#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2h1b n GLY 39 N 0.00 0.77 3.74 0.62 0.00 0.52 -5.03 105.19 105.82 2h1b n GLY 39 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 2h1b n GLY 39 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2h1b s SER 40 N -2.59 4.41 -0.06 1.61 0.01 -1.23 -4.64 113.70 111.20 2h1b s SER 40 Ca 0.00 2.09 -0.30 0.00 1.31 0.00 0.00 55.95 59.05 2h1b s SER 40 Cb 0.00 -2.56 -0.04 0.00 0.21 0.00 0.00 66.02 63.63 2h1b s SER 40 CO 0.00 -2.10 1.37 -1.81 0.41 0.00 0.00 173.24 171.10 2h1b s ASP 41 N -2.60 6.88 0.13 2.44 1.01 -1.26 -0.07 116.67 123.19 2h1b s ASP 41 Ca 0.68 1.96 -0.31 0.00 0.71 0.00 0.00 52.55 55.59 2h1b s ASP 41 Cb -0.23 -2.55 -0.10 0.00 1.01 0.00 0.00 42.92 41.06 2h1b s ASP 41 CO 0.48 -0.74 1.67 0.00 0.21 0.00 0.00 175.17 176.79 2h1b s ALA 42 N 2.93 3.76 0.20 5.23 0.00 -0.21 -4.81 121.76 128.87 2h1b s ALA 42 Ca 0.61 1.35 -0.32 0.00 0.00 0.00 0.00 51.96 53.60 2h1b s ALA 42 Cb -0.28 -3.68 -0.13 0.00 0.00 0.00 0.00 23.12 19.03 2h1b s ALA 42 CO 0.23 -1.00 1.56 -2.30 0.00 0.00 0.00 175.76 174.25 2h1b n PRO 43 N 4.88 2.30 -1.92 0.00 -0.02 -1.26 -4.96 135.00 134.01 2h1b n PRO 43 Ca 0.16 0.82 -0.33 0.00 -2.02 0.00 0.00 63.50 62.13 2h1b n PRO 43 Cb 0.39 -2.58 0.03 0.00 -0.02 0.00 0.00 33.50 31.32 2h1b n PRO 43 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 2h1b s ASN 44 N 0.75 5.39 0.18 2.55 2.47 -1.26 -4.99 114.94 120.03 2h1b s ASN 44 Ca 0.74 1.98 -0.23 0.00 0.42 0.00 0.00 52.86 55.77 2h1b s ASN 44 Cb -0.62 -2.55 0.06 0.00 -1.45 0.00 0.00 41.25 36.69 2h1b s ASN 44 CO 0.41 -1.44 0.61 0.72 -3.72 0.00 0.00 177.10 173.69 2h1b s PHE 45 N -2.27 -0.49 -0.09 0.43 -0.12 -1.26 -5.00 117.98 109.18 2h1b s PHE 45 Ca 0.67 0.24 0.00 0.00 -0.05 0.00 0.00 56.93 57.79 2h1b s PHE 45 Cb -0.20 0.58 0.02 0.00 -0.63 0.00 0.00 43.02 42.79 2h1b s PHE 45 CO 0.38 -0.90 -0.07 0.08 -0.05 0.00 0.00 175.22 174.65 2h1b s VAL 46 N -3.77 0.89 0.15 -2.49 1.01 -1.26 -1.43 120.40 113.50 2h1b s VAL 46 Ca 0.02 -0.24 0.01 0.00 0.00 0.00 0.00 61.98 61.78 2h1b s VAL 46 Cb -0.02 -0.91 -0.04 0.00 0.00 0.00 0.00 36.38 35.41 2h1b s VAL 46 CO -0.10 0.33 -0.01 -0.76 0.00 0.00 0.00 175.10 174.57 2h1b s LEU 47 N 1.46 2.15 -0.02 3.92 1.43 -0.67 -4.99 118.68 121.97 2h1b s LEU 47 Ca -0.01 -1.14 -0.04 0.00 -1.03 0.00 0.00 54.13 51.91 2h1b s LEU 47 Cb -0.13 -0.02 -0.04 0.00 0.03 0.00 0.00 46.19 46.03 2h1b s LEU 47 CO -0.05 -0.57 0.19 -1.61 0.23 0.00 0.00 176.35 174.55 2h1b s GLU 48 N -3.91 3.47 0.96 1.70 8.01 -1.26 -0.78 118.70 126.88 2h1b s GLU 48 Ca 0.22 -0.25 -0.16 0.00 0.01 0.00 0.00 54.97 54.79 2h1b s GLU 48 Cb 0.06 -3.10 0.20 0.00 -4.31 0.00 0.00 34.13 26.98 2h1b s GLU 48 CO 0.02 0.68 1.32 0.16 0.01 0.00 0.00 175.26 177.45 2h1b s ASP 49 N -1.79 3.11 0.39 -0.19 -4.77 0.41 -1.51 116.67 112.32 2h1b s ASP 49 Ca 0.26 0.22 0.28 0.00 -3.30 0.00 0.00 52.55 50.01 2h1b s ASP 49 Cb -0.13 -0.26 1.32 0.00 -1.09 0.00 0.00 42.92 42.76 2h1b s ASP 49 CO 0.17 -2.73 1.84 0.71 0.70 0.00 0.00 175.17 175.85 2h1b h THR 50 N -1.62 0.00 -0.44 2.11 1.35 -1.71 -1.15 112.91 111.45 2h1b h THR 50 Ca -0.44 -0.17 0.00 0.00 -0.55 0.00 0.00 66.41 65.25 2h1b h THR 50 Cb 1.23 0.91 0.00 0.00 -1.73 0.00 0.00 68.15 68.56 2h1b h THR 50 CO 0.37 0.00 0.00 0.59 -0.25 0.00 0.00 175.52 176.23 2h1b n ASN 51 N -2.51 3.28 0.00 5.36 5.03 -1.26 -4.96 115.26 120.20 2h1b n ASN 51 Ca 0.00 -1.94 0.00 0.00 0.87 0.00 0.00 54.58 53.51 2h1b n ASN 51 Cb 0.16 -0.29 0.00 0.00 -1.02 0.00 0.00 39.78 38.63 2h1b n ASN 51 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2h1b n GLY 52 N 1.11 0.82 3.68 7.41 0.00 -0.43 -5.06 105.19 112.72 2h1b n GLY 52 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 2h1b n GLY 52 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2h1b s LYS 53 N -0.92 4.26 -0.13 1.61 2.20 -1.26 -4.70 119.74 120.81 2h1b s LYS 53 Ca 0.00 1.93 -0.29 0.00 -0.36 0.00 0.00 55.97 57.25 2h1b s LYS 53 Cb 0.00 -3.66 -0.03 0.00 -1.51 0.00 0.00 37.83 32.64 2h1b s LYS 53 CO 0.00 -0.63 1.37 0.50 -0.36 0.00 0.00 175.35 176.23 2h1b s ARG 54 N 2.78 4.22 -0.19 4.03 3.52 -1.26 -0.45 118.95 131.60 2h1b s ARG 54 Ca 0.63 1.81 0.01 0.00 -0.13 0.00 0.00 55.73 58.05 2h1b s ARG 54 Cb -0.30 -3.81 0.03 0.00 -1.56 0.00 0.00 34.95 29.31 2h1b s ARG 54 CO 0.25 -0.73 -0.15 0.42 -0.81 0.00 0.00 175.30 174.28 2h1b s ILE 55 N 3.58 1.88 -0.20 4.11 1.01 0.04 -4.98 121.20 126.64 2h1b s ILE 55 Ca 0.60 -1.03 -0.04 0.00 0.00 0.00 0.00 60.65 60.18 2h1b s ILE 55 Cb -0.25 -1.83 -0.02 0.00 0.01 0.00 0.00 42.46 40.38 2h1b s ILE 55 CO 0.19 0.32 -0.04 -0.70 0.00 0.00 0.00 174.94 174.71 2h1b s GLU 