#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a40 s ALA 2 N 0.00 3.04 -0.28 -1.84 0.00 -1.26 -4.98 121.76 116.43 1a40 s ALA 2 Ca 0.00 -1.51 -0.02 0.00 0.00 0.00 0.00 51.96 50.43 1a40 s ALA 2 Cb 0.00 -0.77 0.04 0.00 0.00 0.00 0.00 23.12 22.39 1a40 s ALA 2 CO 0.00 0.41 -0.02 -1.12 0.00 0.00 0.00 175.76 175.04 1a40 s SER 3 N -3.08 4.73 0.11 0.00 0.01 -1.26 -0.44 113.70 113.76 1a40 s SER 3 Ca 0.27 -1.13 0.05 0.00 1.31 0.00 0.00 55.95 56.45 1a40 s SER 3 Cb -0.08 -1.70 -0.04 0.00 0.21 0.00 0.00 66.02 64.41 1a40 s SER 3 CO 0.17 -0.22 0.01 -0.76 0.41 0.00 0.00 173.24 172.85 1a40 s LEU 4 N 1.28 3.47 -0.07 2.44 1.02 0.10 -5.01 118.68 121.93 1a40 s LEU 4 Ca -0.03 -0.20 -0.00 0.00 0.02 0.00 0.00 54.13 53.91 1a40 s LEU 4 Cb -0.19 -2.18 0.02 0.00 0.02 0.00 0.00 46.19 43.86 1a40 s LEU 4 CO -0.02 0.15 -0.03 -0.89 0.02 0.00 0.00 176.35 175.58 1a40 s THR 5 N -1.40 0.57 0.14 5.49 2.01 -1.26 -1.39 115.64 119.80 1a40 s THR 5 Ca 0.26 -0.07 0.07 0.00 0.31 0.00 0.00 61.69 62.27 1a40 s THR 5 Cb -0.11 -0.64 -0.04 0.00 0.01 0.00 0.00 72.50 71.71 1a40 s THR 5 CO 0.19 0.27 -0.16 -0.83 -0.69 0.00 0.00 174.62 173.40 1a40 s GLY 6 N 1.44 1.20 -0.09 4.40 0.00 -0.04 -0.40 107.32 113.83 1a40 s GLY 6 Ca -0.02 -1.37 -0.23 0.00 0.00 0.00 0.00 44.72 43.10 1a40 s GLY 6 CO -0.03 -1.43 0.53 0.00 0.00 0.00 0.00 173.10 172.17 1a40 s ALA 7 N -2.12 -1.36 0.00 3.20 0.00 -0.88 -0.99 121.76 119.61 1a40 s ALA 7 Ca 0.12 1.10 0.00 0.00 0.00 0.00 0.00 51.96 53.17 1a40 s ALA 7 Cb -0.05 -0.25 0.00 0.00 0.00 0.00 0.00 23.12 22.82 1a40 s ALA 7 CO 0.04 -0.31 0.00 0.41 0.00 0.00 0.00 175.76 175.91 1a40 n GLY 8 N 1.58 0.18 3.53 0.00 0.00 -0.18 -0.70 105.19 109.59 1a40 n GLY 8 Ca -0.18 -0.79 -0.57 0.00 0.00 0.00 0.00 46.02 44.48 1a40 n GLY 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a40 n ALA 9 N -0.65 -2.78 0.28 4.61 0.00 -0.34 -0.38 120.51 121.23 1a40 n ALA 9 Ca 0.00 0.57 0.12 0.00 0.00 0.00 0.00 53.44 54.13 1a40 n ALA 9 Cb 0.00 -1.86 0.05 0.00 0.00 0.00 0.00 19.45 17.64 1a40 n ALA 9 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1a40 n THR 10 N 1.82 0.50 -0.20 0.00 -2.24 -1.26 -3.82 114.28 109.09 1a40 n THR 10 Ca 0.19 -0.44 -0.02 0.00 -2.27 0.00 0.00 64.05 61.52 1a40 n THR 10 Cb 0.12 -0.22 0.05 0.00 -2.10 0.00 0.00 70.33 68.17 1a40 n THR 10 CO 0.00 0.00 0.00 0.15 -0.57 0.00 0.00 175.07 174.65 1a40 h PHE 11 N 0.00 -0.38 -0.45 4.78 3.04 -2.00 -2.01 116.94 119.93 1a40 h PHE 11 Ca 0.00 0.06 0.00 0.00 3.98 0.00 0.00 57.97 62.01 1a40 h PHE 11 Cb 0.90 0.26 0.00 0.00 2.56 0.00 0.00 35.95 39.67 1a40 h PHE 11 CO 0.00 -0.27 0.00 -0.35 -2.02 0.00 0.00 178.31 175.67 1a40 n PRO 12 N -5.42 2.48 -0.34 6.41 -0.04 -1.26 -4.65 135.00 132.17 1a40 n PRO 12 Ca 0.07 -2.25 0.15 0.00 -0.04 0.00 0.00 63.50 61.42 1a40 n PRO 12 Cb 0.32 -1.45 0.36 0.00 -0.04 0.00 0.00 33.50 32.68 1a40 n PRO 12 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1a40 h ALA 13 N 3.69 1.76 -0.64 0.55 0.00 -1.46 -1.56 119.26 121.61 1a40 h ALA 13 Ca 0.00 0.08 0.03 0.00 0.00 0.00 0.00 54.91 55.03 1a40 h ALA 13 Cb 0.89 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.58 1a40 h ALA 13 CO 0.00 -0.16 0.39 -1.35 0.00 0.00 0.00 179.25 178.13 1a40 h PRO 14 N 0.68 0.74 -0.24 0.00 0.11 -1.83 -0.22 132.00 131.24 1a40 h PRO 14 Ca 0.59 -0.04 -0.20 0.00 0.11 0.00 0.00 66.00 66.46 1a40 h PRO 14 Cb 1.02 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 31.97 1a40 h PRO 14 CO -0.39 0.49 -0.63 -0.24 -0.21 0.00 0.00 178.00 177.02 1a40 h VAL 15 N 0.76 1.27 -0.86 3.15 3.04 -1.75 -1.57 116.25 120.30 1a40 h VAL 15 Ca 0.26 -1.81 -0.01 0.00 -1.01 0.00 0.00 66.70 64.13 1a40 h VAL 15 Cb 0.03 1.75 -0.04 0.00 -2.01 0.00 0.00 31.29 31.03 1a40 h VAL 15 CO -0.11 0.59 0.50 1.88 -1.01 0.00 0.00 177.57 179.42 1a40 h TYR 16 N 0.63 1.14 -0.41 3.17 0.05 -1.14 0.13 116.97 120.54 1a40 h TYR 16 Ca -0.01 -0.01 -0.10 0.00 0.05 0.00 0.00 58.73 58.66 1a40 h TYR 16 Cb 1.25 -0.37 -0.01 0.00 1.01 0.00 0.00 36.73 38.60 1a40 h TYR 16 CO 0.08 0.77 -0.15 0.00 -1.05 0.00 0.00 178.16 177.82 1a40 h ALA 17 N 1.27 0.56 -0.07 3.88 0.00 -1.02 0.67 119.26 124.56 1a40 h ALA 17 Ca 0.31 -0.34 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 1a40 h ALA 17 Cb -0.02 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.62 1a40 h ALA 17 CO -0.05 0.48 0.03 -0.22 0.00 0.00 0.00 179.25 179.48 1a40 h LYS 18 N 0.63 0.10 -0.43 0.00 3.64 -0.88 -1.31 116.57 118.32 1a40 h LYS 18 Ca 0.10 -0.02 0.05 0.00 -1.27 0.00 0.00 60.65 59.51 1a40 h LYS 18 Cb 0.69 -0.02 -0.05 0.00 -0.41 0.00 0.00 32.23 32.44 1a40 h LYS 18 CO 0.05 0.22 0.14 -1.49 -2.27 0.00 0.00 179.45 176.10 1a40 h TRP 19 N -0.04 0.26 -0.55 1.91 6.55 -0.69 -1.31 115.95 122.07 1a40 h TRP 19 Ca 0.02 0.02 0.01 0.00 0.95 0.00 0.00 58.89 59.90 1a40 h TRP 19 Cb 0.16 -0.05 -0.03 0.00 -0.86 0.00 0.00 29.16 28.37 1a40 h TRP 19 CO -0.02 0.09 0.35 0.00 -1.05 0.00 0.00 178.44 177.81 1a40 h ALA 20 N 1.28 0.70 -0.04 1.49 0.00 -0.68 0.19 119.26 122.20 1a40 h ALA 20 Ca 0.20 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 1a40 h ALA 20 Cb 0.20 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 1a40 h ALA 20 CO -0.21 0.10 0.02 0.22 0.00 0.00 0.00 179.25 179.38 1a40 h ASP 21 N 0.71 0.06 -0.70 0.00 3.58 -0.89 -1.43 116.42 117.76 1a40 h ASP 21 Ca 0.21 -0.16 -0.01 0.00 0.42 0.00 0.00 57.03 57.48 1a40 h ASP 21 Cb -0.05 -0.02 -0.03 0.00 1.72 0.00 0.00 39.33 40.95 1a40 h ASP 21 CO -0.06 0.21 0.39 0.74 -2.88 0.00 0.00 179.24 177.63 1a40 h THR 22 N -0.09 1.21 -0.81 2.25 2.02 -0.97 -1.84 112.91 114.68 1a40 h THR 22 Ca 0.01 -0.53 0.01 0.00 0.77 0.00 0.00 66.41 66.68 1a40 h THR 22 Cb 0.17 0.29 -0.04 0.00 -1.74 0.00 0.00 68.15 66.83 1a40 h THR 22 CO -0.00 0.23 0.54 0.22 0.37 0.00 0.00 175.52 176.88 1a40 h TYR 23 N 0.96 1.02 -0.48 3.16 3.20 -0.51 -1.06 116.97 123.25 1a40 h TYR 23 Ca 0.25 0.02 -0.10 0.00 3.14 0.00 0.00 58.73 62.05 1a40 h TYR 23 Cb 0.03 -0.34 -0.02 0.00 1.54 0.00 0.00 36.73 37.94 1a40 h TYR 23 CO -0.00 0.63 -0.07 0.37 -1.64 0.00 0.00 178.16 177.45 1a40 h GLN 24 N 1.09 0.90 -0.58 1.82 4.15 -0.87 0.26 115.11 121.87 1a40 h GLN 24 Ca 0.30 -0.32 -0.03 0.00 0.77 0.00 0.00 58.65 59.37 1a40 h GLN 24 Cb -0.11 -0.06 -0.03 0.00 0.21 0.00 0.00 27.48 27.49 1a40 h GLN 24 CO -0.07 0.97 0.23 0.87 -1.93 0.00 0.00 178.83 178.90 1a40 h LYS 25 N 0.75 0.85 0.03 1.69 1.57 -0.72 0.44 116.57 121.18 1a40 h LYS 25 Ca 0.13 -0.13 -0.29 0.00 -1.87 0.00 0.00 60.65 58.49 1a40 h LYS 25 Cb 0.61 -0.15 -0.04 0.00 0.08 0.00 0.00 32.23 32.73 1a40 h LYS 25 CO 0.04 0.69 -1.63 0.93 -0.57 0.00 0.00 179.45 178.91 1a40 h GLU 26 N 0.84 0.07 0.00 3.15 5.08 -1.10 -3.42 114.58 119.19 1a40 h GLU 26 Ca 0.20 -0.11 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 1a40 h GLU 26 Cb 0.16 0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.45 1a40 h GLU 26 CO -0.02 0.73 -0.18 0.25 -1.00 0.00 0.00 179.01 178.79 1a40 n THR 27 N -3.19 0.00 0.00 1.13 -2.24 0.07 -5.02 114.28 105.03 1a40 n THR 27 Ca -0.16 -0.29 0.00 0.00 -2.27 0.00 0.00 64.05 61.33 1a40 n THR 27 Cb 1.04 0.85 0.00 0.00 -2.10 0.00 0.00 70.33 70.12 1a40 n THR 27 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1a40 n GLY 28 N 1.02 3.10 3.76 3.38 0.00 0.15 -4.83 105.19 111.77 1a40 n GLY 28 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 1a40 n GLY 28 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1a40 n ASN 29 N 0.00 3.63 -4.31 1.61 3.02 -1.26 -4.72 115.26 113.24 1a40 n ASN 29 Ca 0.00 1.22 -0.35 0.00 -0.03 0.00 0.00 54.58 55.42 1a40 n ASN 29 Cb 0.00 -1.60 -0.14 0.00 -0.61 0.00 0.00 39.78 37.43 1a40 n ASN 29 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1a40 s LYS 30 N -2.10 3.33 -0.26 3.52 1.02 0.42 -3.34 119.74 122.33 1a40 s LYS 30 Ca 0.54 -0.66 -0.02 0.00 0.02 0.00 0.00 55.97 55.85 1a40 s LYS 30 Cb -0.49 -3.04 0.03 0.00 -0.52 0.00 0.00 37.83 33.81 1a40 s LYS 30 CO 0.63 -0.23 -0.03 0.08 -0.92 0.00 0.00 175.35 174.88 1a40 s VAL 31 N 1.48 3.04 -0.25 3.17 1.01 -1.26 0.02 120.40 127.60 1a40 s VAL 31 Ca 0.05 -1.02 -0.11 0.00 0.00 0.00 0.00 61.98 60.90 1a40 s VAL 31 Cb -0.15 -2.57 -0.05 0.00 0.00 0.00 0.00 36.38 33.62 1a40 s VAL 31 CO -0.03 0.15 0.21 0.21 0.00 0.00 0.00 175.10 175.64 1a40 s ASN 32 N 1.34 6.12 -0.17 3.32 3.84 -0.48 -4.86 114.94 124.04 1a40 s ASN 32 Ca -0.00 0.11 0.00 0.00 0.21 0.00 0.00 52.86 53.18 1a40 s ASN 32 Cb -0.17 -2.13 0.01 0.00 -0.55 0.00 0.00 41.25 38.41 1a40 s ASN 32 CO -0.03 -0.01 -0.16 -0.47 -2.79 0.00 0.00 177.10 173.63 1a40 s TYR 33 N 1.43 2.78 -0.31 0.43 5.04 -1.26 -0.86 117.35 124.59 1a40 s TYR 33 Ca 0.09 -1.24 -0.10 0.00 -2.44 0.00 0.00 57.07 53.38 1a40 s TYR 33 Cb -0.15 -1.91 -0.00 0.00 0.35 0.00 0.00 41.96 40.25 1a40 s TYR 33 CO 0.08 -0.60 0.15 -0.65 -1.34 0.00 0.00 175.55 173.19 1a40 s GLN 34 N 1.01 3.30 -0.87 4.97 -0.21 -0.16 -4.99 119.66 122.71 1a40 s GLN 34 Ca -0.02 -0.74 -0.24 0.00 0.02 0.00 0.00 55.36 54.38 1a40 s GLN 34 Cb -0.15 -3.57 0.05 0.00 1.00 0.00 0.00 33.01 30.35 1a40 s GLN 34 CO -0.04 -0.43 1.32 0.20 -2.12 0.00 0.00 175.29 174.22 1a40 s GLY 35 N 1.61 1.16 0.00 3.09 0.00 -1.26 -1.01 107.32 110.91 1a40 s GLY 35 Ca 0.04 -1.90 0.06 0.00 0.00 0.00 0.00 44.72 42.92 1a40 s GLY 35 CO 0.06 2.57 0.89 0.29 0.00 0.00 0.00 173.10 176.92 1a40 n ILE 36 N 6.51 0.47 0.00 0.90 -5.35 0.48 -4.88 119.36 117.49 1a40 n ILE 36 Ca 0.17 -0.74 0.00 0.00 -0.27 0.00 0.00 62.75 61.92 1a40 n ILE 36 Cb 0.50 0.83 0.00 0.00 -1.74 0.00 0.00 39.64 39.22 1a40 n ILE 36 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1a40 n GLY 37 N 0.18 1.02 0.37 3.28 0.00 0.30 -4.33 105.19 105.99 1a40 n GLY 37 Ca 0.05 -1.62 0.03 0.00 0.00 0.00 0.00 46.02 44.48 1a40 n GLY 37 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1a40 h SER 38 N 0.00 1.01 -0.59 1.61 0.02 -1.75 -0.86 113.55 113.00 1a40 h SER 38 Ca 0.00 0.02 0.01 0.00 -0.84 0.00 0.00 61.79 60.98 1a40 h SER 38 Cb 0.00 -0.20 -0.03 0.00 0.14 0.00 0.00 62.40 62.31 1a40 h SER 38 CO 0.00 0.63 0.38 0.28 -1.14 0.00 0.00 176.83 176.97 1a40 h SER 39 N 1.14 0.64 -0.66 3.07 0.02 -1.84 -0.68 113.55 115.23 1a40 h SER 39 Ca 0.44 -0.01 -0.08 0.00 -0.84 0.00 0.00 61.79 61.31 1a40 h SER 39 Cb 0.23 -0.15 -0.03 0.00 0.14 0.00 0.00 62.40 62.59 1a40 h SER 39 CO -0.19 0.46 0.11 1.23 -1.14 0.00 0.00 176.83 177.29 1a40 h GLY 40 N 0.76 1.18 0.96 -3.77 0.00 -1.61 -1.54 103.07 99.07 1a40 h GLY 40 Ca 0.22 -0.79 0.01 0.00 0.00 0.00 0.00 47.33 46.78 1a40 h GLY 40 CO -0.07 0.73 0.36 -1.33 0.00 0.00 0.00 176.54 176.23 1a40 h GLY 41 N 1.02 0.78 1.08 4.60 0.00 -0.31 0.82 103.07 111.06 1a40 h GLY 41 Ca 0.20 -0.28 -0.11 0.00 0.00 0.00 0.00 47.33 47.15 1a40 h GLY 41 CO 0.01 0.26 -0.06 -2.08 0.00 0.00 0.00 176.54 174.67 1a40 h VAL 42 N 0.72 1.27 -0.30 4.60 2.07 -1.00 -1.83 116.25 121.79 1a40 h VAL 42 Ca 0.21 -1.22 -0.01 0.00 0.82 0.00 0.00 66.70 66.50 1a40 h VAL 42 Cb -0.05 0.91 -0.01 0.00 -1.52 0.00 0.00 31.29 30.62 1a40 h VAL 42 CO -0.06 0.43 0.15 0.50 0.02 0.00 0.00 177.57 178.61 1a40 h LYS 43 N 0.92 