 54.63 1a55 n SER 127 Cb 0.59 -0.76 -0.10 0.00 -0.26 0.00 0.00 64.21 63.68 1a55 n SER 127 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 175.04 173.30 1a55 s GLN 128 N -3.79 2.95 0.52 4.33 2.00 -1.26 -4.94 119.66 119.48 1a55 s GLN 128 Ca 0.46 -0.44 -0.20 0.00 -2.00 0.00 0.00 55.36 53.19 1a55 s GLN 128 Cb 0.29 -2.76 -0.07 0.00 0.80 0.00 0.00 33.01 31.28 1a55 s GLN 128 CO -0.18 0.68 1.11 -0.80 -0.50 0.00 0.00 175.29 175.61 1a55 s ASN 129 N -0.83 5.91 -0.04 6.67 0.01 -1.26 -1.81 114.94 123.58 1a55 s ASN 129 Ca 0.13 2.14 -0.30 0.00 -0.71 0.00 0.00 52.86 54.12 1a55 s ASN 129 Cb -0.11 -2.58 -0.02 0.00 0.41 0.00 0.00 41.25 38.94 1a55 s ASN 129 CO 0.02 -1.09 1.00 -0.63 -1.51 0.00 0.00 177.10 174.90 1a55 s ILE 130 N -1.78 4.79 -0.40 0.60 1.01 -0.37 -4.54 121.20 120.51 1a55 s ILE 130 Ca 0.70 2.02 -0.02 0.00 0.00 0.00 0.00 60.65 63.36 1a55 s ILE 130 Cb -0.23 -4.30 0.10 0.00 0.01 0.00 0.00 42.46 38.05 1a55 s ILE 130 CO 0.26 0.09 0.18 0.00 0.00 0.00 0.00 174.94 175.47 1a55 s ALA 131 N 1.45 3.12 0.12 9.38 0.00 -0.89 -4.95 121.76 129.98 1a55 s ALA 131 Ca 0.51 -2.48 -0.30 0.00 0.00 0.00 0.00 51.96 49.69 1a55 s ALA 131 Cb -0.20 -2.35 -0.06 0.00 0.00 0.00 0.00 23.12 20.50 1a55 s ALA 131 CO 0.24 -1.76 1.11 0.08 0.00 0.00 0.00 175.76 175.43 1a55 s VAL 132 N 1.13 4.07 0.01 0.00 1.01 -1.26 -2.41 120.40 122.94 1a55 s VAL 132 Ca 0.07 1.64 0.06 0.00 0.00 0.00 0.00 61.98 63.75 1a55 s VAL 132 Cb -0.22 -4.05 -0.03 0.00 0.00 0.00 0.00 36.38 32.08 1a55 s VAL 132 CO -0.04 0.21 -0.16 -0.69 0.00 0.00 0.00 175.10 174.42 1a55 s VAL 133 N 0.34 2.94 0.19 2.92 1.01 0.25 -1.76 120.40 126.29 1a55 s VAL 133 Ca 0.53 -0.99 -0.11 0.00 0.00 0.00 0.00 61.98 61.40 1a55 s VAL 133 Cb -0.28 -2.21 -0.00 0.00 0.00 0.00 0.00 36.38 33.89 1a55 s VAL 133 CO 0.32 0.43 0.38 0.00 0.00 0.00 0.00 175.10 176.23 1a55 s ARG 134 N -1.18 1.30 0.37 2.72 1.04 -0.03 -4.29 118.95 118.88 1a55 s ARG 134 Ca 0.14 -1.15 -0.26 0.00 -1.04 0.00 0.00 55.73 53.42 1a55 s ARG 134 Cb -0.11 0.43 -0.09 0.00 -2.04 0.00 0.00 34.95 33.14 1a55 s ARG 134 CO 0.04 -0.51 1.10 1.03 -0.04 0.00 0.00 175.30 176.92 1a55 s ARG 135 N -3.97 4.23 0.06 3.89 1.81 -1.26 -0.69 118.95 123.03 1a55 s ARG 135 Ca 0.18 1.69 0.23 0.00 -1.72 0.00 0.00 55.73 56.11 1a55 s ARG 135 Cb 0.02 -2.74 0.00 0.00 -0.45 0.00 0.00 34.95 31.78 1a55 s ARG 135 CO 0.02 -0.12 0.98 0.00 -0.68 0.00 0.00 175.30 175.50 1a55 n ALA 136 N 0.27 3.25 -2.61 2.13 0.00 -0.85 -4.79 120.51 117.91 1a55 n ALA 136 Ca 0.03 -0.40 -0.29 0.00 0.00 0.00 0.00 53.44 52.78 1a55 n ALA 136 Cb 0.47 -0.97 -0.09 0.00 0.00 0.00 0.00 19.45 18.87 1a55 n ALA 136 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 1a55 s ASP 137 N -4.15 4.59 0.03 0.00 -4.77 -1.26 -5.04 116.67 106.06 1a55 s ASP 137 Ca 0.02 -0.34 -0.32 0.00 -3.30 0.00 0.00 52.55 48.62 1a55 s ASP 137 Cb 0.14 -0.94 -0.10 0.00 -1.09 0.00 0.00 42.92 40.92 1a55 s ASP 137 CO 0.81 0.17 1.91 0.61 0.70 0.00 0.00 175.17 179.37 1a55 n GLY 138 N 0.57 1.70 2.98 2.12 0.00 -1.26 -4.89 105.19 106.40 1a55 n GLY 138 Ca -0.12 0.80 -0.15 0.00 0.00 0.00 0.00 46.02 46.55 1a55 n GLY 138 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1a55 s SER 139 N 3.87 0.62 0.20 1.61 0.15 -0.87 -3.55 113.70 115.74 1a55 s SER 139 Ca 0.88 -0.21 0.00 0.00 0.70 0.00 0.00 55.95 57.33 1a55 s SER 139 Cb -0.52 -0.03 0.14 0.00 -1.71 0.00 0.00 66.02 63.90 1a55 s SER 139 CO 0.43 -0.01 1.50 1.23 1.20 0.00 0.00 173.24 177.59 1a55 h GLY 140 N 5.63 0.43 1.18 9.45 0.00 -1.91 -2.49 103.07 115.36 1a55 h GLY 140 Ca -0.30 -0.54 -0.27 0.00 0.00 0.00 0.00 47.33 46.23 1a55 h GLY 140 CO 0.48 0.49 -1.06 -0.84 0.00 0.00 0.00 176.54 175.61 1a55 h THR 141 N 0.29 1.29 -0.53 4.70 2.02 -1.95 -2.33 112.91 116.39 1a55 h THR 141 Ca -0.01 -2.28 0.06 0.00 0.77 0.00 0.00 66.41 64.95 1a55 h THR 141 Cb 1.17 2.47 -0.05 0.00 -1.74 0.00 0.00 68.15 69.99 1a55 h THR 141 CO 0.11 0.70 0.23 0.28 0.37 0.00 0.00 175.52 177.21 1a55 h SER 142 N 0.33 0.30 -0.11 4.18 0.02 -1.85 0.01 113.55 116.42 1a55 h SER 142 Ca -0.14 0.05 0.04 0.00 -0.84 0.00 0.00 61.79 60.90 1a55 h SER 142 Cb 1.72 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 64.20 1a55 h SER 142 CO 0.21 0.20 -0.27 0.15 -1.14 0.00 0.00 176.83 175.98 1a55 h PHE 143 N 0.45 -0.72 -0.25 3.45 3.57 -1.17 0.34 116.94 122.61 1a55 h PHE 143 Ca 0.25 0.03 -0.07 0.00 3.53 0.00 0.00 57.97 61.71 1a55 h PHE 143 Cb 0.22 0.33 -0.01 0.00 2.79 0.00 0.00 35.95 39.29 1a55 h PHE 143 CO -0.13 -0.35 -0.10 0.28 -2.23 0.00 0.00 178.31 175.78 1a55 h VAL 144 N -0.35 1.30 -0.39 1.41 2.07 -1.28 0.42 116.25 119.43 1a55 h VAL 144 Ca 0.09 -1.16 -0.16 0.00 0.82 0.00 0.00 66.70 66.29 1a55 h VAL 144 Cb 0.49 1.54 -0.01 0.00 -1.52 0.00 0.00 31.29 31.79 1a55 h VAL 144 CO -0.31 0.36 -0.38 0.15 0.02 0.00 0.00 177.57 177.41 1a55 h PHE 145 N 0.24 1.14 0.00 1.57 3.57 -0.71 -2.19 116.94 120.55 1a55 h PHE 145 Ca 0.06 -0.34 -0.03 0.00 3.53 0.00 0.00 57.97 61.19 1a55 h PHE 145 Cb 0.60 -0.24 -0.00 0.00 2.79 0.00 0.00 35.95 39.09 1a55 h PHE 145 CO 0.06 1.17 -0.15 1.79 -2.23 0.00 0.00 178.31 178.96 1a55 h THR 146 N 0.78 0.26 -0.59 4.41 1.35 -0.28 -2.09 112.91 116.75 1a55 h THR 146 Ca 0.06 -1.33 -0.08 0.00 -0.55 0.00 0.00 66.41 64.51 1a55 h THR 146 Cb 0.98 2.10 -0.02 0.00 -1.73 0.00 0.00 68.15 69.47 1a55 h THR 146 CO 0.10 0.14 0.05 0.28 -0.25 0.00 0.00 175.52 175.84 1a55 h SER 147 N 0.00 0.95 -0.13 5.36 0.02 -0.84 -1.61 113.55 117.29 1a55 h SER 147 Ca -0.00 -0.23 -0.21 0.00 -0.84 0.00 0.00 61.79 60.50 1a55 h SER 147 Cb 1.09 -0.25 0.01 0.00 0.14 0.00 0.00 62.40 63.39 1a55 h SER 147 CO 0.02 0.97 -0.75 0.22 -1.14 0.00 0.00 176.83 176.15 1a55 h TYR 148 N 0.92 1.01 -0.05 3.45 3.20 -1.20 -3.12 116.97 121.18 1a55 h TYR 148 Ca 0.18 -0.46 -0.11 0.00 3.14 0.00 0.00 58.73 61.49 1a55 h TYR 148 Cb 0.46 -0.15 -0.01 0.00 1.54 0.00 0.00 36.73 38.57 1a55 h TYR 148 CO 0.03 1.28 -0.45 -0.07 -1.64 0.00 0.00 178.16 177.31 1a55 h LEU 149 N 0.45 0.13 -1.49 2.82 3.38 -1.39 -2.54 115.31 116.68 1a55 h LEU 149 Ca -0.06 -0.06 -0.05 0.00 0.09 0.00 0.00 57.88 57.81 1a55 h LEU 149 Cb 1.39 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 42.09 1a55 h LEU 149 CO 0.15 0.57 -0.24 0.00 0.09 0.00 0.00 178.44 179.01 1a55 h ALA 150 N 1.44 1.26 0.00 1.53 0.00 -1.23 0.35 119.26 122.61 1a55 h ALA 150 Ca 0.01 -0.22 -0.12 0.00 0.00 0.00 0.00 54.91 54.58 1a55 h ALA 150 Cb 0.84 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.58 1a55 h ALA 150 CO 0.06 0.30 -0.91 0.87 0.00 0.00 0.00 179.25 179.57 1a55 h LYS 151 N 0.00 0.00 -0.01 0.00 1.57 -1.42 -3.37 116.57 113.35 1a55 h LYS 151 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1a55 h LYS 151 Cb 0.55 