#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a54 s ALA 2 N 0.00 2.99 -0.36 4.31 0.00 -1.26 -4.99 121.76 122.45 1a54 s ALA 2 Ca 0.00 -1.64 -0.05 0.00 0.00 0.00 0.00 51.96 50.27 1a54 s ALA 2 Cb 0.00 -0.65 0.07 0.00 0.00 0.00 0.00 23.12 22.54 1a54 s ALA 2 CO 0.00 0.34 0.14 -1.12 0.00 0.00 0.00 175.76 175.12 1a54 s SER 3 N -3.33 5.28 0.09 0.00 0.01 -1.26 -0.88 113.70 113.61 1a54 s SER 3 Ca 0.29 -1.44 0.04 0.00 1.31 0.00 0.00 55.95 56.14 1a54 s SER 3 Cb -0.07 -1.85 -0.04 0.00 0.21 0.00 0.00 66.02 64.27 1a54 s SER 3 CO 0.17 -0.41 0.07 -0.76 0.41 0.00 0.00 173.24 172.73 1a54 s LEU 4 N 1.32 3.74 -0.06 2.44 1.43 0.87 -5.00 118.68 123.41 1a54 s LEU 4 Ca 0.01 -0.05 0.05 0.00 -1.03 0.00 0.00 54.13 53.10 1a54 s LEU 4 Cb -0.21 -2.43 -0.00 0.00 0.03 0.00 0.00 46.19 43.58 1a54 s LEU 4 CO 0.00 0.16 -0.21 0.42 0.23 0.00 0.00 176.35 176.95 1a54 s THR 5 N -1.42 1.76 0.12 5.49 -4.23 -1.26 -0.60 115.64 115.51 1a54 s THR 5 Ca 0.29 -0.88 0.04 0.00 -1.18 0.00 0.00 61.69 59.95 1a54 s THR 5 Cb -0.12 -1.52 -0.04 0.00 1.34 0.00 0.00 72.50 72.16 1a54 s THR 5 CO 0.22 0.50 -0.09 -0.83 -0.54 0.00 0.00 174.62 173.87 1a54 s GLY 6 N 0.12 0.94 -0.01 3.99 0.00 0.03 -0.56 107.32 111.83 1a54 s GLY 6 Ca -0.09 -1.38 -0.18 0.00 0.00 0.00 0.00 44.72 43.07 1a54 s GLY 6 CO 0.05 -1.48 0.39 0.00 0.00 0.00 0.00 173.10 172.06 1a54 s ALA 7 N -3.18 -0.99 0.00 3.20 0.00 -0.87 -1.49 121.76 118.44 1a54 s ALA 7 Ca 0.13 0.49 0.00 0.00 0.00 0.00 0.00 51.96 52.58 1a54 s ALA 7 Cb 0.02 0.11 0.00 0.00 0.00 0.00 0.00 23.12 23.24 1a54 s ALA 7 CO -0.01 -0.31 0.00 0.41 0.00 0.00 0.00 175.76 175.85 1a54 n GLY 8 N 1.08 0.38 3.51 0.00 0.00 -0.04 -0.86 105.19 109.25 1a54 n GLY 8 Ca -0.21 -1.21 -0.54 0.00 0.00 0.00 0.00 46.02 44.07 1a54 n GLY 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a54 n ALA 9 N -0.89 -2.57 0.36 4.61 0.00 -0.10 -0.81 120.51 121.10 1a54 n ALA 9 Ca 0.00 0.53 0.12 0.00 0.00 0.00 0.00 53.44 54.09 1a54 n ALA 9 Cb 0.00 -1.83 0.15 0.00 0.00 0.00 0.00 19.45 17.78 1a54 n ALA 9 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 1a54 h THR 10 N 2.58 0.00 -0.67 0.00 1.35 -1.89 -3.35 112.91 110.93 1a54 h THR 10 Ca -0.44 -0.75 0.14 0.00 -0.55 0.00 0.00 66.41 64.80 1a54 h THR 10 Cb 1.40 1.46 -0.10 0.00 -1.73 0.00 0.00 68.15 69.18 1a54 h THR 10 CO 0.66 0.00 0.12 0.15 -0.25 0.00 0.00 175.52 176.20 1a54 h PHE 11 N 0.00 0.18 -0.49 4.73 3.04 -2.01 -1.52 116.94 120.88 1a54 h PHE 11 Ca 0.00 0.04 0.00 0.00 3.98 0.00 0.00 57.97 61.99 1a54 h PHE 11 Cb 0.88 0.02 0.00 0.00 2.56 0.00 0.00 35.95 39.41 1a54 h PHE 11 CO 0.00 -0.08 0.00 -0.35 -2.02 0.00 0.00 178.31 175.86 1a54 n PRO 12 N -5.17 2.54 -0.18 6.41 -0.04 -1.26 -4.68 135.00 132.61 1a54 n PRO 12 Ca 0.11 -2.33 0.10 0.00 -0.04 0.00 0.00 63.50 61.34 1a54 n PRO 12 Cb 0.39 -1.48 0.41 0.00 -0.04 0.00 0.00 33.50 32.78 1a54 n PRO 12 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1a54 h ALA 13 N 3.91 1.86 -0.34 0.55 0.00 -1.40 -0.53 119.26 123.31 1a54 h ALA 13 Ca 0.00 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.92 1a54 h ALA 13 Cb 0.92 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.55 1a54 h ALA 13 CO 0.00 -0.02 0.17 -1.35 0.00 0.00 0.00 179.25 178.05 1a54 h PRO 14 N 0.62 0.35 -0.08 0.00 0.11 -1.83 0.16 132.00 131.32 1a54 h PRO 14 Ca 0.35 -0.02 -0.19 0.00 0.11 0.00 0.00 66.00 66.25 1a54 h PRO 14 Cb 0.52 -0.08 -0.00 0.00 0.11 0.00 0.00 31.00 31.54 1a54 h PRO 14 CO -0.12 0.23 -0.73 -0.39 -0.21 0.00 0.00 178.00 176.78 1a54 h VAL 15 N 0.36 1.37 -0.15 3.15 -1.51 -1.68 -1.46 116.25 116.34 1a54 h VAL 15 Ca 0.14 -2.13 -0.06 0.00 -1.23 0.00 0.00 66.70 63.42 1a54 h VAL 15 Cb 0.04 2.10 -0.01 0.00 -2.13 0.00 0.00 31.29 31.29 1a54 h VAL 15 CO -0.09 0.64 -0.18 1.88 -1.23 0.00 0.00 177.57 178.60 1a54 h TYR 16 N 0.29 0.27 -0.30 5.19 0.05 -0.76 0.34 116.97 122.05 1a54 h TYR 16 Ca -0.03 -0.04 -0.18 0.00 0.05 0.00 0.00 58.73 58.53 1a54 h TYR 16 Cb 1.31 -0.07 -0.00 0.00 1.01 0.00 0.00 36.73 38.97 1a54 h TYR 16 CO 0.05 0.42 -0.54 0.00 -1.05 0.00 0.00 178.16 177.04 1a54 h ALA 17 N 1.59 0.48 -0.17 3.88 0.00 -0.58 -0.71 119.26 123.75 1a54 h ALA 17 Ca 0.04 -0.51 -0.01 0.00 0.00 0.00 0.00 54.91 54.43 1a54 h ALA 17 Cb 0.46 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 1a54 h ALA 17 CO 0.03 0.68 0.05 -0.22 0.00 0.00 0.00 179.25 179.79 1a54 h LYS 18 N 0.68 0.26 -0.75 0.00 1.63 -0.86 -1.04 116.57 116.49 1a54 h LYS 18 Ca 0.02 -0.06 0.02 0.00 -0.85 0.00 0.00 60.65 59.77 1a54 h LYS 18 Cb 1.14 -0.04 -0.04 0.00 -0.60 0.00 0.00 32.23 32.70 1a54 h LYS 18 CO 0.12 0.40 0.49 -1.49 -3.45 0.00 0.00 179.45 175.51 1a54 h TRP 19 N 0.08 0.92 -0.07 1.91 6.55 -0.91 -0.95 115.95 123.49 1a54 h TRP 19 Ca 0.05 0.02 0.00 0.00 0.95 0.00 0.00 58.89 59.92 1a54 h TRP 19 Cb 0.25 -0.31 -0.01 0.00 -0.86 0.00 0.00 29.16 28.23 1a54 h TRP 19 CO 0.00 0.56 0.03 0.00 -1.05 0.00 0.00 178.44 177.98 1a54 h ALA 20 N 1.29 0.08 -0.33 1.49 0.00 -0.93 0.26 119.26 121.11 1a54 h ALA 20 Ca 0.28 0.00 0.01 0.00 0.00 0.00 0.00 54.91 55.20 1a54 h ALA 20 Cb -0.07 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 1a54 h ALA 20 CO -0.08 -0.44 0.21 0.22 0.00 0.00 0.00 179.25 179.16 1a54 h ASP 21 N 0.07 0.36 -0.47 0.00 3.58 -0.81 -0.77 116.42 118.38 1a54 h ASP 21 Ca 0.03 -0.01 -0.12 0.00 0.42 0.00 0.00 57.03 57.35 1a54 h ASP 21 Cb 0.01 -0.09 -0.02 0.00 1.72 0.00 0.00 39.33 40.96 1a54 h ASP 21 CO -0.02 0.26 -0.15 0.74 -2.88 0.00 0.00 179.24 177.19 1a54 h THR 22 N 0.43 1.27 -0.32 2.25 2.02 -0.94 -1.78 112.91 115.84 1a54 h THR 22 Ca 0.12 -1.29 -0.11 0.00 0.77 0.00 0.00 66.41 65.90 1a54 h THR 22 Cb -0.04 1.04 -0.01 0.00 -1.74 0.00 0.00 68.15 67.40 1a54 h THR 22 CO -0.04 0.45 -0.27 0.22 0.37 0.00 0.00 175.52 176.26 1a54 h TYR 23 N 0.85 0.73 -0.63 3.16 3.20 -0.31 -1.37 116.97 122.60 1a54 h TYR 23 Ca 0.13 -0.17 -0.09 0.00 3.14 0.00 0.00 58.73 61.74 1a54 h TYR 23 Cb 0.70 -0.17 -0.02 0.00 1.54 0.00 0.00 36.73 38.78 1a54 h TYR 23 CO 0.04 0.84 0.06 0.37 -1.64 0.00 0.00 178.16 177.83 1a54 h GLN 24 N 0.55 1.07 -0.59 1.82 4.15 -0.94 0.57 115.11 121.74 1a54 h GLN 24 Ca 0.07 -0.31 -0.04 0.00 0.77 0.00 0.00 58.65 59.15 1a54 h GLN 24 Cb 0.74 -0.12 -0.03 0.00 0.21 0.00 0.00 27.48 28.29 1a54 h GLN 24 CO 0.06 1.01 0.20 0.87 -1.93 0.00 0.00 178.83 179.04 1a54 h LYS 25 N 0.99 0.88 0.01 1.69 1.57 -0.64 -0.09 116.57 120.99 1a54 h LYS 25 Ca 0.19 -0.16 -0.27 0.00 -1.87 0.00 0.00 60.65 58.54 1a54 h LYS 25 Cb 0.49 -0.14 -0.04 0.00 0.08 0.00 0.00 32.23 32.61 1a54 h LYS 25 CO 0.02 0.75 -1.53 0.93 -0.57 0.00 0.00 179.45 179.05 1a54 h GLU 26 N 0.86 0.03 0.00 3.15 5.08 -1.09 -3.42 114.58 119.20 1a54 h GLU 26 Ca 0.20 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.51 1a54 h GLU 26 Cb 0.23 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.49 1a54 h GLU 26 CO -0.01 0.70 -0.60 0.25 -1.00 0.00 0.00 179.01 178.34 1a54 n THR 27 N -3.17 0.00 0.00 1.13 -2.24 0.17 -5.02 114.28 105.16 1a54 n THR 27 Ca -0.13 -0.10 0.00 0.00 -2.27 0.00 0.00 64.05 61.55 1a54 n THR 27 Cb 1.02 0.56 0.00 0.00 -2.10 0.00 0.00 70.33 69.81 1a54 n THR 27 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1a54 n GLY 28 N 1.70 3.15 3.76 3.38 0.00 -0.05 -4.81 105.19 112.32 1a54 n GLY 28 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 1a54 n GLY 28 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1a54 s ASN 29 N -1.11 5.65 -0.16 1.61 0.01 -1.26 -4.72 114.94 114.96 1a54 s ASN 29 Ca 0.00 2.56 -0.01 0.00 -0.71 0.00 0.00 52.86 54.70 1a54 s ASN 29 Cb 0.00 -2.62 -0.01 0.00 0.41 0.00 0.00 41.25 39.03 1a54 s ASN 29 CO 0.00 -1.29 -0.13 -0.54 -1.51 0.00 0.00 177.10 173.63 1a54 s LYS 30 N -2.83 3.29 -0.15 -0.60 1.02 -0.06 -3.33 119.74 117.08 1a54 s LYS 30 Ca 0.68 -0.71 0.02 0.00 0.02 0.00 0.00 55.97 55.98 1a54 s LYS 30 Cb -0.35 -2.69 0.01 0.00 -0.52 0.00 0.00 37.83 34.28 1a54 s LYS 30 CO 0.42 0.03 -0.20 0.08 -0.92 0.00 0.00 175.35 174.75 1a54 s VAL 31 N 0.81 1.97 -0.24 3.17 1.01 -1.26 -0.09 120.40 125.77 1a54 s VAL 31 Ca -0.04 -0.91 -0.07 0.00 0.00 0.00 0.00 61.98 60.96 1a54 s VAL 31 Cb -0.15 -1.76 -0.03 0.00 0.00 0.00 0.00 36.38 34.44 1a54 s VAL 31 CO 0.00 0.53 0.05 0.21 0.00 0.00 0.00 175.10 175.89 1a54 s ASN 32 N 1.01 5.02 -0.14 3.32 3.84 0.23 -4.93 114.94 123.29 1a54 s ASN 32 Ca -0.03 -0.22 0.02 0.00 0.21 0.00 0.00 52.86 52.84 1a54 s ASN 32 Cb -0.15 -1.89 0.01 0.00 -0.55 0.00 0.00 41.25 38.67 1a54 s ASN 32 CO -0.06 -0.02 -0.20 -0.47 -2.79 0.00 0.00 177.10 173.57 1a54 s TYR 33 N 1.50 2.52 -0.31 0.43 5.04 -1.26 -0.79 117.35 124.48 1a54 s TYR 33 Ca 0.06 -1.28 -0.11 0.00 -2.44 0.00 0.00 57.07 53.30 1a54 s TYR 33 Cb -0.15 -1.73 -0.02 0.00 0.35 0.00 0.00 41.96 40.41 1a54 s TYR 33 CO 0.03 -0.60 0.18 -0.65 -1.34 0.00 0.00 175.55 173.16 1a54 s GLN 34 N 0.91 3.51 -0.75 4.97 -1.52 -0.55 -4.99 119.66 121.24 1a54 s GLN 34 Ca -0.06 -0.61 -0.22 0.00 -1.95 0.00 0.00 55.36 52.52 1a54 s GLN 34 Cb -0.15 -3.65 0.08 0.00 -0.22 0.00 0.00 33.01 29.07 1a54 s GLN 34 CO -0.03 -0.37 1.05 0.20 -0.25 0.00 0.00 175.29 175.89 1a54 s GLY 35 N 1.67 1.47 0.00 3.09 0.00 -1.26 -0.86 107.32 111.43 1a54 s GLY 35 Ca 0.06 -2.07 0.02 0.00 0.00 0.00 0.00 44.72 42.72 1a54 s GLY 35 CO 0.08 2.12 0.71 0.29 0.00 0.00 0.00 173.10 176.30 1a54 n ILE 36 N 5.91 0.30 0.00 0.90 -5.35 -0.52 -4.87 119.36 115.72 1a54 n ILE 36 Ca 0.06 -0.65 0.00 0.00 -0.27 0.00 0.00 62.75 61.89 1a54 n ILE 36 Cb 0.47 0.88 0.00 0.00 -1.74 0.00 0.00 39.64 39.25 1a54 n ILE 36 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1a54 n GLY 37 N -0.01 0.74 0.37 3.28 0.00 0.01 -4.42 105.19 105.16 1a54 n GLY 37 Ca 0.01 -1.60 0.01 0.00 0.00 0.00 0.00 46.02 44.44 1a54 n GLY 37 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1a54 h SER 38 N 0.00 1.02 -0.67 1.61 0.02 -1.76 -0.67 113.55 113.10 1a54 h SER 38 Ca 0.00 -0.01 -0.07 0.00 -0.84 0.00 0.00 61.79 60.87 1a54 h SER 38 Cb 0.00 -0.24 -0.03 0.00 0.14 0.00 0.00 62.40 62.27 1a54 h SER 38 CO 0.00 0.71 0.15 0.28 -1.14 0.00 0.00 176.83 176.83 1a54 h SER 39 N 1.19 1.02 -0.54 3.07 0.02 -1.83 -0.97 113.55 115.51 1a54 h SER 39 Ca 0.36 -0.24 -0.06 0.00 -0.84 0.00 0.00 61.79 61.01 1a54 h SER 39 Cb -0.02 -0.27 -0.03 0.00 0.14 0.00 0.00 62.40 62.22 1a54 h SER 39 CO -0.10 1.00 0.13 1.23 -1.14 0.00 0.00 176.83 177.94 1a54 h GLY 40 N 1.00 0.98 1.01 -3.77 0.00 -1.70 -2.13 103.07 98.47 1a54 h GLY 40 Ca 0.21 -0.59 0.01 0.00 0.00 0.00 0.00 47.33 46.95 1a54 h GLY 40 CO 0.01 0.55 0.45 -1.33 0.00 0.00 0.00 176.54 176.22 1a54 h GLY 41 N 1.01 0.98 1.03 4.60 0.00 -0.13 -0.56 103.07 110.00 1a54 h GLY 41 Ca 0.19 -0.37 -0.12 0.00 0.00 0.00 0.00 47.33 47.03 1a54 h GLY 41 CO 0.00 0.36 -0.21 -2.08 0.00 0.00 0.00 176.54 174.62 1a54 h VAL 42 N 0.94 1.28 -0.84 4.60 2.07 -1.00 -1.89 116.25 121.41 1a54 h VAL 42 Ca 0.25 -1.35 -0.01 0.00 0.82 0.00 0.00 66.70 66.41 1a54 h VAL 42 Cb -0.10 1.29 -0.04 0.00 -1.52 0.00 0.00 31.29 30.93 1a54 h VAL 42 CO -0.05 0.45 0.47 0.11 0.02 0.00 0.00 177.57 178.57 1a54 h