56 N 1.32 3.47 0.23 2.79 2.12 -1.26 -1.67 118.70 125.70 2h1b s GLU 56 Ca 0.01 -0.60 -0.06 0.00 0.36 0.00 0.00 54.97 54.68 2h1b s GLU 56 Cb -0.15 -2.97 0.40 0.00 0.26 0.00 0.00 34.13 31.67 2h1b s GLU 56 CO -0.10 -0.05 1.73 1.25 -0.54 0.00 0.00 175.26 177.56 2h1b h LEU 57 N 7.64 0.25 -2.31 2.70 5.85 -1.63 -0.71 115.31 127.09 2h1b h LEU 57 Ca -0.37 0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.45 2h1b h LEU 57 Cb 1.18 0.08 -0.00 0.00 0.37 0.00 0.00 40.66 42.29 2h1b h LEU 57 CO 0.60 0.11 0.01 0.77 -0.34 0.00 0.00 178.44 179.59 2h1b h SER 58 N 0.43 0.00 0.66 1.25 4.64 -1.95 0.25 113.55 118.83 2h1b h SER 58 Ca 0.38 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.70 2h1b h SER 58 Cb 0.55 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.64 2h1b h SER 58 CO -0.38 0.00 0.00 0.44 -0.87 0.00 0.00 176.83 176.02 2h1b h ASP 59 N 0.00 0.00 -0.02 4.97 3.32 -1.52 -2.43 116.42 120.74 2h1b h ASP 59 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2h1b h ASP 59 Cb 0.02 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.57 2h1b h ASP 59 CO -0.00 0.00 0.00 0.18 -1.72 0.00 0.00 179.24 177.70 2h1b n LEU 60 N -2.68 1.18 -4.56 1.55 4.77 0.08 -4.91 117.00 112.43 2h1b n LEU 60 Ca 0.00 -0.40 -0.40 0.00 -0.03 0.00 0.00 56.01 55.18 2h1b n LEU 60 Cb 0.21 -0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.32 2h1b n LEU 60 CO 0.21 0.20 0.39 0.29 -1.33 0.00 0.00 177.39 177.15 2h1b n LYS 61 N -0.07 0.98 0.00 3.23 5.02 -0.92 -1.33 118.16 125.06 2h1b n LYS 61 Ca 0.20 0.36 0.00 0.00 -2.02 0.00 0.00 58.31 56.85 2h1b n LYS 61 Cb 0.30 -1.90 0.00 0.00 -0.02 0.00 0.00 35.03 33.41 2h1b n LYS 61 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2h1b n GLY 62 N 1.42 2.88 3.28 0.72 0.00 0.20 -5.04 105.19 108.66 2h1b n GLY 62 Ca 0.11 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.92 2h1b n GLY 62 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2h1b s LYS 63 N -0.78 1.13 0.48 1.61 1.02 -0.45 -4.77 119.74 117.98 2h1b s LYS 63 Ca 0.00 -1.25 -0.23 0.00 0.02 0.00 0.00 55.97 54.51 2h1b s LYS 63 Cb 0.00 -1.20 -0.07 0.00 -0.52 0.00 0.00 37.83 36.04 2h1b s LYS 63 CO 0.00 0.25 1.20 0.20 -0.92 0.00 0.00 175.35 176.09 2h1b s GLY 64 N -2.30 2.80 -0.16 -3.33 0.00 0.21 -3.75 107.32 100.78 2h1b s GLY 64 Ca 0.10 1.01 0.00 0.00 0.00 0.00 0.00 44.72 45.82 2h1b s GLY 64 CO 0.05 1.47 -0.10 0.14 0.00 0.00 0.00 173.10 174.66 2h1b s VAL 65 N -1.50 1.41 -0.77 1.40 1.01 -0.18 0.18 120.40 121.95 2h1b s VAL 65 Ca 0.65 -0.70 -0.20 0.00 0.00 0.00 0.00 61.98 61.73 2h1b s VAL 65 Cb -0.31 -1.45 0.11 0.00 0.00 0.00 0.00 36.38 34.73 2h1b s VAL 65 CO 0.37 0.28 0.98 0.12 0.00 0.00 0.00 175.10 176.85 2h1b s PHE 66 N 1.52 2.96 -0.58 5.22 2.19 0.33 -1.45 117.98 128.17 2h1b s PHE 66 Ca 0.02 -1.03 -0.18 0.00 0.33 0.00 0.00 56.93 56.07 2h1b s PHE 66 Cb -0.14 -4.22 0.11 0.00 -1.31 0.00 0.00 43.02 37.45 2h1b s PHE 66 CO -0.09 -1.50 0.65 -1.17 1.83 0.00 0.00 175.22 174.95 2h1b s LEU 67 N 3.10 5.57 -0.31 6.12 2.96 -0.16 -1.89 118.68 134.07 2h1b s LEU 67 Ca 0.24 -1.51 -0.05 0.00 -0.22 0.00 0.00 54.13 52.60 2h1b s LEU 67 Cb -0.13 -2.28 0.03 0.00 0.50 0.00 0.00 46.19 44.31 2h1b s LEU 67 CO 0.00 -1.05 0.05 0.21 -1.32 0.00 0.00 176.35 174.25 2h1b s ASN 68 N 3.60 5.04 -0.05 3.68 3.04 -0.43 -0.50 114.94 129.32 2h1b s ASN 68 Ca 0.09 -1.03 -0.23 0.00 0.04 0.00 0.00 52.86 51.73 2h1b s ASN 68 Cb -0.25 -1.81 -0.04 0.00 -1.54 0.00 0.00 41.25 37.61 2h1b s ASN 68 CO 0.06 -0.25 0.68 -0.36 -3.04 0.00 0.00 177.10 174.18 2h1b s PHE 69 N 1.38 3.60 0.13 0.43 0.40 0.76 0.05 117.98 124.73 2h1b s PHE 69 Ca -0.01 1.24 -0.13 0.00 -0.60 0.00 0.00 56.93 57.43 2h1b s PHE 69 Cb -0.19 -2.76 0.02 0.00 0.51 0.00 0.00 43.02 40.60 2h1b s PHE 69 CO 0.01 0.15 0.33 1.67 0.70 0.00 0.00 175.22 178.08 2h1b s TRP 70 N 0.56 0.00 0.04 0.36 1.48 -0.41 -2.52 118.94 118.46 2h1b s TRP 70 Ca 0.36 -0.36 0.00 0.00 -1.06 0.00 0.00 56.10 55.04 2h1b s TRP 70 Cb -0.18 0.13 -0.03 0.00 -1.16 0.00 0.00 33.47 32.23 2h1b s TRP 70 CO 0.18 -0.67 -0.04 0.20 -4.06 0.00 0.00 176.95 172.55 2h1b s GLY 71 N -2.85 0.42 0.65 3.67 0.00 -1.26 -1.18 107.32 106.77 2h1b s GLY 71 Ca 0.06 -0.90 0.43 0.00 0.00 0.00 0.00 44.72 44.31 2h1b s GLY 71 CO -0.09 -0.98 2.33 -0.91 0.00 0.00 0.00 173.10 173.45 2h1b h THR 72 N 3.97 0.02 -0.01 0.90 1.35 -1.94 -2.09 112.91 115.11 2h1b h THR 72 Ca -0.34 -0.06 0.00 0.00 -0.55 0.00 0.00 66.41 65.47 2h1b h THR 72 Cb 1.18 1.05 0.00 0.00 -1.73 0.00 0.00 68.15 68.66 2h1b h THR 72 CO 0.51 0.00 -0.17 -2.67 -0.25 0.00 0.00 175.52 172.95 2h1b n TRP 73 N -3.11 0.00 -2.96 4.73 4.27 -1.26 -4.80 117.44 114.31 2h1b n