0.43 -0.48 1.57 3.64 -0.91 -2.31 116.57 119.43 1a40 h LYS 43 Ca 0.15 -0.06 -0.04 0.00 -1.27 0.00 0.00 60.65 59.43 1a40 h LYS 43 Cb 0.63 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 32.35 1a40 h LYS 43 CO 0.04 0.40 0.13 0.37 -2.27 0.00 0.00 179.45 178.11 1a40 h GLN 44 N 0.35 0.76 -0.51 1.90 5.75 -0.74 -2.32 115.11 120.30 1a40 h GLN 44 Ca 0.10 -0.18 -0.10 0.00 -0.15 0.00 0.00 58.65 58.33 1a40 h GLN 44 Cb 0.11 -0.10 -0.02 0.00 1.07 0.00 0.00 27.48 28.54 1a40 h GLN 44 CO -0.01 0.74 -0.07 0.97 -2.65 0.00 0.00 178.83 177.81 1a40 h ILE 45 N 0.65 1.26 -0.31 2.39 6.09 -1.28 -2.20 117.51 124.11 1a40 h ILE 45 Ca 0.15 -1.16 -0.07 0.00 -1.37 0.00 0.00 64.86 62.41 1a40 h ILE 45 Cb 0.31 0.94 -0.02 0.00 0.47 0.00 0.00 36.82 38.53 1a40 h ILE 45 CO -0.00 0.41 -0.10 0.40 -3.07 0.00 0.00 178.15 175.79 1a40 h ILE 46 N 0.82 1.22 -0.01 2.19 2.04 -1.29 -2.17 117.51 120.32 1a40 h ILE 46 Ca 0.14 -0.98 0.00 0.00 1.00 0.00 0.00 64.86 65.02 1a40 h ILE 46 Cb 0.58 1.10 0.00 0.00 -0.74 0.00 0.00 36.82 37.76 1a40 h ILE 46 CO 0.04 0.32 -0.00 0.00 0.00 0.00 0.00 178.15 178.51 1a40 n ALA 47 N -2.48 2.65 -3.19 1.87 0.00 -0.88 -4.92 120.51 113.55 1a40 n ALA 47 Ca 0.01 -0.30 -0.22 0.00 0.00 0.00 0.00 53.44 52.93 1a40 n ALA 47 Cb 0.31 -1.38 0.05 0.00 0.00 0.00 0.00 19.45 18.43 1a40 n ALA 47 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1a40 n ASN 48 N -0.55 -6.13 0.02 0.00 4.13 -0.82 -4.90 115.26 107.01 1a40 n ASN 48 Ca 0.22 -0.36 0.11 0.00 1.68 0.00 0.00 54.58 56.23 1a40 n ASN 48 Cb 0.21 -4.88 0.09 0.00 -1.54 0.00 0.00 39.78 33.65 1a40 n ASN 48 CO 0.00 0.00 0.00 0.41 0.28 0.00 0.00 177.26 177.95 1a40 n THR 49 N -4.65 0.11 -4.08 3.41 -1.04 -0.88 -4.94 114.28 102.21 1a40 n THR 49 Ca -0.07 -0.13 -0.07 0.00 -2.04 0.00 0.00 64.05 61.73 1a40 n THR 49 Cb 0.60 0.31 -0.10 0.00 -1.82 0.00 0.00 70.33 69.32 1a40 n THR 49 CO 0.00 0.00 0.00 0.68 -0.64 0.00 0.00 175.07 175.11 1a40 s VAL 50 N -3.10 0.22 0.23 12.58 -7.23 -1.26 -5.05 120.40 116.79 1a40 s VAL 50 Ca 0.07 -1.70 0.13 0.00 -1.81 0.00 0.00 61.98 58.67 1a40 s VAL 50 Cb 0.16 -1.37 0.03 0.00 0.56 0.00 0.00 36.38 35.76 1a40 s VAL 50 CO 0.77 -0.93 1.66 0.44 -0.31 0.00 0.00 175.10 176.72 1a40 h ASP 51 N 3.33 0.00 -4.19 4.85 3.32 -1.09 -3.45 116.42 119.19 1a40 h ASP 51 Ca -0.34 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 56.60 1a40 h ASP 51 Cb 1.15 0.00 -0.23 0.00 0.22 0.00 0.00 39.33 40.47 1a40 h ASP 51 CO 0.63 0.53 -0.21 0.72 -1.72 0.00 0.00 179.24 179.19 1a40 s PHE 52 N -3.61 -0.41 0.43 4.55 -0.12 -1.03 -4.72 117.98 113.06 1a40 s PHE 52 Ca -0.01 0.95 0.08 0.00 -0.05 0.00 0.00 56.93 57.89 1a40 s PHE 52 Cb 0.12 0.16 -0.01 0.00 -0.63 0.00 0.00 43.02 42.66 1a40 s PHE 52 CO 0.74 -0.28 0.44 0.20 -0.05 0.00 0.00 175.22 176.26 1a40 s GLY 53 N -0.19 2.09 -0.07 1.99 0.00 0.68 -2.07 107.32 109.76 1a40 s GLY 53 Ca -0.04 -1.83 -0.03 0.00 0.00 0.00 0.00 44.72 42.82 1a40 s GLY 53 CO 0.02 -1.66 0.16 0.00 0.00 0.00 0.00 173.10 171.62 1a40 s ALA 54 N -2.46 -0.32 -0.05 3.20 0.00 0.12 -0.52 121.76 121.73 1a40 s ALA 54 Ca 0.50 0.69 -0.04 0.00 0.00 0.00 0.00 51.96 53.10 1a40 s ALA 54 Cb -0.05 -0.45 0.02 0.00 0.00 0.00 0.00 23.12 22.64 1a40 s ALA 54 CO 0.29 -0.15 0.14 0.45 0.00 0.00 0.00 175.76 176.49 1a40 s SER 55 N 1.05 -0.14 0.29 0.00 0.15 -0.47 -1.20 113.70 113.38 1a40 s SER 55 Ca -0.08 0.28 0.16 0.00 0.70 0.00 0.00 55.95 57.01 1a40 s SER 55 Cb -0.10 0.26 0.19 0.00 -1.71 0.00 0.00 66.02 64.67 1a40 s SER 55 CO -0.06 -0.07 1.50 0.44 1.20 0.00 0.00 173.24 176.26 1a40 h ASP 56 N 6.19 0.00 -3.30 5.45 3.32 -1.87 0.51 116.42 126.72 1a40 h ASP 56 Ca -0.29 0.00 -0.58 0.00 0.02 0.00 0.00 57.03 56.18 1a40 h ASP 56 Cb 1.19 0.00 -0.08 0.00 0.22 0.00 0.00 39.33 40.66 1a40 h ASP 56 CO 0.42 0.50 0.40 0.00 -1.72 0.00 0.00 179.24 178.84 1a40 s ALA 57 N -3.09 3.56 0.35 3.45 0.00 -1.26 -4.61 121.76 120.17 1a40 s ALA 57 Ca 0.03 -0.04 -0.25 0.00 0.00 0.00 0.00 51.96 51.70 1a40 s ALA 57 Cb 0.08 -3.23 -0.10 0.00 0.00 0.00 0.00 23.12 19.87 1a40 s ALA 57 CO 0.73 -0.74 0.99 -1.25 0.00 0.00 0.00 175.76 175.50 1a40 s PRO 58 N 2.37 4.43 0.21 0.00 0.04 -1.26 -4.92 135.00 135.87 1a40 s PRO 58 Ca 0.37 1.41 -0.20 0.00 0.04 0.00 0.00 61.00 62.62 1a40 s PRO 58 Cb -0.16 -2.71 -0.08 0.00 0.04 0.00 0.00 34.50 31.58 1a40 s PRO 58 CO 0.10 0.12 0.72 -0.51 0.04 0.00 0.00 177.00 177.48 1a40 s LEU 59 N -2.26 4.37 0.78 -3.56 1.02 -1.26 -5.05 118.68 112.72 1a40 s LEU 59 Ca 0.53 1.44 -0.12 0.00 0.02 0.00 0.00 54.13 56.00 1a40 s LEU 59 Cb -0.20 -3.54 0.06 0.00 0.02 0.00 0.00 46.19 42.53 1a40 s LEU 59 CO 0.26 0.06 1.12 -0.94 0.02 0.00 0.00 176.35 176.87 1a40 s SER 60 N -1.58 4.24 0.34 2.29 1.04 -1.26 -4.78 113.70 113.99 1a40 s SER 60 Ca 0.42 2.01 0.07 0.00 0.48 0.00 0.00 55.95 58.92 1a40 s SER 60 Cb -0.17 -2.55 0.75 0.00 0.10 0.00 0.00 66.02 64.15 1a40 s SER 60 CO 0.21 -2.22 1.87 0.44 0.98 0.00 0.00 173.24 174.53 1a40 h ASP 61 N -0.95 0.71 -0.32 7.02 3.32 -1.99 -0.18 116.42 124.03 1a40 h ASP 61 Ca -0.45 0.04 -0.10 0.00 0.02 0.00 0.00 57.03 56.54 1a40 h ASP 61 Cb 1.25 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 40.69 1a40 h ASP 61 CO 0.49 0.38 -0.19 -0.08 -1.72 0.00 0.00 179.24 178.12 1a40 h GLU 62 N 0.77 0.69 -0.60 3.56 4.81 -1.99 -1.13 114.58 120.70 1a40 h GLU 62 Ca 0.44 -0.32 -0.03 0.00 -0.13 0.00 0.00 59.36 59.33 1a40 h GLU 62 Cb 0.62 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.96 1a40 h GLU 62 CO -0.20 0.92 0.26 -0.22 -0.73 0.00 0.00 179.01 179.03 1a40 h LYS 63 N 0.46 0.88 -0.47 1.92 1.63 -1.70 0.58 116.57 119.87 1a40 h LYS 63 Ca 0.07 -0.15 -0.00 0.00 -0.85 0.00 0.00 60.65 59.72 1a40 h LYS 63 Cb 0.73 -0.15 -0.02 0.00 -0.60 0.00 0.00 32.23 32.19 1a40 h LYS 63 CO 0.05 0.74 0.29 -0.07 -3.45 0.00 0.00 179.45 177.00 1a40 h LEU 64 N 0.82 0.56 -0.74 5.20 3.38 -0.98 -1.39 115.31 122.16 1a40 h LEU 64 Ca 0.20 -0.05 -0.06 0.00 0.09 0.00 0.00 57.88 58.06 1a40 h LEU 64 Cb 0.17 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.75 1a40 h LEU 64 CO -0.02 0.45 0.24 0.00 0.09 0.00 0.00 178.44 179.20 1a40 h ALA 65 N 1.14 0.96 -0.39 1.53 0.00 -0.76 0.45 119.26 122.20 1a40 h ALA 65 Ca 0.17 -0.22 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 1a40 h ALA 65 Cb -0.01 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.47 1a40 h ALA 65 CO -0.03 0.64 0.05 1.96 0.00 0.00 0.00 179.25 181.87 1a40 h GLN 66 N 1.09 0.59 -0.04 0.00 4.20 -0.53 -2.82 115.11 117.61 1a40 h GLN 66 Ca 0.24 -0.12 0.00 0.00 0.06 0.00 0.00 58.65 58.83 1a40 h GLN 66 Cb 0.29 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 27.98 1a40 h GLN 66 CO -0.01 0.58 0.00 0.39 -0.67 0.00 0.00 178.83 179.12 1a40 n GLU 67 N -4.30 2.04 -2.75 1.46 -0.58 -0.56 -4.96 120.64 111.00 1a40 n GLU 67 Ca 0.02 -1.52 -0.20 0.00 -0.42 0.00 0.00 57.16 55.05 1a40 n GLU 67 Cb 0.22 -1.47 0.02 0.00 -0.57 0.00 0.00 31.44 29.64 1a40 n GLU 67 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1a40 n GLY 68 N 1.28 -0.41 3.74 0.62 0.00 -0.01 -4.96 105.19 105.44 1a40 n GLY 68 Ca 0.16 -0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.96 1a40 n GLY 68 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1a40 s LEU 69 N -5.87 3.49 0.00 0.99 1.43 -0.25 -1.39 118.68 117.08 1a40 s LEU 69 Ca 0.18 -0.47 0.05 0.00 -1.03 0.00 0.00 54.13 52.86 1a40 s LEU 69 Cb -0.08 -2.01 -0.02 0.00 0.03 0.00 0.00 46.19 44.11 1a40 s LEU 69 CO 0.23 -0.04 -0.17 0.12 0.23 0.00 0.00 176.35 176.72 1a40 s PHE 70 N -2.25 1.48 -0.02 0.29 5.36 0.04 -4.50 117.98 118.39 1a40 s PHE 70 Ca 0.33 -0.30 0.05 0.00 -0.96 0.00 0.00 56.93 56.05 1a40 s PHE 70 Cb -0.07 -0.94 -0.01 0.00 -0.34 0.00 0.00 43.02 41.66 1a40 s PHE 70 CO 0.22 -0.00 -0.17 -1.14 -1.46 0.00 0.00 175.22 172.67 1a40 s GLN 71 N -0.57 1.40 -0.02 10.12 0.74 -1.26 -1.97 119.66 128.11 1a40 s GLN 71 Ca 0.06 -0.59 -0.01 0.00 0.05 0.00 0.00 55.36 54.86 1a40 s GLN 71 Cb -0.07 -1.33 0.01 0.00 1.10 0.00 0.00 33.01 32.72 1a40 s GLN 71 CO -0.00 0.34 0.05 -0.59 -0.55 0.00 0.00 175.29 174.53 1a40 s PHE 72 N -0.32 -0.05 0.53 1.67 -0.71 -0.88 -4.96 117.98 113.26 1a40 s PHE 72 Ca 0.05 0.13 -0.18 0.00 -1.04 0.00 0.00 56.93 55.89 1a40 s PHE 72 Cb -0.07 0.00 -0.07 0.00 -1.21 0.00 0.00 43.02 41.68 1a40 s PHE 72 CO -0.00 -0.03 1.03 -1.25 -1.34 0.00 0.00 175.22 173.63 1a40 s PRO 73 N 0.09 3.66 -0.02 1.99 0.04 -1.26 -1.23 135.00 138.26 1a40 s PRO 73 Ca -0.01 1.19 -0.03 0.00 0.04 0.00 0.00 61.00 62.20 1a40 s PRO 73 Cb -0.01 -2.08 -0.02 0.00 0.04 0.00 0.00 34.50 32.43 1a40 s PRO 73 CO -0.00 -0.53 -0.07 0.25 0.04 0.00 0.00 177.00 176.69 1a40 n THR 74 N -1.51 0.64 -4.14 1.26 -2.24 -0.68 -4.93 114.28 102.68 1a40 n THR 74 Ca 0.08 0.06 -0.13 0.00 -2.27 0.00 0.00 64.05 61.80 1a40 n THR 74 Cb 0.53 -1.63 -0.07 0.00 -2.10 0.00 0.00 70.33 67.05 1a40 n THR 74 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 1a40 s VAL 75 N -2.13 0.00 -0.16 2.28 -7.23 -1.26 -4.41 120.40 107.49 1a40 s VAL 75 Ca -0.07 -1.76 0.02 0.00 -1.81 0.00 0.00 61.98 58.35 1a40 s VAL 75 Cb 0.02 -2.46 0.01 0.00 0.56 0.00 0.00 36.38 34.52 1a40 s VAL 75 CO 0.10 0.00 -0.21 -0.63 -0.31 0.00 0.00 175.10 174.05 1a40 s ILE 76 N -3.77 2.06 0.13 -0.62 1.01 -0.02 -3.33 121.20 116.66 1a40 s ILE 76 Ca 0.33 -0.96 0.00 0.00 0.00 0.00 0.00 60.65 60.02 1a40 s ILE 76 Cb 0.03 -1.84 -0.00 0.00 0.01 0.00 0.00 42.46 40.66 1a40 s ILE 76 CO 0.15 0.55 0.01 0.61 0.00 0.00 0.00 174.94 176.26 1a40 n GLY 77 N 4.29 4.01 3.01 6.18 0.00 -0.25 0.39 105.19 122.81 1a40 n GLY 77 Ca -0.20 -2.22 -0.10 0.00 0.00 0.00 0.00 46.02 43.50 1a40 n GLY 77 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1a40 s GLY 78 N -1.75 0.13 -0.18 -0.02 0.00 -1.26 -2.28 107.32 101.96 1a40 s GLY 78 Ca 0.01 -0.32 -0.09 0.00 0.00 0.00 0.00 44.72 44.32 1a40 s GLY 78 CO 0.01 -0.40 0.12 0.14 0.00 0.00 0.00 173.10 172.97 1a40 s VAL 79 N -1.18 5.36 0.18 1.40 1.01 0.11 -0.46 120.40 126.84 1a40 s VAL 79 Ca -0.13 0.17 0.06 0.00 0.00 0.00 0.00 61.98 62.08 1a40 s VAL 79 Cb -0.08 -3.42 -0.05 0.00 0.00 0.00 0.00 36.38 32.84 1a40 s VAL 79 CO -0.00 0.49 -0.13 0.54 0.00 0.00 0.00 175.10 176.00 1a40 s VAL 80 N 0.02 1.50 -0.50 2.92 0.11 0.54 -4.63 120.40 120.36 1a40 s VAL 80 Ca 0.09 -2.15 -0.16 0.00 -2.93 0.00 0.00 61.98 56.83 1a40 s VAL 80 Cb -0.11 -1.97 0.09 0.00 -1.53 0.00 0.00 36.38 32.86 1a40 s VAL 80 CO -0.00 -0.65 0.47 -0.76 -3.33 0.00 0.00 175.10 170.83 1a40 s LEU 81 N -3.26 5.71 0.12 2.54 2.01 -1.26 -1.34 118.68 123.20 1a40 s LEU 81 Ca 0.20 -1.43 -0.30 0.00 0.01 0.00 0.00 54.13 52.61 1a40 s LEU 81 Cb 0.01 -2.23 -0.06 0.00 0.01 0.00 0.00 46.19 43.92 1a40 s LEU 81 CO 0.04 -0.77 1.02 0.00 1.01 0.00 0.00 176.35 177.66 1a40 s ALA 82 N 1.81 3.29 0.15 4.21 0.00 0.54 -2.13 121.76 129.62 1a40 s ALA 82 Ca 0.05 0.67 0.02 0.00 0.00 0.00 0.00 51.96 52.71 1a40 s ALA 82 Cb -0.25 -3.32 -0.04 0.00 0.00 0.00 0.00 23.12 19.50 1a40 s ALA 82 CO 0.06 -0.12 -0.04 0.14 0.00 0.00 0.00 175.76 175.79 1a40 s VAL 83 N 0.06 0.82 -0.46 0.00 -7.23 0.02 -0.94 120.40 112.67 1a40 s VAL 83 Ca 