LYS 43 N 0.66 1.16 -0.19 1.57 1.57 -1.01 -2.13 116.57 118.20 1a54 h LYS 43 Ca 0.09 -0.13 -0.18 0.00 -1.87 0.00 0.00 60.65 58.56 1a54 h LYS 43 Cb 0.77 -0.23 -0.00 0.00 0.08 0.00 0.00 32.23 32.85 1a54 h LYS 43 CO 0.06 0.84 -0.63 1.96 -0.57 0.00 0.00 179.45 181.12 1a54 h GLN 44 N 1.16 0.66 -0.30 3.15 1.08 -0.96 0.12 115.11 120.02 1a54 h GLN 44 Ca 0.30 -0.46 -0.11 0.00 -1.45 0.00 0.00 58.65 56.92 1a54 h GLN 44 Cb 0.01 0.07 -0.01 0.00 -0.05 0.00 0.00 27.48 27.50 1a54 h GLN 44 CO -0.05 1.08 -0.29 0.97 -0.95 0.00 0.00 178.83 179.58 1a54 h ILE 45 N 0.48 1.28 -0.09 2.54 6.09 -1.23 -1.48 117.51 125.10 1a54 h ILE 45 Ca -0.01 -1.39 -0.10 0.00 -1.37 0.00 0.00 64.86 61.99 1a54 h ILE 45 Cb 1.21 1.37 -0.01 0.00 0.47 0.00 0.00 36.82 39.86 1a54 h ILE 45 CO 0.12 0.45 -0.38 0.40 -3.07 0.00 0.00 178.15 175.67 1a54 h ILE 46 N 0.53 1.29 -0.00 2.19 2.04 -1.14 -2.13 117.51 120.29 1a54 h ILE 46 Ca 0.07 -1.41 0.00 0.00 1.00 0.00 0.00 64.86 64.51 1a54 h ILE 46 Cb 0.77 1.65 0.00 0.00 -0.74 0.00 0.00 36.82 38.50 1a54 h ILE 46 CO 0.06 0.42 -0.02 0.00 0.00 0.00 0.00 178.15 178.61 1a54 n ALA 47 N -2.47 2.52 -2.98 1.87 0.00 0.01 -4.92 120.51 114.53 1a54 n ALA 47 Ca -0.01 -0.16 -0.19 0.00 0.00 0.00 0.00 53.44 53.07 1a54 n ALA 47 Cb 0.45 -1.47 0.04 0.00 0.00 0.00 0.00 19.45 18.47 1a54 n ALA 47 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1a54 n ASN 48 N -1.26 -5.55 -0.07 0.00 3.02 -0.62 -4.89 115.26 105.90 1a54 n ASN 48 Ca 0.14 -0.28 0.11 0.00 -0.03 0.00 0.00 54.58 54.52 1a54 n ASN 48 Cb 0.25 -4.35 0.04 0.00 -0.61 0.00 0.00 39.78 35.12 1a54 n ASN 48 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 1a54 n THR 49 N -4.39 0.00 -4.16 3.41 -2.24 -0.84 -4.95 114.28 101.11 1a54 n THR 49 Ca -0.08 -0.03 -0.10 0.00 -2.27 0.00 0.00 64.05 61.56 1a54 n THR 49 Cb 0.60 0.74 -0.10 0.00 -2.10 0.00 0.00 70.33 69.47 1a54 n THR 49 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 1a54 s VAL 50 N -2.91 0.43 0.02 2.28 -7.23 -1.26 -5.04 120.40 106.69 1a54 s VAL 50 Ca 0.11 -1.91 0.11 0.00 -1.81 0.00 0.00 61.98 58.49 1a54 s VAL 50 Cb 0.17 -1.82 -0.06 0.00 0.56 0.00 0.00 36.38 35.23 1a54 s VAL 50 CO 0.76 -0.73 1.40 0.44 -0.31 0.00 0.00 175.10 176.67 1a54 h ASP 51 N 2.93 0.00 -4.57 4.85 3.32 -1.20 -3.46 116.42 118.30 1a54 h ASP 51 Ca -0.35 0.00 -0.14 0.00 0.02 0.00 0.00 57.03 56.56 1a54 h ASP 51 Cb 1.17 0.00 -0.22 0.00 0.22 0.00 0.00 39.33 40.50 1a54 h ASP 51 CO 0.63 0.72 -0.35 0.72 -1.72 0.00 0.00 179.24 179.25 1a54 s PHE 52 N -2.94 -0.19 0.35 4.55 -0.12 -0.94 -4.78 117.98 113.91 1a54 s PHE 52 Ca 0.02 0.38 0.07 0.00 -0.05 0.00 0.00 56.93 57.36 1a54 s PHE 52 Cb 0.09 0.08 -0.03 0.00 -0.63 0.00 0.00 43.02 42.53 1a54 s PHE 52 CO 0.78 -0.29 0.30 0.20 -0.05 0.00 0.00 175.22 176.16 1a54 s GLY 53 N -0.80 1.82 -0.03 1.99 0.00 -0.34 -2.05 107.32 107.91 1a54 s GLY 53 Ca -0.09 -1.68 -0.00 0.00 0.00 0.00 0.00 44.72 42.95 1a54 s GLY 53 CO 0.02 -1.59 0.02 0.00 0.00 0.00 0.00 173.10 171.55 1a54 s ALA 54 N -2.33 0.21 -0.04 3.20 0.00 -0.04 -0.88 121.76 121.88 1a54 s ALA 54 Ca 0.42 0.23 -0.03 0.00 0.00 0.00 0.00 51.96 52.58 1a54 s ALA 54 Cb -0.05 -0.33 0.02 0.00 0.00 0.00 0.00 23.12 22.75 1a54 s ALA 54 CO 0.27 -0.15 0.09 0.45 0.00 0.00 0.00 175.76 176.42 1a54 s SER 55 N 1.20 -0.08 0.19 0.00 0.15 -0.49 -0.93 113.70 113.75 1a54 s SER 55 Ca -0.07 0.19 0.10 0.00 0.70 0.00 0.00 55.95 56.86 1a54 s SER 55 Cb -0.13 0.15 0.00 0.00 -1.71 0.00 0.00 66.02 64.34 1a54 s SER 55 CO -0.03 -0.07 1.40 0.44 1.20 0.00 0.00 173.24 176.19 1a54 h ASP 56 N 6.45 0.00 -3.38 5.45 3.32 -1.87 0.10 116.42 126.50 1a54 h ASP 56 Ca -0.31 0.00 -0.55 0.00 0.02 0.00 0.00 57.03 56.18 1a54 h ASP 56 Cb 1.18 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 40.69 1a54 h ASP 56 CO 0.45 0.81 0.28 0.00 -1.72 0.00 0.00 179.24 179.06 1a54 s ALA 57 N -2.99 3.27 0.31 3.45 0.00 -1.26 -4.60 121.76 119.93 1a54 s ALA 57 Ca 0.01 0.34 -0.28 0.00 0.00 0.00 0.00 51.96 52.03 1a54 s ALA 57 Cb 0.10 -3.20 -0.09 0.00 0.00 0.00 0.00 23.12 19.93 1a54 s ALA 57 CO 0.79 -0.24 1.06 -1.25 0.00 0.00 0.00 175.76 176.12 1a54 s PRO 58 N 1.08 4.53 0.27 0.00 0.04 -1.26 -4.94 135.00 134.73 1a54 s PRO 58 Ca 0.45 1.67 -0.23 0.00 0.04 0.00 0.00 61.00 62.94 1a54 s PRO 58 Cb -0.19 -3.01 -0.09 0.00 0.04 0.00 0.00 34.50 31.25 1a54 s PRO 58 CO 0.22 0.15 0.84 -0.51 0.04 0.00 0.00 177.00 177.75 1a54 s LEU 59 N -1.77 4.35 0.79 -3.56 1.43 -1.26 -5.06 118.68 113.60 1a54 s LEU 59 Ca 0.48 1.64 -0.11 0.00 -1.03 0.00 0.00 54.13 55.11 1a54 s LEU 59 Cb -0.28 -3.81 0.07 0.00 0.03 0.00 0.00 46.19 42.20 1a54 s LEU 59 CO 0.36 -0.02 1.11 -0.94 0.23 0.00 0.00 176.35 177.09 1a54 s SER 60 N -1.62 4.25 0.28 2.29 1.04 -1.26 -4.78 113.70 113.90 1a54 s SER 60 Ca 0.47 1.93 0.01 0.00 0.48 0.00 0.00 55.95 58.84 1a54 s SER 60 Cb -0.18 -2.53 0.56 0.00 0.10 0.00 0.00 66.02 63.97 1a54 s SER 60 CO 0.22 -2.21 1.83 0.44 0.98 0.00 0.00 173.24 174.51 1a54 h ASP 61 N -1.13 0.90 -0.21 7.02 3.32 -1.99 0.25 116.42 124.57 1a54 h ASP 61 Ca -0.44 0.05 -0.02 0.00 0.02 0.00 0.00 57.03 56.65 1a54 h ASP 61 Cb 1.24 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 40.66 1a54 h ASP 61 CO 0.50 0.47 0.07 -0.08 -1.72 0.00 0.00 179.24 178.48 1a54 h GLU 62 N 0.96 0.33 -0.67 3.56 4.81 -1.99 -1.45 114.58 120.13 1a54 h GLU 62 Ca 0.50 -0.07 -0.06 0.00 -0.13 0.00 0.00 59.36 59.60 1a54 h GLU 62 Cb 0.52 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.82 1a54 h GLU 62 CO -0.28 0.41 0.17 -0.22 -0.73 0.00 0.00 179.01 178.36 1a54 h LYS 63 N 0.18 1.06 -0.77 1.92 1.63 -1.74 0.18 116.57 119.03 1a54 h LYS 63 Ca 0.07 -0.24 0.01 0.00 -0.85 0.00 0.00 60.65 59.64 1a54 h LYS 63 Cb 0.21 -0.15 -0.04 0.00 -0.60 0.00 0.00 32.23 31.66 1a54 h LYS 63 CO -0.00 0.93 0.51 -0.07 -3.45 0.00 0.00 179.45 177.36 1a54 h LEU 64 N 1.01 0.87 -0.72 5.20 3.38 -0.84 -1.68 115.31 122.52 1a54 h LEU 64 Ca 0.21 -0.02 -0.13 0.00 0.09 0.00 0.00 57.88 58.03 1a54 h LEU 64 Cb 0.34 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 1a54 h LEU 64 CO -0.00 0.63 -0.41 0.00 0.09 0.00 0.00 178.44 178.74 1a54 h ALA 65 N 1.29 0.90 -0.49 1.53 0.00 -0.67 0.14 119.26 121.96 1a54 h ALA 65 Ca 0.29 -0.44 -0.05 0.00 0.00 0.00 0.00 54.91 54.71 1a54 h ALA 65 Cb -0.10 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 1a54 h ALA 65 CO -0.07 0.64 0.11 1.96 0.00 0.00 0.00 179.25 181.89 1a54 h GLN 66 N 0.41 0.75 -0.01 0.00 4.20 -0.22 -2.80 115.11 117.44 1a54 h GLN 66 Ca 0.03 -0.15 0.00 0.00 0.06 0.00 0.00 58.65 58.60 1a54 h GLN 66 Cb 0.90 -0.11 0.00 0.00 0.30 0.00 0.00 27.48 28.56 1a54 h GLN 66 CO 0.08 0.68 -0.40 0.39 -0.67 0.00 0.00 178.83 178.91 1a54 n GLU 67 N -4.28 0.90 -2.27 1.46 -0.58 -0.67 -4.96 120.64 110.24 1a54 n GLU 67 Ca 0.03 -0.65 -0.09 0.00 -0.42 0.00 0.00 57.16 56.03 1a54 n GLU 67 Cb 0.22 -1.49 0.00 0.00 -0.57 0.00 0.00 31.44 29.61 1a54 n GLU 67 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1a54 n GLY 68 N 1.39 0.02 3.72 0.62 0.00 0.07 -4.96 105.19 106.05 1a54 n GLY 68 Ca 0.10 -0.47 -0.23 0.00 0.00 0.00 0.00 46.02 45.43 1a54 n GLY 68 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1a54 s LEU 69 N -2.79 3.45 0.02 0.99 1.43 0.27 -0.99 118.68 121.06 1a54 s LEU 69 Ca 0.03 -0.48 0.07 0.00 -1.03 0.00 0.00 54.13 52.71 1a54 s LEU 69 Cb -0.01 -1.98 -0.02 0.00 0.03 0.00 0.00 46.19 44.21 1a54 s LEU 69 CO 0.04 -0.02 -0.20 0.12 0.23 0.00 0.00 176.35 176.52 1a54 s PHE 70 N -2.25 1.76 -0.00 0.29 5.36 0.50 -4.51 117.98 119.13 1a54 s PHE 70 Ca 0.32 -0.35 0.05 0.00 -0.96 0.00 0.00 56.93 55.99 1a54 s PHE 70 Cb -0.07 -1.09 -0.01 0.00 -0.34 0.00 0.00 43.02 41.51 1a54 s PHE 70 CO 0.22 0.03 -0.16 -1.14 -1.46 0.00 0.00 175.22 172.71 1a54 s GLN 71 N -0.84 1.29 -0.01 10.12 0.74 -1.26 -1.77 119.66 127.92 1a54 s GLN 71 Ca 0.07 -0.63 -0.05 0.00 0.05 0.00 0.00 55.36 54.80 1a54 s GLN 71 Cb -0.08 -1.26 0.00 0.00 1.10 0.00 0.00 33.01 32.77 1a54 s GLN 71 CO 0.01 0.34 0.11 -0.59 -0.55 0.00 0.00 175.29 174.61 1a54 s PHE 72 N -0.46 0.00 0.34 1.67 -0.71 -0.53 -4.95 117.98 113.34 1a54 s PHE 72 Ca 0.06 -0.01 -0.15 0.00 -1.04 0.00 0.00 56.93 55.79 1a54 s PHE 72 Cb -0.07 -0.03 -0.09 0.00 -1.21 0.00 0.00 43.02 41.62 1a54 s PHE 72 CO -0.00 -0.19 0.75 -1.25 -1.34 0.00 0.00 175.22 173.19 1a54 s PRO 73 N -0.85 3.99 -0.00 1.99 0.04 -1.26 -0.50 135.00 138.41 1a54 s PRO 73 Ca -0.09 0.68 -0.04 0.00 0.04 0.00 0.00 61.00 61.59 1a54 s PRO 73 Cb -0.05 -2.41 -0.02 0.00 0.04 0.00 0.00 34.50 32.06 1a54 s PRO 73 CO 0.01 0.12 -0.09 0.25 0.04 0.00 0.00 177.00 177.33 1a54 n THR 74 N -0.48 0.96 -4.14 1.26 -2.24 -0.58 -4.91 114.28 104.15 1a54 n THR 74 Ca 0.04 0.18 -0.12 0.00 -2.27 0.00 0.00 64.05 61.88 1a54 n THR 74 Cb 0.53 -1.71 -0.08 0.00 -2.10 0.00 0.00 70.33 66.97 1a54 n THR 74 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 1a54 s VAL 75 N -2.18 0.00 -0.18 2.28 -7.23 -1.26 -4.44 120.40 107.38 1a54 s VAL 75 Ca -0.08 -1.81 -0.01 0.00 -1.81 0.00 0.00 61.98 58.27 1a54 s VAL 75 Cb 0.02 -2.42 0.00 0.00 0.56 0.00 0.00 36.38 34.54 1a54 s VAL 75 CO 0.11 0.00 -0.14 -0.63 -0.31 0.00 0.00 175.10 174.13 1a54 s ILE 76 N -4.03 2.64 0.24 -0.62 1.01 -0.06 -3.21 121.20 117.17 1a54 s ILE 76 Ca 0.34 -0.75 0.00 0.00 0.00 0.00 0.00 60.65 60.24 1a54 s ILE 76 Cb 0.04 -2.14 0.00 0.00 0.01 0.00 0.00 42.46 40.37 1a54 s ILE 76 CO 0.12 0.50 0.01 0.61 0.00 0.00 0.00 174.94 176.18 1a54 n GLY 77 N 4.50 3.85 2.97 6.18 0.00 -0.04 -0.29 105.19 122.35 1a54 n GLY 77 Ca -0.20 -2.28 -0.11 0.00 0.00 0.00 0.00 46.02 43.43 1a54 n GLY 77 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1a54 s GLY 78 N -2.35 0.02 -0.12 -0.02 0.00 -1.26 -2.00 107.32 101.59 1a54 s GLY 78 Ca 0.01 -0.02 -0.13 0.00 0.00 0.00 0.00 44.72 44.58 1a54 s GLY 78 CO 0.00 -0.06 0.30 0.14 0.00 0.00 0.00 173.10 173.48 1a54 s VAL 79 N -0.45 5.28 0.30 1.40 1.01 0.47 -0.83 120.40 127.58 1a54 s VAL 79 Ca -0.05 0.57 0.07 0.00 0.00 0.00 0.00 61.98 62.57 1a54 s VAL 79 Cb -0.03 -3.62 -0.06 0.00 0.00 0.00 0.00 36.38 32.67 1a54 s VAL 79 CO 0.00 0.46 -0.06 0.68 0.00 0.00 0.00 175.10 176.18 1a54 s VAL 80 N -0.03 1.79 -0.46 2.92 -7.23 0.66 -4.64 120.40 113.41 1a54 s VAL 80 Ca 0.18 -2.14 -0.15 0.00 -1.81 0.00 0.00 61.98 58.06 1a54 s VAL 80 Cb -0.14 -2.53 0.06 0.00 0.56 0.00 0.00 36.38 34.33 1a54 s VAL 80 CO 0.06 -0.25 0.38 -0.76 -0.31 0.00 0.00 175.10 174.21 1a54 s LEU 81 N -3.50 5.53 0.06 1.32 2.01 -1.26 -1.25 118.68 121.59 1a54 s LEU 81 Ca 0.31 -1.26 -0.28 0.00 0.01 0.00 0.00 54.13 52.90 1a54 s LEU 81 Cb 0.04 -2.18 -0.05 0.00 0.01 0.00 0.00 46.19 44.01 1a54 s LEU 81 CO 0.13 -0.61 0.91 0.00 1.01 0.00 0.00 176.35 177.79 1a54 s ALA 82 N 1.64 3.26 0.20 4.21 0.00 0.03 -2.09 121.76 129.02 1a54 s ALA 82 Ca 0.04 0.47 0.07 0.00 0.00 0.00 0.00 51.96 52.55 1a54 s ALA 82 Cb -0.23 -3.21 -0.05 0.00 0.00 0.00 0.00 23.12 19.63 1a54 s ALA 82 CO 0.07 -0.05 -0.12 0.14 0.00 0.00 0.00 175.76 175.79 1a54 s VAL 83 N 0.25 1.60 -0.45 0.00 -7.23 0.00 -1.03 120.40 113.54 1a54 s VAL 83 Ca 0.46 -2.17 