TRP 73 Ca -0.03 0.00 -0.43 0.00 -3.89 0.00 0.00 57.50 53.15 2h1b n TRP 73 Cb 0.10 -0.13 -0.05 0.00 -1.36 0.00 0.00 31.31 29.87 2h1b n TRP 73 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 2h1b h GLU 75 N 9.31 0.11 -0.74 0.00 4.57 -1.88 -0.82 114.58 125.12 2h1b h GLU 75 Ca -0.28 -0.01 0.17 0.00 -1.18 0.00 0.00 59.36 58.06 2h1b h GLU 75 Cb 1.08 -0.02 -0.05 0.00 -0.16 0.00 0.00 28.75 29.60 2h1b h GLU 75 CO 1.09 0.07 0.51 -1.35 -1.18 0.00 0.00 179.01 178.15 2h1b h PRO 76 N 0.11 0.29 0.00 0.92 0.11 -1.95 -1.45 132.00 130.03 2h1b h PRO 76 Ca 0.35 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 66.44 2h1b h PRO 76 Cb 0.58 -0.07 -0.00 0.00 0.11 0.00 0.00 31.00 31.63 2h1b h PRO 76 CO -0.58 0.19 -0.04 0.00 -0.21 0.00 0.00 178.00 177.37 2h1b h LYS 78 N 0.00 0.19 0.01 0.00 1.57 -1.37 -0.76 116.57 116.22 2h1b h LYS 78 Ca -0.00 -0.04 -0.35 0.00 -1.87 0.00 0.00 60.65 58.39 2h1b h LYS 78 Cb 0.08 -0.03 -0.06 0.00 0.08 0.00 0.00 32.23 32.31 2h1b h LYS 78 CO 0.00 0.31 -2.20 1.63 -0.57 0.00 0.00 179.45 178.62 2h1b n LYS 79 N -4.31 0.68 -0.06 3.15 5.02 -0.71 -4.42 118.16 117.50 2h1b n LYS 79 Ca -0.01 0.12 -0.09 0.00 -2.02 0.00 0.00 58.31 56.31 2h1b n LYS 79 Cb 0.24 -1.61 0.06 0.00 -0.02 0.00 0.00 35.03 33.70 2h1b n LYS 79 CO 0.00 0.00 0.00 1.96 -0.52 0.00 0.00 177.40 178.84 2h1b h GLN 80 N 0.01 0.72 -0.06 1.97 4.20 -1.02 -3.20 115.11 117.73 2h1b h GLN 80 Ca -0.48 -0.36 0.01 0.00 0.06 0.00 0.00 58.65 57.88 2h1b h GLN 80 Cb 2.10 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 29.88 2h1b h GLN 80 CO 0.03 0.97 -0.02 0.74 -0.67 0.00 0.00 178.83 179.88 2h1b h PHE 81 N 0.59 -0.05 -0.25 2.96 -1.00 -1.34 0.73 116.94 118.58 2h1b h PHE 81 Ca 0.05 0.01 -0.03 0.00 2.81 0.00 0.00 57.97 60.81 2h1b h PHE 81 Cb 0.91 0.03 -0.01 0.00 3.61 0.00 0.00 35.95 40.49 2h1b h PHE 81 CO 0.05 -0.04 0.01 -1.35 -1.61 0.00 0.00 178.31 175.37 2h1b h PRO 82 N -0.02 0.37 -0.35 1.51 0.11 -1.63 0.99 132.00 132.99 2h1b h PRO 82 Ca 0.03 -0.06 -0.02 0.00 0.11 0.00 0.00 66.00 66.06 2h1b h PRO 82 Cb 0.06 -0.06 -0.02 0.00 0.11 0.00 0.00 31.00 31.09 2h1b h PRO 82 CO -0.07 0.39 0.14 1.88 -0.21 0.00 0.00 178.00 180.13 2h1b h TYR 83 N 0.37 0.53 -0.49 0.65 0.05 -1.43 -1.42 116.97 115.23 2h1b h TYR 83 Ca 0.08 -0.04 0.01 0.00 0.05 0.00 0.00 58.73 58.83 2h1b h TYR 83 Cb 0.23 -0.16 -0.03 0.00 1.01 0.00 0.00 36.73 37.78 2h1b h TYR 83 CO 0.01 0.49 0.32 0.52 -1.05 0.00 0.00 178.16 178.44 2h1b h MET 84 N 0.42 0.63 -0.54 4.88 2.86 -0.49 -0.38 114.93 122.30 2h1b h MET 84 Ca 0.12 -0.04 0.01 0.00 -2.06 0.00 0.00 59.70 57.73 2h1b h MET 84 Cb 0.18 -0.14 -0.03 0.00 0.06 0.00 0.00 31.60 31.67 2h1b h MET 84 CO -0.01 0.42 0.35 0.00 1.06 0.00 0.00 176.91 178.72 2h1b h ALA 85 N 1.18 0.69 -0.30 6.32 0.00 -0.67 0.12 119.26 126.60 2h1b h ALA 85 Ca 0.18 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 55.03 2h1b h ALA 85 Cb -0.06 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 2h1b h ALA 85 CO -0.05 0.09 0.05 -0.97 0.00 0.00 0.00 179.25 178.37 2h1b h ASN 86 N 0.70 0.48 -0.85 0.00 -1.24 -1.00 -2.85 115.58 110.82 2h1b h ASN 86 Ca 0.21 -0.26 -0.00 0.00 0.71 0.00 0.00 56.30 56.95 2h1b h ASN 86 Cb -0.04 -0.13 -0.04 0.00 0.73 0.00 0.00 38.32 38.85 2h1b h ASN 86 CO -0.07 0.62 0.51 1.56 -1.29 0.00 0.00 177.43 178.76 2h1b h GLN 87 N 0.32 1.15 -0.50 6.67 1.08 -0.99 -2.72 115.11 120.13 2h1b h GLN 87 Ca 0.09 -0.10 0.07 0.00 -1.45 0.00 0.00 58.65 57.25 2h1b h GLN 87 Cb 0.34 -0.24 -0.03 0.00 -0.05 0.00 0.00 27.48 27.50 2h1b h GLN 87 CO 0.01 0.81 0.33 -0.92 -0.95 0.00 0.00 178.83 178.11 2h1b h TYR 88 N 1.17 0.40 -0.83 2.96 3.20 -0.89 0.64 116.97 123.63 2h1b h TYR 88 Ca 0.31 0.01 0.17 0.00 3.14 0.00 0.00 58.73 62.35 2h1b h TYR 88 Cb -0.05 -0.13 -0.06 0.00 1.54 0.00 0.00 36.73 38.03 2h1b h TYR 88 CO -0.00 0.21 0.55 0.87 -1.64 0.00 0.00 178.16 178.15 2h1b h LYS 89 N 0.40 0.46 0.05 1.82 1.57 -1.24 -0.32 116.57 119.30 2h1b h LYS 89 Ca 0.22 -0.03 -0.20 0.00 -1.87 0.00 0.00 60.65 58.77 2h1b h LYS 89 Cb 0.36 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.55 2h1b h LYS 89 CO -0.06 0.30 -1.05 1.25 -0.57 0.00 0.00 179.45 179.33 2h1b h HIS 90 N 0.47 0.19 0.00 -1.35 2.76 -1.10 -3.42 115.15 112.71 2h1b h HIS 90 Ca 0.42 -0.14 -0.12 0.00 -2.20 0.00 0.00 60.37 58.33 2h1b h HIS 90 Cb 0.93 -0.01 -0.02 0.00 1.55 0.00 0.00 27.41 29.86 2h1b h HIS 90 CO -0.00 1.41 -0.56 0.74 -1.30 0.00 0.00 177.93 178.21 2h1b h PHE 91 N -0.70 0.00 -0.67 5.26 0.04 -0.70 -3.31 116.94 116.87 2h1b h PHE 91 Ca -0.25 0.00 0.09 0.00 2.80 0.00 0.00 57.97 60.61 2h1b h PHE 91 Cb 1.44 0.00 -0.07 0.00 2.20 0.00 0.00 35.95 39.52 2h1b