#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2h1b s SER 40 N 0.00 5.53 0.22 1.61 0.01 -1.26 -4.64 113.70 115.18 2h1b s SER 40 Ca 0.00 2.63 -0.31 0.00 1.31 0.00 0.00 55.95 59.58 2h1b s SER 40 Cb 0.00 -2.63 -0.11 0.00 0.21 0.00 0.00 66.02 63.50 2h1b s SER 40 CO 0.00 -1.38 1.59 -1.81 0.41 0.00 0.00 173.24 172.06 2h1b s ASP 41 N -1.07 6.49 -0.13 2.44 1.11 -1.26 -0.42 116.67 123.82 2h1b s ASP 41 Ca 0.69 2.78 -0.29 0.00 0.18 0.00 0.00 52.55 55.90 2h1b s ASP 41 Cb -0.37 -2.61 -0.02 0.00 1.07 0.00 0.00 42.92 40.99 2h1b s ASP 41 CO 0.44 -0.87 1.20 0.00 1.18 0.00 0.00 175.17 177.12 2h1b s ALA 42 N 0.67 3.59 0.16 5.23 0.00 -0.34 -4.83 121.76 126.24 2h1b s ALA 42 Ca 0.68 0.48 -0.34 0.00 0.00 0.00 0.00 51.96 52.78 2h1b s ALA 42 Cb -0.46 -3.56 -0.14 0.00 0.00 0.00 0.00 23.12 18.95 2h1b s ALA 42 CO 0.38 -0.98 1.47 -2.30 0.00 0.00 0.00 175.76 174.33 2h1b n PRO 43 N 5.97 1.86 -2.12 0.00 -0.02 -1.26 -4.94 135.00 134.49 2h1b n PRO 43 Ca 0.12 0.67 -0.36 0.00 -2.02 0.00 0.00 63.50 61.92 2h1b n PRO 43 Cb 0.46 -2.37 0.02 0.00 -0.02 0.00 0.00 33.50 31.59 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 0.63 5.43 0.05 2.55 2.47 -1.26 -4.99 114.94 119.81 2h1b s ASN 44 Ca 0.77 2.31 -0.13 0.00 0.42 0.00 0.00 52.86 56.23 2h1b s ASN 44 Cb -0.74 -2.59 0.02 0.00 -1.45 0.00 0.00 41.25 36.49 2h1b s ASN 44 CO 0.43 -1.42 0.28 0.72 -3.72 0.00 0.00 177.10 173.39 2h1b s PHE 45 N -1.66 -0.06 -0.10 0.43 -0.12 -1.26 -5.01 117.98 110.20 2h1b s PHE 45 Ca 0.75 -0.12 0.01 0.00 -0.05 0.00 0.00 56.93 57.52 2h1b s PHE 45 Cb -0.28 0.07 0.02 0.00 -0.63 0.00 0.00 43.02 42.20 2h1b s PHE 45 CO 0.31 -0.50 -0.11 0.08 -0.05 0.00 0.00 175.22 174.94 2h1b s VAL 46 N -2.72 1.21 0.21 -2.49 1.01 -1.26 -1.94 120.40 114.41 2h1b s VAL 46 Ca -0.04 -0.45 -0.01 0.00 0.00 0.00 0.00 61.98 61.49 2h1b s VAL 46 Cb -0.00 -1.15 -0.04 0.00 0.00 0.00 0.00 36.38 35.19 2h1b s VAL 46 CO -0.04 0.39 0.14 -0.76 0.00 0.00 0.00 175.10 174.82 2h1b s LEU 47 N 1.26 1.19 -0.12 3.92 1.43 -0.11 -4.98 118.68 121.27 2h1b s LEU 47 Ca -0.03 -1.41 -0.06 0.00 -1.03 0.00 0.00 54.13 51.61 2h1b s LEU 47 Cb -0.14 0.38 -0.04 0.00 0.03 0.00 0.00 46.19 46.42 2h1b s LEU 47 CO -0.04 -0.85 0.10 -1.61 0.23 0.00 0.00 176.35 174.18 2h1b s GLU 48 N -4.13 3.35 1.00 1.70 2.02 -1.26 0.34 118.70 121.73 2h1b s GLU 48 Ca 0.39 -0.22 -0.17 0.00 0.02 0.00 0.00 54.97 54.99 2h1b s GLU 48 Cb 0.07 -3.08 0.24 0.00 0.10 0.00 0.00 34.13 31.46 2h1b s GLU 48 CO 0.13 0.72 1.06 -0.40 0.02 0.00 0.00 175.26 176.79 2h1b n ASP 49 N 2.14 -1.15 0.00 -0.19 5.68 0.18 -2.05 116.55 121.16 2h1b n ASP 49 Ca -0.19 -1.23 0.14 0.00 -0.50 0.00 0.00 54.79 53.01 2h1b n ASP 49 Cb 0.54 -0.90 0.84 0.00 -1.14 0.00 0.00 41.12 40.47 2h1b n ASP 49 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 2h1b n THR 50 N -4.21 0.02 0.94 2.12 -2.24 -0.26 -1.62 114.28 109.01 2h1b n THR 50 Ca 0.14 0.00 0.11 0.00 -2.27 0.00 0.00 64.05 62.03 2h1b n THR 50 Cb 0.52 -0.55 0.06 0.00 -2.10 0.00 0.00 70.33 68.26 2h1b n THR 50 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 2h1b n ASN 51 N -1.05 2.55 0.00 3.42 3.02 -1.26 -4.98 115.26 116.96 2h1b n ASN 51 Ca 0.20 -1.77 0.00 0.00 -0.03 0.00 0.00 54.58 52.98 2h1b n ASN 51 Cb 0.12 0.17 0.00 0.00 -0.61 0.00 0.00 39.78 39.46 2h1b n ASN 51 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2h1b n GLY 52 N 1.30 0.73 3.73 