0.02 0.00 -1.81 0.00 0.00 61.98 58.48 1a54 s VAL 83 Cb -0.22 -2.06 0.13 0.00 0.56 0.00 0.00 36.38 34.80 1a54 s VAL 83 CO 0.27 -0.59 0.24 0.21 -0.31 0.00 0.00 175.10 174.93 1a54 s ASN 84 N -3.30 3.77 -0.48 4.85 3.84 -0.48 -3.80 114.94 119.34 1a54 s ASN 84 Ca 0.22 -2.68 0.03 0.00 0.21 0.00 0.00 52.86 50.64 1a54 s ASN 84 Cb 0.01 -1.14 0.15 0.00 -0.55 0.00 0.00 41.25 39.71 1a54 s ASN 84 CO 0.06 -0.26 0.30 -0.63 -2.79 0.00 0.00 177.10 173.77 1a54 s ILE 85 N 0.25 1.51 -0.39 -5.21 1.01 -1.26 0.36 121.20 117.48 1a54 s ILE 85 Ca 0.17 -2.86 -0.45 0.00 0.00 0.00 0.00 60.65 57.51 1a54 s ILE 85 Cb -0.25 -2.04 -0.19 0.00 0.01 0.00 0.00 42.46 39.99 1a54 s ILE 85 CO 0.00 -0.96 1.54 -2.65 0.00 0.00 0.00 174.94 172.87 1a54 n PRO 86 N 3.18 0.18 0.00 2.79 -0.03 -1.26 -1.88 135.00 137.98 1a54 n PRO 86 Ca 0.13 0.07 0.00 0.00 -0.03 0.00 0.00 63.50 63.67 1a54 n PRO 86 Cb 0.36 -1.59 0.00 0.00 -0.03 0.00 0.00 33.50 32.24 1a54 n PRO 86 CO 0.00 0.00 0.00 0.41 -0.03 0.00 0.00 175.50 175.88 1a54 n GLY 87 N 3.64 1.88 3.70 -1.23 0.00 -1.26 -4.87 105.19 107.06 1a54 n GLY 87 Ca 0.29 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.08 1a54 n GLY 87 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1a54 s LEU 88 N 0.00 3.40 0.32 0.99 2.96 -0.79 -5.04 118.68 120.52 1a54 s LEU 88 Ca 0.00 -0.51 0.10 0.00 -0.22 0.00 0.00 54.13 53.50 1a54 s LEU 88 Cb 0.00 -1.93 -0.05 0.00 0.50 0.00 0.00 46.19 44.71 1a54 s LEU 88 CO 0.00 -0.01 -0.06 -0.54 -1.32 0.00 0.00 176.35 174.42 1a54 s LYS 89 N -3.70 1.95 0.16 1.98 3.01 -1.26 -4.85 119.74 117.03 1a54 s LYS 89 Ca 0.32 -1.76 -0.34 0.00 -1.01 0.00 0.00 55.97 53.17 1a54 s LYS 89 Cb -0.07 -1.86 -0.14 0.00 -1.01 0.00 0.00 37.83 34.74 1a54 s LYS 89 CO 0.21 0.20 1.49 0.45 0.51 0.00 0.00 175.35 178.22 1a54 n SER 90 N -0.84 2.68 0.00 2.83 2.88 -1.26 -1.85 113.62 118.06 1a54 n SER 90 Ca -0.05 1.10 0.00 0.00 -1.33 0.00 0.00 58.87 58.59 1a54 n SER 90 Cb 0.62 -1.37 0.00 0.00 -0.75 0.00 0.00 64.21 62.71 1a54 n SER 90 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1a54 n GLY 91 N 3.01 2.64 0.13 0.46 0.00 0.01 -4.88 105.19 106.55 1a54 n GLY 91 Ca 0.16 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.04 1a54 n GLY 91 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1a54 h GLU 92 N 2.17 0.34 -6.50 1.61 5.08 -1.59 -3.39 114.58 112.31 1a54 h GLU 92 Ca 0.00 -0.27 -0.53 0.00 -1.00 0.00 0.00 59.36 57.56 1a54 h GLU 92 Cb 0.00 0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.30 1a54 h GLU 92 CO 0.00 0.91 0.53 -1.17 -1.00 0.00 0.00 179.01 178.27 1a54 s LEU 93 N -8.72 4.39 -0.10 1.33 2.96 -1.26 -4.88 118.68 112.40 1a54 s LEU 93 Ca -0.14 1.99 -0.01 0.00 -0.22 0.00 0.00 54.13 55.75 1a54 s LEU 93 Cb 0.04 -3.58 -0.03 0.00 0.50 0.00 0.00 46.19 43.12 1a54 s LEU 93 CO 0.77 -0.41 -0.05 -0.69 -1.32 0.00 0.00 176.35 174.65 1a54 s VAL 94 N 0.87 3.81 0.17 1.68 1.01 -1.26 -0.74 120.40 125.94 1a54 s VAL 94 Ca 0.57 -0.42 0.08 0.00 0.00 0.00 0.00 61.98 62.21 1a54 s VAL 94 Cb -0.29 -2.60 -0.04 0.00 0.00 0.00 0.00 36.38 33.45 1a54 s VAL 94 CO 0.30 0.57 -0.17 -0.76 0.00 0.00 0.00 175.10 175.03 1a54 s LEU 95 N -0.42 2.46 0.47 3.92 1.43 -0.91 -4.75 118.68 120.89 1a54 s LEU 95 Ca 0.06 -0.90 0.07 0.00 -1.03 0.00 0.00 54.13 52.33 1a54 s LEU 95 Cb -0.12 -0.77 -0.00 0.00 0.03 0.00 0.00 46.19 45.32 1a54 s LEU 95 CO 0.02 -0.07 0.33 1.51 0.23 0.00 0.00 176.35 178.37 1a54 s ASP 96 N -2.81 4.69 0.14 2.29 1.47 -1.26 -2.13 116.67 119.07 1a54 s ASP 96 Ca 0.17 -1.06 -0.16 0.00 1.18 0.00 0.00 52.55 52.68 1a54 s ASP 96 Cb -0.05 -0.10 0.00 0.00 -0.34 0.00 0.00 42.92 42.44 1a54 s ASP 96 CO 0.06 -0.83 1.70 1.23 0.68 0.00 0.00 175.17 178.02 1a54 h GLY 97 N 1.01 0.65 0.93 2.12 0.00 -1.88 -0.96 103.07 104.94 1a54 h GLY 97 Ca -0.40 -0.34 -0.00 0.00 0.00 0.00 0.00 47.33 46.59 1a54 h GLY 97 CO 0.61 0.32 0.08 1.70 0.00 0.00 0.00 176.54 179.25 1a54 h LYS 98 N 0.52 0.21 -0.45 4.80 1.63 -1.96 0.00 116.57 121.32 1a54 h LYS 98 Ca 0.14 -0.03 -0.14 0.00 -0.85 0.00 0.00 60.65 59.77 1a54 h LYS 98 Cb 0.16 -0.04 -0.01 0.00 -0.60 0.00 0.00 32.23 31.74 1a54 h LYS 98 CO -0.01 0.23 -0.28 1.15 -3.45 0.00 0.00 179.45 177.09 1a54 h THR 99 N 0.13 1.27 -0.89 1.00 2.02 -1.89 -0.93 112.91 113.62 1a54 h THR 99 Ca 0.05 -1.45 0.01 0.00 0.77 0.00 0.00 66.41 65.79 1a54 h THR 99 Cb 0.09 1.21 -0.04 0.00 -1.74 0.00 0.00 68.15 67.66 1a54 h THR 99 CO -0.01 0.49 0.59 0.25 0.37 0.00 0.00 175.52 177.21 1a54 h LEU 100 N 0.83 1.02 -0.93 2.58 5.85 -1.05 -0.33 115.31 123.28 1a54 h LEU 100 Ca 0.09 -0.03 -0.04 0.00 0.84 0.00 0.00 57.88 58.74 1a54 h LEU 100 Cb 0.86 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 41.61 1a54 h LEU 100 CO 0.08 0.74 0.28 1.23 -0.34 0.00 0.00 178.44 180.43 1a54 h GLY 101 N 1.21 1.14 2.00 3.75 0.00 -0.61 -1.44 103.07 109.12 1a54 h GLY 101 Ca 0.33 -0.60 -0.09 0.00 0.00 0.00 0.00 47.33 46.96 1a54 h GLY 101 CO -0.07 0.57 -0.43 -0.55 0.00 0.00 0.00 176.54 176.06 1a54 h ASP 102 N 1.04 0.00 -0.25 0.19 3.32 -0.41 0.82 116.42 121.13 1a54 h ASP 102 Ca 0.24 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 57.23 1a54 h ASP 102 Cb 0.20 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.74 1a54 h ASP 102 CO -0.02 0.43 -0.08 0.40 -1.72 0.00 0.00 179.24 178.25 1a54 h ILE 103 N 0.00 1.29 0.00 0.35 2.04 -0.53 -0.89 117.51 119.77 1a54 h ILE 103 Ca -0.00 -1.12 -0.00 0.00 1.00 0.00 0.00 64.86 64.73 1a54 h ILE 103 Cb 0.78 1.51 -0.00 0.00 -0.74 0.00 0.00 36.82 38.37 1a54 h ILE 103 CO 0.06 0.35 -0.02 1.88 0.00 0.00 0.00 178.15 180.42 1a54 h TYR 104 N 0.23 0.00 0.00 1.37 -1.99 -0.73 -1.27 116.97 114.58 1a54 h TYR 104 Ca 0.06 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.79 1a54 h TYR 104 Cb 0.56 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.29 1a54 h TYR 104 CO 0.06 0.02 0.00 1.28 -0.00 0.00 0.00 178.16 179.51 1a54 n LEU 105 N -3.12 0.73 0.00 3.88 4.77 0.23 -4.16 117.00 119.32 1a54 n LEU 105 Ca 0.00 0.58 0.00 0.00 -0.03 0.00 0.00 56.01 56.57 1a54 n LEU 105 Cb 0.29 -0.37 0.00 0.00 -2.33 0.00 0.00 43.42 41.01 1a54 n LEU 105 CO 0.27 -0.23 0.00 0.61 -1.33 0.00 0.00 177.39 176.71 1a54 n GLY 106 N 1.10 0.67 0.08 -0.72 0.00 -0.48 -4.72 105.19 101.12 1a54 n GLY 106 Ca 0.05 -0.05 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 1a54 n GLY 106 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1a54 h LYS 107 N 1.90 0.06 -4.81 1.61 1.57 -1.37 -3.43 116.57 112.10 1a54 h LYS 107 Ca 0.00 -0.11 -0.67 0.00 -1.87 0.00 0.00 60.65 58.00 1a54 h LYS 107 Cb 0.00 0.04 -0.24 0.00 0.08 0.00 0.00 32.23 32.11 1a54 h LYS 107 CO 0.00 0.92 -0.59 0.42 -0.57 0.00 0.00 179.45 179.63 1a54 s ILE 108 N -2.66 4.36 -0.06 1.86 1.01 -1.14 -5.00 121.20 119.58 1a54 s ILE 108 Ca -0.02 -0.47 0.18 0.00 0.00 0.00 0.00 60.65 60.33 1a54 s ILE 108 Cb 0.09 -3.21 -0.27 0.00 0.01 0.00 0.00 42.46 39.08 1a54 s ILE 108 CO 0.83 0.11 0.40 0.29 0.00 0.00 0.00 174.94 176.58 1a54 n LYS 109 N 4.94 0.57 -4.54 2.79 4.76 -1.26 -4.69 118.16 120.72 1a54 n LYS 109 Ca -0.14 -0.16 -0.29 0.00 -2.87 0.00 0.00 58.31 54.85 1a54 n LYS 109 Cb 0.49 -1.42 -0.14 0.00 -1.84 0.00 0.00 35.03 32.13 1a54 n LYS 109 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 1a54 s LYS 110 N -3.21 1.49 0.55 1.97 -0.14 -1.26 -0.91 119.74 118.22 1a54 s LYS 110 Ca -0.06 -1.24 0.32 0.00 -1.36 0.00 0.00 55.97 53.63 1a54 s LYS 110 Cb 0.11 -1.85 1.55 0.00 -1.68 0.00 0.00 37.83 35.97 1a54 s LYS 110 CO 0.74 0.45 2.08 -1.49 -0.76 0.00 0.00 175.35 176.37 1a54 h TRP 111 N 4.22 0.00 -0.71 3.18 4.06 -1.09 -2.18 115.95 123.43 1a54 h TRP 111 Ca -0.49 0.00 -0.21 0.00 2.06 0.00 0.00 58.89 60.25 1a54 h TRP 111 Cb 1.16 0.00 -0.12 0.00 -1.00 0.00 0.00 29.16 29.20 1a54 h TRP 111 CO 0.56 0.08 0.25 -0.40 -3.56 0.00 0.00 178.44 175.37 1a54 n ASP 112 N -3.36 4.72 -4.59 -3.49 5.75 -1.08 -4.73 116.55 109.76 1a54 n ASP 112 Ca -0.01 -3.24 -0.39 0.00 -0.01 0.00 0.00 54.79 51.14 1a54 n ASP 112 Cb 0.25 -0.74 0.04 0.00 -1.03 0.00 0.00 41.12 39.64 1a54 n ASP 112 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 1a54 n ASP 113 N -0.21 0.64 -0.33 -1.12 2.03 -0.82 -4.67 116.55 112.06 1a54 n ASP 113 Ca 0.40 0.85 0.07 0.00 0.52 0.00 0.00 54.79 56.63 1a54 n ASP 113 Cb 1.36 -1.35 0.23 0.00 -0.72 0.00 0.00 41.12 40.64 1a54 n ASP 113 CO 0.00 0.00 0.00 1.05 -1.92 0.00 0.00 177.20 176.33 1a54 h GLU 114 N 0.70 0.79 -0.16 -0.67 -0.00 -1.94 0.04 114.58 113.35 1a54 h GLU 114 Ca -0.47 -0.05 -0.09 0.00 -0.00 0.00 0.00 59.36 58.75 1a54 h GLU 114 Cb 1.36 -0.18 -0.01 0.00 -0.00 0.00 0.00 28.75 29.92 1a54 h GLU 114 CO 0.52 0.52 -0.31 0.00 -0.00 0.00 0.00 179.01 179.74 1a54 h ALA 115 N 1.54 1.18 -0.10 1.06 0.00 -1.98 -0.95 119.26 120.01 1a54 h ALA 115 Ca 0.48 -0.35 -0.23 0.00 0.00 0.00 0.00 54.91 54.81 1a54 h ALA 115 Cb 0.56 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.27 1a54 h ALA 115 CO -0.30 0.54 -0.82 0.82 0.00 0.00 0.00 179.25 179.49 1a54 h ILE 116 N 0.27 1.29 -0.72 0.00 2.04 -1.59 -3.10 117.51 115.71 1a54 h ILE 116 Ca 0.04 -2.03 -0.05 0.00 1.00 0.00 0.00 64.86 63.81 1a54 h ILE 116 Cb 0.69 2.14 -0.03 0.00 -0.74 0.00 0.00 36.82 38.87 1a54 h ILE 116 CO 0.05 0.64 0.24 0.00 0.00 0.00 0.00 178.15 179.08 1a54 h ALA 117 N 0.49 1.06 -0.26 1.87 0.00 -0.81 -2.48 119.26 119.13 1a54 h ALA 117 Ca -0.07 -0.21 -0.05 0.00 0.00 0.00 0.00 54.91 54.57 1a54 h ALA 117 Cb 1.46 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.95 1a54 h ALA 117 CO 0.17 0.64 -0.08 0.87 0.00 0.00 0.00 179.25 180.85 1a54 h LYS 118 N 1.06 0.41 0.00 0.00 1.57 -1.21 -1.39 116.57 117.01 1a54 h LYS 118 Ca 0.24 -0.10 0.00 0.00 -1.87 0.00 0.00 60.65 58.92 1a54 h LYS 118 Cb 0.28 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.53 1a54 h LYS 118 CO -0.01 0.50 0.00 -0.07 -0.57 0.00 0.00 179.45 179.30 1a54 h LEU 119 N 0.39 0.00 -5.88 2.94 3.38 -1.37 -3.36 115.31 111.41 1a54 h LEU 119 Ca 0.08 0.00 -0.50 0.00 0.09 0.00 0.00 57.88 57.55 1a54 h LEU 119 Cb 0.38 0.00 -0.40 0.00 0.09 0.00 0.00 40.66 40.73 1a54 h LEU 119 CO 0.02 0.00 -1.10 0.59 0.09 0.00 0.00 178.44 178.04 1a54 n ASN 120 N -2.74 1.46 0.15 -0.43 3.02 -0.55 -4.74 115.26 111.42 1a54 n ASN 120 Ca 0.02 -3.12 0.14 0.00 -0.03 0.00 0.00 54.58 51.59 1a54 n ASN 120 Cb 0.34 -0.61 0.67 0.00 -0.61 0.00 0.00 39.78 39.58 1a54 n ASN 120 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 1a54 h PRO 121 N 3.02 0.00 -0.10 3.52 0.13 -1.66 -2.11 132.00 134.80 1a54 h PRO 121 Ca 0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 1a54 h PRO 121 Cb 0.89 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.02 1a54 h PRO 121 CO 0.56 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.74 1a54 n GLY 122 N -1.58 0.27 3.85 1.56 0.00 -1.26 -4.94 105.19 103.10 1a54 n GLY 122 Ca 0.03 -0.47 -0.37 0.00 0.00 0.00 0.00 46.02 45.21 1a54 n GLY 122 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1a54 s LEU 123 N -1.80 4.42 -0.76 0.99 1.43 -0.80 -5.04 118.68 117.13 1a54 s LEU 123 Ca 0.35 0.67 -0.20 