h PHE 91 CO 0.15 0.56 0.31 -0.22 -0.60 0.00 0.00 178.31 178.51 2h1b h LYS 92 N 0.00 0.52 -0.00 1.51 3.64 -1.16 0.12 116.57 121.20 2h1b h LYS 92 Ca -0.01 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 2h1b h LYS 92 Cb 1.42 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 33.12 2h1b h LYS 92 CO 0.07 0.35 -0.01 -1.13 -2.27 0.00 0.00 179.45 176.46 2h1b n SER 93 N -4.90 0.02 -1.24 4.20 3.41 -1.25 -2.60 113.62 111.26 2h1b n SER 93 Ca 0.10 -0.12 0.09 0.00 -0.26 0.00 0.00 58.87 58.69 2h1b n SER 93 Cb 0.26 -0.29 0.29 0.00 -0.26 0.00 0.00 64.21 64.21 2h1b n SER 93 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2h1b n GLN 94 N -1.29 2.76 -2.22 4.33 1.13 0.38 -4.96 117.38 117.51 2h1b n GLN 94 Ca 0.14 -2.32 -0.05 0.00 -1.94 0.00 0.00 57.00 52.82 2h1b n GLN 94 Cb 0.25 -1.60 0.00 0.00 0.11 0.00 0.00 30.24 29.01 2h1b n GLN 94 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2h1b n GLY 95 N 1.34 0.23 3.24 1.08 0.00 -1.04 -4.24 105.19 105.79 2h1b n GLY 95 Ca 0.21 -0.63 -0.34 0.00 0.00 0.00 0.00 46.02 45.27 2h1b n GLY 95 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2h1b s VAL 96 N -2.41 2.71 0.07 1.61 1.01 -1.03 -0.62 120.40 121.75 2h1b s VAL 96 Ca 0.03 -0.73 -0.00 0.00 0.00 0.00 0.00 61.98 61.27 2h1b s VAL 96 Cb -0.01 -2.17 -0.04 0.00 0.00 0.00 0.00 36.38 34.16 2h1b s VAL 96 CO 0.03 0.50 0.22 -0.70 0.00 0.00 0.00 175.10 175.15 2h1b s GLU 97 N 1.10 3.45 -0.13 2.72 2.56 0.13 -3.82 118.70 124.70 2h1b s GLU 97 Ca 0.00 -0.44 -0.03 0.00 0.00 0.00 0.00 54.97 54.51 2h1b s GLU 97 Cb -0.14 -3.03 -0.03 0.00 2.00 0.00 0.00 34.13 32.93 2h1b s GLU 97 CO -0.04 0.60 -0.03 0.42 -0.56 0.00 0.00 175.26 175.65 2h1b s ILE 98 N -1.54 3.99 -0.26 -3.70 1.01 -1.26 -0.52 121.20 118.93 2h1b s ILE 98 Ca 0.35 -0.34 0.02 0.00 0.00 0.00 0.00 60.65 60.69 2h1b s ILE 98 Cb -0.13 -2.72 0.06 0.00 0.01 0.00 0.00 42.46 39.68 2h1b s ILE 98 CO 0.28 0.53 -0.07 -0.69 0.00 0.00 0.00 174.94 174.98 2h1b s VAL 99 N -0.02 1.92 -0.54 2.92 1.01 -0.79 -3.94 120.40 120.95 2h1b s VAL 99 Ca 0.01 -1.55 -0.18 0.00 0.00 0.00 0.00 61.98 60.27 2h1b s VAL 99 Cb -0.13 -2.13 0.09 0.00 0.00 0.00 0.00 36.38 34.21 2h1b s VAL 99 CO 0.02 -0.12 0.62 0.00 0.00 0.00 0.00 175.10 175.62 2h1b s ALA 100 N 1.20 3.44 -0.52 5.51 0.00 -0.51 -1.31 121.76 129.58 2h1b s ALA 100 Ca -0.06 -2.09 -0.26 0.00 0.00 0.00 0.00 51.96 49.56 2h1b s ALA 100 Cb -0.19 -3.39 0.03 0.00 0.00 0.00 0.00 23.12 19.57 2h1b s ALA 100 CO -0.06 -2.13 0.99 0.08 0.00 0.00 0.00 175.76 174.64 2h1b s VAL 101 N 2.44 4.34 0.12 0.00 1.01 0.11 -1.64 120.40 126.78 2h1b s VAL 101 Ca 0.11 0.61 -0.30 0.00 0.00 0.00 0.00 61.98 62.39 2h1b s VAL 101 Cb -0.23 -4.54 -0.06 0.00 0.00 0.00 0.00 36.38 31.55 2h1b s VAL 101 CO 0.08 -1.05 1.02 0.21 0.00 0.00 0.00 175.10 175.35 2h1b s ASN 102 N 2.64 7.40 -0.81 3.32 3.84 0.18 -1.29 114.94 130.22 2h1b s ASN 102 Ca 0.36 1.88 -0.17 0.00 0.21 0.00 0.00 52.86 55.14 2h1b s ASN 102 Cb -0.10 -2.59 0.15 0.00 -0.55 0.00 0.00 41.25 38.16 2h1b s ASN 102 CO 0.24 -0.15 0.91 -0.69 -2.79 0.00 0.00 177.10 174.62 2h1b s VAL 103 N 0.07 5.03 0.00 -5.21 1.01 -0.32 -1.22 120.40 119.76 2h1b s VAL 103 Ca 0.49 -1.72 0.00 0.00 0.00 0.00 0.00 61.98 60.75 2h1b s VAL 103 Cb -0.25 -4.61 0.00 0.00 0.00 0.00 0.00 36.38 31.52 2h1b s VAL 103 CO 0.31 -1.26 0.00 0.61 0.00 0.00 0.00 175.10 174.76 2h1b n GLY 104 N 4.94 0.92 3.92 4.51 0.00 -0.80 -4.91 105.19 113.77 2h1b n GLY 104 Ca 0.12 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.88 2h1b n GLY 104 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2h1b s GLU 105 N -0.03 3.54 0.63 1.61 2.02 -1.26 -4.90 118.70 120.30 2h1b s GLU 105 Ca 0.00 -0.02 -0.16 0.00 0.02 0.00 0.00 54.97 54.81 2h1b s GLU 105 Cb 0.00 -2.52 -0.01 0.00 0.10 0.00 0.00 34.13 31.70 2h1b s GLU 105 CO 0.00 -0.02 1.10 -1.54 0.02 0.00 0.00 175.26 174.82 2h1b s SER 106 N -3.96 5.34 0.31 -0.19 1.04 -1.26 -4.86 113.70 110.12 2h1b s SER 106 Ca 0.44 1.96 0.02 0.00 0.48 0.00 0.00 55.95 58.85 2h1b s SER 106 Cb -0.10 -2.55 0.58 0.00 0.10 0.00 0.00 66.02 64.05 2h1b s SER 106 CO 0.40 -1.47 1.92 0.11 0.98 0.00 0.00 173.24 175.17 2h1b h LYS 107 N 0.23 0.94 -0.52 4.02 1.57 -1.99 -1.72 116.57 119.11 2h1b h LYS 107 Ca -0.47 -0.06 -0.06 0.00 -1.87 0.00 0.00 60.65 58.20 2h1b h LYS 107 Cb 1.24 -0.21 -0.02 0.00 0.08 0.00 0.00 32.23 33.32 2h1b h LYS 107 CO 0.55 0.62 0.10 0.97 -0.57 0.00 0.00 179.45 181.12 2h1b h ILE 108 N 0.97 1.25 -0.56 1.86 2.10 -1.99 0.15 117.51 121.29 2h1b h ILE 108 Ca 0.38 -0.92 -0.11 0.00 1.08 0.00 0.00 64.86 65.29 2h1b h ILE 108 Cb 0.22 0.85 -0.02 0.00 -1.09 0.00 0.00 36.82 36.78 2h1b h ILE 