0.49 -1.99 0.03 0.00 -1.81 0.00 0.00 61.98 58.70 1a40 s VAL 83 Cb -0.25 -1.93 0.15 0.00 0.56 0.00 0.00 36.38 34.91 1a40 s VAL 83 CO 0.31 -0.66 0.32 0.21 -0.31 0.00 0.00 175.10 174.97 1a40 s ASN 84 N -3.14 2.93 -0.16 4.85 3.84 -0.54 -3.78 114.94 118.95 1a40 s ASN 84 Ca 0.19 -2.94 0.01 0.00 0.21 0.00 0.00 52.86 50.32 1a40 s ASN 84 Cb 0.05 -0.82 0.00 0.00 -0.55 0.00 0.00 41.25 39.93 1a40 s ASN 84 CO 0.01 -0.20 -0.17 -0.63 -2.79 0.00 0.00 177.10 173.31 1a40 s ILE 85 N 0.03 2.45 0.02 -5.21 1.01 -1.26 0.18 121.20 118.41 1a40 s ILE 85 Ca 0.25 -0.84 -0.33 0.00 0.00 0.00 0.00 60.65 59.73 1a40 s ILE 85 Cb -0.10 -2.02 -0.12 0.00 0.01 0.00 0.00 42.46 40.23 1a40 s ILE 85 CO -0.10 0.52 1.82 -2.65 0.00 0.00 0.00 174.94 174.53 1a40 n PRO 86 N 4.19 2.36 0.00 2.79 -0.02 -1.26 -2.61 135.00 140.45 1a40 n PRO 86 Ca -0.20 0.86 0.00 0.00 -2.02 0.00 0.00 63.50 62.15 1a40 n PRO 86 Cb 0.51 -2.71 0.00 0.00 -0.02 0.00 0.00 33.50 31.28 1a40 n PRO 86 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1a40 n GLY 87 N 4.17 3.19 3.79 -1.23 0.00 -1.26 -4.59 105.19 109.26 1a40 n GLY 87 Ca 0.20 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.83 1a40 n GLY 87 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1a40 s LEU 88 N 0.00 4.55 0.30 0.99 1.02 -1.07 -5.08 118.68 119.39 1a40 s LEU 88 Ca 0.00 1.50 -0.06 0.00 0.02 0.00 0.00 54.13 55.59 1a40 s LEU 88 Cb 0.00 -3.18 -0.05 0.00 0.02 0.00 0.00 46.19 42.97 1a40 s LEU 88 CO 0.00 0.22 0.58 -0.54 0.02 0.00 0.00 176.35 176.63 1a40 s LYS 89 N -1.20 3.66 0.31 1.70 1.02 -1.26 -4.86 119.74 119.10 1a40 s LYS 89 Ca 0.34 0.08 -0.29 0.00 0.02 0.00 0.00 55.97 56.12 1a40 s LYS 89 Cb -0.21 -2.61 -0.11 0.00 -0.52 0.00 0.00 37.83 34.38 1a40 s LYS 89 CO 0.23 0.18 1.49 -1.54 -0.92 0.00 0.00 175.35 174.80 1a40 s SER 90 N -3.13 6.49 0.00 2.83 1.04 -1.26 -1.58 113.70 118.10 1a40 s SER 90 Ca 0.45 2.87 0.00 0.00 0.48 0.00 0.00 55.95 59.75 1a40 s SER 90 Cb -0.11 -2.64 0.00 0.00 0.10 0.00 0.00 66.02 63.37 1a40 s SER 90 CO 0.30 -0.80 0.00 0.61 0.98 0.00 0.00 173.24 174.32 1a40 n GLY 91 N 1.61 1.34 0.11 7.32 0.00 0.95 -4.87 105.19 111.64 1a40 n GLY 91 Ca 0.05 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.92 1a40 n GLY 91 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1a40 h GLU 92 N 3.01 0.23 -6.76 1.61 5.08 -1.50 -3.41 114.58 112.85 1a40 h GLU 92 Ca 0.00 -0.21 -0.51 0.00 -1.00 0.00 0.00 59.36 57.64 1a40 h GLU 92 Cb 0.00 0.05 0.02 0.00 0.50 0.00 0.00 28.75 29.32 1a40 h GLU 92 CO 0.00 0.89 0.51 -1.17 -1.00 0.00 0.00 179.01 178.24 1a40 s LEU 93 N -8.64 4.51 -0.09 1.33 2.96 -1.26 -4.90 118.68 112.59 1a40 s LEU 93 Ca -0.15 2.27 0.04 0.00 -0.22 0.00 0.00 54.13 56.07 1a40 s LEU 93 Cb 0.02 -3.62 -0.00 0.00 0.50 0.00 0.00 46.19 43.09 1a40 s LEU 93 CO 0.75 -0.24 -0.24 -0.69 -1.32 0.00 0.00 176.35 174.61 1a40 s VAL 94 N -0.75 2.02 0.10 1.68 1.01 -1.26 -0.01 120.40 123.19 1a40 s VAL 94 Ca 0.48 -1.01 0.06 0.00 0.00 0.00 0.00 61.98 61.51 1a40 s VAL 94 Cb -0.32 -1.74 -0.03 0.00 0.00 0.00 0.00 36.38 34.29 1a40 s VAL 94 CO 0.40 0.55 -0.16 -0.76 0.00 0.00 0.00 175.10 175.14 1a40 s LEU 95 N 0.24 2.33 0.46 3.92 1.43 -1.09 -4.68 118.68 121.30 1a40 s LEU 95 Ca -0.15 -0.71 0.06 0.00 -1.03 0.00 0.00 54.13 52.30 1a40 s LEU 95 Cb -0.17 -0.61 -0.01 0.00 0.03 0.00 0.00 46.19 45.42 1a40 s LEU 95 CO 0.08 -0.07 0.28 1.51 0.23 0.00 0.00 176.35 178.38 1a40 s ASP 96 N -2.07 4.60 0.16 2.29 1.47 -1.26 -2.04 116.67 119.82 1a40 s ASP 96 Ca 0.04 -1.11 -0.16 0.00 1.18 0.00 0.00 52.55 52.51 1a40 s ASP 96 Cb -0.08 -0.13 0.03 0.00 -0.34 0.00 0.00 42.92 42.39 1a40 s ASP 96 CO 0.03 -0.77 1.82 1.23 0.68 0.00 0.00 175.17 178.15 1a40 h GLY 97 N 1.11 0.59 0.96 2.12 0.00 -1.90 -1.53 103.07 104.42 1a40 h GLY 97 Ca -0.41 -0.22 -0.02 0.00 0.00 0.00 0.00 47.33 46.69 1a40 h GLY 97 CO 0.63 0.21 0.20 1.70 0.00 0.00 0.00 176.54 179.29 1a40 h LYS 98 N 0.56 0.61 -0.38 4.80 3.11 -1.95 -0.79 116.57 122.53 1a40 h LYS 98 Ca 0.16 -0.09 -0.14 0.00 -2.81 0.00 0.00 60.65 57.77 1a40 h LYS 98 Cb -0.05 -0.11 -0.01 0.00 -1.00 0.00 0.00 32.23 31.06 1a40 h LYS 98 CO -0.04 0.53 -0.31 1.15 -2.81 0.00 0.00 179.45 177.97 1a40 h THR 99 N 0.54 1.28 -0.38 1.00 2.02 -1.88 -0.19 112.91 115.29 1a40 h THR 99 Ca 0.15 -1.47 0.00 0.00 0.77 0.00 0.00 66.41 65.86 1a40 h THR 99 Cb 0.12 1.31 -0.02 0.00 -1.74 0.00 0.00 68.15 67.82 1a40 h THR 99 CO -0.02 0.49 0.24 0.25 0.37 0.00 0.00 175.52 176.85 1a40 h LEU 100 N 0.70 0.45 -0.94 2.58 5.85 -1.18 0.34 115.31 123.12 1a40 h LEU 100 Ca 0.08 -0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.76 1a40 h LEU 100 Cb 0.86 -0.11 -0.05 0.00 0.37 0.00 0.00 40.66 41.73 1a40 h LEU 100 CO 0.08 0.35 0.56 1.23 -0.34 0.00 0.00 178.44 180.32 1a40 h GLY 101 N 0.51 1.37 2.00 3.75 0.00 -0.87 -0.70 103.07 109.12 1a40 h GLY 101 Ca 0.14 -0.57 -0.06 0.00 0.00 0.00 0.00 47.33 46.83 1a40 h GLY 101 CO -0.03 0.55 -0.31 -0.55 0.00 0.00 0.00 176.54 176.21 1a40 h ASP 102 N 1.30 0.00 -0.11 0.19 3.32 -0.36 0.13 116.42 120.89 1a40 h ASP 102 Ca 0.34 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.35 1a40 h ASP 102 Cb -0.05 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.50 1a40 h ASP 102 CO -0.06 0.31 -0.08 0.40 -1.72 0.00 0.00 179.24 178.08 1a40 h ILE 103 N 0.00 1.35 0.00 0.35 2.04 -0.29 -0.90 117.51 120.06 1a40 h ILE 103 Ca -0.00 -1.20 0.00 0.00 1.00 0.00 0.00 64.86 64.66 1a40 h ILE 103 Cb 0.56 1.91 0.00 0.00 -0.74 0.00 0.00 36.82 38.55 1a40 h ILE 103 CO 0.04 0.34 0.00 1.88 0.00 0.00 0.00 178.15 180.41 1a40 h TYR 104 N -0.15 0.00 0.00 1.37 -1.99 -0.44 -1.69 116.97 114.07 1a40 h TYR 104 Ca 0.02 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.75 1a40 h TYR 104 Cb 0.58 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.31 1a40 h TYR 104 CO 0.08 0.00 -0.18 1.28 -0.00 0.00 0.00 178.16 179.34 1a40 n LEU 105 N -2.88 0.72 0.00 3.88 4.77 0.38 -4.07 117.00 119.80 1a40 n LEU 105 Ca 0.01 0.46 0.00 0.00 -0.03 0.00 0.00 56.01 56.45 1a40 n LEU 105 Cb 0.30 -0.29 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1a40 n LEU 105 CO 0.26 -0.13 0.00 0.61 -1.33 0.00 0.00 177.39 176.80 1a40 n GLY 106 N 1.34 0.71 0.10 -0.72 0.00 -0.64 -4.74 105.19 101.24 1a40 n GLY 106 Ca 0.05 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.98 1a40 n GLY 106 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1a40 h LYS 107 N 2.36 0.13 -4.83 1.61 1.57 -1.38 -3.42 116.57 112.60 1a40 h LYS 107 Ca 0.00 -0.17 -0.67 0.00 -1.87 0.00 0.00 60.65 57.94 1a40 h LYS 107 Cb 0.00 0.06 -0.24 0.00 0.08 0.00 0.00 32.23 32.13 1a40 h LYS 107 CO 0.00 0.99 -0.60 0.42 -0.57 0.00 0.00 179.45 179.69 1a40 s ILE 108 N -2.98 4.26 -0.05 1.86 1.01 -1.13 -4.99 121.20 119.18 1a40 s ILE 108 Ca -0.02 -0.48 0.17 0.00 0.00 0.00 0.00 60.65 60.33 1a40 s ILE 108 Cb 0.10 -3.14 -0.27 0.00 0.01 0.00 0.00 42.46 39.16 1a40 s ILE 108 CO 0.83 0.14 0.34 0.29 0.00 0.00 0.00 174.94 176.53 1a40 n LYS 109 N 4.92 0.67 -4.40 2.79 4.76 -1.26 -4.70 118.16 120.94 1a40 n LYS 109 Ca -0.15 -0.14 -0.25 0.00 -2.87 0.00 0.00 58.31 54.90 1a40 n LYS 109 Cb 0.49 -1.43 -0.13 0.00 -1.84 0.00 0.00 35.03 32.13 1a40 n LYS 109 CO 0.00 0.00 0.00 -1.59 -1.37 0.00 0.00 177.40 174.44 1a40 s LYS 110 N -3.10 1.24 0.52 1.97 0.00 -1.26 -0.99 119.74 118.12 1a40 s LYS 110 Ca -0.07 -1.15 0.27 0.00 0.00 0.00 0.00 55.97 55.03 1a40 s LYS 110 Cb 0.10 -1.51 1.41 0.00 0.00 0.00 0.00 37.83 37.83 1a40 s LYS 110 CO 0.73 0.36 2.05 -1.49 0.00 0.00 0.00 175.35 177.01 1a40 h TRP 111 N 4.23 0.00 -0.50 1.78 4.06 -1.25 -2.56 115.95 121.71 1a40 h TRP 111 Ca -0.46 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.49 1a40 h TRP 111 Cb 1.17 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.33 1a40 h TRP 111 CO 0.59 0.12 0.00 -0.40 -3.56 0.00 0.00 178.44 175.19 1a40 n ASP 112 N -3.60 5.09 -4.75 -3.49 5.75 -1.00 -4.69 116.55 109.86 1a40 n ASP 112 Ca -0.02 -2.80 -0.42 0.00 -0.01 0.00 0.00 54.79 51.55 1a40 n ASP 112 Cb 0.25 -0.66 -0.01 0.00 -1.03 0.00 0.00 41.12 39.68 1a40 n ASP 112 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 1a40 n ASP 113 N 0.54 3.65 -0.33 -1.12 -0.08 -0.97 -4.67 116.55 113.58 1a40 n ASP 113 Ca 0.24 1.20 0.23 0.00 -1.51 0.00 0.00 54.79 54.94 1a40 n ASP 113 Cb 1.07 -1.59 0.44 0.00 2.34 0.00 0.00 41.12 43.38 1a40 n ASP 113 CO 0.00 0.00 0.00 1.05 0.12 0.00 0.00 177.20 178.37 1a40 h GLU 114 N 3.52 0.07 -0.74 -0.67 9.09 -1.92 0.38 114.58 124.30 1a40 h GLU 114 Ca -0.49 -0.00 -0.04 0.00 0.05 0.00 0.00 59.36 58.87 1a40 h GLU 114 Cb 1.24 -0.02 -0.03 0.00 -1.65 0.00 0.00 28.75 28.29 1a40 h GLU 114 CO 0.69 0.05 0.29 0.00 0.05 0.00 0.00 179.01 180.09 1a40 h ALA 115 N 1.95 1.11 -0.07 1.06 0.00 -1.98 -1.79 119.26 119.55 1a40 h ALA 115 Ca 0.71 -0.19 -0.15 0.00 0.00 0.00 0.00 54.91 55.28 1a40 h ALA 115 Cb 1.69 -0.29 0.01 0.00 0.00 0.00 0.00 17.79 19.20 1a40 h ALA 115 CO -0.78 0.63 -0.54 0.82 0.00 0.00 0.00 179.25 179.38 1a40 h ILE 116 N 1.08 1.38 -0.95 0.00 2.04 -0.62 -3.27 117.51 117.17 1a40 h ILE 116 Ca 0.25 -1.91 0.10 0.00 1.00 0.00 0.00 64.86 64.30 1a40 h ILE 116 Cb 0.21 2.32 -0.07 0.00 -0.74 0.00 0.00 36.82 38.54 1a40 h ILE 116 CO -0.02 0.57 0.61 0.00 0.00 0.00 0.00 178.15 179.31 1a40 h ALA 117 N 0.43 1.55 -0.08 1.87 0.00 -1.09 -2.21 119.26 119.73 1a40 h ALA 117 Ca -0.05 -0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.79 1a40 h ALA 117 Cb 1.21 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 1a40 h ALA 117 CO 0.11 0.26 -0.27 0.87 0.00 0.00 0.00 179.25 180.22 1a40 h LYS 118 N 0.99 0.14 0.00 0.00 1.57 -1.38 -1.97 116.57 115.91 1a40 h LYS 118 Ca 0.44 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 59.18 1a40 h LYS 118 Cb 0.37 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.67 1a40 h LYS 118 CO -0.20 0.41 -0.00 1.28 -0.57 0.00 0.00 179.45 180.37 1a40 n LEU 119 N -4.17 0.72 -3.14 2.94 4.77 -0.86 -4.18 117.00 113.07 1a40 n LEU 119 Ca -0.01 0.57 -0.23 0.00 -0.03 0.00 0.00 56.01 56.30 1a40 n LEU 119 Cb 0.35 -0.34 -0.05 0.00 -2.33 0.00 0.00 43.42 41.06 1a40 n LEU 119 CO 0.39 -0.16 -0.08 0.59 -1.33 0.00 0.00 177.39 176.79 1a40 n ASN 120 N -2.17 2.23 -4.75 -1.43 3.02 -0.76 -4.75 115.26 106.65 1a40 n ASN 120 Ca 0.06 -3.22 -0.41 0.00 -0.03 0.00 0.00 54.58 50.97 1a40 n ASN 120 Cb 0.42 -0.61 -0.02 0.00 -0.61 0.00 0.00 39.78 38.96 1a40 n ASN 120 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1a40 s PRO 121 N -2.56 4.14 0.00 3.52 0.04 -1.13 -1.58 135.00 137.43 1a40 s PRO 121 Ca 0.42 2.55 0.00 0.00 0.04 0.00 0.00 61.00 64.01 1a40 s PRO 121 Cb 0.27 -3.03 0.00 0.00 0.04 0.00 0.00 34.50 31.78 1a40 s PRO 121 CO -0.09 -0.60 0.00 0.41 0.04 0.00 0.00 177.00 176.75 1a40 n GLY 122 N 2.07 1.97 3.66 0.56 0.00 -1.26 -5.00 105.19 107.19 1a40 n GLY 122 Ca 0.08 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.70 1a40 n GLY 122 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1a40 s LEU 123 N 0.00 4.14 -0.23 0.99 2.96 -0.61 -5.02 118.68 120.90 1a40 s LEU 123 Ca 0.00 0.72 -0.29 0.00 -0.22 0.00 0.00 54.13 