0.00 -1.03 0.00 0.00 54.13 53.92 1a54 s LEU 123 Cb 0.20 -2.29 0.10 0.00 0.03 0.00 0.00 46.19 44.22 1a54 s LEU 123 CO 0.30 0.36 0.98 -1.59 0.23 0.00 0.00 176.35 176.64 1a54 s LYS 124 N -0.98 3.30 0.05 1.70 0.00 -1.26 -5.02 119.74 117.53 1a54 s LYS 124 Ca 0.19 -1.31 -0.21 0.00 0.00 0.00 0.00 55.97 54.64 1a54 s LYS 124 Cb -0.14 -4.51 -0.06 0.00 0.00 0.00 0.00 37.83 33.12 1a54 s LYS 124 CO 0.08 -1.75 0.61 -0.51 0.00 0.00 0.00 175.35 173.78 1a54 s LEU 125 N 3.23 4.49 0.47 2.77 1.02 -1.26 -4.90 118.68 124.50 1a54 s LEU 125 Ca 0.24 1.28 -0.19 0.00 0.02 0.00 0.00 54.13 55.47 1a54 s LEU 125 Cb -0.13 -2.97 -0.09 0.00 0.02 0.00 0.00 46.19 43.02 1a54 s LEU 125 CO 0.01 0.19 0.98 -2.16 0.02 0.00 0.00 176.35 175.40 1a54 s PRO 126 N -0.71 4.02 -1.37 1.29 0.04 -1.26 -4.67 135.00 132.33 1a54 s PRO 126 Ca 0.31 1.13 -0.11 0.00 0.04 0.00 0.00 61.00 62.36 1a54 s PRO 126 Cb -0.19 -2.14 0.10 0.00 0.04 0.00 0.00 34.50 32.30 1a54 s PRO 126 CO 0.19 -0.21 2.09 -1.13 0.04 0.00 0.00 177.00 177.99 1a54 n SER 127 N -1.02 4.82 -4.30 6.66 3.41 -1.26 -2.63 113.62 119.30 1a54 n SER 127 Ca 0.07 -2.97 -0.30 0.00 -0.26 0.00 0.00 58.87 55.41 1a54 n SER 127 Cb 0.54 -1.55 -0.16 0.00 -0.26 0.00 0.00 64.21 62.78 1a54 n SER 127 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 175.04 173.30 1a54 s GLN 128 N 1.60 1.92 0.50 4.33 2.00 -1.26 -4.95 119.66 123.80 1a54 s GLN 128 Ca 0.44 -0.93 -0.23 0.00 -2.00 0.00 0.00 55.36 52.64 1a54 s GLN 128 Cb 0.12 -1.92 -0.06 0.00 0.80 0.00 0.00 33.01 31.95 1a54 s GLN 128 CO -0.04 0.52 1.37 -0.80 -0.50 0.00 0.00 175.29 175.84 1a54 s ASN 129 N -0.74 5.57 -0.07 6.67 0.01 -1.26 -0.75 114.94 124.37 1a54 s ASN 129 Ca 0.10 2.80 -0.22 0.00 -0.71 0.00 0.00 52.86 54.83 1a54 s ASN 129 Cb -0.10 -2.64 -0.04 0.00 0.41 0.00 0.00 41.25 38.88 1a54 s ASN 129 CO -0.00 -1.37 0.65 -0.63 -1.51 0.00 0.00 177.10 174.24 1a54 s ILE 130 N -1.27 5.06 -0.42 0.60 1.01 -0.09 -4.55 121.20 121.53 1a54 s ILE 130 Ca 0.67 1.34 -0.06 0.00 0.00 0.00 0.00 60.65 62.59 1a54 s ILE 130 Cb -0.41 -3.99 0.10 0.00 0.01 0.00 0.00 42.46 38.17 1a54 s ILE 130 CO 0.51 0.28 0.25 0.00 0.00 0.00 0.00 174.94 175.98 1a54 s ALA 131 N 0.67 3.24 0.21 9.38 0.00 -0.46 -4.95 121.76 129.86 1a54 s ALA 131 Ca 0.35 -2.38 -0.30 0.00 0.00 0.00 0.00 51.96 49.63 1a54 s ALA 131 Cb -0.17 -2.57 -0.08 0.00 0.00 0.00 0.00 23.12 20.29 1a54 s ALA 131 CO 0.17 -1.76 1.20 0.08 0.00 0.00 0.00 175.76 175.45 1a54 s VAL 132 N 1.29 3.47 -0.06 0.00 1.01 -1.26 -1.21 120.40 123.64 1a54 s VAL 132 Ca 0.05 1.28 0.04 0.00 0.00 0.00 0.00 61.98 63.35 1a54 s VAL 132 Cb -0.24 -3.82 0.00 0.00 0.00 0.00 0.00 36.38 32.33 1a54 s VAL 132 CO -0.01 0.23 -0.16 -0.69 0.00 0.00 0.00 175.10 174.46 1a54 s VAL 133 N -0.28 1.42 0.30 2.92 1.01 0.67 -1.61 120.40 124.83 1a54 s VAL 133 Ca 0.52 -0.68 0.05 0.00 0.00 0.00 0.00 61.98 61.86 1a54 s VAL 133 Cb -0.33 -1.24 -0.03 0.00 0.00 0.00 0.00 36.38 34.77 1a54 s VAL 133 CO 0.38 0.41 0.23 0.00 0.00 0.00 0.00 175.10 176.13 1a54 s ARG 134 N 0.27 1.61 0.14 2.72 1.04 0.10 -4.14 118.95 120.68 1a54 s ARG 134 Ca -0.09 -1.92 -0.24 0.00 -1.04 0.00 0.00 55.73 52.44 1a54 s ARG 134 Cb -0.14 0.25 -0.07 0.00 -2.04 0.00 0.00 34.95 32.95 1a54 s ARG 134 CO 0.04 -0.57 0.74 1.03 -0.04 0.00 0.00 175.30 176.50 1a54 s ARG 135 N -3.66 4.50 0.04 3.89 1.81 -1.26 -0.64 118.95 123.63 1a54 s ARG 135 Ca 0.39 1.08 -0.04 0.00 -1.72 0.00 0.00 55.73 55.44 1a54 s ARG 135 Cb 0.04 -3.27 -0.28 0.00 -0.45 0.00 0.00 34.95 30.99 1a54 s ARG 135 CO 0.23 0.55 0.99 0.00 -0.68 0.00 0.00 175.30 176.39 1a54 h ALA 136 N 4.51 0.18 -2.28 2.13 0.00 -0.99 -3.43 119.26 119.39 1a54 h ALA 136 Ca -0.47 -1.00 -0.48 0.00 0.00 0.00 0.00 54.91 52.95 1a54 h ALA 136 Cb 1.21 0.16 0.00 0.00 0.00 0.00 0.00 17.79 19.15 1a54 h ALA 136 CO 0.66 1.05 -0.26 0.16 0.00 0.00 0.00 179.25 180.87 1a54 s ASP 137 N -7.07 6.32 0.04 0.00 -4.77 -1.26 -5.02 116.67 104.91 1a54 s ASP 137 Ca -0.07 0.37 -0.30 0.00 -3.30 0.00 0.00 52.55 49.25 1a54 s ASP 137 Cb 0.07 -2.00 -0.08 0.00 -1.09 0.00 0.00 42.92 39.82 1a54 s ASP 137 CO 0.87 -0.21 1.67 -0.83 0.70 0.00 0.00 175.17 177.38 1a54 s GLY 138 N -3.86 1.55 -0.03 2.12 0.00 -1.26 -4.88 107.32 100.95 1a54 s GLY 138 Ca 0.39 1.16 -0.02 0.00 0.00 0.00 0.00 44.72 46.24 1a54 s GLY 138 CO 0.33 2.96 0.08 -0.45 0.00 0.00 0.00 173.10 176.02 1a54 s SER 139 N 2.75 -0.06 0.26 1.64 0.15 -0.42 -2.82 113.70 115.21 1a54 s SER 139 Ca 0.75 0.16 0.12 0.00 0.70 0.00 0.00 55.95 57.67 1a54 s SER 139 Cb -0.39 0.12 0.29 0.00 -1.71 0.00 0.00 66.02 64.33 1a54 s SER 139 CO 0.32 -0.07 1.56 1.23 1.20 0.00 0.00 173.24 177.49 1a54 h GLY 140 N 6.47 0.00 1.50 9.45 0.00 -1.92 -1.49 103.07 117.08 1a54 h GLY 140 Ca -0.32 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 46.89 1a54 h GLY 140 CO 0.46 0.00 -0.35 -0.84 0.00 0.00 0.00 176.54 175.81 1a54 h THR 141 N 0.00 1.29 -0.26 4.70 2.02 -1.95 -0.70 112.91 118.02 1a54 h THR 141 Ca -0.01 -1.47 -0.10 0.00 0.77 0.00 0.00 66.41 65.60 1a54 h THR 141 Cb 1.21 1.47 -0.01 0.00 -1.74 0.00 0.00 68.15 69.08 1a54 h THR 141 CO 0.08 0.47 -0.25 0.28 0.37 0.00 0.00 175.52 176.47 1a54 h SER 142 N 0.47 0.49 -0.05 4.18 0.02 -1.79 0.85 113.55 117.73 1a54 h SER 142 Ca 0.05 -0.17 -0.00 0.00 -0.84 0.00 0.00 61.79 60.83 1a54 h SER 142 Cb 0.83 -0.13 -0.00 0.00 0.14 0.00 0.00 62.40 63.23 1a54 h SER 142 CO 0.07 0.74 0.03 0.15 -1.14 0.00 0.00 176.83 176.68 1a54 h PHE 143 N 0.43 0.06 -0.18 3.45 3.57 -0.42 0.14 116.94 123.99 1a54 h PHE 143 Ca 0.06 -0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.58 1a54 h PHE 143 Cb 0.67 -0.02 -0.02 0.00 2.79 0.00 0.00 35.95 39.38 1a54 h PHE 143 CO 0.02 0.08 0.06 0.28 -2.23 0.00 0.00 178.31 176.53 1a54 h VAL 144 N 0.02 0.96 -0.45 1.41 2.07 -0.92 -0.37 116.25 118.98 1a54 h VAL 144 Ca 0.02 -0.05 -0.04 0.00 0.82 0.00 0.00 66.70 67.44 1a54 h VAL 144 Cb 0.04 0.80 -0.02 0.00 -1.52 0.00 0.00 31.29 30.59 1a54 h VAL 144 CO -0.00 0.03 0.13 0.15 0.02 0.00 0.00 177.57 177.90 1a54 h PHE 145 N 0.15 0.74 0.00 1.57 3.57 -0.56 -1.21 116.94 121.20 1a54 h PHE 145 Ca 0.08 -0.08 -0.14 0.00 3.53 0.00 0.00 57.97 61.36 1a54 h PHE 145 Cb 0.04 -0.21 -0.02 0.00 2.79 0.00 0.00 35.95 38.55 1a54 h PHE 145 CO -0.11 0.67 -0.65 1.79 -2.23 0.00 0.00 178.31 177.78 1a54 h THR 146 N 0.60 1.35 -0.60 4.41 1.35 -0.73 -0.27 112.91 119.02 1a54 h THR 146 Ca 0.14 -2.33 0.03 0.00 -0.55 0.00 0.00 66.41 63.71 1a54 h THR 146 Cb 0.29 2.30 -0.04 0.00 -1.73 0.00 0.00 68.15 68.97 1a54 h THR 146 CO -0.00 0.64 0.35 0.28 -0.25 0.00 0.00 175.52 176.54 1a54 h SER 147 N 0.00 0.56 0.03 5.36 0.02 -0.84 -1.00 113.55 117.68 1a54 h SER 147 Ca -0.01 0.01 -0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1a54 h SER 147 Cb 1.25 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 63.68 1a54 h SER 147 CO 0.08 0.39 -0.02 0.22 -1.14 0.00 0.00 176.83 176.37 1a54 h TYR 148 N 0.69 -0.04 -0.71 3.45 3.20 -0.88 -3.02 116.97 119.67 1a54 h TYR 148 Ca 0.25 -0.00 0.03 0.00 3.14 0.00 0.00 58.73 62.15 1a54 h TYR 148 Cb 0.07 0.01 -0.04 0.00 1.54 0.00 0.00 36.73 38.31 1a54 h TYR 148 CO -0.06 0.24 0.47 -0.07 -1.64 0.00 0.00 178.16 177.09 1a54 h LEU 149 N -0.32 0.73 -1.81 2.82 3.38 -0.78 -0.98 115.31 118.35 1a54 h LEU 149 Ca -0.00 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 1a54 h LEU 149 Cb 0.30 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.88 1a54 h LEU 149 CO 0.01 0.51 -0.15 0.00 0.09 0.00 0.00 178.44 178.90 1a54 h ALA 150 N 1.59 1.49 0.00 1.53 0.00 -1.14 -0.76 119.26 121.97 1a54 h ALA 150 Ca 0.28 -0.13 -0.14 0.00 0.00 0.00 0.00 54.91 54.91 1a54 h ALA 150 Cb 0.06 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 1a54 h ALA 150 CO -0.08 0.18 -0.68 0.87 0.00 0.00 0.00 179.25 179.54 1a54 h LYS 151 N 0.00 0.00 -0.01 0.00 1.57 -1.05 -3.38 116.57 113.70 1a54 h LYS 151 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1a54 h LYS 151 Cb 0.31 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.62 1a54 h LYS 151 CO 0.02 0.68 -0.15 1.33 -0.57 0.00 0.00 179.45 180.75 1a54 n VAL 152 N -3.57 0.00 -3.52 0.50 0.24 -0.82 -4.91 118.33 106.24 1a54 n VAL 152 Ca -0.00 -0.42 -0.20 0.00 -2.04 0.00 0.00 64.34 61.67 1a54 n VAL 152 Cb 0.70 1.12 -0.14 0.00 -1.47 0.00 0.00 33.84 34.06 1a54 n VAL 152 CO 0.00 0.00 0.00 0.21 -2.14 0.00 0.00 176.83 174.90 1a54 s ASN 153 N -1.19 1.66 0.31 -1.34 3.84 -0.35 -3.53 114.94 114.34 1a54 s ASN 153 Ca 0.08 -0.36 0.02 0.00 0.21 0.00 0.00 52.86 52.81 1a54 s ASN 153 Cb 0.07 0.23 0.51 0.00 -0.55 0.00 0.00 41.25 41.51 1a54 s ASN 153 CO 0.21 -0.34 1.85 -0.33 -2.79 0.00 0.00 177.10 175.70 1a54 h GLU 154 N 8.34 0.66 -0.62 0.43 5.08 -1.85 -1.73 114.58 124.89 1a54 h GLU 154 Ca -0.17 -0.14 -0.05 0.00 -1.00 0.00 0.00 59.36 58.01 1a54 h GLU 154 Cb 1.15 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 30.27 1a54 h GLU 154 CO 0.29 0.64 0.21 1.49 -1.00 0.00 0.00 179.01 180.64 1a54 h GLU 155 N 0.64 0.95 0.36 2.33 4.81 -1.96 0.84 114.58 122.55 1a54 h GLU 155 Ca 0.14 -0.19 -0.02 0.00 -0.13 0.00 0.00 59.36 59.16 1a54 h GLU 155 Cb 0.31 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.56 1a54 h GLU 155 CO 0.01 0.83 -0.17 2.35 -0.73 0.00 0.00 179.01 181.29 1a54 h TRP 156 N 0.88 -0.45 -0.45 0.92 2.91 -1.81 -1.36 115.95 116.59 1a54 h TRP 156 Ca 0.20 -0.01 0.09 0.00 1.13 0.00 0.00 58.89 60.30 1a54 h TRP 156 Cb 0.26 0.15 -0.10 0.00 -0.51 0.00 0.00 29.16 28.96 1a54 h TRP 156 CO 0.02 -0.25 -0.31 -0.22 -1.03 0.00 0.00 178.44 176.64 1a54 h LYS 157 N -0.52 -0.21 0.00 2.65 3.64 -1.01 0.32 116.57 121.43 1a54 h LYS 157 Ca -0.05 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 1a54 h LYS 157 Cb 0.40 0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.26 1a54 h LYS 157 CO 0.08 -0.14 0.00 -0.91 -2.27 0.00 0.00 179.45 176.21 1a54 h ASN 158 N -0.22 0.00 0.00 4.20 2.35 -0.73 -3.17 115.58 118.01 1a54 h ASN 158 Ca 0.19 0.00 -0.14 0.00 -0.55 0.00 0.00 56.30 55.81 1a54 h ASN 158 Cb 0.53 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.88 1a54 h ASN 158 CO -0.57 0.00 -1.51 0.59 -1.65 0.00 0.00 177.43 174.29 1a54 n ASN 159 N -2.72 3.24 -0.07 5.81 3.02 -0.52 -4.86 115.26 119.15 1a54 n ASN 159 Ca 0.04 -0.02 -0.13 0.00 -0.03 0.00 0.00 54.58 54.44 1a54 n ASN 159 Cb 0.44 0.31 -0.06 0.00 -0.61 0.00 0.00 39.78 39.87 1a54 n ASN 159 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 1a54 n VAL 160 N -2.49 0.78 -4.02 2.41 0.31 -0.05 -5.01 118.33 110.26 1a54 n VAL 160 Ca -0.14 -0.24 0.00 0.00 -0.01 0.00 0.00 64.34 63.95 1a54 n VAL 160 Cb 0.71 -1.38 0.00 0.00 -0.91 0.00 0.00 33.84 32.26 1a54 n VAL 160 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1a54 n GLY 161 N 2.43 -1.27 3.31 2.92 0.00 -0.33 -4.68 105.19 107.56 1a54 n GLY 161 Ca -0.26 -1.27 -0.27 0.00 0.00 0.00 0.00 46.02 44.22 1a54 n GLY 161 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1a54 s THR 162 N 0.00 1.92 0.00 2.61 2.01 -1.26 -4.77 115.64 116.15 1a54 s THR 162 Ca 0.00 -1.43 0.00 0.00 0.31 0.00 0.00 