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.86 1a55 h LYS 151 CO 0.03 0.34 -0.03 1.33 -0.57 0.00 0.00 179.45 180.56 1a55 n VAL 152 N -3.03 0.00 -3.70 0.50 0.24 -1.01 -4.93 118.33 106.40 1a55 n VAL 152 Ca -0.03 -0.49 -0.17 0.00 -2.04 0.00 0.00 64.34 61.62 1a55 n VAL 152 Cb 0.75 1.09 -0.16 0.00 -1.47 0.00 0.00 33.84 34.05 1a55 n VAL 152 CO 0.00 0.00 0.00 0.21 -2.14 0.00 0.00 176.83 174.90 1a55 s ASN 153 N -0.53 0.55 0.22 -1.34 3.84 0.10 -3.81 114.94 113.96 1a55 s ASN 153 Ca 0.05 0.21 0.18 0.00 0.21 0.00 0.00 52.86 53.51 1a55 s ASN 153 Cb 0.04 0.09 0.02 0.00 -0.55 0.00 0.00 41.25 40.85 1a55 s ASN 153 CO 0.07 -0.21 1.20 -0.08 -2.79 0.00 0.00 177.10 175.30 1a55 h GLU 154 N 7.96 0.00 0.00 0.43 4.81 -1.83 -2.70 114.58 123.25 1a55 h GLU 154 Ca -0.25 0.00 -0.10 0.00 -0.13 0.00 0.00 59.36 58.89 1a55 h GLU 154 Cb 1.12 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.49 1a55 h GLU 154 CO 0.26 0.30 -0.46 1.49 -0.73 0.00 0.00 179.01 179.87 1a55 h GLU 155 N 0.00 0.00 -0.12 1.92 4.81 -1.95 -2.10 114.58 117.15 1a55 h GLU 155 Ca -0.06 0.00 -0.11 0.00 -0.13 0.00 0.00 59.36 59.06 1a55 h GLU 155 Cb 1.35 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.73 1a55 h GLU 155 CO 0.04 0.46 -0.36 2.35 -0.73 0.00 0.00 179.01 180.77 1a55 h TRP 156 N 0.00 0.59 -0.34 0.92 2.91 -1.84 -2.55 115.95 115.64 1a55 h TRP 156 Ca -0.00 -0.24 0.00 0.00 1.13 0.00 0.00 58.89 59.78 1a55 h TRP 156 Cb 0.98 -0.10 -0.02 0.00 -0.51 0.00 0.00 29.16 29.52 1a55 h TRP 156 CO 0.00 0.97 0.23 -0.22 -1.03 0.00 0.00 178.44 178.39 1a55 h LYS 157 N 0.03 0.45 0.00 2.65 3.64 -1.27 0.23 116.57 122.31 1a55 h LYS 157 Ca -0.01 -0.03 -0.19 0.00 -1.27 0.00 0.00 60.65 59.14 1a55 h LYS 157 Cb 0.98 -0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 32.67 1a55 h LYS 157 CO 0.08 0.30 -0.94 -0.91 -2.27 0.00 0.00 179.45 175.71 1a55 h ASN 158 N 0.46 0.00 0.00 4.20 2.35 -1.49 -3.20 115.58 117.90 1a55 h ASN 158 Ca 0.13 0.00 -0.31 0.00 -0.55 0.00 0.00 56.30 55.57 1a55 h ASN 158 Cb -0.05 0.00 -0.06 0.00 0.05 0.00 0.00 38.32 38.26 1a55 h ASN 158 CO -0.03 0.91 -2.15 0.59 -1.65 0.00 0.00 177.43 175.09 1a55 n ASN 159 N -3.31 1.48 -0.05 5.81 3.02 -0.96 -4.84 115.26 116.42 1a55 n ASN 159 Ca -0.00 -0.04 -0.10 0.00 -0.03 0.00 0.00 54.58 54.40 1a55 n ASN 159 Cb 0.91 0.44 -0.03 0.00 -0.61 0.00 0.00 39.78 40.48 1a55 n ASN 159 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 1a55 n VAL 160 N -2.80 1.08 -2.39 2.41 0.31 0.22 -5.02 118.33 112.14 1a55 n VAL 160 Ca -0.31 0.02 0.00 0.00 -0.01 0.00 0.00 64.34 64.05 1a55 n VAL 160 Cb 0.98 -1.84 0.00 0.00 -0.91 0.00 0.00 33.84 32.07 1a55 n VAL 160 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1a55 n GLY 161 N 2.25 -1.70 3.43 2.92 0.00 0.57 -4.72 105.19 107.94 1a55 n GLY 161 Ca -0.19 -1.60 -0.31 0.00 0.00 0.00 0.00 46.02 43.92 1a55 n GLY 161 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1a55 s THR 162 N 0.00 2.69 0.00 2.61 2.01 -1.26 -4.78 115.64 116.92 1a55 s THR 162 Ca 0.00 -1.09 0.00 0.00 0.31 0.00 0.00 61.69 60.91 1a55 s THR 162 Cb 0.00 -2.09 0.00 0.00 0.01 0.00 0.00 72.50 70.42 1a55 s THR 162 CO 0.00 0.43 0.00 0.61 -0.69 0.00 0.00 174.62 174.97 1a55 n GLY 163 N 1.85 0.40 0.28 4.40 0.00 -1.26 -4.95 105.19 105.91 1a55 n GLY 163 Ca -0.16 -0.89 -0.02 0.00 0.00 0.00 0.00 46.02 44.95 1a55 n GLY 163 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1a55 h SER 164 N 0.00 0.64 -3.41 1.61 0.02 -1.87 -2.98 113.55 107.56 1a55 h SER 164 Ca 0.00 -0.13 -0.43 0.00 -0.84 0.00 0.00 61.79 60.39 1a55 h SER 164 Cb 0.00 -0.17 -0.35 0.00 0.14 0.00 0.00 62.40 62.03 1a55 h SER 164 CO 0.00 0.69 -0.78 -0.89 -1.14 0.00 0.00 176.83 174.71 1a55 s THR 165 N -5.03 0.58 0.20 -2.27 2.01 -1.26 -2.05 115.64 107.83 1a55 s THR 165 Ca -0.09 -0.12 0.02 0.00 0.31 0.00 0.00 61.69 61.82 1a55 s THR 165 Cb 0.15 -0.62 -0.01 0.00 0.01 0.00 0.00 72.50 72.03 1a55 s THR 165 CO 0.79 0.25 0.08 1.33 -0.69 0.00 0.00 174.62 176.38 1a55 n VAL 166 N 4.26 0.00 -3.35 3.82 0.24 -1.26 -5.04 118.33 116.99 1a55 n VAL 166 Ca -0.21 -1.21 -0.46 0.00 -2.04 0.00 0.00 64.34 60.42 1a55 n VAL 166 Cb 0.51 0.45 -0.04 0.00 -1.47 0.00 0.00 33.84 33.29 1a55 n VAL 166 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 1a55 s LYS 167 N -2.78 3.28 -0.12 7.34 2.20 -1.26 -5.02 119.74 123.37 1a55 s LYS 167 Ca 0.12 -2.16 -0.29 0.00 -0.36 0.00 0.00 55.97 53.27 1a55 s LYS 167 Cb 0.01 -4.32 -0.03 0.00 -1.51 0.00 0.00 37.83 31.97 1a55 s LYS 167 CO 0.08 -1.29 1.39 -1.58 -0.36 0.00 0.00 175.35 173.59 1a55 s TRP 168 N 0.73 2.58 0.19 4.03 0.52 -1.26 -4.88 118.94 120.84 1a55 s TRP 168 Ca 0.12 0.75 -0.13 0.00 0.02 0.00 0.00 56.10 56.86 1a55 s TRP 168 Cb -0.19 -3.64 0.19 0.00 -1.15 0.00 0.00 33.47 28.68 1a55 s TRP 168 CO -0.04 -2.40 1.72 -1.35 0.02 0.00 0.00 176.95 174.90 1a55 h PRO 169 N 8.60 0.22 -4.60 4.98 0.11 -1.90 -3.45 132.00 135.95 1a55 h PRO 169 Ca -0.31 -0.01 -0.27 0.00 0.11 0.00 0.00 66.00 65.52 1a55 h PRO 169 Cb 1.13 -0.05 -0.15 0.00 0.11 0.00 0.00 31.00 32.04 1a55 h PRO 169 CO 0.96 0.15 -0.59 0.96 -0.21 0.00 0.00 178.00 179.27 1a55 s ILE 170 N -6.14 0.00 0.00 4.15 -4.36 -1.26 -5.02 121.20 108.57 1a55 s ILE 170 Ca -0.13 -1.98 0.00 0.00 -0.26 0.00 0.00 60.65 58.28 1a55 s ILE 170 Cb 0.15 -2.49 0.00 0.00 1.25 0.00 0.00 42.46 41.37 1a55 s ILE 170 CO 0.73 0.00 0.00 0.61 0.24 0.00 0.00 174.94 176.52 1a55 n GLY 171 N -0.32 2.90 3.81 6.27 0.00 -1.26 -4.94 105.19 111.65 1a55 n GLY 171 Ca 0.03 -1.90 -0.37 0.00 0.00 0.00 0.00 46.02 43.78 1a55 n GLY 171 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1a55 s LEU 172 N 0.00 4.42 -0.21 0.99 1.43 -0.72 -4.86 118.68 119.73 1a55 s LEU 172 Ca 0.00 1.41 -0.09 0.00 -1.03 0.00 0.00 54.13 54.42 1a55 s LEU 172 Cb 0.00 -3.39 -0.04 0.00 0.03 0.00 0.00 46.19 42.78 1a55 s LEU 172 CO 0.00 0.11 0.11 -0.83 0.23 0.00 0.00 176.35 175.97 1a55 s GLY 173 N -1.48 1.95 -0.03 -3.19 0.00 -1.25 -0.85 107.32 102.46 1a55 s GLY 173 Ca 0.39 -0.82 0.02 0.00 0.00 0.00 0.00 44.72 44.31 1a55 s GLY 173 CO 0.22 0.24 -0.07 -0.32 0.00 0.00 0.00 173.10 173.16 1a55 s GLY 174 N 0.73 1.72 -0.24 0.20 0.00 0.14 -4.75 107.32 105.12 1a55 s GLY 174 Ca 0.06 -0.96 -0.19 0.00 0.00 0.00 0.00 44.72 43.63 1a55 s GLY 174 CO 0.02 -0.78 0.56 1.25 0.00 0.00 0.00 173.10 174.15 1a55 s LYS 175 N -1.13 4.12 0.00 2.90 2.20 -1.26 -2.00 119.74 124.57 1a55 s LYS 175 Ca 0.15 0.45 0.00 0.00 -0.36 0.00 0.00 55.97 56.20 1a55 s LYS 175 Cb -0.11 -3.62 0.00 0.00 -1.51 0.00 0.00 37.83 32.59 1a55 s LYS 175 CO 0.05 -0.32 0.00 0.41 -0.36 0.00 0.00 175.35 175.13 1a55 n GLY 176 N 4.15 -1.78 0.22 5.54 0.00 -1.26 -1.96 105.19 110.10 1a55 n GLY 176 Ca -0.03 -1.52 0.08 0.00 0.00 0.00 0.00 46.02 44.55 1a55 