54.34 1a40 s LEU 123 Cb 0.00 -2.77 -0.00 0.00 0.50 0.00 0.00 46.19 43.92 1a40 s LEU 123 CO 0.00 -0.22 1.25 -0.75 -1.32 0.00 0.00 176.35 175.31 1a40 s LYS 124 N 1.77 4.10 -0.07 1.98 2.36 -1.26 -5.02 119.74 123.60 1a40 s LYS 124 Ca 0.26 1.44 0.02 0.00 -2.55 0.00 0.00 55.97 55.13 1a40 s LYS 124 Cb -0.16 -3.80 -0.03 0.00 -1.05 0.00 0.00 37.83 32.80 1a40 s LYS 124 CO 0.10 -0.88 -0.10 -0.51 1.55 0.00 0.00 175.35 175.51 1a40 s LEU 125 N 3.84 2.98 0.51 5.43 1.43 -1.26 -4.89 118.68 126.72 1a40 s LEU 125 Ca 0.54 -0.11 -0.12 0.00 -1.03 0.00 0.00 54.13 53.40 1a40 s LEU 125 Cb -0.19 -1.64 -0.06 0.00 0.03 0.00 0.00 46.19 44.34 1a40 s LEU 125 CO 0.17 0.33 0.92 -2.16 0.23 0.00 0.00 176.35 175.85 1a40 s PRO 126 N -0.65 3.78 -0.32 1.29 0.04 -1.26 -4.70 135.00 133.17 1a40 s PRO 126 Ca 0.10 0.70 -0.04 0.00 0.04 0.00 0.00 61.00 61.80 1a40 s PRO 126 Cb -0.11 -2.21 0.01 0.00 0.04 0.00 0.00 34.50 32.22 1a40 s PRO 126 CO 0.01 -0.27 2.83 -1.13 0.04 0.00 0.00 177.00 178.48 1a40 n SER 127 N -1.86 6.17 -4.79 6.66 3.41 -1.26 -2.37 113.62 119.57 1a40 n SER 127 Ca 0.05 -3.00 -0.39 0.00 -0.26 0.00 0.00 58.87 55.27 1a40 n SER 127 Cb 0.54 -1.24 -0.06 0.00 -0.26 0.00 0.00 64.21 63.19 1a40 n SER 127 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 175.04 173.30 1a40 s GLN 128 N -1.08 4.25 0.43 4.33 2.00 -1.26 -4.88 119.66 123.44 1a40 s GLN 128 Ca 0.55 0.73 -0.25 0.00 -2.00 0.00 0.00 55.36 54.39 1a40 s GLN 128 Cb 0.34 -3.28 -0.08 0.00 0.80 0.00 0.00 33.01 30.79 1a40 s GLN 128 CO -0.14 0.53 1.28 -0.80 -0.50 0.00 0.00 175.29 175.66 1a40 s ASN 129 N -0.72 6.18 -0.12 6.67 0.01 -1.26 -1.09 114.94 124.59 1a40 s ASN 129 Ca 0.30 2.59 -0.23 0.00 -0.71 0.00 0.00 52.86 54.80 1a40 s ASN 129 Cb -0.19 -2.63 -0.03 0.00 0.41 0.00 0.00 41.25 38.81 1a40 s ASN 129 CO 0.18 -0.93 0.72 -0.63 -1.51 0.00 0.00 177.10 174.93 1a40 s ILE 130 N -1.32 5.00 -0.56 0.60 1.01 -0.16 -4.47 121.20 121.30 1a40 s ILE 130 Ca 0.60 1.44 -0.07 0.00 0.00 0.00 0.00 60.65 62.61 1a40 s ILE 130 Cb -0.36 -4.05 0.14 0.00 0.01 0.00 0.00 42.46 38.21 1a40 s ILE 130 CO 0.46 0.16 0.41 0.00 0.00 0.00 0.00 174.94 175.97 1a40 s ALA 131 N 1.41 3.52 0.14 9.38 0.00 -0.19 -4.95 121.76 131.07 1a40 s ALA 131 Ca 0.36 -2.85 -0.30 0.00 0.00 0.00 0.00 51.96 49.16 1a40 s ALA 131 Cb -0.17 -2.83 -0.07 0.00 0.00 0.00 0.00 23.12 20.05 1a40 s ALA 131 CO 0.15 -2.00 1.27 0.08 0.00 0.00 0.00 175.76 175.26 1a40 s VAL 132 N 0.77 3.55 -0.04 0.00 1.01 -1.26 -1.72 120.40 122.71 1a40 s VAL 132 Ca 0.11 1.19 0.06 0.00 0.00 0.00 0.00 61.98 63.34 1a40 s VAL 132 Cb -0.22 -3.76 -0.01 0.00 0.00 0.00 0.00 36.38 32.39 1a40 s VAL 132 CO -0.03 0.14 -0.22 -0.69 0.00 0.00 0.00 175.10 174.30 1a40 s VAL 133 N 0.59 1.76 0.25 2.92 1.01 0.11 -0.54 120.40 126.50 1a40 s VAL 133 Ca 0.58 -0.91 -0.01 0.00 0.00 0.00 0.00 61.98 61.64 1a40 s VAL 133 Cb -0.34 -1.49 -0.03 0.00 0.00 0.00 0.00 36.38 34.53 1a40 s VAL 133 CO 0.33 0.50 0.24 0.00 0.00 0.00 0.00 175.10 176.17 1a40 s ARG 134 N -0.19 1.45 0.19 2.72 1.04 -0.13 -4.10 118.95 119.94 1a40 s ARG 134 Ca -0.00 -1.69 -0.30 0.00 -1.04 0.00 0.00 55.73 52.70 1a40 s ARG 134 Cb -0.12 0.33 -0.08 0.00 -2.04 0.00 0.00 34.95 33.04 1a40 s ARG 134 CO 0.02 -0.52 1.04 1.03 -0.04 0.00 0.00 175.30 176.83 1a40 s ARG 135 N -3.86 4.67 -0.05 3.89 1.81 -1.26 -0.63 118.95 123.52 1a40 s ARG 135 Ca 0.37 1.64 -0.16 0.00 -1.72 0.00 0.00 55.73 55.85 1a40 s ARG 135 Cb 0.04 -3.28 -0.31 0.00 -0.45 0.00 0.00 34.95 30.95 1a40 s ARG 135 CO 0.16 0.20 0.73 0.00 -0.68 0.00 0.00 175.30 175.72 1a40 h ALA 136 N 4.83 0.05 -2.30 2.13 0.00 -1.03 -3.44 119.26 119.50 1a40 h ALA 136 Ca -0.45 -0.97 -0.49 0.00 0.00 0.00 0.00 54.91 53.00 1a40 h ALA 136 Cb 1.21 0.34 0.04 0.00 0.00 0.00 0.00 17.79 19.37 1a40 h ALA 136 CO 0.71 0.75 0.13 0.16 0.00 0.00 0.00 179.25 180.99 1a40 s ASP 137 N -7.18 6.26 0.00 0.00 -4.77 -1.26 -5.01 116.67 104.72 1a40 s ASP 137 Ca -0.16 0.96 -0.30 0.00 -3.30 0.00 0.00 52.55 49.75 1a40 s ASP 137 Cb 0.04 -2.26 -0.07 0.00 -1.09 0.00 0.00 42.92 39.53 1a40 s ASP 137 CO 0.83 -0.60 1.81 -0.83 0.70 0.00 0.00 175.17 177.08 1a40 s GLY 138 N -4.10 1.49 -0.02 2.12 0.00 -1.26 -4.88 107.32 100.67 1a40 s GLY 138 Ca 0.48 1.16 0.02 0.00 0.00 0.00 0.00 44.72 46.37 1a40 s GLY 138 CO 0.45 3.23 -0.06 -0.45 0.00 0.00 0.00 173.10 176.28 1a40 s SER 139 N 3.76 0.84 0.29 1.64 0.15 -0.55 -2.96 113.70 116.87 1a40 s SER 139 Ca 0.81 -0.12 0.08 0.00 0.70 0.00 0.00 55.95 57.41 1a40 s SER 139 Cb -0.39 -0.22 0.45 0.00 -1.71 0.00 0.00 66.02 64.16 1a40 s SER 139 CO 0.36 0.03 1.68 1.23 1.20 0.00 0.00 173.24 177.74 1a40 h GLY 140 N 6.41 0.16 1.31 9.45 0.00 -1.93 -2.08 103.07 116.39 1a40 h GLY 140 Ca -0.33 -0.17 -0.12 0.00 0.00 0.00 0.00 47.33 46.72 1a40 h GLY 140 CO 0.49 0.15 -0.22 -0.84 0.00 0.00 0.00 176.54 176.12 1a40 h THR 141 N 0.12 1.27 -0.65 4.70 2.02 -1.95 -1.69 112.91 116.74 1a40 h THR 141 Ca 0.01 -1.34 -0.05 0.00 0.77 0.00 0.00 66.41 65.79 1a40 h THR 141 Cb 0.89 1.19 -0.03 0.00 -1.74 0.00 0.00 68.15 68.47 1a40 h THR 141 CO 0.07 0.45 0.19 0.28 0.37 0.00 0.00 175.52 176.87 1a40 h SER 142 N 0.70 0.93 0.30 4.18 0.02 -1.79 -0.01 113.55 117.87 1a40 h SER 142 Ca 0.10 -0.17 -0.01 0.00 -0.84 0.00 0.00 61.79 60.86 1a40 h SER 142 Cb 0.74 -0.24 0.00 0.00 0.14 0.00 0.00 62.40 63.03 1a40 h SER 142 CO 0.06 0.88 -0.15 0.15 -1.14 0.00 0.00 176.83 176.63 1a40 h PHE 143 N 0.96 -0.40 -0.09 3.45 3.57 -0.95 0.85 116.94 124.32 1a40 h PHE 143 Ca 0.21 -0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.71 1a40 h PHE 143 Cb 0.30 0.14 -0.01 0.00 2.79 0.00 0.00 35.95 39.16 1a40 h PHE 143 CO 0.02 -0.25 0.03 0.28 -2.23 0.00 0.00 178.31 176.17 1a40 h VAL 144 N -0.42 0.98 -0.24 1.41 2.07 -1.14 -0.16 116.25 118.75 1a40 h VAL 144 Ca -0.04 -0.03 0.01 0.00 0.82 0.00 0.00 66.70 67.46 1a40 h VAL 144 Cb 0.33 0.89 -0.01 0.00 -1.52 0.00 0.00 31.29 30.98 1a40 h VAL 144 CO 0.06 0.01 0.15 0.15 0.02 0.00 0.00 177.57 177.96 1a40 h PHE 145 N 0.08 0.29 -0.01 1.57 3.57 -0.87 -0.95 116.94 120.62 1a40 h PHE 145 Ca 0.04 0.01 -0.13 0.00 3.53 0.00 0.00 57.97 61.42 1a40 h PHE 145 Cb 0.02 -0.09 -0.02 0.00 2.79 0.00 0.00 35.95 38.65 1a40 h PHE 145 CO -0.10 0.18 -0.59 1.79 -2.23 0.00 0.00 178.31 177.36 1a40 h THR 146 N 0.31 1.41 -0.66 4.41 1.35 -0.79 -0.67 112.91 118.28 1a40 h THR 146 Ca 0.09 -2.00 -0.03 0.00 -0.55 0.00 0.00 66.41 63.92 1a40 h THR 146 Cb -0.02 2.07 -0.03 0.00 -1.73 0.00 0.00 68.15 68.43 1a40 h THR 146 CO -0.03 0.57 0.29 0.28 -0.25 0.00 0.00 175.52 176.38 1a40 h SER 147 N 0.03 0.88 0.08 5.36 0.02 -0.64 -1.39 113.55 117.88 1a40 h SER 147 Ca -0.01 -0.15 -0.00 0.00 -0.84 0.00 0.00 61.79 60.79 1a40 h SER 147 Cb 1.05 -0.23 0.00 0.00 0.14 0.00 0.00 62.40 63.36 1a40 h SER 147 CO 0.08 0.79 -0.04 0.22 -1.14 0.00 0.00 176.83 176.74 1a40 h TYR 148 N 0.91 -0.10 -0.93 3.45 3.20 -0.80 -3.13 116.97 119.58 1a40 h TYR 148 Ca 0.22 -0.00 0.10 0.00 3.14 0.00 0.00 58.73 62.19 1a40 h TYR 148 Cb 0.16 0.03 -0.07 0.00 1.54 0.00 0.00 36.73 38.39 1a40 h TYR 148 CO 0.01 0.16 0.60 -0.07 -1.64 0.00 0.00 178.16 177.22 1a40 h LEU 149 N -0.35 0.85 -1.75 2.82 3.38 -0.99 -0.69 115.31 118.57 1a40 h LEU 149 Ca -0.01 0.03 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 1a40 h LEU 149 Cb 0.30 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 40.90 1a40 h LEU 149 CO 0.02 0.49 -0.16 0.00 0.09 0.00 0.00 178.44 178.87 1a40 h ALA 150 N 1.54 1.50 0.01 1.53 0.00 -1.25 0.24 119.26 122.83 1a40 h ALA 150 Ca 0.43 -0.15 -0.19 0.00 0.00 0.00 0.00 54.91 55.00 1a40 h ALA 150 Cb 0.42 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 1a40 h ALA 150 CO -0.20 0.21 -0.89 0.87 0.00 0.00 0.00 179.25 179.24 1a40 h LYS 151 N 0.00 0.06 -0.01 0.00 1.57 -1.07 -3.37 116.57 113.75 1a40 h LYS 151 Ca -0.00 -0.08 0.00 0.00 -1.87 0.00 0.00 60.65 58.70 1a40 h LYS 151 Cb 0.34 0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.67 1a40 h LYS 151 CO 0.02 0.91 -0.36 1.33 -0.57 0.00 0.00 179.45 180.79 1a40 n VAL 152 N -3.54 0.00 -3.57 0.50 0.24 -1.00 -4.90 118.33 106.06 1a40 n VAL 152 Ca -0.02 -0.32 -0.25 0.00 -2.04 0.00 0.00 64.34 61.71 1a40 n VAL 152 Cb 0.83 1.10 -0.16 0.00 -1.47 0.00 0.00 33.84 34.15 1a40 n VAL 152 CO 0.00 0.00 0.00 0.21 -2.14 0.00 0.00 176.83 174.90 1a40 s ASN 153 N -1.75 2.34 0.25 -1.34 3.84 0.04 -3.50 114.94 114.82 1a40 s ASN 153 Ca 0.08 -0.66 -0.06 0.00 0.21 0.00 0.00 52.86 52.43 1a40 s ASN 153 Cb 0.10 -0.11 0.26 0.00 -0.55 0.00 0.00 41.25 40.95 1a40 s ASN 153 CO 0.37 -0.36 1.88 -0.33 -2.79 0.00 0.00 177.10 175.86 1a40 h GLU 154 N 8.39 1.22 -0.61 0.43 5.08 -1.83 -1.32 114.58 125.94 1a40 h GLU 154 Ca -0.16 -0.13 -0.01 0.00 -1.00 0.00 0.00 59.36 58.05 1a40 h GLU 154 Cb 1.12 -0.24 -0.03 0.00 0.50 0.00 0.00 28.75 30.10 1a40 h GLU 154 CO 0.32 0.88 0.33 1.49 -1.00 0.00 0.00 179.01 181.03 1a40 h GLU 155 N 1.23 0.86 0.26 2.33 4.81 -1.95 0.16 114.58 122.28 1a40 h GLU 155 Ca 0.31 -0.10 -0.01 0.00 -0.13 0.00 0.00 59.36 59.42 1a40 h GLU 155 Cb 0.01 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 29.22 1a40 h GLU 155 CO -0.05 0.66 -0.13 2.35 -0.73 0.00 0.00 179.01 181.11 1a40 h TRP 156 N 0.83 -0.33 -0.47 0.92 2.91 -1.80 -1.14 115.95 116.87 1a40 h TRP 156 Ca 0.21 -0.01 0.09 0.00 1.13 0.00 0.00 58.89 60.32 1a40 h TRP 156 Cb 0.06 0.11 -0.08 0.00 -0.51 0.00 0.00 29.16 28.73 1a40 h TRP 156 CO -0.01 -0.16 -0.06 -0.22 -1.03 0.00 0.00 178.44 176.96 1a40 h LYS 157 N -0.41 0.05 0.00 2.65 3.64 -0.90 0.62 116.57 122.22 1a40 h LYS 157 Ca -0.04 -0.00 -0.14 0.00 -1.27 0.00 0.00 60.65 59.20 1a40 h LYS 157 Cb 0.31 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.10 1a40 h LYS 157 CO 0.06 0.03 -0.68 -0.91 -2.27 0.00 0.00 179.45 175.68 1a40 h ASN 158 N 0.05 0.00 0.00 4.20 2.35 -0.58 -3.11 115.58 118.50 1a40 h ASN 158 Ca 0.23 0.00 -0.30 0.00 -0.55 0.00 0.00 56.30 55.68 1a40 h ASN 158 Cb 0.35 0.00 -0.06 0.00 0.05 0.00 0.00 38.32 38.67 1a40 h ASN 158 CO -0.44 0.68 -2.12 0.59 -1.65 0.00 0.00 177.43 174.49 1a40 n ASN 159 N -3.57 1.34 -0.08 5.81 3.02 -0.44 -4.78 115.26 116.56 1a40 n ASN 159 Ca -0.00 -0.03 -0.17 0.00 -0.03 0.00 0.00 54.58 54.35 1a40 n ASN 159 Cb 0.71 0.61 -0.06 0.00 -0.61 0.00 0.00 39.78 40.42 1a40 n ASN 159 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 1a40 n VAL 160 N -2.72 0.91 -3.89 2.41 0.31 0.00 -5.01 118.33 110.35 1a40 n VAL 160 Ca -0.29 -0.25 0.00 0.00 -0.01 0.00 0.00 64.34 63.79 1a40 n VAL 160 Cb 0.99 -1.60 0.00 0.00 -0.91 0.00 0.00 33.84 32.32 1a40 n VAL 160 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1a40 n GLY 161 N 2.10 -0.65 3.25 2.92 0.00 -0.02 -4.69 105.19 108.11 1a40 n GLY 161 Ca -0.32 -1.18 -0.25 0.00 0.00 0.00 0.00 46.02 44.27 1a40 n GLY 161 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1a40 s THR 162 N 0.00 1.63 0.00 2.61 2.01 -1.26 -4.76 115.64 115.87 1a40 s THR 162 Ca 0.00 -1.27 0.00 0.00 0.31 0.00 0.00 61.69 60.73 1a40 s THR 162 Cb 0.00 -1.44 0.00 0.00 0.01 0.00 0.00 72.50 71.07 1a40 s THR 162 CO 0.00 0.12 0.00 0.61 -0.69 0.00 0.00 174.62 