61.69 60.57 1a54 s THR 162 Cb 0.00 -1.68 0.00 0.00 0.01 0.00 0.00 72.50 70.83 1a54 s THR 162 CO 0.00 0.17 0.00 0.61 -0.69 0.00 0.00 174.62 174.71 1a54 n GLY 163 N 1.48 0.41 0.20 4.40 0.00 -1.26 -4.94 105.19 105.47 1a54 n GLY 163 Ca -0.18 -0.88 0.12 0.00 0.00 0.00 0.00 46.02 45.09 1a54 n GLY 163 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1a54 h SER 164 N 0.00 0.00 -3.63 1.61 0.02 -1.87 -2.98 113.55 106.71 1a54 h SER 164 Ca 0.00 0.00 -0.27 0.00 -0.84 0.00 0.00 61.79 60.68 1a54 h SER 164 Cb 0.00 0.00 -0.31 0.00 0.14 0.00 0.00 62.40 62.23 1a54 h SER 164 CO 0.00 0.00 -0.73 -0.89 -1.14 0.00 0.00 176.83 174.07 1a54 s THR 165 N -3.21 0.01 0.23 -2.27 2.01 -1.26 -1.30 115.64 109.85 1a54 s THR 165 Ca 0.07 0.09 0.01 0.00 0.31 0.00 0.00 61.69 62.17 1a54 s THR 165 Cb 0.07 -0.08 -0.04 0.00 0.01 0.00 0.00 72.50 72.46 1a54 s THR 165 CO 0.65 0.05 0.15 0.68 -0.69 0.00 0.00 174.62 175.46 1a54 s VAL 166 N 0.53 0.11 -0.75 3.82 -7.23 -1.26 -5.01 120.40 110.61 1a54 s VAL 166 Ca -0.05 -2.00 -0.20 0.00 -1.81 0.00 0.00 61.98 57.92 1a54 s VAL 166 Cb -0.07 -2.52 0.10 0.00 0.56 0.00 0.00 36.38 34.46 1a54 s VAL 166 CO -0.01 0.00 0.97 -0.75 -0.31 0.00 0.00 175.10 174.99 1a54 s LYS 167 N -4.02 3.29 0.06 4.82 2.20 -1.26 -5.01 119.74 119.82 1a54 s LYS 167 Ca 0.39 -1.30 -0.31 0.00 -0.36 0.00 0.00 55.97 54.39 1a54 s LYS 167 Cb 0.06 -4.49 -0.08 0.00 -1.51 0.00 0.00 37.83 31.81 1a54 s LYS 167 CO 0.15 -1.74 1.62 -1.58 -0.36 0.00 0.00 175.35 173.44 1a54 s TRP 168 N 3.20 2.48 0.40 4.03 0.52 -1.26 -4.90 118.94 123.42 1a54 s TRP 168 Ca 0.24 0.38 0.07 0.00 0.02 0.00 0.00 56.10 56.80 1a54 s TRP 168 Cb -0.14 -3.93 0.84 0.00 -1.15 0.00 0.00 33.47 29.09 1a54 s TRP 168 CO 0.02 -3.70 2.05 -1.35 0.02 0.00 0.00 176.95 174.00 1a54 h PRO 169 N 8.26 0.57 -3.15 4.98 0.11 -1.90 -3.45 132.00 137.42 1a54 h PRO 169 Ca -0.42 -0.03 0.01 0.00 0.11 0.00 0.00 66.00 65.67 1a54 h PRO 169 Cb 1.20 -0.13 -0.08 0.00 0.11 0.00 0.00 31.00 32.10 1a54 h PRO 169 CO 0.93 0.38 0.13 0.96 -0.21 0.00 0.00 178.00 180.18 1a54 s ILE 170 N -5.52 0.01 0.00 4.15 -5.25 -1.26 -4.93 121.20 108.40 1a54 s ILE 170 Ca -0.08 -0.79 0.00 0.00 -0.99 0.00 0.00 60.65 58.78 1a54 s ILE 170 Cb 0.17 -1.71 0.00 0.00 2.95 0.00 0.00 42.46 43.87 1a54 s ILE 170 CO 0.73 -0.04 0.00 0.61 -1.79 0.00 0.00 174.94 174.46 1a54 n GLY 171 N -0.40 3.68 3.80 6.27 0.00 -1.26 -4.88 105.19 112.40 1a54 n GLY 171 Ca -0.08 -1.45 -0.34 0.00 0.00 0.00 0.00 46.02 44.16 1a54 n GLY 171 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1a54 s LEU 172 N 0.00 3.86 -0.20 0.99 1.43 -0.63 -4.70 118.68 119.44 1a54 s LEU 172 Ca 0.00 1.86 -0.15 0.00 -1.03 0.00 0.00 54.13 54.81 1a54 s LEU 172 Cb 0.00 -4.55 -0.04 0.00 0.03 0.00 0.00 46.19 41.63 1a54 s LEU 172 CO 0.00 -0.67 0.37 -0.83 0.23 0.00 0.00 176.35 175.45 1a54 s GLY 173 N -2.06 2.11 -0.04 -3.19 0.00 -1.26 -0.72 107.32 102.15 1a54 s GLY 173 Ca 0.66 -0.53 0.01 0.00 0.00 0.00 0.00 44.72 44.86 1a54 s GLY 173 CO 0.18 0.73 -0.06 -0.32 0.00 0.00 0.00 173.10 173.63 1a54 s GLY 174 N 0.95 1.73 -0.29 0.20 0.00 0.19 -4.63 107.32 105.47 1a54 s GLY 174 Ca 0.18 -0.93 -0.19 0.00 0.00 0.00 0.00 44.72 43.78 1a54 s GLY 174 CO 0.07 -0.73 0.59 1.25 0.00 0.00 0.00 173.10 174.27 1a54 s LYS 175 N -1.03 3.97 0.13 2.90 2.20 -1.26 -0.40 119.74 126.24 1a54 s LYS 175 Ca 0.14 0.32 0.00 0.00 -0.36 0.00 0.00 55.97 56.07 1a54 s LYS 175 Cb -0.11 -3.70 0.00 0.00 -1.51 0.00 0.00 37.83 32.51 1a54 s LYS 175 CO 0.04 -0.48 0.00 0.41 -0.36 0.00 0.00 175.35 174.96 1a54 n GLY 176 N 4.40 -2.55 0.37 5.54 0.00 -1.26 -1.51 105.19 110.18 1a54 n GLY 176 Ca -0.02 -1.38 0.03 0.00 0.00 0.00 0.00 46.02 44.65 1a54 n GLY 176 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1a54 h ASN 177 N -0.30 0.98 -0.54 1.61 2.35 -1.91 -2.19 115.58 115.58 1a54 h ASN 177 Ca -0.04 0.01 0.03 0.00 -0.55 0.00 0.00 56.30 55.75 1a54 h ASN 177 Cb 0.30 -0.20 -0.04 0.00 0.05 0.00 0.00 38.32 38.42 1a54 h ASN 177 CO 0.01 0.63 0.31 -2.24 -1.65 0.00 0.00 177.43 174.49 1a54 h ASP 178 N 1.11 0.48 -0.88 5.81 2.03 -1.95 -2.10 116.42 120.93 1a54 h ASP 178 Ca 0.41 0.01 -0.02 0.00 -0.73 0.00 0.00 57.03 56.70 1a54 h ASP 178 Cb 0.16 -0.09 -0.04 0.00 -0.83 0.00 0.00 39.33 38.54 1a54 h ASP 178 CO -0.15 0.34 0.47 1.23 -1.03 0.00 0.00 179.24 180.09 1a54 h GLY 179 N 0.61 1.32 0.91 7.15 0.00 -0.68 -0.44 103.07 111.94 1a54 h GLY 179 Ca 0.23 -0.61 -0.05 0.00 0.00 0.00 0.00 47.33 46.89 1a54 h GLY 179 CO -0.12 0.58 0.02 -2.22 0.00 0.00 0.00 176.54 174.80 1a54 h ILE 180 N 1.23 1.25 -0.79 2.60 2.04 -1.23 -1.09 117.51 121.51 1a54 h ILE 180 Ca 0.31 -0.93 0.03 0.00 1.00 0.00 0.00 64.86 65.27 1a54 h ILE 180 Cb 0.05 1.18 -0.05 0.00 -0.74 0.00 0.00 36.82 37.25 1a54 h ILE 180 CO -0.05 0.31 0.51 0.00 0.00 0.00 0.00 178.15 178.92 1a54 h ALA 181 N 0.87 1.04 -0.69 1.87 0.00 -1.14 -0.75 119.26 120.46 1a54 h ALA 181 Ca 0.10 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 1a54 h ALA 181 Cb 0.42 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 1a54 h ALA 181 CO 0.01 0.33 0.28 0.00 0.00 0.00 0.00 179.25 179.87 1a54 h ALA 182 N 1.33 0.90 -0.29 0.00 0.00 -0.82 -1.45 119.26 118.94 1a54 h ALA 182 Ca 0.32 -0.18 0.01 0.00 0.00 0.00 0.00 54.91 55.06 1a54 h ALA 182 Cb 0.00 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.50 1a54 h ALA 182 CO -0.11 0.51 0.17 0.74 0.00 0.00 0.00 179.25 180.56 1a54 h PHE 183 N 0.98 0.31 -0.77 0.00 -1.00 -0.61 -2.20 116.94 113.65 1a54 h PHE 183 Ca 0.23 0.01 -0.01 0.00 2.81 0.00 0.00 57.97 61.02 1a54 h PHE 183 Cb 0.20 -0.10 -0.04 0.00 3.61 0.00 0.00 35.95 39.63 1a54 h PHE 183 CO 0.01 0.18 0.46 0.28 -1.61 0.00 0.00 178.31 177.64 1a54 h VAL 184 N 0.34 1.22 -0.51 -0.55 2.07 -0.97 -2.08 116.25 115.77 1a54 h VAL 184 Ca 0.11 -0.49 -0.02 0.00 0.82 0.00 0.00 66.70 67.12 1a54 h VAL 184 Cb -0.00 0.15 -0.02 0.00 -1.52 0.00 0.00 31.29 29.90 1a54 h VAL 184 CO -0.05 0.23 0.22 -0.61 0.02 0.00 0.00 177.57 177.38 1a54 h GLN 185 N 1.06 0.71 -0.00 1.57 4.15 -1.11 -3.03 115.11 118.46 1a54 h GLN 185 Ca 0.28 -0.09 0.00 0.00 0.77 0.00 0.00 58.65 59.60 1a54 h GLN 185 Cb -0.03 -0.14 0.00 0.00 0.21 0.00 0.00 27.48 27.53 1a54 h GLN 185 CO -0.05 0.57 -0.42 2.89 -1.93 0.00 0.00 178.83 179.89 1a54 n ARG 186 N -4.36 0.32 -4.03 1.69 1.85 -0.84 -4.78 116.66 106.51 1a54 n ARG 186 Ca 0.04 -0.19 -0.31 0.00 -1.00 0.00 0.00 57.85 56.39 1a54 n ARG 186 Cb 0.14 -1.50 -0.15 0.00 -1.05 0.00 0.00 32.46 29.90 1a54 n ARG 186 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 1a54 s LEU 187 N -2.81 4.45 0.09 2.89 1.43 -0.82 -5.09 118.68 118.82 1a54 s LEU 187 Ca 0.16 -1.97 -0.36 0.00 -1.03 0.00 0.00 54.13 50.93 1a54 s LEU 187 Cb 0.18 -1.61 -0.17 0.00 0.03 0.00 0.00 46.19 44.62 1a54 s LEU 187 CO 0.64 -0.34 1.23 -2.65 0.23 0.00 0.00 176.35 175.46 1a54 n PRO 188 N 4.30 0.89 -0.79 1.29 -0.02 -1.26 -1.15 135.00 138.25 1a54 n PRO 188 Ca -0.01 0.32 0.00 0.00 -2.02 0.00 0.00 63.50 61.79 1a54 n PRO 188 Cb 0.42 -1.89 0.00 0.00 -0.02 0.00 0.00 33.50 32.01 1a54 n PRO 188 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1a54 n GLY 189 N 2.21 0.89 3.74 -1.23 0.00 0.16 -4.74 105.19 106.22 1a54 n GLY 189 Ca 0.18 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.88 1a54 n GLY 189 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a54 s ALA 190 N -3.55 2.12 -0.02 4.61 0.00 -0.30 -1.35 121.76 123.28 1a54 s ALA 190 Ca 0.00 0.56 0.02 0.00 0.00 0.00 0.00 51.96 52.54 1a54 s ALA 190 Cb 0.00 -3.37 0.01 0.00 0.00 0.00 0.00 23.12 19.75 1a54 s ALA 190 CO 0.00 -1.86 -0.05 -1.50 0.00 0.00 0.00 175.76 172.35 1a54 s ILE 191 N -2.47 0.48 -0.12 0.00 2.07 -0.35 -1.38 121.20 119.43 1a54 s ILE 191 Ca 0.67 -0.20 -0.15 0.00 -1.41 0.00 0.00 60.65 59.56 1a54 s ILE 191 Cb -0.22 -0.44 0.04 0.00 0.13 0.00 0.00 42.46 41.96 1a54 s ILE 191 CO 0.50 0.16 0.40 -0.83 -1.91 0.00 0.00 174.94 173.26 1a54 s GLY 192 N 0.23 -0.29 -0.12 1.50 0.00 -0.20 -0.24 107.32 108.21 1a54 s GLY 192 Ca -0.03 0.98 -0.17 0.00 0.00 0.00 0.00 44.72 45.50 1a54 s GLY 192 CO -0.00 0.80 0.44 -2.52 0.00 0.00 0.00 173.10 171.81 1a54 s TYR 193 N -0.20 3.52 0.03 1.90 -0.85 -1.26 -0.79 117.35 119.70 1a54 s TYR 193 Ca -0.04 0.84 -0.07 0.00 -0.52 0.00 0.00 57.07 57.29 1a54 s TYR 193 Cb -0.03 -2.50 -0.00 0.00 0.38 0.00 0.00 41.96 39.80 1a54 s TYR 193 CO 0.02 0.21 0.13 0.14 -1.52 0.00 0.00 175.55 174.53 1a54 s VAL 194 N 0.49 0.12 0.41 -3.49 -7.23 -0.38 -4.94 120.40 105.37 1a54 s VAL 194 Ca 0.24 -0.96 -0.26 0.00 -1.81 0.00 0.00 61.98 59.20 1a54 s VAL 194 Cb -0.15 -0.80 -0.08 0.00 0.56 0.00 0.00 36.38 35.91 1a54 s VAL 194 CO 0.09 -0.53 1.29 -0.70 -0.31 0.00 0.00 175.10 174.94 1a54 s GLU 195 N -2.34 3.93 0.26 4.82 -6.30 -1.26 -0.25 118.70 117.56 1a54 s GLU 195 Ca -0.07 2.11 -0.06 0.00 -2.50 0.00 0.00 54.97 54.46 1a54 s GLU 195 Cb -0.03 -2.71 0.50 0.00 0.00 0.00 0.00 34.13 31.89 1a54 s GLU 195 CO -0.03 -0.51 1.62 -0.92 0.02 0.00 0.00 175.26 175.44 1a54 h TYR 196 N 2.60 -0.10 -0.85 5.30 3.20 -1.33 -0.90 116.97 124.88 1a54 h TYR 196 Ca -0.50 0.06 0.22 0.00 3.14 0.00 0.00 58.73 61.65 1a54 h TYR 196 Cb 1.25 0.18 -0.13 0.00 1.54 0.00 0.00 36.73 39.56 1a54 h TYR 196 CO 0.53 -0.30 0.25 0.00 -1.64 0.00 0.00 178.16 177.01 1a54 h TYR 198 N 0.26 0.10 0.13 0.00 0.05 -1.51 0.24 116.97 116.23 1a54 h TYR 198 Ca 0.53 -0.02 -0.01 0.00 0.05 0.00 0.00 58.73 59.28 1a54 h TYR 198 Cb 1.02 -0.02 0.00 0.00 1.01 0.00 0.00 36.73 38.74 1a54 h TYR 198 CO -0.24 0.44 -0.06 0.00 -1.05 0.00 0.00 178.16 177.24 1a54 h ALA 199 N 1.56 -0.17 -0.51 3.88 0.00 -1.25 -3.12 119.26 119.65 1a54 h ALA 199 Ca 0.01 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 1a54 h ALA 199 Cb 0.67 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.50 1a54 h ALA 199 CO 0.05 -0.39 0.29 -0.22 0.00 0.00 0.00 179.25 178.98 1a54 h LYS 200 N -0.59 0.71 -0.78 0.00 3.64 -1.09 -1.21 116.57 117.25 1a54 h LYS 200 Ca -0.02 -0.08 0.09 0.00 -1.27 0.00 0.00 60.65 59.37 1a54 h LYS 200 Cb 0.46 -0.14 -0.07 0.00 -0.41 0.00 0.00 32.23 32.07 1a54 h LYS 200 CO 0.03 0.54 0.43 1.96 -2.27 0.00 0.00 179.45 180.14 1a54 h GLN 201 N 0.68 0.72 -0.31 1.90 4.20 -0.65 -2.04 115.11 119.61 1a54 h GLN 201 Ca 0.18 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.85 1a54 h GLN 201 Cb 0.03 -0.16 0.00 0.00 0.30 0.00 0.00 27.48 27.65 1a54 h GLN 201 CO -0.03 0.48 0.00 0.09 -0.67 0.00 0.00 178.83 178.70 1a54 n ASN 202 N -4.77 1.82 -3.91 1.46 3.02 -1.08 -4.94 115.26 106.87 1a54 n ASN 202 Ca 0.12 -1.93 -0.30 0.00 -0.03 0.00 0.00 54.58 52.45 1a54 n ASN 202 Cb 0.25 -0.20 0.03 0.00 -0.61 0.00 0.00 39.78 39.24 1a54 n ASN 202 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1a54 n ASN 203 N 0.47 -4.58 -4.85 6.41 5.15 -0.77 -4.96 115.26 112.13 1a54 n ASN 203 Ca 0.13 -0.78 -0.38 0.00 -0.60 0.00 0.00 54.58 52.95 1a54 n ASN 203 Cb 0.30 -3.88 -0.06 0.00 -0.53 0.00 0.00 39.78 35.61 1a54 n ASN 203 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1a54 s LEU 204 N -7.25 4.45 0.43 1.20 