n GLY 176 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1a55 h ASN 177 N 0.00 0.00 0.84 1.61 2.35 -1.91 -2.90 115.58 115.57 1a55 h ASN 177 Ca 0.00 0.00 -0.16 0.00 -0.55 0.00 0.00 56.30 55.59 1a55 h ASN 177 Cb 0.00 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.35 1a55 h ASN 177 CO 0.00 0.26 -0.74 -2.24 -1.65 0.00 0.00 177.43 173.05 1a55 h ASP 178 N 0.00 0.00 -0.02 5.81 2.03 -1.96 -3.02 116.42 119.26 1a55 h ASP 178 Ca -0.00 0.00 -0.25 0.00 -0.73 0.00 0.00 57.03 56.05 1a55 h ASP 178 Cb 0.58 0.00 0.02 0.00 -0.83 0.00 0.00 39.33 39.10 1a55 h ASP 178 CO 0.03 0.74 -0.93 1.23 -1.03 0.00 0.00 179.24 179.28 1a55 h GLY 179 N 2.42 0.79 0.87 7.15 0.00 -1.28 -1.08 103.07 111.94 1a55 h GLY 179 Ca -0.01 -1.27 -0.03 0.00 0.00 0.00 0.00 47.33 46.01 1a55 h GLY 179 CO 0.10 1.13 0.04 -2.22 0.00 0.00 0.00 176.54 175.58 1a55 h ILE 180 N 0.44 1.24 -0.41 2.60 2.04 -1.50 -2.15 117.51 119.76 1a55 h ILE 180 Ca -0.10 -0.82 0.08 0.00 1.00 0.00 0.00 64.86 65.03 1a55 h ILE 180 Cb 1.58 1.24 -0.09 0.00 -0.74 0.00 0.00 36.82 38.80 1a55 h ILE 180 CO 0.18 0.26 -0.34 0.00 0.00 0.00 0.00 178.15 178.25 1a55 h ALA 181 N 0.86 -0.22 -0.91 1.87 0.00 -1.37 -1.76 119.26 117.73 1a55 h ALA 181 Ca 0.08 0.10 0.07 0.00 0.00 0.00 0.00 54.91 55.16 1a55 h ALA 181 Cb 0.35 0.74 -0.06 0.00 0.00 0.00 0.00 17.79 18.82 1a55 h ALA 181 CO 0.01 -0.75 0.57 0.00 0.00 0.00 0.00 179.25 179.08 1a55 h ALA 182 N 0.72 1.26 -0.58 0.00 0.00 -1.20 -2.87 119.26 116.58 1a55 h ALA 182 Ca 0.17 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.98 1a55 h ALA 182 Cb 0.55 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 1a55 h ALA 182 CO -0.55 0.32 0.02 0.35 0.00 0.00 0.00 179.25 179.38 1a55 h PHE 183 N 1.03 1.11 -0.34 0.00 3.04 -0.82 -2.79 116.94 118.16 1a55 h PHE 183 Ca 0.40 -0.19 -0.07 0.00 3.98 0.00 0.00 57.97 62.09 1a55 h PHE 183 Cb 0.19 -0.29 -0.01 0.00 2.56 0.00 0.00 35.95 38.40 1a55 h PHE 183 CO -0.02 0.98 -0.08 0.28 -2.02 0.00 0.00 178.31 177.45 1a55 h VAL 184 N 0.91 1.28 -0.79 1.41 2.07 -1.14 -2.33 116.25 117.66 1a55 h VAL 184 Ca 0.17 -1.13 0.03 0.00 0.82 0.00 0.00 66.70 66.59 1a55 h VAL 184 Cb 0.53 1.31 -0.04 0.00 -1.52 0.00 0.00 31.29 31.57 1a55 h VAL 184 CO 0.03 0.37 0.52 -0.61 0.02 0.00 0.00 177.57 177.90 1a55 h GLN 185 N 0.44 0.96 0.00 1.57 4.15 -1.57 -3.13 115.11 117.54 1a55 h GLN 185 Ca 0.09 -0.06 0.00 0.00 0.77 0.00 0.00 58.65 59.45 1a55 h GLN 185 Cb 0.58 -0.22 0.00 0.00 0.21 0.00 0.00 27.48 28.05 1a55 h GLN 185 CO 0.03 0.64 -0.82 0.07 -1.93 0.00 0.00 178.83 176.82 1a55 h ARG 186 N 0.99 0.00 -4.74 1.69 0.11 -1.23 -3.46 114.38 107.75 1a55 h ARG 186 Ca 0.31 0.00 -0.69 0.00 0.10 0.00 0.00 59.98 59.70 1a55 h ARG 186 Cb 0.02 0.00 -0.32 0.00 1.11 0.00 0.00 29.97 30.78 1a55 h ARG 186 CO -0.09 0.00 -0.67 -0.51 0.10 0.00 0.00 179.97 178.80 1a55 s LEU 187 N -4.72 4.06 0.21 0.08 1.43 -0.90 -5.08 118.68 113.76 1a55 s LEU 187 Ca 0.03 -1.29 -0.32 0.00 -1.03 0.00 0.00 54.13 51.53 1a55 s LEU 187 Cb 0.12 -1.75 -0.12 0.00 0.03 0.00 0.00 46.19 44.47 1a55 s LEU 187 CO 0.76 -0.29 1.68 -2.84 0.23 0.00 0.00 176.35 175.89 1a55 s PRO 188 N 1.28 4.14 0.00 1.29 0.02 -1.26 -0.51 135.00 139.96 1a55 s PRO 188 Ca -0.04 2.56 0.00 0.00 0.02 0.00 0.00 61.00 63.55 1a55 s PRO 188 Cb -0.20 -3.08 0.00 0.00 0.02 0.00 0.00 34.50 31.24 1a55 s PRO 188 CO -0.00 -0.71 0.00 0.41 -0.33 0.00 0.00 177.00 176.36 1a55 n GLY 189 N 3.71 1.12 3.81 0.52 0.00 0.44 -4.81 105.19 109.98 1a55 n GLY 189 Ca 0.15 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.84 1a55 n GLY 189 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a55 s ALA 190 N -2.47 2.79 -0.01 4.61 0.00 0.34 -2.09 121.76 124.92 1a55 s ALA 190 Ca 0.00 0.40 0.02 0.00 0.00 0.00 0.00 51.96 52.38 1a55 s ALA 190 Cb 0.00 -3.22 -0.00 0.00 0.00 0.00 0.00 23.12 19.90 1a55 s ALA 190 CO 0.00 -0.69 -0.07 -1.50 0.00 0.00 0.00 175.76 173.49 1a55 s ILE 191 N -2.41 0.62 -0.04 0.00 2.07 -1.01 -1.06 121.20 119.37 1a55 s ILE 191 Ca 0.64 -0.30 -0.19 0.00 -1.41 0.00 0.00 60.65 59.39 1a55 s ILE 191 Cb -0.16 -0.54 0.04 0.00 0.13 0.00 0.00 42.46 41.93 1a55 s ILE 191 CO 0.34 0.19 0.42 -0.83 -1.91 0.00 0.00 174.94 173.15 1a55 s GLY 192 N 0.04 -0.28 -0.15 1.50 0.00 -0.36 -0.58 107.32 107.49 1a55 s GLY 192 Ca -0.00 0.67 -0.13 0.00 0.00 0.00 0.00 44.72 45.26 1a55 s GLY 192 CO -0.00 0.43 0.27 -2.52 0.00 0.00 0.00 173.10 171.28 1a55 s TYR 193 N -1.14 3.49 0.03 1.90 1.13 -1.26 -0.83 117.35 120.67 1a55 s TYR 193 Ca -0.12 0.59 -0.01 0.00 -1.41 0.00 0.00 57.07 56.13 1a55 s TYR 193 Cb -0.04 -2.28 -0.02 0.00 -1.10 0.00 0.00 41.96 38.52 1a55 s TYR 193 CO 0.05 0.33 -0.02 0.14 -2.51 0.00 0.00 175.55 173.54 1a55 s VAL 194 N 0.17 0.13 0.38 -3.49 -7.23 -0.41 -4.95 120.40 105.01 1a55 s VAL 194 Ca 0.16 -1.11 -0.28 0.00 -1.81 0.00 0.00 61.98 58.94 1a55 s VAL 194 Cb -0.13 -0.57 -0.10 0.00 0.56 0.00 0.00 36.38 36.14 1a55 s VAL 194 CO 0.04 -0.61 1.40 -0.70 -0.31 0.00 0.00 175.10 174.92 1a55 s GLU 195 N -2.05 4.09 0.48 4.82 -6.30 -1.26 0.56 118.70 119.04 1a55 s GLU 195 Ca -0.10 2.39 0.23 0.00 -2.50 0.00 0.00 54.97 54.99 1a55 s GLU 195 Cb -0.06 -2.92 1.27 0.00 0.00 0.00 0.00 34.13 32.42 1a55 s GLU 195 CO -0.03 -0.47 1.89 -0.92 0.02 0.00 0.00 175.26 175.75 1a55 h TYR 196 N 2.96 0.27 -0.61 5.30 3.20 -1.34 -2.06 116.97 124.69 1a55 h TYR 196 Ca -0.50 0.01 0.10 0.00 3.14 0.00 0.00 58.73 61.48 1a55 h TYR 196 Cb 1.24 -0.08 -0.08 0.00 1.54 0.00 0.00 36.73 39.35 1a55 h TYR 196 CO 0.53 0.07 0.20 0.00 -1.64 0.00 0.00 178.16 177.33 1a55 h TYR 198 N 0.37 0.04 0.15 0.00 0.05 -1.74 -2.36 116.97 113.46 1a55 h TYR 198 Ca 0.31 -0.01 -0.20 0.00 0.05 0.00 0.00 58.73 58.88 1a55 h TYR 198 Cb 0.41 -0.01 0.02 0.00 1.01 0.00 0.00 36.73 38.17 1a55 h TYR 198 CO -0.19 0.53 -0.89 0.00 -1.05 0.00 0.00 178.16 176.57 1a55 h ALA 199 N 1.46 -0.09 0.43 3.88 0.00 -1.58 -3.15 119.26 120.22 1a55 h ALA 199 Ca -0.00 -0.71 -0.02 0.00 0.00 0.00 0.00 54.91 54.18 1a55 h ALA 199 Cb 0.91 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.80 1a55 h ALA 199 CO 0.07 0.42 -0.22 -0.22 0.00 0.00 0.00 179.25 179.29 1a55 h LYS 200 N -0.28 -0.58 0.00 0.00 3.64 -1.50 0.22 116.57 118.07 1a55 h LYS 200 Ca -0.15 0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.25 1a55 h LYS 200 Cb 1.69 0.13 -0.00 0.00 -0.41 0.00 0.00 32.23 33.64 1a55 h LYS 200 CO 0.17 -0.39 -0.08 1.96 -2.27 0.00 0.00 179.45 178.84 1a55 h GLN 201 N -0.60 0.00 -0.02 1.90 7.50 -1.60 -2.25 115.11 120.04 1a55 h GLN 201 Ca -0.05 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.10 1a55 h GLN 201 Cb 0.47 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.00 1a55 h GLN 201 CO 0.08 0.08 -0.22 0.09 -1.50 0.00 0.00 178.83 177.36 1a55 