174.66 1a40 n GLY 163 N 1.66 1.43 0.21 4.40 0.00 -1.26 -4.94 105.19 106.68 1a40 n GLY 163 Ca -0.18 -0.95 0.09 0.00 0.00 0.00 0.00 46.02 44.98 1a40 n GLY 163 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1a40 h SER 164 N 0.00 0.00 -3.72 1.61 0.02 -1.87 -2.86 113.55 106.73 1a40 h SER 164 Ca 0.00 0.00 -0.30 0.00 -0.84 0.00 0.00 61.79 60.65 1a40 h SER 164 Cb 0.00 0.00 -0.30 0.00 0.14 0.00 0.00 62.40 62.24 1a40 h SER 164 CO 0.00 0.26 -0.74 -0.89 -1.14 0.00 0.00 176.83 174.31 1a40 s THR 165 N -3.44 0.21 0.14 -2.27 2.01 -1.26 -1.49 115.64 109.53 1a40 s THR 165 Ca 0.02 -0.05 -0.06 0.00 0.31 0.00 0.00 61.69 61.90 1a40 s THR 165 Cb 0.09 -0.22 -0.02 0.00 0.01 0.00 0.00 72.50 72.36 1a40 s THR 165 CO 0.66 0.09 0.19 0.54 -0.69 0.00 0.00 174.62 175.42 1a40 s VAL 166 N 0.29 0.10 -0.97 3.82 0.11 -1.26 -5.01 120.40 117.47 1a40 s VAL 166 Ca -0.03 -1.50 -0.19 0.00 -2.93 0.00 0.00 61.98 57.34 1a40 s VAL 166 Cb -0.05 -1.78 0.13 0.00 -1.53 0.00 0.00 36.38 33.14 1a40 s VAL 166 CO -0.01 -0.44 1.19 -0.75 -3.33 0.00 0.00 175.10 171.77 1a40 s LYS 167 N -3.97 3.65 0.12 1.54 2.20 -1.26 -5.00 119.74 117.03 1a40 s LYS 167 Ca 0.16 -1.79 -0.31 0.00 -0.36 0.00 0.00 55.97 53.67 1a40 s LYS 167 Cb 0.05 -4.98 -0.10 0.00 -1.51 0.00 0.00 37.83 31.29 1a40 s LYS 167 CO -0.02 -1.82 1.83 -1.58 -0.36 0.00 0.00 175.35 173.40 1a40 s TRP 168 N 2.79 2.14 0.27 4.03 0.52 -1.26 -4.88 118.94 122.54 1a40 s TRP 168 Ca 0.35 -0.02 -0.03 0.00 0.02 0.00 0.00 56.10 56.42 1a40 s TRP 168 Cb -0.04 -4.18 0.40 0.00 -1.15 0.00 0.00 33.47 28.50 1a40 s TRP 168 CO -0.08 -4.86 1.90 -1.35 0.02 0.00 0.00 176.95 172.58 1a40 h PRO 169 N 8.63 1.16 -3.57 4.98 0.11 -1.90 -3.45 132.00 137.95 1a40 h PRO 169 Ca -0.46 -0.07 -0.07 0.00 0.11 0.00 0.00 66.00 65.51 1a40 h PRO 169 Cb 1.22 -0.26 -0.07 0.00 0.11 0.00 0.00 31.00 31.99 1a40 h PRO 169 CO 0.95 0.77 -0.04 0.96 -0.21 0.00 0.00 178.00 180.43 1a40 s ILE 170 N -6.04 0.00 0.00 4.15 -4.36 -1.26 -4.97 121.20 108.73 1a40 s ILE 170 Ca -0.12 -1.34 0.00 0.00 -0.26 0.00 0.00 60.65 58.92 1a40 s ILE 170 Cb 0.20 -2.32 0.00 0.00 1.25 0.00 0.00 42.46 41.59 1a40 s ILE 170 CO 0.81 0.00 0.00 0.61 0.24 0.00 0.00 174.94 176.60 1a40 n GLY 171 N -0.44 3.16 3.78 6.27 0.00 -1.26 -4.88 105.19 111.83 1a40 n GLY 171 Ca -0.02 -1.55 -0.37 0.00 0.00 0.00 0.00 46.02 44.08 1a40 n GLY 171 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1a40 s LEU 172 N 0.00 4.36 -0.30 0.99 1.02 0.30 -4.75 118.68 120.30 1a40 s LEU 172 Ca 0.00 1.77 -0.19 0.00 0.02 0.00 0.00 54.13 55.73 1a40 s LEU 172 Cb 0.00 -3.91 -0.02 0.00 0.02 0.00 0.00 46.19 42.29 1a40 s LEU 172 CO 0.00 -0.03 0.55 -0.83 0.02 0.00 0.00 176.35 176.06 1a40 s GLY 173 N -1.59 1.81 -0.08 -3.19 0.00 -1.26 -0.96 107.32 102.06 1a40 s GLY 173 Ca 0.48 -0.71 -0.05 0.00 0.00 0.00 0.00 44.72 44.44 1a40 s GLY 173 CO 0.24 1.32 0.15 -0.32 0.00 0.00 0.00 173.10 174.49 1a40 s GLY 174 N 1.63 2.15 -0.38 0.20 0.00 0.20 -4.64 107.32 106.48 1a40 s GLY 174 Ca 0.22 -0.70 -0.20 0.00 0.00 0.00 0.00 44.72 44.04 1a40 s GLY 174 CO 0.11 -0.50 0.64 1.25 0.00 0.00 0.00 173.10 174.60 1a40 s LYS 175 N -1.37 3.55 0.05 2.90 2.20 -1.26 -0.47 119.74 125.33 1a40 s LYS 175 Ca 0.20 -0.09 0.00 0.00 -0.36 0.00 0.00 55.97 55.72 1a40 s LYS 175 Cb -0.12 -3.86 0.00 0.00 -1.51 0.00 0.00 37.83 32.34 1a40 s LYS 175 CO 0.10 -0.83 0.00 0.41 -0.36 0.00 0.00 175.35 174.67 1a40 n GLY 176 N 4.80 -2.06 0.32 5.54 0.00 -1.26 -2.01 105.19 110.53 1a40 n GLY 176 Ca -0.01 -1.46 -0.02 0.00 0.00 0.00 0.00 46.02 44.53 1a40 n GLY 176 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1a40 h ASN 177 N -0.14 0.82 0.38 1.61 2.35 -1.91 -2.15 115.58 116.54 1a40 h ASN 177 Ca -0.01 -0.09 -0.10 0.00 -0.55 0.00 0.00 56.30 55.55 1a40 h ASN 177 Cb 0.13 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.28 1a40 h ASN 177 CO 0.01 0.71 -0.43 -2.24 -1.65 0.00 0.00 177.43 173.82 1a40 h ASP 178 N 0.90 0.08 -0.56 5.81 2.03 -1.95 -1.66 116.42 121.07 1a40 h ASP 178 Ca 0.22 -0.03 -0.06 0.00 -0.73 0.00 0.00 57.03 56.43 1a40 h ASP 178 Cb 0.12 -0.02 -0.02 0.00 -0.83 0.00 0.00 39.33 38.58 1a40 h ASP 178 CO -0.03 0.50 0.13 1.23 -1.03 0.00 0.00 179.24 180.04 1a40 h GLY 179 N 1.30 0.98 1.03 7.15 0.00 -0.77 0.64 103.07 113.41 1a40 h GLY 179 Ca 0.00 -0.62 -0.11 0.00 0.00 0.00 0.00 47.33 46.60 1a40 h GLY 179 CO 0.06 0.58 -0.17 -2.22 0.00 0.00 0.00 176.54 174.79 1a40 h ILE 180 N 0.81 1.28 -0.64 2.60 2.04 -1.29 -2.05 117.51 120.26 1a40 h ILE 180 Ca 0.18 -1.30 0.05 0.00 1.00 0.00 0.00 64.86 64.78 1a40 h ILE 180 Cb 0.36 1.22 -0.05 0.00 -0.74 0.00 0.00 36.82 37.61 1a40 h ILE 180 CO 0.00 0.44 0.36 0.00 0.00 0.00 0.00 178.15 178.95 1a40 h ALA 181 N 0.84 0.84 -0.75 1.87 0.00 -0.89 -0.80 119.26 120.37 1a40 h ALA 181 Ca 0.10 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 1a40 h ALA 181 Cb 0.72 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.35 1a40 h ALA 181 CO 0.05 0.05 0.39 0.00 0.00 0.00 0.00 179.25 179.74 1a40 h ALA 182 N 1.32 0.96 -0.16 0.00 0.00 -0.75 -1.71 119.26 118.92 1a40 h ALA 182 Ca 0.28 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 1a40 h ALA 182 Cb 0.14 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1a40 h ALA 182 CO -0.16 0.50 0.05 0.74 0.00 0.00 0.00 179.25 180.37 1a40 h PHE 183 N 1.04 0.26 -0.86 0.00 -1.00 -0.76 -2.12 116.94 113.51 1a40 h PHE 183 Ca 0.26 -0.03 0.04 0.00 2.81 0.00 0.00 57.97 61.05 1a40 h PHE 183 Cb 0.08 -0.08 -0.05 0.00 3.61 0.00 0.00 35.95 39.51 1a40 h PHE 183 CO 0.00 0.37 0.56 0.28 -1.61 0.00 0.00 178.31 177.92 1a40 h VAL 184 N 0.07 1.12 -0.57 -0.55 2.07 -0.98 -1.00 116.25 116.42 1a40 h VAL 184 Ca 0.05 -0.36 -0.08 0.00 0.82 0.00 0.00 66.70 67.13 1a40 h VAL 184 Cb 0.24 -0.01 -0.02 0.00 -1.52 0.00 0.00 31.29 29.98 1a40 h VAL 184 CO -0.00 0.19 0.05 -0.61 0.02 0.00 0.00 177.57 177.21 1a40 h GLN 185 N 1.04 0.97 -0.01 1.57 4.15 -0.97 -3.16 115.11 118.71 1a40 h GLN 185 Ca 0.35 -0.29 0.00 0.00 0.77 0.00 0.00 58.65 59.48 1a40 h GLN 185 Cb 0.07 -0.10 0.00 0.00 0.21 0.00 0.00 27.48 27.66 1a40 h GLN 185 CO -0.11 0.95 -0.26 2.89 -1.93 0.00 0.00 178.83 180.38 1a40 n ARG 186 N -4.28 0.89 -3.83 1.69 1.85 -0.83 -4.78 116.66 107.37 1a40 n ARG 186 Ca 0.02 -0.53 -0.35 0.00 -1.00 0.00 0.00 57.85 55.99 1a40 n ARG 186 Cb 0.31 -1.49 -0.12 0.00 -1.05 0.00 0.00 32.46 30.10 1a40 n ARG 186 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 1a40 s LEU 187 N -2.48 5.05 0.21 2.89 1.02 -0.43 -5.08 118.68 119.85 1a40 s LEU 187 Ca 0.25 -1.99 -0.32 0.00 0.02 0.00 0.00 54.13 52.08 1a40 s LEU 187 Cb 0.19 -1.78 -0.13 0.00 0.02 0.00 0.00 46.19 44.49 1a40 s LEU 187 CO 0.51 -0.49 1.61 -2.65 0.02 0.00 0.00 176.35 175.36 1a40 n PRO 188 N 4.53 2.46 -0.60 1.29 -0.02 -1.26 -1.28 135.00 140.11 1a40 n PRO 188 Ca -0.02 0.88 0.00 0.00 -2.02 0.00 0.00 63.50 62.34 1a40 n PRO 188 Cb 0.42 -2.67 0.00 0.00 -0.02 0.00 0.00 33.50 31.23 1a40 n PRO 188 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1a40 n GLY 189 N 3.26 0.79 3.79 -1.23 0.00 0.47 -4.76 105.19 107.51 1a40 n GLY 189 Ca 0.15 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.84 1a40 n GLY 189 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a40 s ALA 190 N -3.07 2.67 -0.03 4.61 0.00 -0.40 -1.02 121.76 124.52 1a40 s ALA 190 Ca 0.00 0.48 0.01 0.00 0.00 0.00 0.00 51.96 52.45 1a40 s ALA 190 Cb 0.00 -3.27 0.02 0.00 0.00 0.00 0.00 23.12 19.88 1a40 s ALA 190 CO 0.00 -0.90 -0.01 -1.50 0.00 0.00 0.00 175.76 173.35 1a40 s ILE 191 N -2.34 0.25 -0.13 0.00 2.07 -0.70 -1.47 121.20 118.88 1a40 s ILE 191 Ca 0.65 0.02 -0.15 0.00 -1.41 0.00 0.00 60.65 59.76 1a40 s ILE 191 Cb -0.18 -0.31 0.04 0.00 0.13 0.00 0.00 42.46 42.14 1a40 s ILE 191 CO 0.36 0.15 0.42 -0.83 -1.91 0.00 0.00 174.94 173.13 1a40 s GLY 192 N 0.83 -0.30 -0.06 1.50 0.00 -0.12 -0.71 107.32 108.46 1a40 s GLY 192 Ca -0.09 1.05 -0.21 0.00 0.00 0.00 0.00 44.72 45.48 1a40 s GLY 192 CO -0.01 0.87 0.59 -2.52 0.00 0.00 0.00 173.10 172.04 1a40 s TYR 193 N -0.10 3.59 0.06 1.90 1.13 -1.26 -0.34 117.35 122.33 1a40 s TYR 193 Ca -0.03 1.12 -0.09 0.00 -1.41 0.00 0.00 57.07 56.66 1a40 s TYR 193 Cb -0.03 -2.66 0.00 0.00 -1.10 0.00 0.00 41.96 38.17 1a40 s TYR 193 CO 0.02 0.20 0.19 0.14 -2.51 0.00 0.00 175.55 173.59 1a40 s VAL 194 N 0.42 0.12 0.43 -3.49 -7.23 -0.45 -4.93 120.40 105.27 1a40 s VAL 194 Ca 0.32 -0.99 -0.26 0.00 -1.81 0.00 0.00 61.98 59.24 1a40 s VAL 194 Cb -0.17 -1.06 -0.09 0.00 0.56 0.00 0.00 36.38 35.62 1a40 s VAL 194 CO 0.15 -0.55 1.41 -0.70 -0.31 0.00 0.00 175.10 175.11 1a40 s GLU 195 N -3.02 3.78 0.24 4.82 2.56 -1.26 -0.34 118.70 125.49 1a40 s GLU 195 Ca -0.02 2.39 -0.11 0.00 0.00 0.00 0.00 54.97 57.23 1a40 s GLU 195 Cb 0.01 -2.71 0.34 0.00 2.00 0.00 0.00 34.13 33.77 1a40 s GLU 195 CO -0.06 -0.73 1.59 -0.92 -0.56 0.00 0.00 175.26 174.58 1a40 h TYR 196 N 2.46 -0.45 -0.92 5.30 3.20 -1.11 -0.94 116.97 124.51 1a40 h TYR 196 Ca -0.51 0.07 0.21 0.00 3.14 0.00 0.00 58.73 61.65 1a40 h TYR 196 Cb 1.26 0.32 -0.12 0.00 1.54 0.00 0.00 36.73 39.74 1a40 h TYR 196 CO 0.51 -0.35 0.47 2.35 -1.64 0.00 0.00 178.16 179.50 1a40 h TRP 197 N -0.00 0.80 0.00 -3.82 7.01 -1.87 -0.56 115.95 117.51 1a40 h TRP 197 Ca 0.39 0.04 -0.02 0.00 2.11 0.00 0.00 58.89 61.40 1a40 h TRP 197 Cb 0.59 -0.21 -0.00 0.00 -2.10 0.00 0.00 29.16 27.44 1a40 h TRP 197 CO -0.64 0.05 -0.11 1.88 -2.79 0.00 0.00 178.44 176.82 1a40 h TYR 198 N 0.52 0.00 0.00 2.65 -1.99 -1.52 0.20 116.97 116.83 1a40 h TYR 198 Ca 0.56 0.00 -0.00 0.00 2.00 0.00 0.00 58.73 61.29 1a40 h TYR 198 Cb 1.01 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 39.74 1a40 h TYR 198 CO -0.08 0.11 -0.00 0.00 -0.00 0.00 0.00 178.16 178.19 1a40 h ALA 199 N 1.89 0.00 -0.15 3.88 0.00 -1.22 -3.26 119.26 120.40 1a40 h ALA 199 Ca -0.00 -0.29 0.02 0.00 0.00 0.00 0.00 54.91 54.64 1a40 h ALA 199 Cb 0.22 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 1a40 h ALA 199 CO 0.01 0.00 0.00 -0.22 0.00 0.00 0.00 179.25 179.05 1a40 h LYS 200 N -1.00 0.06 0.00 0.00 1.63 -1.04 -0.58 116.57 115.63 1a40 h LYS 200 Ca -0.00 -0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 1a40 h LYS 200 Cb 0.58 -0.01 0.00 0.00 -0.60 0.00 0.00 32.23 32.19 1a40 h LYS 200 CO -0.00 0.04 0.00 1.04 -3.45 0.00 0.00 179.45 177.08 1a40 n GLN 201 N -5.12 0.12 -0.21 1.90 1.13 0.69 -2.27 117.38 113.62 1a40 n GLN 201 Ca -0.04 0.26 0.07 0.00 -1.94 0.00 0.00 57.00 55.35 1a40 n GLN 201 Cb 0.09 -1.69 0.19 0.00 0.11 0.00 0.00 30.24 28.93 1a40 n GLN 201 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 1a40 n ASN 202 N -1.90 3.11 -3.94 1.08 3.02 -1.04 -4.98 115.26 110.62 1a40 n ASN 202 Ca 0.04 -1.98 -0.28 0.00 -0.03 0.00 0.00 54.58 52.33 1a40 n ASN 202 Cb 0.27 -0.28 0.00 0.00 -0.61 0.00 0.00 39.78 39.17 1a40 n ASN 202 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1a40 n ASN 203 N 0.78 -2.48 -4.83 6.41 3.02 -0.82 -4.95 115.26 112.39 1a40 n ASN 203 Ca 0.14 -0.90 -0.37 0.00 -0.03 0.00 0.00 54.58 53.43 1a40 n ASN 203 Cb 0.47 -3.47 -0.07 0.00 -0.61 0.00 0.00 39.78 