108 CO -0.14 0.33 -0.08 0.00 -1.08 0.00 0.00 178.15 177.18 2h1b h ALA 109 N 0.98 0.76 -0.14 0.18 0.00 -1.86 -1.80 119.26 117.39 2h1b h ALA 109 Ca 0.16 -0.34 -0.05 0.00 0.00 0.00 0.00 54.91 54.68 2h1b h ALA 109 Cb 0.38 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.97 2h1b h ALA 109 CO 0.01 0.66 -0.10 0.28 0.00 0.00 0.00 179.25 180.10 2h1b h VAL 110 N 0.92 1.33 -0.88 0.00 2.07 -1.15 -1.71 116.25 116.84 2h1b h VAL 110 Ca 0.15 -1.20 0.02 0.00 0.82 0.00 0.00 66.70 66.49 2h1b h VAL 110 Cb 0.65 1.83 -0.05 0.00 -1.52 0.00 0.00 31.29 32.20 2h1b h VAL 110 CO 0.04 0.35 0.57 -0.74 0.02 0.00 0.00 177.57 177.82 2h1b h HIS 111 N -0.05 1.08 -0.75 1.57 6.17 -0.69 -0.75 115.15 121.72 2h1b h HIS 111 Ca 0.03 0.03 -0.00 0.00 0.71 0.00 0.00 60.37 61.13 2h1b h HIS 111 Cb 0.60 -0.36 -0.04 0.00 2.52 0.00 0.00 27.41 30.13 2h1b h HIS 111 CO 0.08 0.64 0.45 -0.97 0.71 0.00 0.00 177.93 178.84 2h1b h ASN 112 N 1.13 0.91 -0.61 3.26 -1.24 -1.16 -1.14 115.58 116.73 2h1b h ASN 112 Ca 0.34 -0.06 -0.02 0.00 0.71 0.00 0.00 56.30 57.26 2h1b h ASN 112 Cb -0.05 -0.23 -0.03 0.00 0.73 0.00 0.00 38.32 38.74 2h1b h ASN 112 CO -0.10 0.70 0.30 0.15 -1.29 0.00 0.00 177.43 177.20 2h1b h PHE 113 N 1.03 0.88 -0.65 0.67 3.04 -0.87 -1.83 116.94 119.21 2h1b h PHE 113 Ca 0.27 -0.04 -0.02 0.00 3.98 0.00 0.00 57.97 62.16 2h1b h PHE 113 Cb -0.03 -0.27 -0.03 0.00 2.56 0.00 0.00 35.95 38.17 2h1b h PHE 113 CO -0.01 0.66 0.34 0.52 -2.02 0.00 0.00 178.31 177.81 2h1b h MET 114 N 0.84 0.91 -0.90 1.11 2.86 -0.71 -1.18 114.93 117.86 2h1b h MET 114 Ca 0.21 -0.12 -0.01 0.00 -2.06 0.00 0.00 59.70 57.73 2h1b h MET 114 Cb 0.11 -0.17 -0.04 0.00 0.06 0.00 0.00 31.60 31.55 2h1b h MET 114 CO -0.03 0.70 0.53 0.87 1.06 0.00 0.00 176.91 180.05 2h1b h LYS 115 N 0.89 1.23 -0.47 1.72 1.57 -1.14 -2.05 116.57 118.31 2h1b h LYS 115 Ca 0.23 -0.12 -0.09 0.00 -1.87 0.00 0.00 60.65 58.80 2h1b h LYS 115 Cb 0.07 -0.25 -0.02 0.00 0.08 0.00 0.00 32.23 32.10 2h1b h LYS 115 CO -0.03 0.87 -0.07 0.77 -0.57 0.00 0.00 179.45 180.41 2h1b h SER 116 N 1.24 0.80 -0.18 0.86 0.02 -0.81 -3.30 113.55 112.18 2h1b h SER 116 Ca 0.32 -0.23 0.00 0.00 -0.84 0.00 0.00 61.79 61.04 2h1b h SER 116 Cb -0.03 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 62.29 2h1b h SER 116 CO -0.06 0.91 0.00 -1.22 -1.14 0.00 0.00 176.83 175.32 2h1b n TYR 117 N -4.18 0.62 -2.42 3.45 4.01 -0.49 -4.99 117.16 113.16 2h1b n TYR 117 Ca 0.02 -0.88 -0.12 0.00 -0.16 0.00 0.00 57.90 56.75 2h1b n TYR 117 Cb 0.35 -0.25 0.01 0.00 -0.31 0.00 0.00 39.34 39.14 2h1b n TYR 117 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2h1b n GLY 118 N -0.73 -0.08 3.70 2.72 0.00 -0.94 -3.42 105.19 106.44 2h1b n GLY 118 Ca 0.19 -0.33 -0.42 0.00 0.00 0.00 0.00 46.02 45.46 2h1b n GLY 118 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2h1b s VAL 119 N -2.72 3.12 -0.06 1.61 1.01 -0.82 -4.81 120.40 117.73 2h1b s VAL 119 Ca 0.07 0.66 0.08 0.00 0.00 0.00 0.00 61.98 62.80 2h1b s VAL 119 Cb -0.03 -3.43 0.13 0.00 0.00 0.00 0.00 36.38 33.05 2h1b s VAL 119 CO 0.09 0.02 1.01 -0.46 0.00 0.00 0.00 175.10 175.75 2h1b n ASN 120 N 4.95 1.47 -4.38 3.32 0.23 -1.26 -4.94 115.26 114.65 2h1b n ASN 120 Ca 0.14 -2.35 -0.23 0.00 -0.53 0.00 0.00 54.58 51.61 2h1b n ASN 120 Cb 0.41 -0.23 -0.11 0.00 -2.08 0.00 0.00 39.78 37.77 2h1b n ASN 120 CO 0.00 0.00 0.00 0.72 -0.93 0.00 0.00 177.26 177.05 2h1b s PHE 121 N -1.47 2.01 0.15 -2.53 -0.12 -1.26 -5.06 117.98 109.70 2h1b s PHE 121 Ca 0.14 -0.43 -0.34 0.00 -0.05 0.00 0.00 56.93 56.25 2h1b s PHE 121 Cb 0.12 -0.96 -0.14 0.00 -0.63 0.00 0.00 43.02 41.41 2h1b s PHE 121 CO 0.01 0.45 1.55 -2.30 -0.05 0.00 0.00 175.22 174.89 2h1b n PRO 122 N 0.01 2.05 -4.67 1.99 -0.02 -1.25 -4.93 135.00 128.18 2h1b n PRO 122 Ca -0.11 0.74 -0.30 0.00 -2.02 0.00 0.00 63.50 61.81 2h1b n PRO 122 Cb 0.58 -2.49 -0.17 0.00 -0.02 0.00 0.00 33.50 31.40 2h1b n PRO 122 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2h1b s VAL 123 N 0.88 1.73 0.22 -1.45 1.01 -1.26 -1.42 120.40 120.11 2h1b s VAL 123 Ca 0.79 -0.79 0.10 0.00 0.00 0.00 0.00 61.98 62.08 2h1b s VAL 123 Cb -0.71 -1.54 -0.04 0.00 0.00 0.00 0.00 36.38 34.08 2h1b s VAL 123 CO 0.39 0.49 -0.14 0.68 0.00 0.00 0.00 175.10 176.52 2h1b s VAL 124 N 0.79 2.88 -0.37 2.92 -7.23 -0.65 -1.86 120.40 116.88 2h1b s VAL 124 Ca -0.10 -1.95 -0.07 0.00 -1.81 0.00 0.00 61.98 58.05 2h1b s VAL 124 Cb -0.16 -2.46 0.05 0.00 0.56 0.00 0.00 36.38 34.38 2h1b s VAL 124 CO 0.01 -0.22 0.16 -0.76 -0.31 0.00 0.00 175.10 173.98 2h1b s LEU 125 N -3.08 4.61 -1.30 1.32 2.01 -0.57 -0.65 118.68 121.03 2h1b s LEU 125 Ca 0.26 -1.26 -0.11 0.00 