n ASN 202 N -3.53 2.40 -3.34 1.46 3.02 -1.16 -4.99 115.26 109.12 1a55 n ASN 202 Ca -0.02 -1.70 -0.16 0.00 -0.03 0.00 0.00 54.58 52.67 1a55 n ASN 202 Cb 0.21 0.24 0.08 0.00 -0.61 0.00 0.00 39.78 39.70 1a55 n ASN 202 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1a55 n ASN 203 N 0.60 -3.42 -4.86 6.41 3.02 -0.53 -4.99 115.26 111.50 1a55 n ASN 203 Ca 0.11 -0.64 -0.35 0.00 -0.03 0.00 0.00 54.58 53.67 1a55 n ASN 203 Cb 0.50 -5.09 -0.06 0.00 -0.61 0.00 0.00 39.78 34.52 1a55 n ASN 203 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1a55 s LEU 204 N -6.01 4.25 0.54 3.41 1.43 0.67 -5.03 118.68 117.94 1a55 s LEU 204 Ca 0.14 0.36 -0.19 0.00 -1.03 0.00 0.00 54.13 53.41 1a55 s LEU 204 Cb -0.02 -2.24 -0.06 0.00 0.03 0.00 0.00 46.19 43.90 1a55 s LEU 204 CO 0.72 0.34 1.10 0.00 0.23 0.00 0.00 176.35 178.75 1a55 s ALA 205 N -1.13 2.72 0.09 4.21 0.00 -1.25 -4.64 121.76 121.76 1a55 s ALA 205 Ca 0.20 0.73 -0.07 0.00 0.00 0.00 0.00 51.96 52.81 1a55 s ALA 205 Cb -0.12 -3.32 -0.01 0.00 0.00 0.00 0.00 23.12 19.66 1a55 s ALA 205 CO 0.10 -0.71 0.15 1.52 0.00 0.00 0.00 175.76 176.82 1a55 s TYR 206 N -1.91 0.27 0.67 0.00 -0.85 -1.26 -2.05 117.35 112.22 1a55 s TYR 206 Ca 0.70 -0.72 0.03 0.00 -0.52 0.00 0.00 57.07 56.57 1a55 s TYR 206 Cb -0.21 -0.14 0.11 0.00 0.38 0.00 0.00 41.96 42.10 1a55 s TYR 206 CO 0.27 -0.53 0.92 0.95 -1.52 0.00 0.00 175.55 175.64 1a55 s THR 207 N -3.89 2.12 0.33 -3.49 -4.23 -1.05 -0.81 115.64 104.63 1a55 s THR 207 Ca 0.07 -0.76 0.08 0.00 -1.18 0.00 0.00 61.69 59.90 1a55 s THR 207 Cb 0.05 -2.36 -0.03 0.00 1.34 0.00 0.00 72.50 71.50 1a55 s THR 207 CO -0.09 0.00 0.25 -0.54 -0.54 0.00 0.00 174.62 173.70 1a55 s LYS 208 N -4.96 2.63 0.03 3.99 1.02 -0.16 -4.69 119.74 117.59 1a55 s LYS 208 Ca 0.65 -1.36 0.00 0.00 0.02 0.00 0.00 55.97 55.28 1a55 s LYS 208 Cb -0.05 -2.39 -0.02 0.00 -0.52 0.00 0.00 37.83 34.84 1a55 s LYS 208 CO 0.42 0.11 -0.04 -0.51 -0.92 0.00 0.00 175.35 174.42 1a55 s LEU 209 N -3.95 2.26 -0.22 3.17 1.43 -1.19 -1.85 118.68 118.34 1a55 s LEU 209 Ca 0.40 -0.55 -0.15 0.00 -1.03 0.00 0.00 54.13 52.79 1a55 s LEU 209 Cb -0.05 0.08 -0.04 0.00 0.03 0.00 0.00 46.19 46.21 1a55 s LEU 209 CO 0.25 -0.32 0.38 0.27 0.23 0.00 0.00 176.35 177.17 1a55 s ILE 210 N -1.67 5.20 1.18 -0.59 -5.25 -0.99 -0.14 121.20 118.94 1a55 s ILE 210 Ca -0.13 0.65 -0.17 0.00 -0.99 0.00 0.00 60.65 60.00 1a55 s ILE 210 Cb -0.08 -3.71 0.21 0.00 2.95 0.00 0.00 42.46 41.83 1a55 s ILE 210 CO -0.02 0.24 0.44 -1.54 -1.79 0.00 0.00 174.94 172.27 1a55 n SER 211 N 4.65 -2.65 -0.29 4.36 3.41 0.25 -4.74 113.62 118.60 1a55 n SER 211 Ca -0.09 -0.32 0.07 0.00 -0.26 0.00 0.00 58.87 58.27 1a55 n SER 211 Cb 0.51 -1.00 0.22 0.00 -0.26 0.00 0.00 64.21 63.68 1a55 n SER 211 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1a55 h ALA 212 N -2.61 1.25 -0.00 7.33 0.00 -1.84 0.92 119.26 124.31 1a55 h ALA 212 Ca -0.49 0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.50 1a55 h ALA 212 Cb 1.25 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1a55 h ALA 212 CO 0.35 -0.09 -0.07 -0.25 0.00 0.00 0.00 179.25 179.19 1a55 n ASP 213 N -4.88 0.14 0.00 0.00 8.00 -1.26 -4.95 116.55 113.60 1a55 n ASP 213 Ca 0.17 -0.01 0.00 0.00 0.71 0.00 0.00 54.79 55.66 1a55 n ASP 213 Cb 0.42 -0.27 0.00 0.00 -0.02 0.00 0.00 41.12 41.25 1a55 n ASP 213 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1a55 n GLY 214 N 1.38 1.28 3.31 0.44 0.00 0.32 -5.09 105.19 106.83 1a55 n GLY 214 Ca 0.11 -0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.85 1a55 n GLY 214 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1a55 s LYS 215 N -0.28 1.51 -0.09 1.61 -0.14 -1.26 -4.83 119.74 116.27 1a55 s LYS 215 Ca 0.00 -1.10 -0.30 0.00 -1.36 0.00 0.00 55.97 53.21 1a55 s LYS 215 Cb 0.00 -1.74 -0.02 0.00 -1.68 0.00 0.00 37.83 34.39 1a55 s LYS 215 CO 0.00 0.44 1.14 -2.14 -0.76 0.00 0.00 175.35 174.03 1a55 s PRO 216 N -1.44 4.36 0.27 -1.68 0.02 -1.26 0.85 135.00 136.12 1a55 s PRO 216 Ca 0.10 1.58 0.09 0.00 0.02 0.00 0.00 61.00 62.79 1a55 s PRO 216 Cb -0.10 -3.57 -0.04 0.00 0.02 0.00 0.00 34.50 30.81 1a55 s PRO 216 CO 0.03 -0.44 0.01 0.14 -0.33 0.00 0.00 177.00 176.41 1a55 s VAL 217 N 2.31 3.48 0.40 3.83 -7.23 0.80 -4.92 120.40 119.06 1a55 s VAL 217 Ca 0.53 -1.88 -0.07 0.00 -1.81 0.00 0.00 61.98 58.76 1a55 s VAL 217 Cb -0.22 -2.88 -0.05 0.00 0.56 0.00 0.00 36.38 33.79 1a55 s VAL 217 CO 0.19 -0.36 0.71 -0.44 -0.31 0.00 0.00 175.10 174.89 1a55 s SER 218 N -3.69 6.41 -0.02 4.85 0.01 -1.26 -3.17 113.70 116.83 1a55 s SER 218 Ca 0.32 0.92 -0.23 0.00 1.31 0.00 0.00 55.95 58.27 1a55 s SER 218 Cb -0.06 -2.24 -0.05 0.00 0.21 0.00 0.00 66.02 63.89 1a55 s SER 218 CO 0.20 -0.40 0.67 -2.16 0.41 0.00 0.00 173.24 171.97 1a55 s PRO 219 N -4.08 4.41 -0.16 12.44 0.04 -1.26 -4.81 135.00 141.57 1a55 s PRO 219 Ca 0.47 0.86 -0.30 0.00 0.04 0.00 0.00 61.00 62.07 1a55 s PRO 219 Cb -0.10 -3.39 0.13 0.00 0.04 0.00 0.00 34.50 31.18 1a55 s PRO 219 CO 0.35 0.24 1.03 0.95 0.04 0.00 0.00 177.00 179.61 1a55 s THR 220 N 0.21 0.00 0.24 1.26 -4.23 -1.26 -5.05 115.64 106.80 1a55 s THR 220 Ca 0.35 0.00 -0.05 0.00 -1.18 0.00 0.00 61.69 60.81 1a55 s THR 220 Cb -0.18 -1.00 0.19 0.00 1.34 0.00 0.00 72.50 72.85 1a55 s THR 220 CO 0.19 0.00 1.78 -0.08 -0.54 0.00 0.00 174.62 175.97 1a55 h GLU 221 N 2.47 0.62 0.36 3.99 4.22 -1.95 -2.09 114.58 122.19 1a55 h GLU 221 Ca -0.17 -0.04 -0.01 0.00 0.08 0.00 0.00 59.36 59.22 1a55 h GLU 221 Cb 1.17 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 30.26 1a55 h GLU 221 CO 0.30 0.41 -0.30 0.93 -2.18 0.00 0.00 179.01 178.16 1a55 h GLU 222 N 0.63 -0.65 -1.01 1.92 3.07 -1.97 -0.12 114.58 116.45 1a55 h GLU 222 Ca 0.38 0.04 0.24 0.00 -0.50 0.00 0.00 59.36 59.52 1a55 h GLU 222 Cb 0.42 0.15 -0.10 0.00 -0.84 0.00 0.00 28.75 28.37 1a55 h GLU 222 CO -0.28 -0.43 0.63 -0.91 -1.40 0.00 0.00 179.01 176.61 1a55 h ASN 223 N -0.68 0.59 0.09 1.42 2.35 -1.67 0.22 115.58 117.91 1a55 h ASN 223 Ca -0.03 0.10 -0.00 0.00 -0.55 0.00 0.00 56.30 55.82 1a55 h ASN 223 Cb 0.59 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.97 1a55 h ASN 223 CO -0.02 0.14 -0.04 -0.26 -1.65 0.00 0.00 177.43 175.59 1a55 h PHE 224 N 0.54 -0.11 -0.84 1.19 0.04 -1.13 -1.94 116.94 114.68 1a55 h PHE 224 Ca 0.60 -0.00 0.12 0.00 2.80 0.00 0.00 57.97 61.48 1a55 h PHE 224 Cb 1.26 0.04 -0.08 0.00 2.20 0.00 0.00 35.95 39.37 1a55 h PHE 224 CO -0.00 0.34 0.47 0.00 -0.60 0.00 0.00 178.31 178.52 1a55 h ALA 225 N 0.20 1.23 -0.76 2.45 0.00 -0.62 -2.66 119.26 119.10 1a55 h ALA 225 Ca -0.01 0.05 0.06 0.00 0.00 0.00 0.00 54.91 55.01 1a55 h ALA 225 Cb 0.51 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 18.16 1a55 