36.10 1a40 n ASN 203 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1a40 s LEU 204 N -7.06 4.35 0.51 3.41 1.43 -0.29 -5.04 118.68 115.99 1a40 s LEU 204 Ca 0.35 0.47 -0.21 0.00 -1.03 0.00 0.00 54.13 53.72 1a40 s LEU 204 Cb -0.18 -2.16 -0.06 0.00 0.03 0.00 0.00 46.19 43.81 1a40 s LEU 204 CO 0.86 0.32 1.14 0.00 0.23 0.00 0.00 176.35 178.91 1a40 s ALA 205 N -0.59 2.80 0.22 4.21 0.00 -1.25 -4.53 121.76 122.62 1a40 s ALA 205 Ca 0.15 0.87 0.01 0.00 0.00 0.00 0.00 51.96 52.98 1a40 s ALA 205 Cb -0.12 -3.37 -0.05 0.00 0.00 0.00 0.00 23.12 19.58 1a40 s ALA 205 CO 0.04 -0.73 0.07 1.52 0.00 0.00 0.00 175.76 176.66 1a40 s TYR 206 N -1.68 1.36 0.35 0.00 -0.85 -1.26 -0.80 117.35 114.47 1a40 s TYR 206 Ca 0.69 -1.17 0.07 0.00 -0.52 0.00 0.00 57.07 56.15 1a40 s TYR 206 Cb -0.26 -0.78 -0.02 0.00 0.38 0.00 0.00 41.96 41.29 1a40 s TYR 206 CO 0.30 -0.35 0.36 0.95 -1.52 0.00 0.00 175.55 175.28 1a40 s THR 207 N -3.80 3.52 0.53 -3.49 -4.23 -0.91 -0.03 115.64 107.23 1a40 s THR 207 Ca 0.34 -1.26 -0.02 0.00 -1.18 0.00 0.00 61.69 59.57 1a40 s THR 207 Cb 0.07 -3.20 0.01 0.00 1.34 0.00 0.00 72.50 70.72 1a40 s THR 207 CO 0.10 -0.14 0.78 -0.54 -0.54 0.00 0.00 174.62 174.29 1a40 s LYS 208 N -4.07 2.84 0.06 3.99 1.02 0.98 -4.66 119.74 119.90 1a40 s LYS 208 Ca 0.43 -0.41 0.01 0.00 0.02 0.00 0.00 55.97 56.03 1a40 s LYS 208 Cb -0.07 -2.44 -0.03 0.00 -0.52 0.00 0.00 37.83 34.78 1a40 s LYS 208 CO 0.28 -0.56 -0.06 -0.51 -0.92 0.00 0.00 175.35 173.58 1a40 s LEU 209 N -4.77 2.37 -0.04 3.17 1.43 -0.83 -2.66 118.68 117.35 1a40 s LEU 209 Ca 0.53 -0.75 -0.27 0.00 -1.03 0.00 0.00 54.13 52.60 1a40 s LEU 209 Cb -0.10 -0.05 -0.03 0.00 0.03 0.00 0.00 46.19 46.03 1a40 s LEU 209 CO 0.40 -0.35 0.87 -0.63 0.23 0.00 0.00 176.35 176.88 1a40 s ILE 210 N -2.45 4.93 0.98 -0.59 -1.09 -0.86 -0.39 121.20 121.73 1a40 s ILE 210 Ca -0.01 1.82 -0.13 0.00 -2.23 0.00 0.00 60.65 60.10 1a40 s ILE 210 Cb -0.03 -4.21 0.18 0.00 -1.58 0.00 0.00 42.46 36.82 1a40 s ILE 210 CO -0.03 0.18 1.12 -0.94 -1.23 0.00 0.00 174.94 174.04 1a40 s SER 211 N 0.95 2.82 0.44 3.58 1.04 0.13 -4.74 113.70 117.91 1a40 s SER 211 Ca 0.46 1.03 0.12 0.00 0.48 0.00 0.00 55.95 58.04 1a40 s SER 211 Cb -0.19 -1.62 1.01 0.00 0.10 0.00 0.00 66.02 65.32 1a40 s SER 211 CO 0.23 -2.99 2.03 0.00 0.98 0.00 0.00 173.24 173.49 1a40 h ALA 212 N -1.80 1.93 0.00 5.32 0.00 -1.82 -0.26 119.26 122.63 1a40 h ALA 212 Ca -0.52 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.37 1a40 h ALA 212 Cb 1.33 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1a40 h ALA 212 CO 0.58 -0.01 0.00 -0.25 0.00 0.00 0.00 179.25 179.57 1a40 n ASP 213 N -4.48 0.00 0.00 0.00 8.00 -1.26 -4.91 116.55 113.91 1a40 n ASP 213 Ca 0.06 0.49 0.00 0.00 0.71 0.00 0.00 54.79 56.05 1a40 n ASP 213 Cb 0.24 -0.49 0.00 0.00 -0.02 0.00 0.00 41.12 40.85 1a40 n ASP 213 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1a40 n GLY 214 N 0.68 1.16 3.29 0.44 0.00 -0.11 -5.10 105.19 105.55 1a40 n GLY 214 Ca 0.05 -0.17 -0.30 0.00 0.00 0.00 0.00 46.02 45.60 1a40 n GLY 214 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1a40 s LYS 215 N -0.68 2.01 0.20 1.61 2.20 -1.26 -4.80 119.74 119.03 1a40 s LYS 215 Ca 0.00 -0.90 -0.31 0.00 -0.36 0.00 0.00 55.97 54.40 1a40 s LYS 215 Cb 0.00 -1.95 -0.10 0.00 -1.51 0.00 0.00 37.83 34.27 1a40 s LYS 215 CO 0.00 0.54 1.49 -1.25 -0.36 0.00 0.00 175.35 175.77 1a40 s PRO 216 N -0.61 4.25 0.05 4.03 0.04 -1.26 0.18 135.00 141.69 1a40 s PRO 216 Ca 0.10 2.30 0.04 0.00 0.04 0.00 0.00 61.00 63.48 1a40 s PRO 216 Cb -0.10 -3.14 -0.03 0.00 0.04 0.00 0.00 34.50 31.28 1a40 s PRO 216 CO -0.01 -0.50 -0.11 0.14 0.04 0.00 0.00 177.00 176.55 1a40 s VAL 217 N 0.60 0.87 0.08 -0.36 -7.23 0.48 -4.89 120.40 109.96 1a40 s VAL 217 Ca 0.64 -1.16 -0.08 0.00 -1.81 0.00 0.00 61.98 59.58 1a40 s VAL 217 Cb -0.42 -0.86 -0.06 0.00 0.56 0.00 0.00 36.38 35.60 1a40 s VAL 217 CO 0.37 -0.25 0.37 -0.44 -0.31 0.00 0.00 175.10 174.84 1a40 s SER 218 N -1.57 6.57 -0.23 4.85 0.01 -1.26 -1.96 113.70 120.12 1a40 s SER 218 Ca -0.05 0.70 -0.28 0.00 1.31 0.00 0.00 55.95 57.63 1a40 s SER 218 Cb -0.10 -2.14 0.01 0.00 0.21 0.00 0.00 66.02 64.00 1a40 s SER 218 CO 0.01 0.15 1.00 -2.16 0.41 0.00 0.00 173.24 172.65 1a40 s PRO 219 N -2.09 4.26 0.09 12.44 0.04 -1.26 -4.82 135.00 143.65 1a40 s PRO 219 Ca 0.34 1.29 -0.10 0.00 0.04 0.00 0.00 61.00 62.57 1a40 s PRO 219 Cb -0.13 -3.64 0.00 0.00 0.04 0.00 0.00 34.50 30.78 1a40 s PRO 219 CO 0.19 -0.59 0.22 0.95 0.04 0.00 0.00 177.00 177.82 1a40 s THR 220 N 3.07 0.13 0.26 1.26 -4.23 -1.26 -5.02 115.64 109.84 1a40 s THR 220 Ca 0.43 -1.05 -0.02 0.00 -1.18 0.00 0.00 61.69 59.86 1a40 s THR 220 Cb -0.15 -1.26 0.23 0.00 1.34 0.00 0.00 72.50 72.66 1a40 s THR 220 CO 0.07 -0.58 1.80 -0.08 -0.54 0.00 0.00 174.62 175.29 1a40 h GLU 221 N 2.78 0.75 -0.34 3.99 4.22 -1.95 -0.56 114.58 123.47 1a40 h GLU 221 Ca -0.34 -0.05 -0.10 0.00 0.08 0.00 0.00 59.36 58.95 1a40 h GLU 221 Cb 1.21 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 30.27 1a40 h GLU 221 CO 0.54 0.50 -0.22 0.93 -2.18 0.00 0.00 179.01 178.58 1a40 h GLU 222 N 0.78 0.65 0.00 1.92 3.07 -1.96 -1.90 114.58 117.13 1a40 h GLU 222 Ca 0.43 -0.25 -0.09 0.00 -0.50 0.00 0.00 59.36 58.95 1a40 h GLU 222 Cb 0.47 -0.04 -0.01 0.00 -0.84 0.00 0.00 28.75 28.33 1a40 h GLU 222 CO -0.28 0.82 -0.45 -0.91 -1.40 0.00 0.00 179.01 176.79 1a40 h ASN 223 N 0.57 0.00 -0.22 1.42 2.35 -1.47 0.37 115.58 118.61 1a40 h ASN 223 Ca 0.08 0.00 -0.15 0.00 -0.55 0.00 0.00 56.30 55.68 1a40 h ASN 223 Cb 0.69 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.06 1a40 h ASN 223 CO 0.05 0.45 -0.47 -0.26 -1.65 0.00 0.00 177.43 175.55 1a40 h PHE 224 N 0.00 0.89 -0.58 1.19 0.04 -0.92 -1.33 116.94 116.24 1a40 h PHE 224 Ca -0.00 -0.33 -0.01 0.00 2.80 0.00 0.00 57.97 60.43 1a40 h PHE 224 Cb 1.05 -0.16 -0.03 0.00 2.20 0.00 0.00 35.95 39.01 1a40 h PHE 224 CO 0.00 1.11 0.33 0.00 -0.60 0.00 0.00 178.31 179.15 1a40 h ALA 225 N 0.61 0.74 -0.99 2.45 0.00 -0.98 -2.51 119.26 118.58 1a40 h ALA 225 Ca 0.00 -0.09 0.07 0.00 0.00 0.00 0.00 54.91 54.90 1a40 h ALA 225 Cb 1.08 -0.23 -0.07 0.00 0.00 0.00 0.00 17.79 18.57 1a40 h ALA 225 CO 0.10 0.24 0.64 -0.91 0.00 0.00 0.00 179.25 179.32 1a40 h ASN 226 N 0.78 1.01 0.20 0.00 2.35 -0.86 -0.92 115.58 118.13 1a40 h ASN 226 Ca 0.20 0.01 -0.00 0.00 -0.55 0.00 0.00 56.30 55.96 1a40 h ASN 226 Cb 0.02 -0.20 -0.00 0.00 0.05 0.00 0.00 38.32 38.19 1a40 h ASN 226 CO -0.04 0.64 -0.02 0.00 -1.65 0.00 0.00 177.43 176.36 1a40 h ALA 227 N 1.46 1.18 -0.03 -0.83 0.00 -0.99 -2.00 119.26 118.04 1a40 h ALA 227 Ca 0.43 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.32 1a40 h ALA 227 Cb 0.19 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1a40 h ALA 227 CO -0.18 0.03 -0.07 0.00 0.00 0.00 0.00 179.25 179.03 1a40 n ALA 228 N -2.18 2.62 0.01 0.00 0.00 -0.37 -4.53 120.51 116.07 1a40 n ALA 228 Ca -0.02 -0.66 0.08 0.00 0.00 0.00 0.00 53.44 52.84 1a40 n ALA 228 Cb 0.13 -0.84 0.49 0.00 0.00 0.00 0.00 19.45 19.24 1a40 n ALA 228 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1a40 h LYS 229 N 4.16 0.39 -0.37 0.00 1.57 -1.14 -1.17 116.57 120.01 1a40 h LYS 229 Ca 0.00 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 1a40 h LYS 229 Cb 0.92 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 33.14 1a40 h LYS 229 CO 0.00 0.26 0.00 0.41 -0.57 0.00 0.00 179.45 179.55 1a40 n GLY 230 N -1.51 0.73 3.69 3.86 0.00 -1.26 -4.91 105.19 105.79 1a40 n GLY 230 Ca 0.05 -0.40 -0.42 0.00 0.00 0.00 0.00 46.02 45.24 1a40 n GLY 230 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a40 s ALA 231 N -1.51 3.48 -1.20 4.61 0.00 -0.45 -4.94 121.76 121.75 1a40 s ALA 231 Ca 0.25 0.58 -0.10 0.00 0.00 0.00 0.00 51.96 52.70 1a40 s ALA 231 Cb 0.13 -3.50 0.21 0.00 0.00 0.00 0.00 23.12 19.96 1a40 s ALA 231 CO 0.17 -0.73 1.54 -3.47 0.00 0.00 0.00 175.76 173.27 1a40 n ASP 232 N 5.14 5.44 -0.24 0.00 -0.08 -1.26 -4.81 116.55 120.74 1a40 n ASP 232 Ca 0.10 -3.11 0.28 0.00 -1.51 0.00 0.00 54.79 50.55 1a40 n ASP 232 Cb 0.47 -1.46 0.67 0.00 2.34 0.00 0.00 41.12 43.13 1a40 n ASP 232 CO 0.00 0.00 0.00 -0.50 0.12 0.00 0.00 177.20 176.82 1a40 h TRP 233 N 6.30 0.18 -0.92 -0.67 4.06 -1.93 -0.53 115.95 122.45 1a40 h TRP 233 Ca 0.30 0.01 0.16 0.00 2.06 0.00 0.00 58.89 61.42 1a40 h TRP 233 Cb 0.75 -0.05 -0.08 0.00 -1.00 0.00 0.00 29.16 28.78 1a40 h TRP 233 CO 1.08 0.03 0.59 1.03 -3.56 0.00 0.00 178.44 177.61 1a40 h SER 234 N 0.12 0.63 -0.00 -3.49 0.87 -1.99 -2.73 113.55 106.96 1a40 h SER 234 Ca 0.49 0.05 -0.14 0.00 -1.23 0.00 0.00 61.79 60.96 1a40 h SER 234 Cb 1.71 -0.07 0.01 0.00 -0.44 0.00 0.00 62.40 63.61 1a40 h SER 234 CO -0.08 0.29 -0.53 0.11 -0.53 0.00 0.00 176.83 176.10 1a40 h LYS 235 N 0.65 0.36 -2.08 2.24 1.57 -1.50 -3.48 116.57 114.33 1a40 h LYS 235 Ca 0.48 -0.39 0.05 0.00 -1.87 0.00 0.00 60.65 58.92 1a40 h LYS 235 Cb 0.84 0.11 -0.18 0.00 0.08 0.00 0.00 32.23 33.07 1a40 h LYS 235 CO -0.23 1.07 0.41 0.95 -0.57 0.00 0.00 179.45 181.08 1a40 s THR 236 N -3.19 0.00 -0.21 -0.16 -4.23 -1.03 -5.01 115.64 101.81 1a40 s THR 236 Ca -0.14 0.00 0.21 0.00 -1.18 0.00 0.00 61.69 60.58 1a40 s THR 236 Cb 0.03 -1.00 0.22 0.00 1.34 0.00 0.00 72.50 73.09 1a40 s THR 236 CO 0.80 0.00 1.60 -0.26 -0.54 0.00 0.00 174.62 176.23 1a40 h PHE 237 N 2.38 0.00 0.00 3.99 0.04 -1.92 -3.40 116.94 118.03 1a40 h PHE 237 Ca -0.23 0.00 -0.67 0.00 2.80 0.00 0.00 57.97 59.87 1a40 h PHE 237 Cb 1.20 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 39.35 1a40 h PHE 237 CO 0.29 0.23 3.07 0.00 -0.60 0.00 0.00 178.31 181.31 1a40 n ALA 238 N -2.17 5.43 -2.54 2.45 0.00 -1.26 -4.88 120.51 117.54 1a40 n ALA 238 Ca 0.02 -3.60 -0.39 0.00 0.00 0.00 0.00 53.44 49.47 1a40 n ALA 238 Cb 0.58 -3.50 -0.05 0.00 0.00 0.00 0.00 19.45 16.48 1a40 n ALA 238 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1a40 s GLN 239 N 3.38 4.40 -0.35 0.00 -1.52 -1.26 -5.03 119.66 119.27 1a40 s GLN 239 Ca 0.52 0.84 -0.23 0.00 -1.95 0.00 0.00 55.36 54.54 1a40 s GLN 239 Cb 0.15 -3.38 0.01 0.00 -0.22 0.00 0.00 33.01 29.56 1a40 s GLN 239 CO -0.04 0.25 0.79 0.34 -0.25 0.00 0.00 175.29 176.38 1a40 s ASP 240 N 0.17 6.58 -0.13 5.90 2.15 -1.26 -4.74 116.67 125.34 1a40 s ASP 240 Ca 0.34 0.43 0.15 0.00 0.43 0.00 0.00 52.55 53.90 1a40 s ASP 240 Cb -0.18 -2.40 0.48 0.00 -0.30 0.00 0.00 42.92 40.52 1a40 s ASP 240 CO 0.18 -0.72 1.39 0.18 -0.17 0.00 0.00 175.17 176.04 1a40 n LEU 241 N 6.40 3.71 -4.85 -1.34 4.77 -1.26 -4.96 117.00 119.48 1a40 n LEU 241 Ca 0.03 -2.70 -0.36 0.00 -0.03 0.00 0.00 56.01 52.96 1a40 n LEU 241 Cb 0.48 -0.46 -0.06 0.00 -2.33 0.00 0.00 43.42 41.05 1a40 n LEU 241 CO 0.53 0.69 0.15 0.42 -1.33 0.00 0.00 177.39 177.85 1a40 s THR 242 N -2.26 4.98 -1.35 -5.08 -4.23 -1.24 -3.43 115.64 103.03 1a40 s THR 242 Ca 0.37 0.73 -0.06 0.00 -1.18 0.00 0.00 61.69 61.55 1a40 s THR 242 Cb 0.28 -3.71 0.00 0.00 1.34 0.00 0.00 72.50 70.41 1a40 s THR 242 CO 0.12 0.37 0.49 -3.20 -0.54 0.00 0.00 174.62 