1.43 -0.50 -5.05 118.68 113.38 1a54 s LEU 204 Ca 0.63 0.82 -0.25 0.00 -1.03 0.00 0.00 54.13 54.29 1a54 s LEU 204 Cb -0.31 -2.43 -0.08 0.00 0.03 0.00 0.00 46.19 43.39 1a54 s LEU 204 CO 0.83 0.35 1.30 0.00 0.23 0.00 0.00 176.35 179.06 1a54 s ALA 205 N -1.04 3.19 0.21 4.21 0.00 -1.25 -4.59 121.76 122.48 1a54 s ALA 205 Ca 0.21 1.22 0.07 0.00 0.00 0.00 0.00 51.96 53.46 1a54 s ALA 205 Cb -0.15 -3.49 -0.05 0.00 0.00 0.00 0.00 23.12 19.43 1a54 s ALA 205 CO 0.11 -0.88 -0.11 1.52 0.00 0.00 0.00 175.76 176.40 1a54 s TYR 206 N -1.29 1.65 0.42 0.00 -0.85 -1.26 -0.82 117.35 115.20 1a54 s TYR 206 Ca 0.59 -0.66 -0.01 0.00 -0.52 0.00 0.00 57.07 56.47 1a54 s TYR 206 Cb -0.38 -0.82 -0.02 0.00 0.38 0.00 0.00 41.96 41.12 1a54 s TYR 206 CO 0.48 0.26 0.66 0.95 -1.52 0.00 0.00 175.55 176.37 1a54 s THR 207 N -3.09 4.60 0.65 -3.49 -4.23 -0.89 -0.81 115.64 108.38 1a54 s THR 207 Ca 0.23 -0.31 -0.08 0.00 -1.18 0.00 0.00 61.69 60.35 1a54 s THR 207 Cb 0.01 -3.71 0.02 0.00 1.34 0.00 0.00 72.50 70.16 1a54 s THR 207 CO 0.07 -0.54 1.00 -0.54 -0.54 0.00 0.00 174.62 174.06 1a54 s LYS 208 N -4.53 2.84 0.12 3.99 1.02 0.08 -4.71 119.74 118.55 1a54 s LYS 208 Ca 0.45 0.19 0.03 0.00 0.02 0.00 0.00 55.97 56.66 1a54 s LYS 208 Cb -0.10 -2.15 -0.04 0.00 -0.52 0.00 0.00 37.83 35.02 1a54 s LYS 208 CO 0.39 -0.89 -0.08 -0.51 -0.92 0.00 0.00 175.35 173.34 1a54 s LEU 209 N -5.17 2.51 -0.07 3.17 1.43 -0.97 -2.14 118.68 117.43 1a54 s LEU 209 Ca 0.56 -0.98 -0.24 0.00 -1.03 0.00 0.00 54.13 52.44 1a54 s LEU 209 Cb -0.11 -0.21 -0.04 0.00 0.03 0.00 0.00 46.19 45.87 1a54 s LEU 209 CO 0.48 -0.39 0.71 -0.63 0.23 0.00 0.00 176.35 176.76 1a54 s ILE 210 N -3.36 5.04 1.10 -0.59 -1.09 -0.90 -0.99 121.20 120.41 1a54 s ILE 210 Ca 0.13 1.47 -0.15 0.00 -2.23 0.00 0.00 60.65 59.87 1a54 s ILE 210 Cb 0.03 -4.05 0.24 0.00 -1.58 0.00 0.00 42.46 37.10 1a54 s ILE 210 CO -0.02 0.24 1.08 -0.94 -1.23 0.00 0.00 174.94 174.08 1a54 s SER 211 N 0.81 1.75 0.40 3.58 1.04 0.74 -4.76 113.70 117.27 1a54 s SER 211 Ca 0.38 1.03 0.08 0.00 0.48 0.00 0.00 55.95 57.92 1a54 s SER 211 Cb -0.18 -1.58 0.86 0.00 0.10 0.00 0.00 66.02 65.22 1a54 s SER 211 CO 0.18 -3.66 2.01 0.00 0.98 0.00 0.00 173.24 172.76 1a54 h ALA 212 N -2.26 1.78 -0.00 5.32 0.00 -1.82 0.04 119.26 122.32 1a54 h ALA 212 Ca -0.53 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.36 1a54 h ALA 212 Cb 1.32 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.96 1a54 h ALA 212 CO 0.50 0.15 -0.01 -0.25 0.00 0.00 0.00 179.25 179.63 1a54 n ASP 213 N -4.47 0.35 0.00 0.00 8.00 -1.26 -4.92 116.55 114.25 1a54 n ASP 213 Ca 0.07 -1.01 0.00 0.00 0.71 0.00 0.00 54.79 54.56 1a54 n ASP 213 Cb 0.18 -0.02 0.00 0.00 -0.02 0.00 0.00 41.12 41.26 1a54 n ASP 213 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1a54 n GLY 214 N 1.08 0.89 3.37 0.44 0.00 0.00 -5.09 105.19 105.88 1a54 n GLY 214 Ca 0.21 -0.16 -0.30 0.00 0.00 0.00 0.00 46.02 45.77 1a54 n GLY 214 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1a54 s LYS 215 N -0.47 1.92 0.18 1.61 1.02 -1.26 -4.80 119.74 117.93 1a54 s LYS 215 Ca 0.00 -1.05 -0.31 0.00 0.02 0.00 0.00 55.97 54.64 1a54 s LYS 215 Cb 0.00 -2.05 -0.09 0.00 -0.52 0.00 0.00 37.83 35.17 1a54 s LYS 215 CO 0.00 0.53 1.38 -1.25 -0.92 0.00 0.00 175.35 175.08 1a54 s PRO 216 N -1.20 4.33 0.03 -1.68 0.04 -1.26 -0.19 135.00 135.07 1a54 s PRO 216 Ca 0.12 2.13 0.04 0.00 0.04 0.00 0.00 61.00 63.33 1a54 s PRO 216 Cb -0.10 -3.19 -0.02 0.00 0.04 0.00 0.00 34.50 31.23 1a54 s PRO 216 CO 0.02 -0.36 -0.13 0.14 0.04 0.00 0.00 177.00 176.71 1a54 s VAL 217 N 0.46 1.02 0.07 -0.36 -7.23 -0.16 -4.90 120.40 109.30 1a54 s VAL 217 Ca 0.60 -0.91 -0.04 0.00 -1.81 0.00 0.00 61.98 59.83 1a54 s VAL 217 Cb -0.38 -0.92 -0.05 0.00 0.56 0.00 0.00 36.38 35.59 1a54 s VAL 217 CO 0.36 0.01 0.29 -0.44 -0.31 0.00 0.00 175.10 175.01 1a54 s SER 218 N -1.02 6.45 -0.35 4.85 0.01 -1.26 -2.30 113.70 120.07 1a54 s SER 218 Ca 0.01 0.47 -0.28 0.00 1.31 0.00 0.00 55.95 57.46 1a54 s SER 218 Cb -0.07 -2.05 0.02 0.00 0.21 0.00 0.00 66.02 64.13 1a54 s SER 218 CO 0.01 0.15 1.03 -2.16 0.41 0.00 0.00 173.24 172.68 1a54 s PRO 219 N -2.34 3.96 0.11 12.44 0.04 -1.26 -4.79 135.00 143.16 1a54 s PRO 219 Ca 0.35 0.86 -0.06 0.00 0.04 0.00 0.00 61.00 62.19 1a54 s PRO 219 Cb -0.13 -3.77 -0.02 0.00 0.04 0.00 0.00 34.50 30.62 1a54 s PRO 219 CO 0.23 -0.96 0.15 0.95 0.04 0.00 0.00 177.00 177.42 1a54 s THR 220 N 3.67 0.13 0.20 1.26 -4.23 -1.26 -5.02 115.64 110.39 1a54 s THR 220 Ca 0.43 -1.48 -0.10 0.00 -1.18 0.00 0.00 61.69 59.36 1a54 s THR 220 Cb -0.12 -1.64 0.14 0.00 1.34 0.00 0.00 72.50 72.23 1a54 s THR 220 CO 0.18 -0.58 1.73 -0.08 -0.54 0.00 0.00 174.62 175.33 1a54 h GLU 221 N 2.78 0.33 -0.25 3.99 4.22 -1.95 -0.03 114.58 123.68 1a54 h GLU 221 Ca -0.34 -0.02 -0.05 0.00 0.08 0.00 0.00 59.36 59.04 1a54 h GLU 221 Cb 1.20 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 30.36 1a54 h GLU 221 CO 0.56 0.22 -0.06 0.93 -2.18 0.00 0.00 179.01 178.49 1a54 h GLU 222 N 0.34 0.40 0.00 1.92 3.07 -1.96 -0.96 114.58 117.38 1a54 h GLU 222 Ca 0.30 -0.09 -0.08 0.00 -0.50 0.00 0.00 59.36 59.00 1a54 h GLU 222 Cb 0.39 -0.06 -0.01 0.00 -0.84 0.00 0.00 28.75 28.24 1a54 h GLU 222 CO -0.33 0.47 -0.37 -0.91 -1.40 0.00 0.00 179.01 176.48 1a54 h ASN 223 N 0.38 0.00 -0.25 1.42 2.35 -1.38 0.27 115.58 118.36 1a54 h ASN 223 Ca 0.08 0.00 -0.13 0.00 -0.55 0.00 0.00 56.30 55.71 1a54 h ASN 223 Cb 0.35 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.71 1a54 h ASN 223 CO 0.02 0.37 -0.33 -0.26 -1.65 0.00 0.00 177.43 175.57 1a54 h PHE 224 N 0.00 0.82 -0.76 1.19 0.04 -0.63 -1.53 116.94 116.07 1a54 h PHE 224 Ca -0.00 -0.27 0.01 0.00 2.80 0.00 0.00 57.97 60.51 1a54 h PHE 224 Cb 1.25 -0.16 -0.04 0.00 2.20 0.00 0.00 35.95 39.19 1a54 h PHE 224 CO 0.00 1.01 0.50 0.00 -0.60 0.00 0.00 178.31 179.22 1a54 h ALA 225 N 0.66 0.96 -0.81 2.45 0.00 -0.87 -2.22 119.26 119.44 1a54 h ALA 225 Ca 0.03 -0.05 0.07 0.00 0.00 0.00 0.00 54.91 54.97 1a54 h ALA 225 Cb 0.91 -0.30 -0.05 0.00 0.00 0.00 0.00 17.79 18.35 1a54 h ALA 225 CO 0.08 0.36 0.53 -0.91 0.00 0.00 0.00 179.25 179.31 1a54 h ASN 226 N 1.01 0.75 0.54 0.00 2.35 -0.38 -1.14 115.58 118.72 1a54 h ASN 226 Ca 0.28 0.01 0.00 0.00 -0.55 0.00 0.00 56.30 56.04 1a54 h ASN 226 Cb -0.10 -0.15 0.00 0.00 0.05 0.00 0.00 38.32 38.12 1a54 h ASN 226 CO -0.07 0.47 0.00 0.00 -1.65 0.00 0.00 177.43 176.19 1a54 h ALA 227 N 1.57 1.00 -0.03 -0.83 0.00 -0.97 -2.24 119.26 117.76 1a54 h ALA 227 Ca 0.36 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.27 1a54 h ALA 227 Cb 0.30 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1a54 h ALA 227 CO -0.13 0.00 -0.08 0.00 0.00 0.00 0.00 179.25 179.04 1a54 n ALA 228 N -2.05 2.65 0.25 0.00 0.00 -0.46 -4.57 120.51 116.33 1a54 n ALA 228 Ca -0.01 -0.65 0.10 0.00 0.00 0.00 0.00 53.44 52.88 1a54 n ALA 228 Cb 0.19 -0.85 0.67 0.00 0.00 0.00 0.00 19.45 19.47 1a54 n ALA 228 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1a54 h LYS 229 N 4.07 0.00 -0.18 0.00 1.57 -1.10 -1.48 116.57 119.44 1a54 h LYS 229 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1a54 h LYS 229 Cb 0.90 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.21 1a54 h LYS 229 CO 0.00 0.12 0.00 0.41 -0.57 0.00 0.00 179.45 179.41 1a54 n GLY 230 N -0.96 0.30 3.70 3.86 0.00 -1.26 -4.94 105.19 105.89 1a54 n GLY 230 Ca -0.02 -0.41 -0.42 0.00 0.00 0.00 0.00 46.02 45.16 1a54 n GLY 230 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a54 s ALA 231 N -1.78 3.50 -1.20 4.61 0.00 -0.56 -4.95 121.76 121.39 1a54 s ALA 231 Ca 0.32 0.84 -0.10 0.00 0.00 0.00 0.00 51.96 53.01 1a54 s ALA 231 Cb 0.17 -3.52 0.21 0.00 0.00 0.00 0.00 23.12 19.98 1a54 s ALA 231 CO 0.26 -0.69 1.53 -3.47 0.00 0.00 0.00 175.76 173.38 1a54 n ASP 232 N 4.70 5.41 -0.22 0.00 -0.08 -1.26 -4.82 116.55 120.27 1a54 n ASP 232 Ca 0.11 -3.09 0.27 0.00 -1.51 0.00 0.00 54.79 50.56 1a54 n ASP 232 Cb 0.45 -1.47 0.66 0.00 2.34 0.00 0.00 41.12 43.10 1a54 n ASP 232 CO 0.00 0.00 0.00 -0.50 0.12 0.00 0.00 177.20 176.82 1a54 h TRP 233 N 6.37 0.19 -0.18 -0.67 4.06 -1.93 -0.47 115.95 123.33 1a54 h TRP 233 Ca 0.30 0.01 0.05 0.00 2.06 0.00 0.00 58.89 61.31 1a54 h TRP 233 Cb 0.76 -0.06 -0.01 0.00 -1.00 0.00 0.00 29.16 28.85 1a54 h TRP 233 CO 1.08 0.04 0.18 0.66 -3.56 0.00 0.00 178.44 176.83 1a54 h SER 234 N 0.13 0.00 0.51 -3.49 4.64 -1.98 -2.52 113.55 110.84 1a54 h SER 234 Ca 0.47 0.00 -0.30 0.00 -0.47 0.00 0.00 61.79 61.49 1a54 h SER 234 Cb 1.63 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 63.73 1a54 h SER 234 CO -0.08 0.00 -1.38 0.11 -0.87 0.00 0.00 176.83 174.61 1a54 h LYS 235 N 0.00 0.31 -1.41 4.77 1.57 -1.49 -3.49 116.57 116.83 1a54 h LYS 235 Ca 0.09 -0.52 0.15 0.00 -1.87 0.00 0.00 60.65 58.49 1a54 h LYS 235 Cb 0.45 0.20 -0.24 0.00 0.08 0.00 0.00 32.23 32.71 1a54 h LYS 235 CO -0.00 1.22 0.70 -0.08 -0.57 0.00 0.00 179.45 180.72 1a54 s THR 236 N -2.63 0.00 -0.75 -0.16 -1.32 -0.95 -5.01 115.64 104.82 1a54 s THR 236 Ca -0.07 0.00 0.26 0.00 -1.21 0.00 0.00 61.69 60.67 1a54 s THR 236 Cb 0.06 -1.00 0.22 0.00 -1.51 0.00 0.00 72.50 70.28 1a54 s THR 236 CO 0.88 0.00 1.68 0.49 -2.21 0.00 0.00 174.62 175.46 1a54 n PHE 237 N 0.59 0.73 -2.22 9.09 3.72 -1.26 -4.44 117.46 123.66 1a54 n PHE 237 Ca -0.06 0.21 -0.43 0.00 -0.05 0.00 0.00 57.45 57.12 1a54 n PHE 237 Cb 0.58 -0.81 0.00 0.00 -0.94 0.00 0.00 39.48 38.31 1a54 n PHE 237 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1a54 n ALA 238 N -1.76 4.98 -2.71 4.37 0.00 -1.26 -4.91 120.51 119.23 1a54 n ALA 238 Ca 0.05 -4.07 -0.37 0.00 0.00 0.00 0.00 53.44 49.05 1a54 n ALA 238 Cb 0.42 -3.30 -0.07 0.00 0.00 0.00 0.00 19.45 16.51 1a54 n ALA 238 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1a54 s GLN 239 N 2.17 4.21 -0.16 0.00 -1.52 -1.26 -5.05 119.66 118.04 1a54 s GLN 239 Ca 0.45 0.19 -0.24 0.00 -1.95 0.00 0.00 55.36 53.81 1a54 s GLN 239 Cb 0.09 -3.40 -0.02 0.00 -0.22 0.00 0.00 33.01 29.46 1a54 s GLN 239 CO -0.02 0.29 0.78 0.34 -0.25 0.00 0.00 175.29 176.43 1a54 s ASP 240 N 0.28 6.91 -0.17 5.90 2.15 -1.26 -4.74 116.67 125.73 1a54 s ASP 240 Ca 0.19 1.11 0.16 0.00 0.43 0.00 0.00 52.55 54.44 1a54 s ASP 240 Cb -0.14 -2.43 0.37 0.00 -0.30 0.00 0.00 42.92 40.43 1a54 s ASP 240 CO 0.06 -0.34 1.23 0.18 -0.17 0.00 0.00 175.17 176.13 1a54 n LEU 241 N 5.02 2.81 -4.87 -1.34 4.77 -1.26 -4.98 117.00 117.16 1a54 n LEU 241 Ca 0.03 -3.32 -0.36 0.00 -0.03 0.00 0.00 56.01 52.33 1a54 n LEU 241 Cb 0.49 -0.49 -0.06 0.00 -2.33 0.00 0.00 43.42 41.04 1a54 n LEU 241 CO 0.47 0.90 -0.02 0.42 -1.33 0.00 0.00 177.39 177.84 1a54 s THR 242 N -2.98 5.25 -1.32 -5.08 -4.23 -1.25 -3.29 115.64 102.73 1a54 s THR 242 Ca 0.36 0.42 -0.09 0.00 -1.18 0.00 0.00 61.69 61.21 1a54 s THR 242 Cb 0.32 -3.58 0.00 0.00 1.34 0.00 0.00 72.50 70.58 1a54 s THR 242 CO 0.01 0.49 0.52 -3.20 -0.54 0.00 0.00 174.62 171.91 1a54 n ASN 243 N 1.54 -1.93 -4.90 3.99 5.15 0.99 -4.95 115.26 115.15 