h ALA 225 CO 0.02 0.03 0.50 -0.91 0.00 0.00 0.00 179.25 178.89 1a55 h ASN 226 N 0.74 0.73 0.65 0.00 2.35 -0.51 -2.87 115.58 116.66 1a55 h ASN 226 Ca 0.43 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 56.16 1a55 h ASN 226 Cb 0.48 -0.16 -0.00 0.00 0.05 0.00 0.00 38.32 38.69 1a55 h ASN 226 CO -0.29 0.48 -0.10 0.00 -1.65 0.00 0.00 177.43 175.86 1a55 h ALA 227 N 1.58 1.10 -0.02 -0.83 0.00 -1.29 -2.55 119.26 117.27 1a55 h ALA 227 Ca 0.32 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.14 1a55 h ALA 227 Cb 0.21 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1a55 h ALA 227 CO -0.11 0.13 -0.31 0.00 0.00 0.00 0.00 179.25 178.96 1a55 n ALA 228 N -2.19 3.19 -0.03 0.00 0.00 -1.10 -4.58 120.51 115.81 1a55 n ALA 228 Ca -0.01 -0.59 0.03 0.00 0.00 0.00 0.00 53.44 52.87 1a55 n ALA 228 Cb 0.29 -0.89 0.39 0.00 0.00 0.00 0.00 19.45 19.24 1a55 n ALA 228 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1a55 h LYS 229 N 2.62 0.59 -0.90 0.00 1.57 -1.28 -2.67 116.57 116.50 1a55 h LYS 229 Ca 0.00 -0.04 -0.60 0.00 -1.87 0.00 0.00 60.65 58.14 1a55 h LYS 229 Cb 0.73 -0.13 -0.31 0.00 0.08 0.00 0.00 32.23 32.60 1a55 h LYS 229 CO 0.00 0.41 0.41 0.41 -0.57 0.00 0.00 179.45 180.11 1a55 n GLY 230 N -1.43 5.81 3.77 3.86 0.00 -1.26 -4.97 105.19 110.96 1a55 n GLY 230 Ca 0.04 -2.21 -0.38 0.00 0.00 0.00 0.00 46.02 43.47 1a55 n GLY 230 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a55 s ALA 231 N -3.69 3.53 -1.18 4.61 0.00 -1.01 -4.99 121.76 119.03 1a55 s ALA 231 Ca 0.60 -0.11 -0.13 0.00 0.00 0.00 0.00 51.96 52.32 1a55 s ALA 231 Cb 0.48 -2.62 0.20 0.00 0.00 0.00 0.00 23.12 21.17 1a55 s ALA 231 CO 0.01 0.18 1.35 0.34 0.00 0.00 0.00 175.76 177.65 1a55 s ASP 232 N -0.12 7.14 0.54 0.00 2.15 -1.26 -4.88 116.67 120.23 1a55 s ASP 232 Ca 0.27 -3.15 0.21 0.00 0.43 0.00 0.00 52.55 50.31 1a55 s ASP 232 Cb -0.17 -2.35 1.39 0.00 -0.30 0.00 0.00 42.92 41.49 1a55 s ASP 232 CO 0.14 -0.63 2.11 -0.50 -0.17 0.00 0.00 175.17 176.12 1a55 h TRP 233 N 7.03 0.00 0.00 -5.34 4.06 -1.95 -2.75 115.95 117.00 1a55 h TRP 233 Ca 0.28 0.00 -0.03 0.00 2.06 0.00 0.00 58.89 61.20 1a55 h TRP 233 Cb 0.87 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 29.03 1a55 h TRP 233 CO 1.01 0.00 -0.14 0.66 -3.56 0.00 0.00 178.44 176.41 1a55 h SER 234 N 0.00 0.00 0.05 -3.49 4.64 -1.99 -3.04 113.55 109.72 1a55 h SER 234 Ca 0.07 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.32 1a55 h SER 234 Cb 0.31 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.41 1a55 h SER 234 CO -0.00 0.14 -0.34 0.11 -0.87 0.00 0.00 176.83 175.87 1a55 h LYS 235 N 0.00 0.15 -3.17 4.77 1.79 -1.92 -3.49 116.57 114.70 1a55 h LYS 235 Ca -0.00 -0.22 -0.00 0.00 -2.18 0.00 0.00 60.65 58.24 1a55 h LYS 235 Cb 0.52 0.08 -0.10 0.00 -1.58 0.00 0.00 32.23 31.15 1a55 h LYS 235 CO 0.02 1.06 0.11 0.99 -1.08 0.00 0.00 179.45 180.55 1a55 s THR 236 N -2.51 0.01 -0.18 -0.16 2.01 -1.15 -5.00 115.64 108.67 1a55 s THR 236 Ca -0.16 -0.63 0.22 0.00 0.31 0.00 0.00 61.69 61.42 1a55 s THR 236 Cb -0.01 -1.52 -0.09 0.00 0.01 0.00 0.00 72.50 70.89 1a55 s THR 236 CO 0.75 -0.07 0.88 0.49 -0.69 0.00 0.00 174.62 175.99 1a55 n PHE 237 N -0.37 0.75 -2.71 4.92 3.72 -1.26 -4.35 117.46 118.16 1a55 n PHE 237 Ca -0.11 0.22 -0.43 0.00 -0.05 0.00 0.00 57.45 57.09 1a55 n PHE 237 Cb 0.62 -0.88 -0.01 0.00 -0.94 0.00 0.00 39.48 38.28 1a55 n PHE 237 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1a55 s ALA 238 N -3.33 3.45 -0.10 4.37 0.00 -1.26 -4.88 121.76 120.01 1a55 s ALA 238 Ca -0.03 -2.96 -0.06 0.00 0.00 0.00 0.00 51.96 48.91 1a55 s ALA 238 Cb 0.10 -4.45 -0.04 0.00 0.00 0.00 0.00 23.12 18.74 1a55 s ALA 238 CO 0.82 -3.16 0.14 -0.65 0.00 0.00 0.00 175.76 172.90 1a55 s GLN 239 N 3.45 3.40 -0.26 0.00 -1.52 -1.26 -5.06 119.66 118.41 1a55 s GLN 239 Ca 0.48 -0.19 -0.11 0.00 -1.95 0.00 0.00 55.36 53.60 1a55 s GLN 239 Cb 0.01 -3.14 -0.05 0.00 -0.22 0.00 0.00 33.01 29.61 1a55 s GLN 239 CO 0.03 0.76 0.19 0.34 -0.25 0.00 0.00 175.29 176.35 1a55 s ASP 240 N -1.17 6.10 -0.14 5.90 2.15 -1.26 -4.78 116.67 123.47 1a55 s ASP 240 Ca 0.17 0.09 0.18 0.00 0.43 0.00 0.00 52.55 53.42 1a55 s ASP 240 Cb -0.12 -2.12 0.34 0.00 -0.30 0.00 0.00 42.92 40.72 1a55 s ASP 240 CO 0.06 -0.00 1.21 0.18 -0.17 0.00 0.00 175.17 176.45 1a55 n LEU 241 N 4.66 2.70 -4.89 -1.34 4.77 -1.26 -4.99 117.00 116.65 1a55 n LEU 241 Ca -0.14 -3.06 -0.36 0.00 -0.03 0.00 0.00 56.01 52.43 1a55 n LEU 241 Cb 0.52 -0.45 -0.06 0.00 -2.33 0.00 0.00 43.42 41.10 1a55 n LEU 241 CO 0.34 0.70 -0.15 0.42 -1.33 0.00 0.00 177.39 177.37 1a55 s THR 242 N -2.84 5.47 -1.43 -5.08 -4.23 -1.25 -3.68 115.64 102.60 1a55 s THR 242 Ca 0.34 0.13 -0.06 0.00 -1.18 0.00 0.00 61.69 60.91 1a55 s THR 242 Cb 0.29 -3.45 0.04 0.00 1.34 0.00 0.00 72.50 70.72 1a55 s THR 242 CO 0.04 0.53 0.76 -3.20 -0.54 0.00 0.00 174.62 172.21 1a55 n ASN 243 N 1.65 -2.47 -4.75 3.99 5.15 0.11 -4.95 115.26 114.00 1a55 n ASN 243 Ca -0.17 -0.85 -0.40 0.00 -0.60 0.00 0.00 54.58 52.56 1a55 n ASN 243 Cb 0.54 -3.74 -0.05 0.00 -0.53 0.00 0.00 39.78 36.00 1a55 n ASN 243 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 1a55 s GLN 244 N -6.37 4.70 0.78 1.20 -1.52 -1.26 -4.73 119.66 112.46 1a55 s GLN 244 Ca 0.29 1.67 -0.12 0.00 -1.95 0.00 0.00 55.36 55.25 1a55 s GLN 244 Cb -0.15 -3.25 0.07 0.00 -0.22 0.00 0.00 33.01 29.46 1a55 s GLN 244 CO 0.84 0.28 1.13 0.15 -0.25 0.00 0.00 175.29 177.43 1a55 s LYS 245 N -1.06 2.03 0.00 2.91 1.02 -1.26 -4.16 119.74 119.21 1a55 s LYS 245 Ca 0.45 1.39 0.00 0.00 0.02 0.00 0.00 55.97 57.83 1a55 s LYS 245 Cb -0.29 -1.85 0.00 0.00 -0.52 0.00 0.00 37.83 35.16 1a55 s LYS 245 CO 0.36 -1.85 0.00 0.41 -0.92 0.00 0.00 175.35 173.35 1a55 n GLY 246 N -0.50 2.90 3.72 -3.33 0.00 -1.26 -4.90 105.19 101.82 1a55 n GLY 246 Ca 0.11 -1.95 -0.42 0.00 0.00 0.00 0.00 46.02 43.76 1a55 n GLY 246 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1a55 s GLU 247 N -3.02 4.38 -1.60 1.61 1.03 -1.26 -3.72 118.70 116.12 1a55 s GLU 247 Ca 0.00 1.98 -0.08 0.00 0.03 0.00 0.00 54.97 56.90 1a55 s GLU 247 Cb 0.00 -3.26 0.07 0.00 -0.80 0.00 0.00 34.13 30.14 1a55 s GLU 247 CO 0.00 -0.33 0.37 -0.25 -1.33 0.00 0.00 175.26 173.72 1a55 n ASP 248 N 3.53 -0.69 -4.50 0.83 8.00 -1.26 -4.92 116.55 117.55 1a55 n ASP 248 Ca 0.09 -1.15 -0.42 0.00 0.71 0.00 0.00 54.79 54.02 1a55 n ASP 248 Cb 0.44 -2.21 -0.09 0.00 -0.02 0.00 0.00 41.12 39.23 1a55 n ASP 248 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1a55 s ALA 249 N -3.86 3.46 0.13 2.24 0.00 -1.24 -4.19 121.76 118.29 1a55 s ALA 249 Ca 0.29 -1.45 -0.31 0.00 0.00 0.00 0.00 51.96 50.49 1a55 s ALA 249 Cb -0.16 -2.95 -0.08 0.00 0.00 0.00 0.00 23.12 19.93 1a55 