171.86 1a40 n ASN 243 N 1.17 -1.44 -4.85 3.99 5.15 0.11 -4.95 115.26 114.44 1a40 n ASN 243 Ca -0.09 -1.03 -0.35 0.00 -0.60 0.00 0.00 54.58 52.51 1a40 n ASN 243 Cb 0.52 -3.02 -0.06 0.00 -0.53 0.00 0.00 39.78 36.70 1a40 n ASN 243 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 1a40 s GLN 244 N -6.50 3.98 0.72 1.20 -1.52 -1.26 -4.73 119.66 111.55 1a40 s GLN 244 Ca 0.12 0.51 -0.12 0.00 -1.95 0.00 0.00 55.36 53.91 1a40 s GLN 244 Cb -0.05 -2.85 0.03 0.00 -0.22 0.00 0.00 33.01 29.92 1a40 s GLN 244 CO 0.89 0.43 1.10 0.15 -0.25 0.00 0.00 175.29 177.60 1a40 s LYS 245 N -2.15 2.50 0.00 2.91 -0.14 -1.26 -4.15 119.74 117.45 1a40 s LYS 245 Ca 0.41 1.24 0.00 0.00 -1.36 0.00 0.00 55.97 56.26 1a40 s LYS 245 Cb -0.14 -1.92 0.00 0.00 -1.68 0.00 0.00 37.83 34.08 1a40 s LYS 245 CO 0.20 -1.46 0.00 0.41 -0.76 0.00 0.00 175.35 173.73 1a40 n GLY 246 N -0.97 3.43 3.72 -3.33 0.00 -1.26 -4.88 105.19 101.90 1a40 n GLY 246 Ca 0.09 -1.84 -0.42 0.00 0.00 0.00 0.00 46.02 43.86 1a40 n GLY 246 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1a40 s GLU 247 N -3.41 4.19 -1.42 1.61 2.56 -1.26 -2.99 118.70 117.98 1a40 s GLU 247 Ca 0.00 2.43 -0.10 0.00 0.00 0.00 0.00 54.97 57.30 1a40 s GLU 247 Cb 0.00 -3.12 0.06 0.00 2.00 0.00 0.00 34.13 33.07 1a40 s GLU 247 CO 0.00 -0.63 0.66 -0.25 -0.56 0.00 0.00 175.26 174.48 1a40 n ASP 248 N 3.74 -4.54 -4.54 -1.70 8.00 -1.26 -4.90 116.55 111.35 1a40 n ASP 248 Ca 0.13 -0.49 -0.43 0.00 0.71 0.00 0.00 54.79 54.72 1a40 n ASP 248 Cb 0.38 -3.69 -0.05 0.00 -0.02 0.00 0.00 41.12 37.74 1a40 n ASP 248 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1a40 s ALA 249 N -3.09 3.27 0.15 2.24 0.00 -1.16 -4.47 121.76 118.70 1a40 s ALA 249 Ca 0.46 -1.06 -0.32 0.00 0.00 0.00 0.00 51.96 51.04 1a40 s ALA 249 Cb -0.23 -3.52 -0.12 0.00 0.00 0.00 0.00 23.12 19.24 1a40 s ALA 249 CO 0.57 -2.02 1.74 1.87 0.00 0.00 0.00 175.76 177.92 1a40 n TRP 250 N 6.85 2.58 0.29 0.00 -0.00 -0.54 -4.63 117.44 121.99 1a40 n TRP 250 Ca 0.02 0.03 0.17 0.00 -0.00 0.00 0.00 57.50 57.71 1a40 n TRP 250 Cb 0.48 -2.66 0.65 0.00 -0.00 0.00 0.00 31.31 29.78 1a40 n TRP 250 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 177.69 176.69 1a40 h PRO 251 N 7.29 0.00 -2.21 5.87 0.13 -1.91 -3.33 132.00 137.84 1a40 h PRO 251 Ca -0.45 0.00 -0.60 0.00 -0.87 0.00 0.00 66.00 64.08 1a40 h PRO 251 Cb 1.22 0.00 -0.42 0.00 0.13 0.00 0.00 31.00 31.93 1a40 h PRO 251 CO 0.94 0.00 -0.60 -0.89 -0.23 0.00 0.00 178.00 177.22 1a40 n ILE 252 N -3.00 2.50 -4.08 -3.56 5.41 -1.26 0.07 119.36 115.44 1a40 n ILE 252 Ca 0.01 -5.29 -0.22 0.00 1.00 0.00 0.00 62.75 58.25 1a40 n ILE 252 Cb 0.31 -1.98 -0.04 0.00 -0.71 0.00 0.00 39.64 37.21 1a40 n ILE 252 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 176.55 175.66 1a40 s THR 253 N -2.83 4.50 -0.16 1.39 2.01 -1.22 0.10 115.64 119.42 1a40 s THR 253 Ca 0.42 -1.36 -0.30 0.00 0.31 0.00 0.00 61.69 60.76 1a40 s THR 253 Cb 0.17 -3.44 0.13 0.00 0.01 0.00 0.00 72.50 69.37 1a40 s THR 253 CO -0.03 -0.34 1.01 -0.55 -0.69 0.00 0.00 174.62 174.02 1a40 s SER 254 N -3.87 -0.35 0.50 3.53 0.15 -0.97 -3.72 113.70 108.98 1a40 s SER 254 Ca 0.33 0.38 0.00 0.00 0.70 0.00 0.00 55.95 57.37 1a40 s SER 254 Cb -0.08 0.29 0.06 0.00 -1.71 0.00 0.00 66.02 64.58 1a40 s SER 254 CO 0.25 -0.33 0.43 1.07 1.20 0.00 0.00 173.24 175.87 1a40 n THR 255 N 0.71 0.00 -3.68 6.45 5.66 -1.26 -1.09 114.28 121.05 1a40 n THR 255 Ca -0.10 -0.72 -0.12 0.00 -3.05 0.00 0.00 64.05 60.06 1a40 n THR 255 Cb 0.58 -1.12 -0.07 0.00 -1.55 0.00 0.00 70.33 68.18 1a40 n THR 255 CO 0.00 0.00 0.00 0.28 -3.05 0.00 0.00 175.07 172.30 1a40 s THR 256 N -1.16 0.06 0.17 1.09 -1.32 -1.21 -4.80 115.64 108.47 1a40 s THR 256 Ca 0.29 -0.51 0.10 0.00 -1.21 0.00 0.00 61.69 60.36 1a40 s THR 256 Cb -0.02 -0.95 -0.04 0.00 -1.51 0.00 0.00 72.50 69.98 1a40 s THR 256 CO 0.19 -0.28 -0.21 -0.36 -2.21 0.00 0.00 174.62 171.75 1a40 s PHE 257 N -2.50 2.06 -0.09 9.09 0.40 0.17 -1.69 117.98 125.41 1a40 s PHE 257 Ca -0.05 -0.41 -0.00 0.00 -0.60 0.00 0.00 56.93 55.87 1a40 s PHE 257 Cb -0.01 -1.03 -0.03 0.00 0.51 0.00 0.00 43.02 42.46 1a40 s PHE 257 CO -0.03 0.40 -0.07 0.42 0.70 0.00 0.00 175.22 176.64 1a40 s ILE 258 N -1.76 3.66 -0.14 0.64 -1.09 -0.37 -1.37 121.20 120.77 1a40 s ILE 258 Ca 0.17 -0.48 0.00 0.00 -2.23 0.00 0.00 60.65 58.12 1a40 s ILE 258 Cb -0.07 -2.52 -0.01 0.00 -1.58 0.00 0.00 42.46 38.28 1a40 s ILE 258 CO 0.08 0.57 -0.15 -0.76 -1.23 0.00 0.00 174.94 173.45 1a40 s LEU 259 N -0.41 2.56 0.04 2.97 2.01 0.33 -2.08 118.68 124.10 1a40 s LEU 259 Ca 0.06 -0.41 -0.01 0.00 0.01 0.00 0.00 54.13 53.78 1a40 s LEU 259 Cb -0.12 -1.57 -0.03 0.00 0.01 0.00 0.00 46.19 44.47 1a40 s LEU 259 CO 0.02 0.13 -0.03 0.27 1.01 0.00 0.00 176.35 177.76 1a40 s ILE 260 N 0.55 0.18 0.27 -0.59 -4.36 -0.83 -0.23 121.20 116.19 1a40 s ILE 260 Ca -0.09 -1.45 -0.30 0.00 -0.26 0.00 0.00 60.65 58.55 1a40 s ILE 260 Cb -0.16 -1.03 -0.09 0.00 1.25 0.00 0.00 42.46 42.43 1a40 s ILE 260 CO 0.04 -0.80 1.09 -1.00 0.24 0.00 0.00 174.94 174.50 1a40 s HIS 261 N -2.96 3.61 0.17 1.37 3.76 -1.26 -0.78 115.29 119.20 1a40 s HIS 261 Ca -0.02 1.71 -0.03 0.00 -0.15 0.00 0.00 55.06 56.57 1a40 s HIS 261 Cb 0.01 -3.26 0.05 0.00 1.11 0.00 0.00 32.58 30.48 1a40 s HIS 261 CO -0.06 -0.48 1.44 0.87 -0.85 0.00 0.00 174.74 175.66 1a40 h LYS 262 N 3.91 0.49 -4.21 1.40 1.57 -1.48 -3.39 116.57 114.87 1a40 h LYS 262 Ca -0.46 -0.38 -0.75 0.00 -1.87 0.00 0.00 60.65 57.19 1a40 h LYS 262 Cb 1.21 0.07 -0.25 0.00 0.08 0.00 0.00 32.23 33.34 1a40 h LYS 262 CO 0.67 1.00 -0.30 0.34 -0.57 0.00 0.00 179.45 180.60 1a40 s ASP 263 N -6.98 6.05 -0.49 0.86 -1.08 -1.26 -0.89 116.67 112.89 1a40 s ASP 263 Ca -0.07 -1.68 -0.25 0.00 -0.52 0.00 0.00 52.55 50.03 1a40 s ASP 263 Cb 0.10 -2.15 0.03 0.00 -1.46 0.00 0.00 42.92 39.44 1a40 s ASP 263 CO 0.85 -0.75 0.94 -1.10 0.52 0.00 0.00 175.17 175.62 1a40 s GLN 264 N 1.55 3.48 0.36 4.34 -1.52 0.34 -4.89 119.66 123.32 1a40 s GLN 264 Ca 0.04 0.07 0.18 0.00 -1.95 0.00 0.00 55.36 53.70 1a40 s GLN 264 Cb -0.27 -3.96 0.58 0.00 -0.22 0.00 0.00 33.01 29.14 1a40 s GLN 264 CO 0.03 -1.30 1.68 0.87 -0.25 0.00 0.00 175.29 176.33 1a40 h LYS 265 N 9.15 0.00 -2.79 2.91 1.57 -1.95 -3.29 116.57 122.17 1a40 h LYS 265 Ca -0.25 0.00 -0.62 0.00 -1.87 0.00 0.00 60.65 57.92 1a40 h LYS 265 Cb 1.07 0.00 -0.42 0.00 0.08 0.00 0.00 32.23 32.97 1a40 h LYS 265 CO 1.05 0.39 -0.54 1.63 -0.57 0.00 0.00 179.45 181.41 1a40 n LYS 266 N -3.46 2.15 -0.05 3.15 5.02 -1.26 -4.98 118.16 118.72 1a40 n LYS 266 Ca 0.00 -4.56 0.22 0.00 -2.02 0.00 0.00 58.31 51.95 1a40 n LYS 266 Cb 0.55 -2.29 0.69 0.00 -0.02 0.00 0.00 35.03 33.96 1a40 n LYS 266 CO 0.00 0.00 0.00 -1.00 -0.52 0.00 0.00 177.40 175.88 1a40 h PRO 267 N 4.99 0.02 -0.53 1.97 0.13 -1.95 -1.79 132.00 134.83 1a40 h PRO 267 Ca 0.17 -0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 65.20 1a40 h PRO 267 Cb 0.72 -0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.83 1a40 h PRO 267 CO 0.77 0.01 -0.05 0.93 -0.23 0.00 0.00 178.00 179.44 1a40 h GLU 268 N 0.02 0.98 -0.27 0.86 5.08 -1.94 -0.55 114.58 118.76 1a40 h GLU 268 Ca 0.30 -0.34 -0.01 0.00 -1.00 0.00 0.00 59.36 58.31 1a40 h GLU 268 Cb 1.17 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 30.33 1a40 h GLU 268 CO -0.01 1.01 0.12 1.96 -1.00 0.00 0.00 179.01 181.09 1a40 h GLN 269 N 0.85 0.39 -0.48 2.33 1.08 -1.75 -1.00 115.11 116.53 1a40 h GLN 269 Ca 0.15 -0.06 -0.01 0.00 -1.45 0.00 0.00 58.65 57.27 1a40 h GLN 269 Cb 0.60 -0.07 -0.02 0.00 -0.05 0.00 0.00 27.48 27.94 1a40 h GLN 269 CO 0.04 0.40 0.26 0.78 -0.95 0.00 0.00 178.83 179.36 1a40 h GLY 270 N 0.29 0.72 0.83 3.46 0.00 -1.36 -0.19 103.07 106.82 1a40 h GLY 270 Ca 0.09 -0.33 0.04 0.00 0.00 0.00 0.00 47.33 47.13 1a40 h GLY 270 CO -0.01 0.32 0.50 -0.84 0.00 0.00 0.00 176.54 176.51 1a40 h THR 271 N 0.64 1.09 -0.11 4.70 2.02 -0.89 -1.53 112.91 118.83 1a40 h THR 271 Ca 0.17 -0.33 -0.16 0.00 0.77 0.00 0.00 66.41 66.86 1a40 h THR 271 Cb 0.05 0.05 -0.01 0.00 -1.74 0.00 0.00 68.15 66.50 1a40 h THR 271 CO -0.03 0.18 -0.61 -0.33 0.37 0.00 0.00 175.52 175.10 1a40 h GLU 272 N 0.96 0.37 -0.70 6.66 4.39 -0.83 -1.66 114.58 123.76 1a40 h GLU 272 Ca 0.33 -0.26 -0.06 0.00 0.34 0.00 0.00 59.36 59.71 1a40 h GLU 272 Cb 0.06 0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 28.71 1a40 h GLU 272 CO -0.13 0.87 0.21 0.28 -1.16 0.00 0.00 179.01 179.08 1a40 h VAL 273 N 0.27 1.26 -0.52 3.13 2.07 -0.41 -1.40 116.25 120.65 1a40 h VAL 273 Ca -0.01 -0.91 -0.11 0.00 0.82 0.00 0.00 66.70 66.50 1a40 h VAL 273 Cb 1.14 0.51 -0.02 0.00 -1.52 0.00 0.00 31.29 31.40 1a40 h VAL 273 CO 0.10 0.35 -0.10 -0.07 0.02 0.00 0.00 177.57 177.88 1a40 h LEU 274 N 1.04 0.96 -0.80 2.57 3.38 -1.13 -2.29 115.31 119.04 1a40 h LEU 274 Ca 0.23 -0.30 -0.09 0.00 0.09 0.00 0.00 57.88 57.81 1a40 h LEU 274 Cb 0.32 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 1a40 h LEU 274 CO -0.01 1.07 -0.02 0.11 0.09 0.00 0.00 178.44 179.68 1a40 h LYS 275 N 0.86 0.88 0.00 1.13 1.57 -1.01 0.18 116.57 120.19 1a40 h LYS 275 Ca 0.14 -0.26 -0.00 0.00 -1.87 0.00 0.00 60.65 58.66 1a40 h LYS 275 Cb 0.64 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.86 1a40 h LYS 275 CO 0.04 0.89 -0.00 0.35 -0.57 0.00 0.00 179.45 180.17 1a40 h PHE 276 N 0.81 -0.00 -0.01 -1.35 3.57 -1.01 -0.48 116.94 118.47 1a40 h PHE 276 Ca 0.15 -0.00 -0.10 0.00 3.53 0.00 0.00 57.97 61.55 1a40 h PHE 276 Cb 0.52 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.25 1a40 h PHE 276 CO 0.03 0.15 -0.46 0.74 -2.23 0.00 0.00 178.31 176.54 1a40 h PHE 277 N -0.16 0.04 -0.40 0.41 0.04 -1.26 -0.16 116.94 115.46 1a40 h PHE 277 Ca -0.00 -0.01 -0.09 0.00 2.80 0.00 0.00 57.97 60.66 1a40 h PHE 277 Cb 0.15 -0.01 -0.01 0.00 2.20 0.00 0.00 35.95 38.28 1a40 h PHE 277 CO -0.03 0.49 -0.12 0.22 -0.60 0.00 0.00 178.31 178.27 1a40 h ASP 278 N 0.03 0.79 -0.62 2.17 3.58 -0.85 -0.18 116.42 121.33 1a40 h ASP 278 Ca -0.00 -0.37 -0.04 0.00 0.42 0.00 0.00 57.03 57.03 1a40 h ASP 278 Cb 0.83 -0.22 -0.03 0.00 1.72 0.00 0.00 39.33 41.63 1a40 h ASP 278 CO 0.06 0.99 0.24 -0.25 -2.88 0.00 0.00 179.24 177.40 1a40 h TRP 279 N 0.59 0.98 -0.65 0.28 7.01 -0.71 -0.31 115.95 123.15 1a40 h TRP 279 Ca 0.10 -0.07 -0.07 0.00 2.11 0.00 0.00 58.89 60.96 1a40 h TRP 279 Cb 0.65 -0.30 -0.03 0.00 -2.10 0.00 0.00 29.16 27.39 1a40 h TRP 279 CO 0.05 0.77 0.15 0.00 -2.79 0.00 0.00 178.44 176.62 1a40 h ALA 280 N 1.31 0.86 -0.29 2.65 0.00 -0.36 0.53 119.26 123.96 1a40 h ALA 280 Ca 0.22 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 1a40 h ALA 280 Cb 0.21 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1a40 h ALA 280 CO -0.02 0.58 0.05 1.88 0.00 0.00 0.00 179.25 181.74 1a40 h TYR 281 N 0.97 0.51 0.00 0.00 0.05 -0.52 0.25 116.97 118.23 1a40 h TYR 281 Ca 0.20 -0.07 -0.13 0.00 0.05 0.00 0.00 58.73 58.78 1a40 h TYR 281 Cb 0.37 -0.14 -0.02 0.00 1.01 0.00 0.00 36.73 37.95 1a40 h TYR 281 CO 0.03 0.57 -0.69 1.57 -1.05 0.00 0.00 178.16 178.59 