0.01 0.00 0.00 54.13 53.04 2h1b s LEU 125 Cb -0.07 -1.91 0.14 0.00 0.01 0.00 0.00 46.19 44.36 2h1b s LEU 125 CO 0.15 -0.40 1.90 -0.67 1.01 0.00 0.00 176.35 178.34 2h1b n ASP 126 N 4.85 4.90 0.05 2.29 2.03 -0.36 -4.61 116.55 125.69 2h1b n ASP 126 Ca -0.11 -3.05 0.04 0.00 0.52 0.00 0.00 54.79 52.18 2h1b n ASP 126 Cb 0.44 -1.52 0.43 0.00 -0.72 0.00 0.00 41.12 39.75 2h1b n ASP 126 CO 0.00 0.00 0.00 0.71 -1.92 0.00 0.00 177.20 175.99 2h1b h THR 127 N 3.89 1.11 -0.08 5.18 1.35 -1.91 -2.07 112.91 120.39 2h1b h THR 127 Ca 0.42 -0.33 -0.01 0.00 -0.55 0.00 0.00 66.41 65.94 2h1b h THR 127 Cb 0.66 0.72 -0.01 0.00 -1.73 0.00 0.00 68.15 67.79 2h1b h THR 127 CO 1.63 0.13 -0.05 -0.90 -0.25 0.00 0.00 175.52 176.08 2h1b n ASP 128 N -4.43 2.68 -0.27 5.36 5.75 -1.26 -4.46 116.55 119.91 2h1b n ASP 128 Ca 0.02 -3.19 -0.04 0.00 -0.01 0.00 0.00 54.79 51.57 2h1b n ASP 128 Cb 0.12 -0.48 -0.02 0.00 -1.03 0.00 0.00 41.12 39.71 2h1b n ASP 128 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 2h1b n ARG 129 N -1.16 -1.45 -0.16 0.11 1.74 -1.05 -4.89 116.66 109.80 2h1b n ARG 129 Ca 0.19 0.54 -0.08 0.00 -0.77 0.00 0.00 57.85 57.72 2h1b n ARG 129 Cb 0.73 -4.70 0.01 0.00 -1.02 0.00 0.00 32.46 27.48 2h1b n ARG 129 CO 0.00 0.00 0.00 1.96 -1.52 0.00 0.00 177.63 178.07 2h1b h GLN 130 N 0.18 0.65 -0.19 5.56 4.20 -1.94 -0.89 115.11 122.68 2h1b h GLN 130 Ca -0.07 -0.07 -0.20 0.00 0.06 0.00 0.00 58.65 58.36 2h1b h GLN 130 Cb 0.83 -0.13 0.00 0.00 0.30 0.00 0.00 27.48 28.49 2h1b h GLN 130 CO 0.11 0.49 -0.69 0.28 -0.67 0.00 0.00 178.83 178.35 2h1b h VAL 131 N 0.62 1.29 -0.61 -0.54 2.07 -1.92 -0.86 116.25 116.30 2h1b h VAL 131 Ca 0.17 -1.91 0.08 0.00 0.82 0.00 0.00 66.70 65.86 2h1b h VAL 131 Cb 0.02 1.88 -0.07 0.00 -1.52 0.00 0.00 31.29 31.61 2h1b h VAL 131 CO -0.03 0.61 0.27 0.25 0.02 0.00 0.00 177.57 178.68 2h1b h LEU 132 N 0.54 0.32 -0.47 2.57 5.85 -1.91 -1.38 115.31 120.83 2h1b h LEU 132 Ca -0.03 0.06 -0.12 0.00 0.84 0.00 0.00 57.88 58.63 2h1b h LEU 132 Cb 1.31 0.02 -0.01 0.00 0.37 0.00 0.00 40.66 42.34 2h1b h LEU 132 CO 0.14 0.19 -0.19 0.44 -0.34 0.00 0.00 178.44 178.68 2h1b h ASP 133 N 0.48 0.99 -0.08 1.25 3.32 -1.01 -1.81 116.42 119.55 2h1b h ASP 133 Ca 0.30 -0.39 -0.02 0.00 0.02 0.00 0.00 57.03 56.94 2h1b h ASP 133 Cb 0.32 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.59 2h1b h ASP 133 CO -0.27 1.16 0.01 0.00 -1.72 0.00 0.00 179.24 178.42 2h1b h ALA 134 N 0.86 1.73 -0.07 3.45 0.00 -0.65 -0.73 119.26 123.85 2h1b h ALA 134 Ca 0.11 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.93 2h1b h ALA 134 Cb 0.77 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.48 2h1b h ALA 134 CO 0.06 0.21 0.00 0.66 0.00 0.00 0.00 179.25 180.18 2h1b n TYR 135 N -4.41 0.08 -4.06 0.00 4.02 -0.57 -4.90 117.16 107.32 2h1b n TYR 135 Ca -0.01 -0.04 -0.33 0.00 -0.01 0.00 0.00 57.90 57.51 2h1b n TYR 135 Cb 0.16 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.48 2h1b n TYR 135 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 176.86 172.38 2h1b n ASP 136 N 0.27 -4.11 -4.74 7.72 2.03 -0.28 -4.90 116.55 112.55 2h1b n ASP 136 Ca 0.18 -0.89 -0.41 0.00 0.52 0.00 0.00 54.79 54.19 2h1b n ASP 136 Cb 0.36 -3.35 -0.04 0.00 -0.72 0.00 0.00 41.12 37.37 2h1b n ASP 136 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 2h1b s VAL 137 N -3.29 3.66 0.00 5.18 1.01 -0.79 -5.00 120.40 121.18 2h1b s VAL 137 Ca 0.70 1.43 0.00 0.00 0.00 0.00 0.00 61.98 64.11 2h1b s VAL 137 Cb -0.37 -3.91 0.00 0.00 0.00 0.00 0.00 36.38 32.10 2h1b s VAL 137 CO 0.88 0.24 0.00 -0.24 0.00 0.00 0.00 175.10 175.98 2h1b n SER 138 N 2.37 0.00 -4.81 3.32 2.88 -1.26 -4.90 113.62 111.22 2h1b n SER 138 Ca 0.03 0.00 -0.33 0.00 -1.33 0.00 0.00 58.87 57.25 2h1b n SER 138 Cb 0.45 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.91 2h1b n SER 138 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 2h1b s PRO 139 N 0.00 3.44 -0.03 -1.46 0.04 -1.26 -5.06 135.00 130.68 2h1b s PRO 139 Ca 0.00 1.15 0.03 0.00 0.04 0.00 0.00 61.00 62.23 2h1b s PRO 139 Cb 0.00 -2.05 -0.03 0.00 0.04 0.00 0.00 34.50 32.46 2h1b s PRO 139 CO 0.00 -0.71 -0.12 -0.51 0.04 0.00 0.00 177.00 175.71 2h1b s LEU 140 N -4.43 2.90 0.53 -3.56 1.43 -1.26 -3.86 118.68 110.43 2h1b s LEU 140 Ca 0.63 -0.18 -0.16 0.00 -1.03 0.00 0.00 54.13 53.38 2h1b s LEU 140 Cb -0.15 -1.63 -0.07 0.00 0.03 0.00 0.00 46.19 44.37 2h1b s LEU 140 CO 0.36 0.32 1.00 -2.16 0.23 0.00 0.00 176.35 176.10 2h1b s PRO 141 N -1.00 3.84 -0.03 1.29 0.04 -1.26 -4.85 135.00 133.03 2h1b s PRO 141 Ca 0.13 0.99 0.03 0.00 0.04 0.00 0.00 61.00 62.20 2h1b s PRO 141 Cb -0.11 -2.12 0.00 