s ALA 249 CO 0.96 -1.40 1.34 -0.46 0.00 0.00 0.00 175.76 176.20 1a55 s TRP 250 N 2.02 3.28 -0.07 0.00 -0.11 -0.75 -4.69 118.94 118.63 1a55 s TRP 250 Ca 0.11 1.08 0.20 0.00 1.22 0.00 0.00 56.10 58.71 1a55 s TRP 250 Cb -0.17 -3.62 0.46 0.00 -1.50 0.00 0.00 33.47 28.64 1a55 s TRP 250 CO 0.12 -2.07 1.63 -1.00 -4.62 0.00 0.00 176.95 171.01 1a55 h PRO 251 N 6.36 0.00 -2.31 5.86 0.13 -1.91 -3.32 132.00 136.83 1a55 h PRO 251 Ca -0.43 0.00 -0.64 0.00 -0.87 0.00 0.00 66.00 64.07 1a55 h PRO 251 Cb 1.21 0.00 -0.39 0.00 0.13 0.00 0.00 31.00 31.95 1a55 h PRO 251 CO 0.83 0.32 -0.34 -0.89 -0.23 0.00 0.00 178.00 177.70 1a55 n ILE 252 N -3.28 3.20 -3.46 -3.56 5.41 -1.26 0.08 119.36 116.48 1a55 n ILE 252 Ca 0.01 -5.48 -0.19 0.00 1.00 0.00 0.00 62.75 58.09 1a55 n ILE 252 Cb 0.58 -1.84 -0.01 0.00 -0.71 0.00 0.00 39.64 37.66 1a55 n ILE 252 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 176.55 175.66 1a55 s THR 253 N -3.29 3.54 -0.14 1.39 2.01 -1.24 -0.34 115.64 117.57 1a55 s THR 253 Ca 0.42 -1.13 -0.30 0.00 0.31 0.00 0.00 61.69 60.99 1a55 s THR 253 Cb 0.18 -3.22 0.13 0.00 0.01 0.00 0.00 72.50 69.60 1a55 s THR 253 CO -0.05 -0.11 1.01 -0.55 -0.69 0.00 0.00 174.62 174.24 1a55 s SER 254 N -4.16 -0.33 0.47 3.53 0.15 -0.85 -3.96 113.70 108.56 1a55 s SER 254 Ca 0.47 0.28 0.01 0.00 0.70 0.00 0.00 55.95 57.40 1a55 s SER 254 Cb -0.08 0.29 0.06 0.00 -1.71 0.00 0.00 66.02 64.58 1a55 s SER 254 CO 0.30 -0.37 0.40 1.07 1.20 0.00 0.00 173.24 175.84 1a55 n THR 255 N 0.49 0.00 -3.77 6.45 5.66 -1.26 -0.45 114.28 121.40 1a55 n THR 255 Ca -0.09 -0.67 -0.12 0.00 -3.05 0.00 0.00 64.05 60.12 1a55 n THR 255 Cb 0.59 -1.11 -0.08 0.00 -1.55 0.00 0.00 70.33 68.18 1a55 n THR 255 CO 0.00 0.00 0.00 0.28 -3.05 0.00 0.00 175.07 172.30 1a55 s THR 256 N -1.01 0.07 0.18 1.09 -1.32 -1.09 -4.79 115.64 108.77 1a55 s THR 256 Ca 0.27 -0.61 0.10 0.00 -1.21 0.00 0.00 61.69 60.24 1a55 s THR 256 Cb -0.02 -0.78 -0.04 0.00 -1.51 0.00 0.00 72.50 70.16 1a55 s THR 256 CO 0.18 -0.34 -0.22 -0.36 -2.21 0.00 0.00 174.62 171.67 1a55 s PHE 257 N -1.97 2.13 -0.04 9.09 0.40 -0.46 -0.86 117.98 126.27 1a55 s PHE 257 Ca -0.09 -0.39 0.06 0.00 -0.60 0.00 0.00 56.93 55.90 1a55 s PHE 257 Cb -0.03 -1.06 -0.02 0.00 0.51 0.00 0.00 43.02 42.42 1a55 s PHE 257 CO 0.00 0.44 -0.21 0.42 0.70 0.00 0.00 175.22 176.57 1a55 s ILE 258 N -1.79 2.46 -0.15 0.64 -1.09 -0.05 -1.21 121.20 120.01 1a55 s ILE 258 Ca 0.19 -0.95 0.02 0.00 -2.23 0.00 0.00 60.65 57.68 1a55 s ILE 258 Cb -0.07 -1.90 0.01 0.00 -1.58 0.00 0.00 42.46 38.91 1a55 s ILE 258 CO 0.09 0.58 -0.21 -0.76 -1.23 0.00 0.00 174.94 173.41 1a55 s LEU 259 N -0.60 2.16 0.24 2.97 1.43 -0.45 -0.42 118.68 124.01 1a55 s LEU 259 Ca 0.09 -0.60 0.01 0.00 -1.03 0.00 0.00 54.13 52.61 1a55 s LEU 259 Cb -0.11 -1.47 -0.05 0.00 0.03 0.00 0.00 46.19 44.60 1a55 s LEU 259 CO 0.00 0.06 0.09 0.27 0.23 0.00 0.00 176.35 177.00 1a55 s ILE 260 N 0.91 0.54 0.36 -0.59 -4.36 -0.22 -1.20 121.20 116.63 1a55 s ILE 260 Ca -0.04 -2.00 -0.21 0.00 -0.26 0.00 0.00 60.65 58.14 1a55 s ILE 260 Cb -0.15 -2.56 -0.10 0.00 1.25 0.00 0.00 42.46 40.90 1a55 s ILE 260 CO -0.04 -0.06 0.88 -1.00 0.24 0.00 0.00 174.94 174.96 1a55 s HIS 261 N -3.77 3.45 -0.00 1.37 3.76 -1.26 0.18 115.29 119.01 1a55 s HIS 261 Ca 0.36 1.54 -0.04 0.00 -0.15 0.00 0.00 55.06 56.77 1a55 s HIS 261 Cb 0.08 -2.77 -0.28 0.00 1.11 0.00 0.00 32.58 30.71 1a55 s HIS 261 CO 0.12 0.06 0.84 0.87 -0.85 0.00 0.00 174.74 175.78 1a55 h LYS 262 N 2.45 0.27 -4.20 1.40 1.57 -1.29 -3.40 116.57 113.37 1a55 h LYS 262 Ca -0.48 -0.47 -0.74 0.00 -1.87 0.00 0.00 60.65 57.09 1a55 h LYS 262 Cb 1.18 0.17 -0.27 0.00 0.08 0.00 0.00 32.23 33.40 1a55 h LYS 262 CO 0.63 1.14 -0.31 0.34 -0.57 0.00 0.00 179.45 180.68 1a55 s ASP 263 N -7.03 5.93 -0.36 0.86 2.15 -1.26 -1.52 116.67 115.45 1a55 s ASP 263 Ca -0.10 -1.85 -0.24 0.00 0.43 0.00 0.00 52.55 50.79 1a55 s ASP 263 Cb 0.07 -2.10 0.01 0.00 -0.30 0.00 0.00 42.92 40.59 1a55 s ASP 263 CO 0.85 -0.77 0.82 -1.10 -0.17 0.00 0.00 175.17 174.81 1a55 s GLN 264 N 1.47 3.80 0.24 4.34 -1.52 0.86 -4.90 119.66 123.96 1a55 s GLN 264 Ca 0.04 0.42 0.21 0.00 -1.95 0.00 0.00 55.36 54.08 1a55 s GLN 264 Cb -0.28 -3.80 0.06 0.00 -0.22 0.00 0.00 33.01 28.78 1a55 s GLN 264 CO 0.01 -0.86 1.18 1.57 -0.25 0.00 0.00 175.29 176.94 1a55 h LYS 265 N 8.43 0.00 -3.08 2.91 5.09 -1.96 -3.25 116.57 124.71 1a55 h LYS 265 Ca -0.24 0.00 -0.62 0.00 0.09 0.00 0.00 60.65 59.88 1a55 h LYS 265 Cb 1.09 0.00 -0.41 0.00 0.10 0.00 0.00 32.23 33.01 1a55 h LYS 265 CO 0.93 0.10 -0.63 0.15 -2.09 0.00 0.00 179.45 177.91 1a55 s LYS 266 N -3.21 2.16 0.46 0.07 1.02 -1.26 -4.91 119.74 114.06 1a55 s LYS 266 Ca 0.01 -3.01 0.18 0.00 0.02 0.00 0.00 55.97 53.16 1a55 s LYS 266 Cb 0.08 -3.16 1.14 0.00 -0.52 0.00 0.00 37.83 35.37 1a55 s LYS 266 CO 0.76 -1.25 1.96 -1.00 -0.92 0.00 0.00 175.35 174.90 1a55 h PRO 267 N 5.72 0.29 -0.56 -1.68 0.13 -1.96 -2.14 132.00 131.81 1a55 h PRO 267 Ca 0.10 -0.02 -0.11 0.00 -0.87 0.00 0.00 66.00 65.10 1a55 h PRO 267 Cb 0.81 -0.07 -0.02 0.00 0.13 0.00 0.00 31.00 31.85 1a55 h PRO 267 CO 0.67 0.19 -0.10 0.93 -0.23 0.00 0.00 178.00 179.46 1a55 h GLU 268 N 0.30 1.05 0.32 0.86 3.07 -1.95 -1.08 114.58 117.15 1a55 h GLU 268 Ca 0.31 -0.38 -0.02 0.00 -0.50 0.00 0.00 59.36 58.77 1a55 h GLU 268 Cb 0.80 -0.07 0.00 0.00 -0.84 0.00 0.00 28.75 28.64 1a55 h GLU 268 CO -0.07 1.08 -0.15 1.96 -1.40 0.00 0.00 179.01 180.42 1a55 h GLN 269 N 0.93 -0.41 -0.54 2.33 1.08 -1.81 -3.01 115.11 113.67 1a55 h GLN 269 Ca 0.15 0.03 0.05 0.00 -1.45 0.00 0.00 58.65 57.42 1a55 h GLN 269 Cb 0.67 0.09 -0.05 0.00 -0.05 0.00 0.00 27.48 28.15 1a55 h GLN 269 CO 0.05 -0.16 0.27 0.78 -0.95 0.00 0.00 178.83 178.82 1a55 h GLY 270 N -0.63 0.77 0.93 3.46 0.00 -1.48 -2.09 103.07 104.03 1a55 h GLY 270 Ca -0.04 -0.18 0.02 0.00 0.00 0.00 0.00 47.33 47.12 1a55 h GLY 270 CO 0.07 0.11 0.57 -0.84 0.00 0.00 0.00 176.54 176.45 1a55 h THR 271 N 0.52 1.18 0.00 4.70 2.02 -1.25 -2.73 112.91 117.36 1a55 h THR 271 Ca 0.24 -0.39 -0.08 0.00 0.77 0.00 0.00 66.41 66.95 1a55 h THR 271 Cb 0.16 -0.05 -0.01 0.00 -1.74 0.00 0.00 68.15 66.51 1a55 h THR 271 CO -0.17 0.21 -0.39 -0.33 0.37 0.00 0.00 175.52 175.20 1a55 h GLU 272 N 1.13 0.00 -0.05 6.66 4.39 -1.36 -2.77 114.58 122.58 1a55 h GLU 272 Ca 0.34 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 60.00 1a55 h GLU 272 Cb -0.05 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.60 1a55 h GLU 272 CO -0.10 0.39 -0.11 0.28 -1.16 0.00 0.00 179.01 178.31 1a55 h VAL 273 N 0.00 1.43 -0.61 3.13 2.07 -1.25 -1.87 116.25 119.14 1a55 h VAL 273 Ca -0.00 -1.44 -0.02 0.00 0.82 0.00 0.00 66.70 66.06 1a55 h VAL 273 Cb 0.85 2.26 -0.03 