1a40 h LYS 282 N 0.30 0.00 0.00 4.88 2.10 -0.84 -3.41 116.57 119.60 1a40 h LYS 282 Ca 0.09 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.73 1a40 h LYS 282 Cb 0.34 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.67 1a40 h LYS 282 CO 0.01 0.56 -1.05 2.41 -2.00 0.00 0.00 179.45 179.38 1a40 n THR 283 N -3.21 0.05 0.47 0.07 -1.04 0.18 -4.83 114.28 105.97 1a40 n THR 283 Ca 0.00 -0.03 0.04 0.00 -2.04 0.00 0.00 64.05 62.03 1a40 n THR 283 Cb 0.78 -0.98 0.17 0.00 -1.82 0.00 0.00 70.33 68.48 1a40 n THR 283 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1a40 n GLY 284 N 2.96 1.49 0.20 3.41 0.00 0.86 -4.45 105.19 109.67 1a40 n GLY 284 Ca -0.01 -0.40 -0.08 0.00 0.00 0.00 0.00 46.02 45.52 1a40 n GLY 284 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a40 h ALA 285 N 3.24 0.58 -0.93 4.61 0.00 -1.82 -1.90 119.26 123.04 1a40 h ALA 285 Ca 0.00 -0.11 0.02 0.00 0.00 0.00 0.00 54.91 54.83 1a40 h ALA 285 Cb 0.87 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 18.43 1a40 h ALA 285 CO 0.13 0.13 0.61 -0.22 0.00 0.00 0.00 179.25 179.90 1a40 h LYS 286 N 0.58 1.19 -0.40 0.00 3.64 -1.95 -0.21 116.57 119.42 1a40 h LYS 286 Ca 0.16 -0.07 -0.06 0.00 -1.27 0.00 0.00 60.65 59.41 1a40 h LYS 286 Cb 0.10 -0.27 -0.01 0.00 -0.41 0.00 0.00 32.23 31.64 1a40 h LYS 286 CO -0.02 0.78 0.03 1.96 -2.27 0.00 0.00 179.45 179.93 1a40 h GLN 287 N 1.22 0.68 -0.11 1.90 4.20 -1.80 -0.04 115.11 121.16 1a40 h GLN 287 Ca 0.36 -0.20 -0.00 0.00 0.06 0.00 0.00 58.65 58.86 1a40 h GLN 287 Cb -0.07 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 27.63 1a40 h GLN 287 CO -0.10 0.75 0.06 0.00 -0.67 0.00 0.00 178.83 178.88 1a40 h ALA 288 N 0.90 0.14 -0.45 3.87 0.00 -0.86 -2.51 119.26 120.36 1a40 h ALA 288 Ca 0.12 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.92 1a40 h ALA 288 Cb 0.43 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 1a40 h ALA 288 CO 0.01 -0.33 0.02 -0.91 0.00 0.00 0.00 179.25 178.05 1a40 h ASN 289 N 0.09 0.68 0.22 0.00 -0.26 -0.84 -0.52 115.58 114.95 1a40 h ASN 289 Ca 0.04 -0.14 -0.03 0.00 -0.56 0.00 0.00 56.30 55.60 1a40 h ASN 289 Cb 0.06 -0.18 -0.00 0.00 -1.06 0.00 0.00 38.32 37.14 1a40 h ASN 289 CO -0.01 0.73 -0.14 -0.78 -1.06 0.00 0.00 177.43 176.17 1a40 h ASP 290 N 0.68 0.00 -0.60 5.81 3.58 -0.78 0.28 116.42 125.38 1a40 h ASP 290 Ca 0.14 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.59 1a40 h ASP 290 Cb 0.39 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.44 1a40 h ASP 290 CO 0.01 0.14 0.00 0.18 -2.88 0.00 0.00 179.24 176.70 1a40 n LEU 291 N -4.07 3.91 -1.58 2.28 4.77 -0.45 -4.94 117.00 116.93 1a40 n LEU 291 Ca -0.02 -1.96 -0.14 0.00 -0.03 0.00 0.00 56.01 53.86 1a40 n LEU 291 Cb 0.23 -0.50 -0.01 0.00 -2.33 0.00 0.00 43.42 40.81 1a40 n LEU 291 CO 0.34 0.77 -0.17 0.47 -1.33 0.00 0.00 177.39 177.46 1a40 n ASP 292 N 1.13 -4.24 -4.65 -1.43 8.00 0.09 -4.61 116.55 110.83 1a40 n ASP 292 Ca 0.22 -0.02 -0.35 0.00 0.71 0.00 0.00 54.79 55.36 1a40 n ASP 292 Cb 0.69 -3.41 -0.10 0.00 -0.02 0.00 0.00 41.12 38.28 1a40 n ASP 292 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 1a40 s TYR 293 N -2.69 3.18 0.29 1.24 1.51 -0.33 -4.37 117.35 116.18 1a40 s TYR 293 Ca 0.00 0.09 -0.22 0.00 -1.01 0.00 0.00 57.07 55.94 1a40 s TYR 293 Cb -0.00 -1.90 -0.09 0.00 -0.11 0.00 0.00 41.96 39.86 1a40 s TYR 293 CO 0.00 0.32 0.84 0.00 -1.11 0.00 0.00 175.55 175.60 1a40 s ALA 294 N -0.37 3.29 0.34 3.71 0.00 0.16 -2.72 121.76 126.17 1a40 s ALA 294 Ca 0.08 0.32 -0.17 0.00 0.00 0.00 0.00 51.96 52.19 1a40 s ALA 294 Cb -0.12 -3.00 -0.09 0.00 0.00 0.00 0.00 23.12 19.91 1a40 s ALA 294 CO 0.02 0.25 0.79 -1.12 0.00 0.00 0.00 175.76 175.70 1a40 s SER 295 N -1.75 6.85 0.37 0.00 0.01 -1.26 -0.84 113.70 117.09 1a40 s SER 295 Ca 0.49 1.40 -0.26 0.00 1.31 0.00 0.00 55.95 58.89 1a40 s SER 295 Cb -0.16 -2.42 -0.09 0.00 0.21 0.00 0.00 66.02 63.56 1a40 s SER 295 CO 0.21 -0.22 1.16 -0.76 0.41 0.00 0.00 173.24 174.05 1a40 s LEU 296 N -2.92 4.27 0.74 2.44 1.02 -1.26 -4.84 118.68 118.13 1a40 s LEU 296 Ca 0.55 2.35 -0.15 0.00 0.02 0.00 0.00 54.13 56.90 1a40 s LEU 296 Cb -0.11 -3.93 0.04 0.00 0.02 0.00 0.00 46.19 42.22 1a40 s LEU 296 CO 0.17 -0.56 1.24 -2.65 0.02 0.00 0.00 176.35 174.57 1a40 n PRO 297 N 0.32 0.61 -0.36 1.29 -0.02 -1.26 -4.82 135.00 130.77 1a40 n PRO 297 Ca 0.03 0.28 0.07 0.00 -2.02 0.00 0.00 63.50 61.86 1a40 n PRO 297 Cb 0.46 -2.48 0.25 0.00 -0.02 0.00 0.00 33.50 31.70 1a40 n PRO 297 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 1a40 h ASP 298 N -0.25 0.92 -0.91 2.55 3.32 -2.00 -1.53 116.42 118.52 1a40 h ASP 298 Ca -0.48 0.05 0.11 0.00 0.02 0.00 0.00 57.03 56.73 1a40 h ASP 298 Cb 1.32 -0.14 -0.08 0.00 0.22 0.00 0.00 39.33 40.65 1a40 h ASP 298 CO 0.49 0.49 0.54 0.77 -1.72 0.00 0.00 179.24 179.81 1a40 h SER 299 N 0.99 0.78 -0.40 6.45 4.64 -2.00 -0.96 113.55 123.05 1a40 h SER 299 Ca 0.50 0.05 -0.07 0.00 -0.47 0.00 0.00 61.79 61.80 1a40 h SER 299 Cb 0.50 -0.10 -0.01 0.00 -0.31 0.00 0.00 62.40 62.47 1a40 h SER 299 CO -0.26 0.42 -0.03 0.58 -0.87 0.00 0.00 176.83 176.66 1a40 h VAL 300 N 0.87 1.27 -0.45 0.95 2.07 -1.64 -1.43 116.25 117.89 1a40 h VAL 300 Ca 0.45 -1.07 -0.03 0.00 0.82 0.00 0.00 66.70 66.87 1a40 h VAL 300 Cb 0.46 1.16 -0.02 0.00 -1.52 0.00 0.00 31.29 31.37 1a40 h VAL 300 CO -0.27 0.36 0.14 -0.37 0.02 0.00 0.00 177.57 177.46 1a40 h VAL 301 N 0.54 1.19 -0.54 2.57 -1.51 -1.05 -1.02 116.25 116.43 1a40 h VAL 301 Ca 0.11 -0.63 -0.07 0.00 -1.23 0.00 0.00 66.70 64.89 1a40 h VAL 301 Cb 0.52 0.69 -0.02 0.00 -2.13 0.00 0.00 31.29 30.35 1a40 h VAL 301 CO 0.03 0.24 0.06 -0.33 -1.23 0.00 0.00 177.57 176.34 1a40 h GLU 302 N 0.65 0.87 -0.69 5.19 4.39 -0.79 -0.10 114.58 124.10 1a40 h GLU 302 Ca 0.15 -0.22 -0.05 0.00 0.34 0.00 0.00 59.36 59.59 1a40 h GLU 302 Cb 0.19 -0.11 -0.03 0.00 -0.10 0.00 0.00 28.75 28.70 1a40 h GLU 302 CO -0.01 0.83 0.25 1.96 -1.16 0.00 0.00 179.01 180.88 1a40 h GLN 303 N 0.82 1.05 -0.31 2.33 4.20 -0.41 -0.50 115.11 122.30 1a40 h GLN 303 Ca 0.17 -0.20 -0.01 0.00 0.06 0.00 0.00 58.65 58.66 1a40 h GLN 303 Cb 0.40 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 28.00 1a40 h GLN 303 CO 0.01 0.89 0.14 0.28 -0.67 0.00 0.00 178.83 179.48 1a40 h VAL 304 N 1.00 1.16 -0.51 -0.54 2.07 -0.61 -0.99 116.25 117.83 1a40 h VAL 304 Ca 0.23 -0.48 -0.01 0.00 0.82 0.00 0.00 66.70 67.26 1a40 h VAL 304 Cb 0.24 0.91 -0.02 0.00 -1.52 0.00 0.00 31.29 30.90 1a40 h VAL 304 CO -0.01 0.17 0.27 0.03 0.02 0.00 0.00 177.57 178.05 1a40 h ARG 305 N 0.36 0.72 -0.68 1.57 3.08 -0.75 0.96 114.38 119.64 1a40 h ARG 305 Ca 0.10 -0.09 -0.04 0.00 0.07 0.00 0.00 59.98 60.03 1a40 h ARG 305 Cb 0.14 -0.14 -0.03 0.00 0.08 0.00 0.00 29.97 30.02 1a40 h ARG 305 CO -0.01 0.57 0.28 0.00 -1.07 0.00 0.00 179.97 179.75 1a40 h ALA 306 N 1.11 1.21 -0.07 0.04 0.00 -0.95 -2.35 119.26 118.26 1a40 h ALA 306 Ca 0.18 -0.17 -0.15 0.00 0.00 0.00 0.00 54.91 54.77 1a40 h ALA 306 Cb 0.07 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 1a40 h ALA 306 CO -0.03 0.58 -0.64 0.00 0.00 0.00 0.00 179.25 179.16 1a40 h ALA 307 N 1.33 0.79 -0.59 0.00 0.00 -0.55 -2.99 119.26 117.25 1a40 h ALA 307 Ca 0.23 -0.57 -0.03 0.00 0.00 0.00 0.00 54.91 54.55 1a40 h ALA 307 Cb 0.17 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 1a40 h ALA 307 CO -0.02 0.75 0.26 -1.49 0.00 0.00 0.00 179.25 178.74 1a40 h TRP 308 N 0.19 0.88 -0.59 0.00 6.55 -0.40 0.61 115.95 123.19 1a40 h TRP 308 Ca -0.01 -0.06 0.06 0.00 0.95 0.00 0.00 58.89 59.83 1a40 h TRP 308 Cb 1.16 -0.27 -0.03 0.00 -0.86 0.00 0.00 29.16 29.16 1a40 h TRP 308 CO 0.03 0.69 0.39 0.87 -1.05 0.00 0.00 178.44 179.37 1a40 h LYS 309 N 0.81 0.57 0.00 0.49 1.57 -1.29 -1.52 116.57 117.20 1a40 h LYS 309 Ca 0.20 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.94 1a40 h LYS 309 Cb 0.16 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.35 1a40 h LYS 309 CO -0.02 0.38 -1.59 0.25 -0.57 0.00 0.00 179.45 177.90 1a40 n THR 310 N -4.47 0.00 -0.08 -0.16 -2.24 -1.09 -4.65 114.28 101.59 1a40 n THR 310 Ca 0.08 -0.30 -0.08 0.00 -2.27 0.00 0.00 64.05 61.48 1a40 n THR 310 Cb 0.22 0.40 -0.11 0.00 -2.10 0.00 0.00 70.33 68.74 1a40 n THR 310 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1a40 n ASN 311 N -1.96 1.62 -4.52 3.42 4.13 0.19 -4.94 115.26 113.20 1a40 n ASN 311 Ca -0.01 -0.02 -0.42 0.00 1.68 0.00 0.00 54.58 55.81 1a40 n ASN 311 Cb 0.47 0.64 -0.09 0.00 -1.54 0.00 0.00 39.78 39.26 1a40 n ASN 311 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 1a40 s ILE 312 N -2.36 5.07 0.10 2.41 -1.09 -0.59 -4.60 121.20 120.15 1a40 s ILE 312 Ca -0.11 -0.05 -0.01 0.00 -2.23 0.00 0.00 60.65 58.25 1a40 s ILE 312 Cb 0.05 -3.98 -0.04 0.00 -1.58 0.00 0.00 42.46 36.91 1a40 s ILE 312 CO 0.57 -0.30 0.03 -0.54 -1.23 0.00 0.00 174.94 173.46 1a40 s LYS 313 N 2.21 0.80 0.78 2.79 1.02 -0.07 -0.35 119.74 126.93 1a40 s LYS 313 Ca 0.14 -1.34 -0.08 0.00 0.02 0.00 0.00 55.97 54.71 1a40 s LYS 313 Cb -0.16 0.23 0.17 0.00 -0.52 0.00 0.00 37.83 37.55 1a40 s LYS 313 CO 0.13 -0.20 1.07 -0.40 -0.92 0.00 0.00 175.35 175.03 1a40 n ASP 314 N -0.02 0.66 0.07 2.83 5.68 -0.54 -0.51 116.55 124.72 1a40 n ASP 314 Ca -0.09 -1.74 0.06 0.00 -0.50 0.00 0.00 54.79 52.53 1a40 n ASP 314 Cb 0.63 -0.76 0.30 0.00 -1.14 0.00 0.00 41.12 40.14 1a40 n ASP 314 CO 0.00 0.00 0.00 -1.54 -1.33 0.00 0.00 177.20 174.33 1a40 n SER 315 N -3.35 0.27 -1.17 -1.12 3.41 -1.25 -1.28 113.62 109.12 1a40 n SER 315 Ca 0.15 0.60 0.12 0.00 -0.26 0.00 0.00 58.87 59.48 1a40 n SER 315 Cb 0.53 -0.65 0.24 0.00 -0.26 0.00 0.00 64.21 64.08 1a40 n SER 315 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1a40 n SER 316 N -1.84 3.49 0.00 4.04 7.64 -1.26 -4.96 113.62 120.73 1a40 n SER 316 Ca 0.00 -1.99 0.00 0.00 1.01 0.00 0.00 58.87 57.90 1a40 n SER 316 Cb 0.07 -0.29 0.00 0.00 -1.01 0.00 0.00 64.21 62.98 1a40 n SER 316 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1a40 n GLY 317 N 1.53 0.59 3.66 0.23 0.00 -0.40 -5.03 105.19 105.76 1a40 n GLY 317 Ca 0.20 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.81 1a40 n GLY 317 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1a40 s LYS 318 N -0.07 4.25 0.31 1.61 2.20 -1.26 -4.79 119.74 121.98 1a40 s LYS 318 Ca 0.00 0.90 -0.29 0.00 -0.36 0.00 0.00 55.97 56.22 1a40 s LYS 318 Cb 0.00 -3.59 -0.12 0.00 -1.51 0.00 0.00 37.83 32.61 1a40 s LYS 318 CO 0.00 -0.34 1.43 -2.30 -0.36 0.00 0.00 175.35 173.78 1a40 n PRO 319 N 5.32 2.35 -0.31 4.03 -0.02 -1.26 -1.47 135.00 143.64 1a40 n PRO 319 Ca 0.03 0.83 0.08 0.00 -2.02 0.00 0.00 63.50 62.42 1a40 n PRO 319 Cb 0.49 -2.51 0.24 0.00 -0.02 0.00 0.00 33.50 31.70 1a40 n PRO 319 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1a40 n LEU 320 N 1.45 3.05 0.00 2.45 4.77 0.53 -4.88 117.00 124.36 1a40 n LEU 320 Ca 0.07 -1.53 0.00 0.00 -0.03 0.00 0.00 56.01 54.52 1a40 n LEU 320 Cb 0.35 -0.39 0.00 0.00 -2.33 0.00 0.00 43.42 41.06 1a40 n LEU 320 CO 0.63 0.70 0.00 0.00 -1.33 0.00 0.00 177.39 177.39