1a54 n ASN 243 Ca -0.14 -1.05 -0.32 0.00 -0.60 0.00 0.00 54.58 52.47 1a54 n ASN 243 Cb 0.53 -2.97 -0.05 0.00 -0.53 0.00 0.00 39.78 36.77 1a54 n ASN 243 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 1a54 s GLN 244 N -6.50 3.56 0.69 1.20 -1.52 -1.26 -4.74 119.66 111.07 1a54 s GLN 244 Ca 0.17 -0.19 -0.13 0.00 -1.95 0.00 0.00 55.36 53.26 1a54 s GLN 244 Cb -0.07 -2.97 0.01 0.00 -0.22 0.00 0.00 33.01 29.77 1a54 s GLN 244 CO 0.89 0.56 1.09 0.15 -0.25 0.00 0.00 175.29 177.73 1a54 s LYS 245 N -2.37 2.76 0.00 2.91 1.02 -1.26 -4.16 119.74 118.64 1a54 s LYS 245 Ca 0.36 1.22 0.00 0.00 0.02 0.00 0.00 55.97 57.56 1a54 s LYS 245 Cb -0.13 -1.96 0.00 0.00 -0.52 0.00 0.00 37.83 35.23 1a54 s LYS 245 CO 0.23 -1.26 0.00 0.41 -0.92 0.00 0.00 175.35 173.82 1a54 n GLY 246 N -1.05 3.65 3.77 -3.33 0.00 -1.26 -4.88 105.19 102.08 1a54 n GLY 246 Ca 0.09 -1.81 -0.39 0.00 0.00 0.00 0.00 46.02 43.91 1a54 n GLY 246 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1a54 s GLU 247 N -2.97 4.15 -1.65 1.61 0.41 -1.26 -3.37 118.70 115.61 1a54 s GLU 247 Ca 0.00 2.02 -0.13 0.00 -0.41 0.00 0.00 54.97 56.44 1a54 s GLU 247 Cb 0.00 -2.84 0.12 0.00 -1.78 0.00 0.00 34.13 29.63 1a54 s GLU 247 CO 0.00 -0.29 0.59 -0.25 -0.49 0.00 0.00 175.26 174.82 1a54 n ASP 248 N 0.36 -1.99 -4.44 -0.19 8.00 -1.26 -4.89 116.55 112.14 1a54 n ASP 248 Ca 0.03 -1.08 -0.44 0.00 0.71 0.00 0.00 54.79 54.01 1a54 n ASP 248 Cb 0.44 -2.51 -0.06 0.00 -0.02 0.00 0.00 41.12 38.97 1a54 n ASP 248 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1a54 s ALA 249 N -3.55 3.37 0.20 2.24 0.00 -1.22 -4.47 121.76 118.35 1a54 s ALA 249 Ca 0.52 -1.78 -0.32 0.00 0.00 0.00 0.00 51.96 50.38 1a54 s ALA 249 Cb -0.29 -3.40 -0.12 0.00 0.00 0.00 0.00 23.12 19.31 1a54 s ALA 249 CO 0.94 -2.08 1.73 1.87 0.00 0.00 0.00 175.76 178.22 1a54 n TRP 250 N 6.28 2.74 0.25 0.00 -0.00 -0.61 -4.63 117.44 121.46 1a54 n TRP 250 Ca -0.06 0.04 0.14 0.00 -0.00 0.00 0.00 57.50 57.61 1a54 n TRP 250 Cb 0.45 -2.67 0.38 0.00 -0.00 0.00 0.00 31.31 29.46 1a54 n TRP 250 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 177.69 176.69 1a54 h PRO 251 N 6.81 0.00 -2.33 5.87 0.13 -1.90 -3.33 132.00 137.24 1a54 h PRO 251 Ca -0.43 0.00 -0.64 0.00 -0.87 0.00 0.00 66.00 64.05 1a54 h PRO 251 Cb 1.20 0.00 -0.39 0.00 0.13 0.00 0.00 31.00 31.94 1a54 h PRO 251 CO 0.96 0.00 -0.29 -0.89 -0.23 0.00 0.00 178.00 177.55 1a54 n ILE 252 N -3.09 3.14 -4.08 -3.56 5.41 -1.26 -0.00 119.36 115.91 1a54 n ILE 252 Ca 0.03 -5.43 -0.28 0.00 1.00 0.00 0.00 62.75 58.06 1a54 n ILE 252 Cb 0.44 -1.99 -0.06 0.00 -0.71 0.00 0.00 39.64 37.32 1a54 n ILE 252 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 176.55 175.66 1a54 s THR 253 N -2.86 4.42 -0.01 1.39 2.01 -1.21 -0.40 115.64 118.98 1a54 s THR 253 Ca 0.39 -0.97 -0.23 0.00 0.31 0.00 0.00 61.69 61.19 1a54 s THR 253 Cb 0.15 -3.20 0.05 0.00 0.01 0.00 0.00 72.50 69.51 1a54 s THR 253 CO -0.01 0.00 0.51 -0.55 -0.69 0.00 0.00 174.62 173.88 1a54 s SER 254 N -2.75 -0.44 0.40 3.53 0.15 -0.85 -3.74 113.70 110.00 1a54 s SER 254 Ca 0.30 0.36 0.00 0.00 0.70 0.00 0.00 55.95 57.31 1a54 s SER 254 Cb -0.11 0.45 0.00 0.00 -1.71 0.00 0.00 66.02 64.65 1a54 s SER 254 CO 0.22 -0.58 0.00 1.07 1.20 0.00 0.00 173.24 175.15 1a54 n THR 255 N 0.91 0.00 -3.55 6.45 5.66 -1.26 -0.86 114.28 121.63 1a54 n THR 255 Ca -0.20 0.00 -0.17 0.00 -3.05 0.00 0.00 64.05 60.63 1a54 n THR 255 Cb 0.57 -1.43 -0.06 0.00 -1.55 0.00 0.00 70.33 67.86 1a54 n THR 255 CO 0.00 0.00 0.00 0.28 -3.05 0.00 0.00 175.07 172.30 1a54 s THR 256 N 0.20 0.01 0.14 1.09 -1.32 -1.20 -4.80 115.64 109.76 1a54 s THR 256 Ca 0.00 -0.06 0.08 0.00 -1.21 0.00 0.00 61.69 60.50 1a54 s THR 256 Cb 0.00 -0.95 -0.04 0.00 -1.51 0.00 0.00 72.50 70.00 1a54 s THR 256 CO 0.00 -0.03 -0.19 -0.36 -2.21 0.00 0.00 174.62 171.83 1a54 s PHE 257 N -1.30 1.77 -0.08 9.09 0.08 0.02 -1.53 117.98 126.03 1a54 s PHE 257 Ca -0.11 -0.46 0.01 0.00 0.12 0.00 0.00 56.93 56.49 1a54 s PHE 257 Cb -0.01 -0.91 -0.03 0.00 -0.57 0.00 0.00 43.02 41.50 1a54 s PHE 257 CO 0.08 0.27 -0.10 0.42 -0.10 0.00 0.00 175.22 175.80 1a54 s ILE 258 N -1.77 3.41 -0.17 0.64 -1.09 0.34 -1.39 121.20 121.17 1a54 s ILE 258 Ca 0.12 -0.57 -0.01 0.00 -2.23 0.00 0.00 60.65 57.96 1a54 s ILE 258 Cb -0.07 -2.39 -0.01 0.00 -1.58 0.00 0.00 42.46 38.41 1a54 s ILE 258 CO 0.06 0.57 -0.12 -0.76 -1.23 0.00 0.00 174.94 173.46 1a54 s LEU 259 N -0.47 2.65 0.14 2.97 1.43 -0.06 -1.45 118.68 123.89 1a54 s LEU 259 Ca 0.06 -0.42 0.03 0.00 -1.03 0.00 0.00 54.13 52.78 1a54 s LEU 259 Cb -0.12 -1.62 -0.04 0.00 0.03 0.00 0.00 46.19 44.43 1a54 s LEU 259 CO 0.02 0.07 -0.06 0.27 0.23 0.00 0.00 176.35 176.89 1a54 s ILE 260 N 0.91 0.88 0.34 -0.59 -4.36 -0.73 -1.20 121.20 116.45 1a54 s ILE 260 Ca -0.03 -2.00 -0.26 0.00 -0.26 0.00 0.00 60.65 58.10 1a54 s ILE 260 Cb -0.15 -1.91 -0.09 0.00 1.25 0.00 0.00 42.46 41.56 1a54 s ILE 260 CO -0.01 -0.68 1.03 -1.00 0.24 0.00 0.00 174.94 174.53 1a54 s HIS 261 N -3.51 3.50 0.12 1.37 3.76 -1.26 -0.37 115.29 118.89 1a54 s HIS 261 Ca 0.18 1.71 -0.07 0.00 -0.15 0.00 0.00 55.06 56.73 1a54 s HIS 261 Cb 0.05 -3.12 -0.11 0.00 1.11 0.00 0.00 32.58 30.50 1a54 s HIS 261 CO 0.00 -0.36 1.30 0.87 -0.85 0.00 0.00 174.74 175.70 1a54 h LYS 262 N 3.14 0.52 -4.31 1.40 1.57 -1.31 -3.39 116.57 114.19 1a54 h LYS 262 Ca -0.47 -0.52 -0.74 0.00 -1.87 0.00 0.00 60.65 57.05 1a54 h LYS 262 Cb 1.21 0.14 -0.23 0.00 0.08 0.00 0.00 32.23 33.43 1a54 h LYS 262 CO 0.65 1.16 -0.34 0.34 -0.57 0.00 0.00 179.45 180.68 1a54 s ASP 263 N -7.12 6.12 -0.41 0.86 -1.08 -1.26 -1.10 116.67 112.68 1a54 s ASP 263 Ca -0.07 -1.33 -0.23 0.00 -0.52 0.00 0.00 52.55 50.40 1a54 s ASP 263 Cb 0.09 -2.17 0.02 0.00 -1.46 0.00 0.00 42.92 39.39 1a54 s ASP 263 CO 0.88 -0.64 0.76 -1.10 0.52 0.00 0.00 175.17 175.59 1a54 s GLN 264 N 1.63 3.56 0.26 4.34 -1.52 0.38 -4.90 119.66 123.41 1a54 s GLN 264 Ca 0.04 0.05 0.25 0.00 -1.95 0.00 0.00 55.36 53.75 1a54 s GLN 264 Cb -0.24 -3.88 0.64 0.00 -0.22 0.00 0.00 33.01 29.31 1a54 s GLN 264 CO 0.06 -0.97 1.68 0.87 -0.25 0.00 0.00 175.29 176.69 1a54 h LYS 265 N 8.73 0.00 -2.97 2.91 1.79 -1.95 -3.31 116.57 121.76 1a54 h LYS 265 Ca -0.25 0.00 -0.62 0.00 -2.18 0.00 0.00 60.65 57.60 1a54 h LYS 265 Cb 1.09 0.00 -0.41 0.00 -1.58 0.00 0.00 32.23 31.33 1a54 h LYS 265 CO 0.92 0.00 -0.63 0.15 -1.08 0.00 0.00 179.45 178.81 1a54 s LYS 266 N -3.14 2.22 0.44 3.15 1.02 -1.26 -4.98 119.74 117.19 1a54 s LYS 266 Ca 0.09 -3.16 0.17 0.00 0.02 0.00 0.00 55.97 53.10 1a54 s LYS 266 Cb 0.11 -3.11 1.02 0.00 -0.52 0.00 0.00 37.83 35.33 1a54 s LYS 266 CO 0.63 -1.30 1.95 -1.00 -0.92 0.00 0.00 175.35 174.71 1a54 h PRO 267 N 5.44 0.00 -0.49 -1.68 0.13 -1.97 -1.60 132.00 131.83 1a54 h PRO 267 Ca 0.16 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 65.17 1a54 h PRO 267 Cb 0.78 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.89 1a54 h PRO 267 CO 0.66 0.23 -0.19 0.93 -0.23 0.00 0.00 178.00 179.40 1a54 h GLU 268 N 0.00 0.99 -0.58 0.86 5.08 -1.93 -0.54 114.58 118.47 1a54 h GLU 268 Ca -0.00 -0.42 -0.02 0.00 -1.00 0.00 0.00 59.36 57.92 1a54 h GLU 268 Cb 0.44 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.63 1a54 h GLU 268 CO 0.03 1.09 0.29 1.96 -1.00 0.00 0.00 179.01 181.38 1a54 h GLN 269 N 0.85 0.82 -0.40 2.33 1.08 -1.76 -2.11 115.11 115.92 1a54 h GLN 269 Ca 0.11 -0.11 -0.01 0.00 -1.45 0.00 0.00 58.65 57.20 1a54 h GLN 269 Cb 0.77 -0.15 -0.02 0.00 -0.05 0.00 0.00 27.48 28.03 1a54 h GLN 269 CO 0.06 0.66 0.23 0.78 -0.95 0.00 0.00 178.83 179.61 1a54 h GLY 270 N 0.78 0.59 0.52 3.46 0.00 -1.20 0.07 103.07 107.30 1a54 h GLY 270 Ca 0.20 -0.26 0.10 0.00 0.00 0.00 0.00 47.33 47.37 1a54 h GLY 270 CO -0.03 0.25 0.55 -0.84 0.00 0.00 0.00 176.54 176.48 1a54 h THR 271 N 0.52 0.93 -0.19 4.70 2.02 -0.93 -1.12 112.91 118.85 1a54 h THR 271 Ca 0.14 -0.31 -0.14 0.00 0.77 0.00 0.00 66.41 66.87 1a54 h THR 271 Cb 0.03 -0.06 -0.01 0.00 -1.74 0.00 0.00 68.15 66.37 1a54 h THR 271 CO -0.02 0.17 -0.48 -0.33 0.37 0.00 0.00 175.52 175.22 1a54 h GLU 272 N 0.91 0.50 -0.48 6.66 4.39 -0.64 -1.11 114.58 124.82 1a54 h GLU 272 Ca 0.44 -0.28 -0.02 0.00 0.34 0.00 0.00 59.36 59.84 1a54 h GLU 272 Cb 0.39 0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 29.04 1a54 h GLU 272 CO -0.25 0.87 0.22 0.28 -1.16 0.00 0.00 179.01 178.98 1a54 h VAL 273 N 0.40 1.19 -0.77 3.13 2.07 -0.56 -1.54 116.25 120.17 1a54 h VAL 273 Ca 0.02 -0.55 -0.05 0.00 0.82 0.00 0.00 66.70 66.94 1a54 h VAL 273 Cb 0.99 0.67 -0.03 0.00 -1.52 0.00 0.00 31.29 31.40 1a54 h VAL 273 CO 0.09 0.21 0.29 -0.07 0.02 0.00 0.00 177.57 178.12 1a54 h LEU 274 N 0.63 1.07 -1.15 2.57 3.38 -0.95 -2.11 115.31 118.75 1a54 h LEU 274 Ca 0.16 -0.17 -0.05 0.00 0.09 0.00 0.00 57.88 57.91 1a54 h LEU 274 Cb 0.13 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.58 1a54 h LEU 274 CO -0.02 0.95 0.01 0.11 0.09 0.00 0.00 178.44 179.58 1a54 h LYS 275 N 1.12 0.60 0.24 1.13 1.57 -0.99 0.10 116.57 120.34 1a54 h LYS 275 Ca 0.25 -0.14 -0.01 0.00 -1.87 0.00 0.00 60.65 58.89 1a54 h LYS 275 Cb 0.23 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.46 1a54 h LYS 275 CO -0.02 0.62 -0.12 0.35 -0.57 0.00 0.00 179.45 179.71 1a54 h PHE 276 N 0.58 -0.30 -0.15 -1.35 3.57 -0.91 -0.06 116.94 118.32 1a54 h PHE 276 Ca 0.12 -0.01 -0.10 0.00 3.53 0.00 0.00 57.97 61.52 1a54 h PHE 276 Cb 0.35 0.10 -0.01 0.00 2.79 0.00 0.00 35.95 39.18 1a54 h PHE 276 CO 0.01 -0.04 -0.34 0.74 -2.23 0.00 0.00 178.31 176.46 1a54 h PHE 277 N -0.54 0.35 -0.50 0.41 0.04 -1.20 -0.78 116.94 114.72 1a54 h PHE 277 Ca -0.03 -0.08 -0.04 0.00 2.80 0.00 0.00 57.97 60.61 1a54 h PHE 277 Cb 0.40 -0.08 -0.02 0.00 2.20 0.00 0.00 35.95 38.45 1a54 h PHE 277 CO -0.00 0.61 0.14 0.22 -0.60 0.00 0.00 178.31 178.68 1a54 h ASP 278 N 0.26 0.74 -0.89 2.17 3.58 -0.71 -0.88 116.42 120.69 1a54 h ASP 278 Ca 0.03 -0.22 0.04 0.00 0.42 0.00 0.00 57.03 57.30 1a54 h ASP 278 Cb 0.73 -0.20 -0.06 0.00 1.72 0.00 0.00 39.33 41.53 1a54 h ASP 278 CO 0.06 0.77 0.57 -0.25 -2.88 0.00 0.00 179.24 177.51 1a54 h TRP 279 N 0.68 1.07 -0.65 0.28 7.01 -0.69 -0.73 115.95 122.92 1a54 h TRP 279 Ca 0.16 0.03 -0.07 0.00 2.11 0.00 0.00 58.89 61.11 1a54 h TRP 279 Cb 0.31 -0.36 -0.03 0.00 -2.10 0.00 0.00 29.16 26.98 1a54 h TRP 279 CO 0.02 0.60 0.12 0.00 -2.79 0.00 0.00 178.44 176.39 1a54 h ALA 280 N 1.38 0.99 -0.69 2.65 0.00 -0.51 0.49 119.26 123.57 1a54 h ALA 280 Ca 0.36 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 1a54 h ALA 280 Cb 0.04 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.55 1a54 h ALA 280 CO -0.13 0.64 0.34 1.88 0.00 0.00 0.00 179.25 181.98 1a54 h TYR 281 N 0.99 0.98 -0.03 0.00 0.05 -0.73 -0.04 116.97 118.19 1a54 h TYR 281 Ca 0.20 -0.04 -0.02 0.00 0.05 0.00 0.00 58.73 58.92 1a54 h TYR 281 Cb 0.40 -0.31 -0.00 0.00 1.01 0.00 0.00 36.73 37.84 1a54 h TYR 281 CO 0.03 0.73 -0.05 0.87 -1.05 0.00 0.00 178.16 178.68 1a54 h LYS 282 N 0.95 0.09 -0.00 4.88 1.57 -0.69 -3.40 116.57 119.97 1a54 h LYS 282 Ca 0.24 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.96 1a54 h LYS 282 Cb 0.10 0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.42 1a54 h LYS 282 CO -0.03 0.62 -0.01 0.25 -0.57 0.00 0.00 179.45 179.71 1a54 n THR 283 N -4.74 0.00 0.52 -0.16 -2.24 0.12 -4.82 114.28 102.96 1a54 n THR 283 Ca -0.08 -0.50 0.11 0.00 -2.27 0.00 0.00 64.05 61.31 1a54 n THR 283 Cb 0.31 1.00 0.26 0.00 -2.10 0.00 0.00 70.33 69.81 1a54 n THR 283 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1a54 n GLY 284 N 0.79 1.36 0.27 3.38 0.00 -0.03 -4.47 105.19 106.48 1a54 n GLY 284 Ca 0.00 -0.64 -0.06 0.00 0.00 0.00 0.00 46.02 45.32 1a54 n GLY 284 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a54 h ALA 285 N 4.32 0.97 -0.59 4.61 0.00 -1.81 -1.87 119.26 124.89 1a54 h ALA 285 Ca 0.00 -0.34 -0.08 0.00 0.00 0.00 0.00 54.91 54.49 1a54 h ALA 285 Cb 0.82 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 1a54 h ALA 285 CO 0.00 0.60 0.05 -0.22 0.00 0.00 0.00 179.25 179.68 1a54 h LYS 286 N 0.66 0.98 -0.51 0.00 3.64 -1.95 0.17 116.57 119.57 1a54 h LYS 286 Ca 0.11 -0.27 -0.11 0.00 -1.27 0.00 0.00 60.65 59.11 1a54 h LYS 286 Cb 0.64 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 32.33 1a54 h LYS 286 CO 0.04 0.94 -0.11 1.96 -2.27 0.00 0.00 179.45 180.01 1a54 h GLN 287 N 0.91 0.94 -0.35 1.90 4.20 -1.77 0.35 115.11 121.30 1a54 h GLN 287 Ca 0.18 -0.34 -0.05 0.00 0.06 0.00 0.00 58.65 58.50 1a54 h GLN 287 Cb 0.47 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 28.17 1a54 h GLN 287 CO 0.02 1.00 0.03 0.00 -0.67 0.00 0.00 178.83 179.21 1a54 h ALA 288 N 1.02 0.47 -0.31 3.87 0.00 -0.76 -2.88 119.26 120.67 1a54 h ALA 288 Ca 0.13 -0.23 -0.07 0.00 0.00 0.00 0.00 54.91 54.74 1a54 h ALA 288 Cb 0.65 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 1a54 h ALA 288 CO 0.05 0.20 -0.12 -0.91 0.00 0.00 0.00 179.25 178.47 1a54 h ASN 289 N 0.42 0.51 -0.57 0.00 -0.26 -0.30 -0.93 115.58 114.44 1a54 h ASN 289 Ca 0.10 -0.13 0.04 0.00 -0.56 0.00 0.00 56.30 55.75 1a54 h ASN 289 Cb 0.41 -0.14 -0.03 0.00 -1.06 0.00 0.00 38.32 37.50 1a54 h ASN 289 CO 0.01 0.66 0.38 0.44 -1.06 0.00 0.00 177.43 177.86 1a54 h ASP 290 N 0.48 0.54 -0.39 5.81 3.32 -0.25 0.93 116.42 126.87 1a54 h ASP 290 Ca 0.09 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.14 1a54 h ASP 290 Cb 0.50 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 39.92 1a54 h ASP 290 CO 0.03 0.37 0.00 0.18 -1.72 0.00 0.00 179.24 178.10 1a54 n LEU 291 N -4.47 4.10 -2.47 1.55 4.77 -0.77 -4.93 117.00 114.78 1a54 n LEU 291 Ca 0.07 -2.08 -0.21 0.00 -0.03 0.00 0.00 56.01 53.77 1a54 n LEU 291 Cb 0.17 -0.61 0.00 0.00 -2.33 0.00 0.00 43.42 40.65 1a54 n LEU 291 CO 0.35 0.51 -0.19 0.47 -1.33 0.00 0.00 177.39 177.20 1a54 n ASP 292 N 0.45 -5.83 -4.76 -1.43 8.00 0.32 -4.69 116.55 108.61 1a54 n ASP 292 Ca 0.19 -0.09 -0.36 0.00 0.71 0.00 0.00 54.79 55.24 1a54 n ASP 292 Cb 0.86 -4.79 -0.08 0.00 -0.02 0.00 0.00 41.12 37.09 1a54 n ASP 292 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 1a54 s TYR 293 N -3.05 3.39 0.26 1.24 1.51 -0.43 -4.43 117.35 115.84 1a54 s TYR 293 Ca 0.08 0.32 -0.22 0.00 -1.01 0.00 0.00 57.07 56.24 1a54 s TYR 293 Cb -0.04 -1.95 -0.09 0.00 -0.11 0.00 0.00 41.96 39.77 1a54 s TYR 293 CO 0.10 0.50 0.81 0.00 -1.11 0.00 0.00 175.55 175.85 1a54 s ALA 294 N -0.55 3.33 0.47 3.71 0.00 0.60 -3.04 121.76 126.28 1a54 s ALA 294 Ca 0.11 0.31 -0.19 0.00 0.00 0.00 0.00 51.96 52.19 1a54 s ALA 294 Cb -0.12 -2.97 -0.09 0.00 0.00 0.00 0.00 23.12 19.94 1a54 s ALA 294 CO 0.02 0.27 0.98 -1.12 0.00 0.00 0.00 175.76 175.91 1a54 s SER 295 N -1.63 6.67 0.48 0.00 0.01 -1.26 -0.88 113.70 117.08 1a54 s SER 295 Ca 0.46 1.71 -0.20 0.00 1.31 0.00 0.00 55.95 59.23 1a54 s SER 295 Cb -0.18 -2.54 -0.09 0.00 0.21 0.00 0.00 66.02 63.43 1a54 s SER 295 CO 0.22 -0.55 1.02 -0.76 0.41 0.00 0.00 173.24 173.58 1a54 s LEU 296 N -3.56 3.85 0.70 2.44 1.43 -1.26 -4.83 118.68 117.45 1a54 s LEU 296 Ca 0.62 1.87 -0.16 0.00 -1.03 0.00 0.00 54.13 55.43 1a54 s LEU 296 Cb -0.11 -4.55 0.02 0.00 0.03 0.00 0.00 46.19 41.58 1a54 s LEU 296 CO 0.21 -0.71 1.26 -2.84 0.23 0.00 0.00 176.35 174.50 1a54 s PRO 297 N -3.26 2.25 0.47 1.29 0.02 -1.26 -4.82 135.00 129.68 1a54 s PRO 297 Ca 0.66 1.93 0.13 0.00 0.02 0.00 0.00 61.00 63.74 1a54 s PRO 297 Cb -0.15 -1.83 1.09 0.00 0.02 0.00 0.00 34.50 33.64 1a54 s PRO 297 CO 0.19 -1.80 2.10 -0.44 -0.33 0.00 0.00 177.00 176.72 1a54 h ASP 298 N 0.04 0.17 -0.65 2.53 3.32 -2.00 -0.85 116.42 118.97 1a54 h ASP 298 Ca -0.49 -0.01 0.04 0.00 0.02 0.00 0.00 57.03 56.59 1a54 h ASP 298 Cb 1.32 -0.04 -0.04 0.00 0.22 0.00 0.00 39.33 40.79 1a54 h ASP 298 CO 0.51 0.14 0.43 0.77 -1.72 0.00 0.00 179.24 179.37 1a54 h SER 299 N 0.19 0.64 -0.11 6.45 4.64 -2.00 -1.24 113.55 122.12 1a54 h SER 299 Ca 0.05 -0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 61.18 1a54 h SER 299 Cb 0.02 -0.14 -0.00 0.00 -0.31 0.00 0.00 62.40 61.97 1a54 h SER 299 CO -0.01 0.43 -0.60 0.58 -0.87 0.00 0.00 176.83 176.37 1a54 h VAL 300 N 0.74 1.30 -0.85 0.95 2.07 -1.50 -1.65 116.25 117.31 1a54 h VAL 300 Ca 0.27 -1.82 0.04 0.00 0.82 0.00 0.00 66.70 66.01 1a54 h VAL 300 Cb 0.13 1.77 -0.05 0.00 -1.52 0.00 0.00 31.29 31.62 1a54 h VAL 300 CO -0.08 0.58 0.54 0.58 0.02 0.00 0.00 177.57 179.21 1a54 h VAL 301 N 0.54 1.10 -0.29 2.57 2.07 -1.23 0.41 116.25 121.43 1a54 h VAL 301 Ca -0.00 -0.35 -0.07 0.00 0.82 0.00 0.00 66.70 67.09 1a54 h VAL 301 Cb 1.18 -0.01 -0.02 0.00 -1.52 0.00 0.00 31.29 30.93 1a54 h VAL 301 CO 0.12 0.19 -0.14 -0.33 0.02 0.00 0.00 177.57 177.43 1a54 h GLU 302 N 1.03 0.49 -0.45 1.57 4.39 -1.06 -0.80 114.58 119.75 1a54 h GLU 302 Ca 0.35 -0.15 -0.01 0.00 0.34 0.00 0.00 59.36 59.89 1a54 h GLU 302 Cb 0.06 -0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 28.64 1a54 h GLU 302 CO -0.13 0.63 0.23 1.96 -1.16 0.00 0.00 179.01 180.53 1a54 h GLN 303 N 0.45 0.64 -0.37 2.33 4.20 -0.36 -1.26 115.11 120.75 1a54 h GLN 303 Ca 0.08 -0.09 -0.01 0.00 0.06 0.00 0.00 58.65 58.69 1a54 h GLN 303 Cb 0.52 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 28.16 1a54 h GLN 303 CO 0.03 0.54 0.18 0.28 -0.67 0.00 0.00 178.83 179.19 1a54 h VAL 304 N 0.59 1.17 -0.41 -0.54 2.07 -0.30 -1.11 116.25 117.71 1a54 h VAL 304 Ca 0.16 -0.47 0.02 0.00 0.82 0.00 0.00 66.70 67.23 1a54 h VAL 304 Cb 0.10 0.80 -0.03 0.00 -1.52 0.00 0.00 31.29 30.64 1a54 h VAL 304 CO -0.02 0.18 0.22 0.03 0.02 0.00 0.00 177.57 178.00 1a54 h ARG 305 N 0.46 0.44 -0.58 1.57 3.08 -0.99 0.11 114.38 118.47 1a54 h ARG 305 Ca 0.13 -0.03 -0.03 0.00 0.07 0.00 0.00 59.98 60.12 1a54 h ARG 305 Cb 0.12 -0.10 -0.03 0.00 0.08 0.00 0.00 29.97 30.04 1a54 h ARG 305 CO -0.02 0.29 0.24 0.00 -1.07 0.00 0.00 179.97 179.42 1a54 h ALA 306 N 1.20 1.33 0.00 0.04 0.00 -1.11 -2.22 119.26 118.49 1a54 h ALA 306 Ca 0.17 -0.15 -0.16 0.00 0.00 0.00 0.00 54.91 54.77 1a54 h ALA 306 Cb 0.04 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 1a54 h ALA 306 CO -0.09 0.50 -0.78 0.00 0.00 0.00 0.00 179.25 178.88 1a54 h ALA 307 N 1.44 0.69 -0.93 0.00 0.00 -0.53 -2.81 119.26 117.12 1a54 h ALA 307 Ca 0.20 -0.71 -0.00 0.00 0.00 0.00 0.00 54.91 54.40 1a54 h ALA 307 Cb 0.15 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 17.76 1a54 h ALA 307 CO -0.02 0.98 0.57 -1.49 0.00 0.00 0.00 179.25 179.29 1a54 h TRP 308 N 0.00 1.22 -0.23 0.00 6.55 -0.44 0.13 115.95 123.18 1a54 h TRP 308 Ca -0.01 0.00 -0.06 0.00 0.95 0.00 0.00 58.89 59.78 1a54 h TRP 308 Cb 1.40 -0.40 -0.01 0.00 -0.86 0.00 0.00 29.16 29.28 1a54 h TRP 308 CO 0.00 0.80 -0.11 0.87 -1.05 0.00 0.00 178.44 178.95 1a54 h LYS 309 N 1.28 0.37 0.00 0.49 1.57 -1.15 -2.48 116.57 116.65 1a54 h LYS 309 Ca 0.34 -0.09 0.00 0.00 -1.87 0.00 0.00 60.65 59.02 1a54 h LYS 309 Cb -0.07 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.19 1a54 h LYS 309 CO -0.07 0.49 -1.61 0.25 -0.57 0.00 0.00 179.45 177.94 1a54 n THR 310 N -4.25 0.17 -0.04 -0.16 -2.24 -0.96 -4.62 114.28 102.18 1a54 n THR 310 Ca 0.00 -0.46 0.01 0.00 -2.27 0.00 0.00 64.05 61.33 1a54 n THR 310 Cb 0.29 -0.01 -0.13 0.00 -2.10 0.00 0.00 70.33 68.37 1a54 n THR 310 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1a54 n ASN 311 N -2.30 1.05 -4.46 3.42 3.02 0.42 -4.95 115.26 111.46 1a54 n ASN 311 Ca -0.02 0.00 -0.38 0.00 -0.03 0.00 0.00 54.58 54.15 1a54 n ASN 311 Cb 0.54 1.37 -0.12 0.00 -0.61 0.00 0.00 39.78 40.96 1a54 n ASN 311 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1a54 s ILE 312 N -2.82 4.57 0.13 2.41 -1.09 -0.94 -4.58 121.20 118.88 1a54 s ILE 312 Ca -0.07 -0.23 0.00 0.00 -2.23 0.00 0.00 60.65 58.12 1a54 s ILE 312 Cb 0.08 -3.23 -0.04 0.00 -1.58 0.00 0.00 42.46 37.69 1a54 s ILE 312 CO 0.69 0.21 0.01 -0.54 -1.23 0.00 0.00 174.94 174.08 1a54 s LYS 313 N 1.63 0.94 0.31 2.79 1.02 -0.26 -1.65 119.74 124.52 1a54 s LYS 313 Ca 0.06 -1.43 -0.01 0.00 0.02 0.00 0.00 55.97 54.60 1a54 s LYS 313 Cb -0.16 0.02 0.06 0.00 -0.52 0.00 0.00 37.83 37.23 1a54 s LYS 313 CO 0.06 -0.17 0.42 -0.40 -0.92 0.00 0.00 175.35 174.33 1a54 n ASP 314 N -0.11 0.43 0.00 2.83 5.68 -0.60 -0.47 116.55 124.31 1a54 n ASP 314 Ca -0.08 -1.39 0.12 0.00 -0.50 0.00 0.00 54.79 52.94 1a54 n ASP 314 Cb 0.63 -0.28 0.54 0.00 -1.14 0.00 0.00 41.12 40.86 1a54 n ASP 314 CO 0.00 0.00 0.00 -1.54 -1.33 0.00 0.00 177.20 174.33 1a54 n SER 315 N -3.04 0.00 -0.72 -1.12 3.41 -1.26 -1.71 113.62 109.17 1a54 n SER 315 Ca 0.06 0.39 0.12 0.00 -0.26 0.00 0.00 58.87 59.18 1a54 n SER 315 Cb 0.23 -0.46 0.33 0.00 -0.26 0.00 0.00 64.21 64.06 1a54 n SER 315 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1a54 n SER 316 N -1.46 2.21 0.00 4.04 7.64 -1.26 -4.96 113.62 119.84 1a54 n SER 316 Ca 0.07 -1.76 0.00 0.00 1.01 0.00 0.00 58.87 58.19 1a54 n SER 316 Cb 0.27 -0.08 0.00 0.00 -1.01 0.00 0.00 64.21 63.38 1a54 n SER 316 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1a54 n GLY 317 N 1.26 0.56 3.83 0.23 0.00 -0.70 -5.04 105.19 105.32 1a54 n GLY 317 Ca 0.17 -0.20 -0.37 0.00 0.00 0.00 0.00 46.02 45.62 1a54 n GLY 317 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1a54 s LYS 318 N -0.48 3.83 0.50 1.61 0.00 -1.26 -4.80 119.74 119.14 1a54 s LYS 318 Ca 0.00 0.19 -0.24 0.00 0.00 0.00 0.00 55.97 55.93 1a54 s LYS 318 Cb 0.00 -3.25 -0.07 0.00 0.00 0.00 0.00 37.83 34.51 1a54 s LYS 318 CO 0.00 0.63 1.38 -2.30 0.00 0.00 0.00 175.35 175.07 1a54 n PRO 319 N 2.19 1.96 -0.44 1.78 -0.02 -1.26 -1.55 135.00 137.65 1a54 n PRO 319 Ca -0.15 0.71 0.09 0.00 -2.02 0.00 0.00 63.50 62.12 1a54 n PRO 319 Cb 0.53 -2.58 0.29 0.00 -0.02 0.00 0.00 33.50 31.72 1a54 n PRO 319 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1a54 n LEU 320 N -0.54 4.07 0.00 2.45 4.77 -0.66 -4.86 117.00 122.23 1a54 n LEU 320 Ca 0.08 -2.28 0.00 0.00 -0.03 0.00 0.00 56.01 53.77 1a54 n LEU 320 Cb 0.43 -0.47 0.00 0.00 -2.33 0.00 0.00 43.42 41.04 1a54 n LEU 320 CO 0.56 0.83 0.00 0.00 -1.33 0.00 0.00 177.39 177.45