0.00 -1.52 0.00 0.00 31.29 32.85 1a55 h VAL 273 CO 0.05 0.39 0.30 -0.07 0.02 0.00 0.00 177.57 178.27 1a55 h LEU 274 N -0.35 0.80 -1.36 2.57 3.38 -1.43 -2.88 115.31 116.05 1a55 h LEU 274 Ca 0.00 -0.13 0.01 0.00 0.09 0.00 0.00 57.88 57.86 1a55 h LEU 274 Cb 0.70 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.21 1a55 h LEU 274 CO 0.02 0.70 0.44 0.11 0.09 0.00 0.00 178.44 179.80 1a55 h LYS 275 N 0.84 0.85 0.40 1.13 1.57 -1.43 0.41 116.57 120.35 1a55 h LYS 275 Ca 0.21 -0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 58.92 1a55 h LYS 275 Cb 0.11 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 32.23 1a55 h LYS 275 CO -0.03 0.57 -0.19 0.35 -0.57 0.00 0.00 179.45 179.57 1a55 h PHE 276 N 0.88 -0.50 -0.22 -1.35 3.57 -1.15 0.20 116.94 118.38 1a55 h PHE 276 Ca 0.25 -0.01 -0.13 0.00 3.53 0.00 0.00 57.97 61.61 1a55 h PHE 276 Cb -0.07 0.17 -0.01 0.00 2.79 0.00 0.00 35.95 38.83 1a55 h PHE 276 CO -0.00 -0.23 -0.40 0.74 -2.23 0.00 0.00 178.31 176.18 1a55 h PHE 277 N -0.69 0.59 -0.02 0.41 0.04 -1.30 0.88 116.94 116.86 1a55 h PHE 277 Ca -0.06 -0.17 0.01 0.00 2.80 0.00 0.00 57.97 60.55 1a55 h PHE 277 Cb 0.49 -0.13 -0.01 0.00 2.20 0.00 0.00 35.95 38.51 1a55 h PHE 277 CO -0.01 0.83 -0.01 0.22 -0.60 0.00 0.00 178.31 178.73 1a55 h ASP 278 N 0.41 -0.05 -0.46 2.17 3.58 -0.10 -0.45 116.42 121.53 1a55 h ASP 278 Ca 0.04 0.01 0.09 0.00 0.42 0.00 0.00 57.03 57.59 1a55 h ASP 278 Cb 0.89 0.02 -0.08 0.00 1.72 0.00 0.00 39.33 41.88 1a55 h ASP 278 CO 0.08 -0.02 -0.10 -0.25 -2.88 0.00 0.00 179.24 176.07 1a55 h TRP 279 N -0.02 -0.21 -0.83 0.28 7.01 -0.16 -1.19 115.95 120.84 1a55 h TRP 279 Ca 0.01 0.04 0.06 0.00 2.11 0.00 0.00 58.89 61.12 1a55 h TRP 279 Cb 0.04 0.16 -0.05 0.00 -2.10 0.00 0.00 29.16 27.21 1a55 h TRP 279 CO -0.10 -0.18 0.54 0.00 -2.79 0.00 0.00 178.44 175.91 1a55 h ALA 280 N 1.45 1.59 -0.17 2.65 0.00 -0.44 -0.11 119.26 124.21 1a55 h ALA 280 Ca 0.22 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 55.01 1a55 h ALA 280 Cb 0.34 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 1a55 h ALA 280 CO -0.46 0.29 -0.27 1.88 0.00 0.00 0.00 179.25 180.69 1a55 h TYR 281 N 0.92 0.61 -0.07 0.00 0.05 -0.25 -0.48 116.97 117.75 1a55 h TYR 281 Ca 0.36 -0.21 -0.01 0.00 0.05 0.00 0.00 58.73 58.92 1a55 h TYR 281 Cb 0.22 -0.12 -0.00 0.00 1.01 0.00 0.00 36.73 37.84 1a55 h TYR 281 CO -0.00 0.91 0.02 0.87 -1.05 0.00 0.00 178.16 178.91 1a55 h LYS 282 N 0.14 0.11 0.00 4.88 1.57 -1.01 -3.40 116.57 118.85 1a55 h LYS 282 Ca 0.01 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1a55 h LYS 282 Cb 0.85 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.15 1a55 h LYS 282 CO 0.06 0.28 0.00 0.25 -0.57 0.00 0.00 179.45 179.48 1a55 n THR 283 N -4.92 0.00 1.37 -0.16 -2.24 -0.08 -4.80 114.28 103.46 1a55 n THR 283 Ca -0.06 -0.36 0.13 0.00 -2.27 0.00 0.00 64.05 61.49 1a55 n THR 283 Cb 0.13 1.21 0.42 0.00 -2.10 0.00 0.00 70.33 70.00 1a55 n THR 283 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1a55 n GLY 284 N 0.18 0.13 0.20 3.38 0.00 -0.19 -4.58 105.19 104.31 1a55 n GLY 284 Ca 0.00 -0.49 0.06 0.00 0.00 0.00 0.00 46.02 45.59 1a55 n GLY 284 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a55 h ALA 285 N 4.34 1.15 -0.06 4.61 0.00 -1.84 -2.17 119.26 125.29 1a55 h ALA 285 Ca 0.00 -0.29 -0.04 0.00 0.00 0.00 0.00 54.91 54.58 1a55 h ALA 285 Cb 0.60 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.34 1a55 h ALA 285 CO 0.00 0.40 -0.10 -0.22 0.00 0.00 0.00 179.25 179.33 1a55 h LYS 286 N 0.00 0.18 -0.89 0.00 1.63 -1.96 -1.44 116.57 114.08 1a55 h LYS 286 Ca -0.00 -0.11 0.01 0.00 -0.85 0.00 0.00 60.65 59.70 1a55 h LYS 286 Cb 0.72 0.01 -0.05 0.00 -0.60 0.00 0.00 32.23 32.31 1a55 h LYS 286 CO 0.04 0.68 0.59 1.96 -3.45 0.00 0.00 179.45 179.27 1a55 h GLN 287 N -0.31 1.17 -0.67 1.90 4.20 -1.74 0.17 115.11 119.84 1a55 h GLN 287 Ca 0.00 -0.07 -0.02 0.00 0.06 0.00 0.00 58.65 58.62 1a55 h GLN 287 Cb 0.66 -0.26 -0.03 0.00 0.30 0.00 0.00 27.48 28.15 1a55 h GLN 287 CO 0.02 0.77 0.34 0.00 -0.67 0.00 0.00 178.83 179.30 1a55 h ALA 288 N 1.33 0.86 -0.05 3.87 0.00 -1.39 -2.25 119.26 121.63 1a55 h ALA 288 Ca 0.33 -0.13 -0.16 0.00 0.00 0.00 0.00 54.91 54.95 1a55 h ALA 288 Cb -0.13 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.38 1a55 h ALA 288 CO -0.08 0.40 -0.68 -0.91 0.00 0.00 0.00 179.25 177.99 1a55 h ASN 289 N 0.92 0.25 0.34 0.00 -0.26 -0.11 0.73 115.58 117.46 1a55 h ASN 289 Ca 0.23 -0.16 -0.03 0.00 -0.56 0.00 0.00 56.30 55.79 1a55 h ASN 289 Cb 0.09 -0.07 -0.00 0.00 -1.06 0.00 0.00 38.32 37.27 1a55 h ASN 289 CO -0.03 0.86 -0.12 0.44 -1.06 0.00 0.00 177.43 177.51 1a55 h ASP 290 N 0.15 0.00 -0.56 5.81 3.32 -0.13 -2.16 116.42 122.84 1a55 h ASP 290 Ca -0.02 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.03 1a55 h ASP 290 Cb 1.22 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.77 1a55 h ASP 290 CO 0.10 0.12 0.00 0.18 -1.72 0.00 0.00 179.24 177.93 1a55 n LEU 291 N -3.72 5.25 -2.47 1.55 4.77 -0.47 -4.91 117.00 117.00 1a55 n LEU 291 Ca -0.02 -2.80 -0.20 0.00 -0.03 0.00 0.00 56.01 52.96 1a55 n LEU 291 Cb 0.24 -0.64 -0.01 0.00 -2.33 0.00 0.00 43.42 40.68 1a55 n LEU 291 CO 0.31 0.69 -0.23 0.47 -1.33 0.00 0.00 177.39 177.29 1a55 n ASP 292 N 0.64 -5.71 -4.84 -1.43 8.00 -0.81 -4.58 116.55 107.81 1a55 n ASP 292 Ca 0.26 -0.02 -0.37 0.00 0.71 0.00 0.00 54.79 55.37 1a55 n ASP 292 Cb 1.08 -4.75 -0.06 0.00 -0.02 0.00 0.00 41.12 37.36 1a55 n ASP 292 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 1a55 s TYR 293 N -3.01 3.65 0.36 1.24 1.51 0.13 -4.38 117.35 116.85 1a55 s TYR 293 Ca 0.03 0.75 -0.14 0.00 -1.01 0.00 0.00 57.07 56.70 1a55 s TYR 293 Cb -0.01 -2.14 -0.08 0.00 -0.11 0.00 0.00 41.96 39.61 1a55 s TYR 293 CO 0.04 0.64 0.77 0.00 -1.11 0.00 0.00 175.55 175.89 1a55 s ALA 294 N -0.90 3.29 0.33 3.71 0.00 -0.43 -3.48 121.76 124.29 1a55 s ALA 294 Ca 0.19 0.01 0.02 0.00 0.00 0.00 0.00 51.96 52.18 1a55 s ALA 294 Cb -0.14 -2.80 -0.03 0.00 0.00 0.00 0.00 23.12 20.15 1a55 s ALA 294 CO 0.08 0.20 0.51 -1.12 0.00 0.00 0.00 175.76 175.44 1a55 s SER 295 N -2.53 6.26 0.56 0.00 0.01 -1.26 -1.73 113.70 115.00 1a55 s SER 295 Ca 0.54 0.33 -0.19 0.00 1.31 0.00 0.00 55.95 57.94 1a55 s SER 295 Cb -0.10 -1.93 -0.05 0.00 0.21 0.00 0.00 66.02 64.15 1a55 s SER 295 CO 0.21 -0.28 1.16 -0.76 0.41 0.00 0.00 173.24 173.98 1a55 s LEU 296 N -4.25 3.71 0.77 2.44 1.43 -1.26 -4.84 118.68 116.67 1a55 s LEU 296 Ca 0.39 2.25 -0.11 0.00 -1.03 0.00 0.00 54.13 55.63 1a55 s LEU 296 Cb -0.09 -4.59 0.05 0.00 0.03 0.00 0.00 46.19 41.59 1a55 s LEU 296 CO 0.34 -1.37 1.10 -2.84 0.23 0.00 0.00 176.35 173.81 1a55 s PRO 297 N -3.33 2.27 0.17 1.29 0.02 -1.26 -4.89 135.00 129.28 1a55 s PRO 297 Ca 0.74 1.21 -0.10 0.00 0.02 0.00 0.00 61.00 62.87 1a55 s PRO 297 Cb -0.26 -1.90 0.06 0.00 0.02 0.00 0.00 34.50 32.42 1a55 s PRO 297 CO 0.30 -1.64 1.64 -0.44 -0.33 0.00 0.00 177.00 176.53 1a55 h ASP 298 N -1.03 1.00 -0.94 2.53 3.32 -2.00 -2.10 116.42 117.20 1a55 h ASP 298 Ca -0.44 -0.29 0.03 0.00 0.02 0.00 0.00 57.03 56.35 1a55 h ASP 298 Cb 1.23 -0.27 -0.05 0.00 0.22 0.00 0.00 39.33 40.46 1a55 h ASP 298 CO 0.51 1.04 0.62 0.77 -1.72 0.00 0.00 179.24 180.46 1a55 h SER 299 N 0.92 1.04 -0.22 6.45 4.64 -1.99 -1.01 113.55 123.38 1a55 h SER 299 Ca 0.17 -0.01 -0.01 0.00 -0.47 0.00 0.00 61.79 61.47 1a55 h SER 299 Cb 0.51 -0.24 -0.01 0.00 -0.31 0.00 0.00 62.40 62.35 1a55 h SER 299 CO 0.02 0.73 0.09 0.58 -0.87 0.00 0.00 176.83 177.39 1a55 h VAL 300 N 1.22 1.16 -0.76 0.95 2.07 -1.75 -1.21 116.25 117.92 1a55 h VAL 300 Ca 0.37 -0.47 0.02 0.00 0.82 0.00 0.00 66.70 67.44 1a55 h VAL 300 Cb -0.04 1.06 -0.04 0.00 -1.52 0.00 0.00 31.29 30.74 1a55 h VAL 300 CO -0.11 0.15 0.50 0.58 0.02 0.00 0.00 177.57 178.72 1a55 h VAL 301 N 0.21 1.16 -0.80 2.57 2.07 -1.31 -0.08 116.25 120.06 1a55 h VAL 301 Ca 0.07 -0.34 -0.04 0.00 0.82 0.00 0.00 66.70 67.21 1a55 h VAL 301 Cb 0.16 0.09 -0.04 0.00 -1.52 0.00 0.00 31.29 29.98 1a55 h VAL 301 CO -0.01 0.18 0.33 -0.33 0.02 0.00 0.00 177.57 177.76 1a55 h GLU 302 N 0.98 1.20 0.01 1.57 4.39 -0.92 -1.64 114.58 120.17 1a55 h GLU 302 Ca 0.29 -0.21 0.03 0.00 0.34 0.00 0.00 59.36 59.81 1a55 h GLU 302 Cb -0.04 -0.20 -0.04 0.00 -0.10 0.00 0.00 28.75 28.38 1a55 h GLU 302 CO -0.07 0.96 -0.21 1.96 -1.16 0.00 0.00 179.01 180.49 1a55 h GLN 303 N 1.17 -0.33 -0.72 2.33 4.20 0.09 -2.01 115.11 119.85 1a55 h GLN 303 Ca 0.27 0.02 0.02 0.00 0.06 0.00 0.00 58.65 59.03 1a55 h GLN 303 Cb 0.21 0.07 -0.04 0.00 0.30 0.00 0.00 27.48 28.02 1a55 h GLN 303 CO -0.02 -0.22 0.46 0.28 -0.67 0.00 0.00 178.83 178.66 1a55 h VAL 304 N -0.34 1.12 -0.99 -0.54 2.07 -0.41 -1.68 116.25 115.48 1a55 h VAL 304 Ca 0.06 -0.31 0.03 0.00 0.82 0.00 0.00 66.70 67.29 1a55 h VAL 304 Cb 0.41 0.14 -0.05 0.00 -1.52 0.00 0.00 31.29 30.26 1a55 h VAL 304 CO -0.19 0.17 0.65 0.03 0.02 0.00 0.00 177.57 178.25 1a55 h ARG 305 N 0.91 1.26 -0.23 1.57 3.08 -1.20 0.21 114.38 119.98 1a55 h ARG 305 Ca 0.28 -0.08 -0.10 0.00 0.07 0.00 0.00 59.98 60.15 1a55 h ARG 305 Cb -0.02 -0.28 -0.01 0.00 0.08 0.00 0.00 29.97 29.74 1a55 h ARG 305 CO -0.10 0.83 -0.30 0.00 -1.07 0.00 0.00 179.97 179.33 1a55 h ALA 306 N 1.39 1.05 0.00 0.04 0.00 -1.02 -2.60 119.26 118.11 1a55 h ALA 306 Ca 0.38 -0.37 -0.20 0.00 0.00 0.00 0.00 54.91 54.72 1a55 h ALA 306 Cb -0.07 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 1a55 h ALA 306 CO -0.11 0.58 -1.08 0.00 0.00 0.00 0.00 179.25 178.65 1a55 h ALA 307 N 1.27 0.55 0.32 0.00 0.00 -0.88 -3.00 119.26 117.53 1a55 h ALA 307 Ca 0.05 -0.90 -0.02 0.00 0.00 0.00 0.00 54.91 54.04 1a55 h ALA 307 Cb 0.74 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.57 1a55 h ALA 307 CO 0.06 1.12 -0.15 -1.49 0.00 0.00 0.00 179.25 178.79 1a55 h TRP 308 N 0.00 -0.40 -0.44 0.00 6.55 -0.23 -1.94 115.95 119.48 1a55 h TRP 308 Ca -0.08 -0.01 0.13 0.00 0.95 0.00 0.00 58.89 59.88 1a55 h TRP 308 Cb 1.70 0.13 -0.02 0.00 -0.86 0.00 0.00 29.16 30.12 1a55 h TRP 308 CO 0.00 -0.23 0.33 0.87 -1.05 0.00 0.00 178.44 178.36 1a55 h LYS 309 N -0.45 0.00 0.08 0.49 1.57 -1.45 -2.18 116.57 114.61 1a55 h LYS 309 Ca -0.04 0.00 -0.35 0.00 -1.87 0.00 0.00 60.65 58.38 1a55 h LYS 309 Cb 0.35 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.62 1a55 h LYS 309 CO 0.07 0.00 -2.00 2.41 -0.57 0.00 0.00 179.45 179.36 1a55 n THR 310 N -4.31 1.69 -0.13 -0.16 -1.04 -1.13 -4.76 114.28 104.44 1a55 n THR 310 Ca 0.08 -0.69 -0.17 0.00 -2.04 0.00 0.00 64.05 61.23 1a55 n THR 310 Cb 0.54 -1.47 -0.12 0.00 -1.82 0.00 0.00 70.33 67.45 1a55 n THR 310 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 1a55 n ASN 311 N -3.32 1.81 -4.57 8.00 3.02 -0.74 -4.93 115.26 114.53 1a55 n ASN 311 Ca -0.30 -0.13 -0.42 0.00 -0.03 0.00 0.00 54.58 53.70 1a55 n ASN 311 Cb 1.05 -0.28 -0.06 0.00 -0.61 0.00 0.00 39.78 39.88 1a55 n ASN 311 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1a55 s ILE 312 N -2.51 4.74 0.15 2.41 -1.09 -0.82 -4.69 121.20 119.39 1a55 s ILE 312 Ca -0.33 0.69 0.01 0.00 -2.23 0.00 0.00 60.65 58.80 1a55 s ILE 312 Cb 0.09 -4.21 -0.04 0.00 -1.58 0.00 0.00 42.46 36.71 1a55 s ILE 312 CO 0.62 -0.49 0.00 -0.54 -1.23 0.00 0.00 174.94 173.31 1a55 s LYS 313 N 3.07 1.03 0.59 2.79 1.02 -0.57 -1.81 119.74 125.84 1a55 s LYS 313 Ca 0.29 -1.48 -0.01 0.00 0.02 0.00 0.00 55.97 54.79 1a55 s LYS 313 Cb -0.13 -0.14 0.12 0.00 -0.52 0.00 0.00 37.83 37.15 1a55 s LYS 313 CO 0.18 -0.14 0.80 -0.40 -0.92 0.00 0.00 175.35 174.87 1a55 n ASP 314 N -0.18 0.95 -0.20 2.83 5.68 -0.48 -0.10 116.55 125.06 1a55 n ASP 314 Ca -0.07 -1.83 0.00 0.00 -0.50 0.00 0.00 54.79 52.39 1a55 n ASP 314 Cb 0.63 -0.53 0.00 0.00 -1.14 0.00 0.00 41.12 40.08 1a55 n ASP 314 CO 0.00 0.00 0.00 -1.54 -1.33 0.00 0.00 177.20 174.33 1a55 n SER 315 N -3.00 0.28 -0.04 -1.12 3.41 -1.23 -2.07 113.62 109.85 1a55 n SER 315 Ca 0.13 -1.45 0.00 0.00 -0.26 0.00 0.00 58.87 57.29 1a55 n SER 315 Cb 0.46 -0.14 0.01 0.00 -0.26 0.00 0.00 64.21 64.27 1a55 n SER 315 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1a55 n SER 316 N -0.25 1.28 0.00 4.04 7.64 -1.26 -4.98 113.62 120.09 1a55 n SER 316 Ca 0.00 -1.24 0.00 0.00 1.01 0.00 0.00 58.87 58.64 1a55 n SER 316 Cb 0.07 -0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.27 1a55 n SER 316 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1a55 n GLY 317 N -0.05 1.07 3.71 0.23 0.00 -0.88 -5.04 105.19 104.24 1a55 n GLY 317 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 1a55 n GLY 317 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1a55 s LYS 318 N -0.56 4.59 0.70 1.61 -0.14 -1.26 -4.76 119.74 119.92 1a55 s LYS 318 Ca 0.00 1.44 -0.16 0.00 -1.36 0.00 0.00 55.97 55.88 1a55 s LYS 318 Cb 0.00 -3.44 0.02 0.00 -1.68 0.00 0.00 37.83 32.73 1a55 s LYS 318 CO 0.00 0.01 1.26 -2.14 -0.76 0.00 0.00 175.35 173.72 1a55 s PRO 319 N 0.77 2.25 0.00 -1.68 0.02 -1.26 -1.38 135.00 133.72 1a55 s PRO 319 Ca 0.51 1.95 0.17 0.00 0.02 0.00 0.00 61.00 63.65 1a55 s PRO 319 Cb -0.22 -1.82 -0.01 0.00 0.02 0.00 0.00 34.50 32.47 1a55 s PRO 319 CO 0.28 -1.79 0.88 1.28 -0.33 0.00 0.00 177.00 177.32 1a55 n LEU 320 N -2.38 1.67 0.00 -5.54 4.77 -0.75 -4.80 117.00 109.97 1a55 n LEU 320 Ca 0.15 -0.76 0.00 0.00 -0.03 0.00 0.00 56.01 55.37 1a55 n LEU 320 Cb 0.49 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.58 1a55 n LEU 320 CO 0.47 0.32 0.00 0.00 -1.33 0.00 0.00 177.39 176.85