0.00 0.04 0.00 0.00 34.50 32.32 2h1b s PRO 141 CO 0.03 -0.37 -0.11 0.99 0.04 0.00 0.00 177.00 177.58 2h1b s THR 142 N -2.60 0.94 -0.13 1.26 2.01 -1.05 -3.25 115.64 112.82 2h1b s THR 142 Ca 0.60 -0.44 0.02 0.00 0.31 0.00 0.00 61.69 62.17 2h1b s THR 142 Cb -0.11 -0.82 -0.00 0.00 0.01 0.00 0.00 72.50 71.57 2h1b s THR 142 CO 0.33 0.29 -0.19 -0.89 -0.69 0.00 0.00 174.62 173.46 2h1b s THR 143 N 0.16 2.43 -0.23 -0.82 2.01 0.16 -0.17 115.64 119.18 2h1b s THR 143 Ca -0.03 -0.87 -0.13 0.00 0.31 0.00 0.00 61.69 60.96 2h1b s THR 143 Cb -0.09 -1.98 -0.04 0.00 0.01 0.00 0.00 72.50 70.39 2h1b s THR 143 CO 0.01 0.54 0.29 -0.36 -0.69 0.00 0.00 174.62 174.41 2h1b s PHE 144 N 0.57 3.33 -0.44 4.92 0.40 0.34 -0.76 117.98 126.35 2h1b s PHE 144 Ca -0.11 0.42 -0.20 0.00 -0.60 0.00 0.00 56.93 56.44 2h1b s PHE 144 Cb -0.16 -2.42 0.02 0.00 0.51 0.00 0.00 43.02 40.97 2h1b s PHE 144 CO 0.04 -0.01 0.63 -0.51 0.70 0.00 0.00 175.22 176.06 2h1b s LEU 145 N 1.30 4.55 -0.19 -0.37 1.43 -0.33 -0.99 118.68 124.08 2h1b s LEU 145 Ca 0.14 -0.39 -0.05 0.00 -1.03 0.00 0.00 54.13 52.80 2h1b s LEU 145 Cb -0.14 -2.69 -0.03 0.00 0.03 0.00 0.00 46.19 43.36 2h1b s LEU 145 CO 0.07 -0.77 -0.00 -0.63 0.23 0.00 0.00 176.35 175.25 2h1b s ILE 146 N 2.76 3.97 0.89 -0.59 1.01 -0.52 0.36 121.20 129.08 2h1b s ILE 146 Ca 0.21 -0.31 -0.13 0.00 0.00 0.00 0.00 60.65 60.42 2h1b s ILE 146 Cb -0.14 -2.79 0.15 0.00 0.01 0.00 0.00 42.46 39.69 2h1b s ILE 146 CO 0.18 0.44 1.24 0.54 0.00 0.00 0.00 174.94 177.35 2h1b s ASN 147 N 0.87 3.67 0.24 3.58 2.20 0.28 -1.01 114.94 124.77 2h1b s ASN 147 Ca 0.01 0.37 0.18 0.00 -0.94 0.00 0.00 52.86 52.48 2h1b s ASN 147 Cb -0.14 -0.59 0.92 0.00 -2.00 0.00 0.00 41.25 39.44 2h1b s ASN 147 CO 0.02 -2.39 1.55 -2.65 -2.94 0.00 0.00 177.10 170.70 2h1b n PRO 148 N -3.53 0.12 -0.00 3.55 -0.02 -1.25 -1.34 135.00 132.52 2h1b n PRO 148 Ca 0.13 0.56 0.14 0.00 -2.02 0.00 0.00 63.50 62.31 2h1b n PRO 148 Cb 0.60 -1.85 0.56 0.00 -0.02 0.00 0.00 33.50 32.79 2h1b n PRO 148 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 2h1b n GLU 149 N -2.10 1.59 -0.79 -0.52 4.71 -1.26 -0.63 120.64 121.64 2h1b n GLU 149 Ca -0.00 -0.86 0.00 0.00 -0.01 0.00 0.00 57.16 56.28 2h1b n GLU 149 Cb 0.07 -1.48 0.00 0.00 -1.01 0.00 0.00 31.44 29.02 2h1b n GLU 149 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2h1b n GLY 150 N 1.15 0.54 3.80 0.62 0.00 -0.45 -5.01 105.19 105.83 2h1b n GLY 150 Ca 0.19 -0.83 -0.36 0.00 0.00 0.00 0.00 46.02 45.03 2h1b n GLY 150 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2h1b s LYS 151 N -1.60 3.46 -0.24 1.61 -0.14 -1.26 -1.05 119.74 120.53 2h1b s LYS 151 Ca 0.00 -0.22 -0.29 0.00 -1.36 0.00 0.00 55.97 54.10 2h1b s LYS 151 Cb 0.00 -3.12 -0.01 0.00 -1.68 0.00 0.00 37.83 33.02 2h1b s LYS 151 CO 0.00 0.67 1.33 0.08 -0.76 0.00 0.00 175.35 176.67 2h1b s VAL 152 N -0.72 4.13 -0.14 3.17 1.01 0.90 -0.56 120.40 128.18 2h1b s VAL 152 Ca 0.13 1.30 0.22 0.00 0.00 0.00 0.00 61.98 63.63 2h1b s VAL 152 Cb -0.12 -4.04 -0.26 0.00 0.00 0.00 0.00 36.38 31.96 2h1b s VAL 152 CO 0.03 -0.34 0.63 1.33 0.00 0.00 0.00 175.10 176.75 2h1b n VAL 153 N 5.95 0.12 -3.59 2.92 0.24 0.16 -0.35 118.33 123.78 2h1b n VAL 153 Ca 0.15 -0.47 -0.11 0.00 -2.04 0.00 0.00 64.34 61.87 2h1b n VAL 153 Cb 0.46 -0.01 -0.06 0.00 -1.47 0.00 0.00 33.84 32.77 2h1b n VAL 153 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 2h1b s LYS 154 N -3.45 0.60 -0.09 7.34 2.20 -1.23 -3.47 119.74 121.64 2h1b s LYS 154 Ca -0.05 0.24 0.04 0.00 -0.36 0.00 0.00 55.97 55.83 2h1b s LYS 154 Cb 0.13 0.28 -0.00 0.00 -1.51 0.00 0.00 37.83 36.73 2h1b s LYS 154 CO 0.88 -0.17 -0.23 0.08 -0.36 0.00 0.00 175.35 175.56 2h1b s VAL 155 N -0.86 1.94 0.00 4.02 1.01 -1.26 -1.19 120.40 124.07 2h1b s VAL 155 Ca -0.01 -0.96 0.07 0.00 0.00 0.00 0.00 61.98 61.07 2h1b s VAL 155 Cb -0.01 -1.68 -0.02 0.00 0.00 0.00 0.00 36.38 34.67 2h1b s VAL 155 CO 0.00 0.54 -0.21 0.68 0.00 0.00 0.00 175.10 176.11 2h1b s VAL 156 N 0.27 1.66 0.15 2.92 -7.23 0.06 -4.99 120.40 113.24 2h1b s VAL 156 Ca -0.15 -0.99 0.05 0.00 -1.81 0.00 0.00 61.98 59.07 2h1b s VAL 156 Cb -0.17 -1.40 -0.04 0.00 0.56 0.00 0.00 36.38 35.33 2h1b s VAL 156 CO 0.07 0.38 -0.11 0.42 -0.31 0.00 0.00 175.10 175.56 2h1b s THR 157 N -0.59 1.24 0.00 5.32 -4.23 -1.26 -0.67 115.64 115.45 2h1b s THR 157 Ca 0.08 -2.01 0.00 0.00 -1.18 0.00 0.00 61.69 58.58 2h1b s THR 157 Cb -0.08 -1.79 0.00 0.00 1.34 0.00 0.00 72.50 71.96 2h1b s THR 157 CO 0.00 -0.68 0.00 0.61 -0.54 0.00 0.00 174.62 174.01 2h1b n GLY 158 N -0.07 0.48 3.86 3.99 0.00 -1.20 -4.92 105.19 107.33 2h1b n GLY 158 Ca -0.11 -0.88 -0.32 0.00 0.00 0.00 0.00 46.02 44.71 2h1b n GLY 158 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2h1b s THR 159 N 0.00 4.81 -0.13 2.61 -4.23 -1.26 -4.78 115.64 112.65 2h1b s THR 159 Ca 0.00 0.69 -0.19 0.00 -1.18 0.00 0.00 61.69 61.01 2h1b s THR 159 Cb 0.00 -3.63 0.05 0.00 1.34 0.00 0.00 72.50 70.26 2h1b s THR 159 CO 0.00 -0.17 0.48 0.00 -0.54 0.00 0.00 174.62 174.40 2h1b s MET 160 N -3.00 0.67 0.65 3.99 0.00 -1.26 -5.15 119.30 115.19 2h1b s MET 160 Ca 0.51 0.45 -0.01 0.00 0.00 0.00 0.00 55.69 56.63 2h1b s MET 160 Cb -0.11 0.32 0.08 0.00 0.00 0.00 0.00 34.83 35.12 2h1b s MET 160 CO 0.20 -0.13 0.91 0.95 0.00 0.00 0.00 175.02 176.95 2h1b s THR 161 N -0.27 2.39 0.25 3.16 -4.23 -1.26 -4.76 115.64 110.92 2h1b s THR 161 Ca -0.04 -0.56 -0.05 0.00 -1.18 0.00 0.00 61.69 59.86 2h1b s THR 161 Cb -0.03 -2.82 0.19 0.00 1.34 0.00 0.00 72.50 71.17 2h1b s THR 161 CO 0.03 0.00 1.84 -0.08 -0.54 0.00 0.00 174.62 175.87 2h1b h GLU 162 N -0.30 1.10 -0.62 3.99 4.81 -1.94 -1.69 114.58 119.92 2h1b h GLU 162 Ca -0.40 -0.16 -0.07 0.00 -0.13 0.00 0.00 59.36 58.59 2h1b h GLU 162 Cb 1.29 -0.20 -0.03 0.00 0.63 0.00 0.00 28.75 30.44 2h1b h GLU 162 CO 0.48 0.86 0.09 0.66 -0.73 0.00 0.00 179.01 180.37 2h1b h SER 163 N 1.09 0.97 -0.55 1.04 4.64 -1.99 0.35 113.55 119.10 2h1b h SER 163 Ca 0.26 -0.22 -0.01 0.00 -0.47 0.00 0.00 61.79 61.34 2h1b h SER 163 Cb 0.13 -0.26 -0.03 0.00 -0.31 0.00 0.00 62.40 61.94 2h1b h SER 163 CO -0.03 0.97 0.29 0.24 -0.87 0.00 0.00 176.83 177.43 2h1b h MET 164 N 0.95 0.78 -0.37 4.77 2.86 -1.87 -1.14 114.93 120.92 2h1b h MET 164 Ca 0.19 -0.10 -0.01 0.00 -2.06 0.00 0.00 59.70 57.72 2h1b h MET 164 Cb 0.42 -0.15 -0.02 0.00 0.06 0.00 0.00 31.60 31.92 2h1b h MET 164 CO 0.01 0.61 0.20 0.82 1.06 0.00 0.00 176.91 179.61 2h1b h ILE 165 N 0.74 1.15 -0.23 -1.22 2.04 -0.83 0.18 117.51 119.34 2h1b h ILE 165 Ca 0.19 -0.38 0.05 0.00 1.00 0.00 0.00 64.86 65.72 2h1b h ILE 165 Cb 0.07 0.73 -0.05 0.00 -0.74 0.00 0.00 36.82 36.83 2h1b h ILE 165 CO -0.03 0.15 -0.10 -0.74 0.00 0.00 0.00 178.15 177.43 2h1b h HIS 166 N 0.46 -0.25 -0.49 1.37 2.76 -0.72 0.44 115.15 118.73 2h1b h HIS 166 Ca 0.13 0.02 -0.01 0.00 -2.20 0.00 0.00 60.37 58.31 2h1b h HIS 166 Cb 0.07 0.15 -0.02 0.00 1.55 0.00 0.00 27.41 29.15 2h1b h HIS 166 CO -0.03 -0.16 0.27 -0.44 -1.30 0.00 0.00 177.93 176.27 2h1b h ASP 167 N -0.07 0.62 -0.59 3.26 3.32 -0.81 -1.64 116.42 120.51 2h1b h ASP 167 Ca 0.12 -0.09 0.04 0.00 0.02 0.00 0.00 57.03 57.12 2h1b h ASP 167 Cb 0.26 -0.16 -0.04 0.00 0.22 0.00 0.00 39.33 39.61 2h1b h ASP 167 CO -0.28 0.53 0.34 1.88 -1.72 0.00 0.00 179.24 179.99 2h1b h TYR 168 N 0.65 0.63 -0.34 4.55 0.05 -0.19 -2.34 116.97 119.98 2h1b h TYR 168 Ca 0.17 0.02 -0.05 0.00 0.05 0.00 0.00 58.73 58.93 2h1b h TYR 168 Cb 0.05 -0.20 -0.02 0.00 1.01 0.00 0.00 36.73 37.58 2h1b h TYR 168 CO -0.02 0.34 0.00 0.52 -1.05 0.00 0.00 178.16 177.95 2h1b h MET 169 N 0.66 0.52 -0.19 4.88 2.86 -0.66 -2.57 114.93 120.43 2h1b h MET 169 Ca 0.25 -0.11 -0.05 0.00 -2.06 0.00 0.00 59.70 57.73 2h1b h MET 169 Cb 0.08 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 31.65 2h1b h MET 169 CO -0.13 0.55 -0.11 -0.91 1.06 0.00 0.00 176.91 177.37 2h1b h ASN 170 N 0.50 0.29 0.08 1.22 2.35 -0.80 -2.46 115.58 116.76 2h1b h ASN 170 Ca 0.11 -0.06 -0.01 0.00 -0.55 0.00 0.00 56.30 55.79 2h1b h ASN 170 Cb 0.32 -0.08 -0.00 0.00 0.05 0.00 0.00 38.32 38.61 2h1b h ASN 170 CO 0.01 0.43 -0.03 -0.07 -1.65 0.00 0.00 177.43 176.12 2h1b h LEU 171 N 0.29 0.00 -2.24 1.61 3.38 -1.01 -3.15 115.31 114.19 2h1b h LEU 171 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 2h1b h LEU 171 Cb 0.37 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.12 2h1b h LEU 171 CO 0.02 0.03 0.00 2.30 0.09 0.00 0.00 178.44 180.88 2h1b n ILE 172 N -3.85 0.61 -2.61 1.22 -5.35 -0.96 -4.94 119.36 103.48 2h1b n ILE 172 Ca -0.03 -0.81 -0.37 0.00 -0.27 0.00 0.00 62.75 61.28 2h1b n ILE 172 Cb 0.12 0.71 -0.05 0.00 -1.74 0.00 0.00 39.64 38.68 2h1b n ILE 172 CO 0.00 0.00 0.00 -1.59 -1.76 0.00 0.00 176.55 173.20 2h1b s LYS 173 N -0.68 4.32 0.33 6.28 -2.85 -0.99 -3.08 119.74 123.06 2h1b s LYS 173 Ca 0.04 1.47 -0.29 0.00 -1.00 0.00 0.00 55.97 56.19 2h1b s LYS 173 Cb 0.02 -2.66 -0.10 0.00 -2.06 0.00 0.00 37.83 33.03 2h1b s LYS 173 CO 0.03 0.01 1.35 -1.25 0.10 0.00 0.00 175.35 175.59 2h1b s PRO 174 N -2.31 4.30 0.00 1.78 0.04 -1.26 -4.91 135.00 132.65 2h1b s PRO 174 Ca 0.55 2.28 0.28 0.00 0.04 0.00 0.00 61.00 64.15 2h1b s PRO 174 Cb -0.21 -3.06 1.11 0.00 0.04 0.00 0.00 34.50 32.37 2h1b s PRO 174 CO 0.27 -0.27 1.78 0.41 0.04 0.00 0.00 177.00 179.22