7.41 0.00 -0.64 -5.05 105.19 112.67 2h1b n GLY 52 Ca 0.12 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.60 4.60 0.04 1.61 2.20 -1.26 -4.75 119.74 121.59 2h1b s LYS 53 Ca 0.00 1.64 -0.31 0.00 -0.36 0.00 0.00 55.97 56.95 2h1b s LYS 53 Cb 0.00 -3.32 -0.06 0.00 -1.51 0.00 0.00 37.83 32.94 2h1b s LYS 53 CO 0.00 0.08 1.38 0.50 -0.36 0.00 0.00 175.35 176.94 2h1b s ARG 54 N -0.08 4.31 -0.18 4.03 3.52 -1.26 -0.65 118.95 128.63 2h1b s ARG 54 Ca 0.50 1.98 0.01 0.00 -0.13 0.00 0.00 55.73 58.09 2h1b s ARG 54 Cb -0.27 -3.45 0.03 0.00 -1.56 0.00 0.00 34.95 29.69 2h1b s ARG 54 CO 0.33 -0.50 -0.15 0.42 -0.81 0.00 0.00 175.30 174.58 2h1b s ILE 55 N 1.86 1.84 -0.21 4.11 1.01 0.15 -4.93 121.20 125.04 2h1b s ILE 55 Ca 0.64 -0.93 -0.02 0.00 0.00 0.00 0.00 60.65 60.33 2h1b s ILE 55 Cb -0.33 -1.76 -0.00 0.00 0.01 0.00 0.00 42.46 40.38 2h1b s ILE 55 CO 0.28 0.39 -0.09 -0.70 0.00 0.00 0.00 174.94 174.82 2h1b s GLU 56 N 1.35 3.27 0.25 2.79 2.12 -1.26 -0.93 118.70 126.28 2h1b s GLU 56 Ca 0.02 -0.68 -0.05 0.00 0.36 0.00 0.00 54.97 54.63 2h1b s GLU 56 Cb -0.14 -2.88 0.48 0.00 0.26 0.00 0.00 34.13 31.84 2h1b s GLU 56 CO -0.11 -0.20 1.69 1.25 -0.54 0.00 0.00 175.26 177.35 2h1b h LEU 57 N 8.06 0.03 -2.26 2.70 5.85 -1.77 0.92 115.31 128.82 2h1b h LEU 57 Ca -0.43 0.15 -0.01 0.00 0.84 0.00 0.00 57.88 58.43 2h1b h LEU 57 Cb 1.15 0.20 -0.00 0.00 0.37 0.00 0.00 40.66 42.38 2h1b h LEU 57 CO 0.61 -0.04 -0.04 0.77 -0.34 0.00 0.00 178.44 179.40 2h1b h SER 58 N 0.27 0.00 0.14 1.25 4.64 -1.95 0.13 113.55 118.03 2h1b h SER 58 Ca 0.42 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.74 2h1b h SER 58 Cb 0.73 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.82 2h1b h SER 58 CO -0.51 0.04 0.00 0.44 -0.87 0.00 0.00 176.83 175.93 2h1b h ASP 59 N 0.00 0.00 -0.63 4.97 3.32 -1.21 -2.65 116.42 120.22 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 0.11 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.66 2h1b h ASP 59 CO 0.01 0.00 0.00 0.18 -1.72 0.00 0.00 179.24 177.71 2h1b n LEU 60 N -2.95 3.47 -4.68 1.55 4.77 0.44 -4.94 117.00 114.66 2h1b n LEU 60 Ca -0.02 -1.74 -0.41 0.00 -0.03 0.00 0.00 56.01 53.81 2h1b n LEU 60 Cb 0.10 -0.44 0.02 0.00 -2.33 0.00 0.00 43.42 40.77 2h1b n LEU 60 CO 0.19 0.84 0.80 0.29 -1.33 0.00 0.00 177.39 178.18 2h1b n LYS 61 N 1.32 1.71 0.00 3.23 5.02 -1.00 -1.23 118.16 127.21 2h1b n LYS 61 Ca 0.21 0.61 0.00 0.00 -2.02 0.00 0.00 58.31 57.11 2h1b n LYS 61 Cb 0.56 -2.30 0.00 0.00 -0.02 0.00 0.00 35.03 33.27 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 0.93 2.09 3.45 0.72 0.00 0.17 -5.04 105.19 107.50 2h1b n GLY 62 Ca 0.08 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.54 1.61 0.44 1.61 1.02 -0.36 -4.75 119.74 118.78 2h1b s LYS 63 Ca 0.00 -1.29 -0.24 0.00 0.02 0.00 0.00 55.97 54.46 2h1b s LYS 63 Cb 0.00 -2.00 -0.08 0.00 -0.52 0.00 0.00 37.83 35.23 2h1b s LYS 63 CO 0.00 0.46 1.22 0.20 -0.92 0.00 0.00 175.35 176.31 2h1b s GLY 64 N -2.19 2.85 -0.14 -3.33 0.00 -0.42 -3.56 107.32 100.53 2h1b s GLY 64 Ca 0.17 1.06 0.01 0.00 0.00 0.00 0.00 44.72 45.96 2h1b s GLY 64 CO 0.09 1.57 -0.15 0.14 0.00 0.00 0.00 173.10 174.75 2h1b s VAL 65 N -1.41 1.62 -0.69 1.40 1.01 0.95 -0.90 120.40 122.38 2h1b s VAL 65 Ca 0.61 -0.68 -0.18 0.00 0.00 0.00 0.00 61.98 61.73 2h1b s VAL 65 Cb -0.33 -1.50 0.13 0.00 0.00 0.00 0.00 36.38 34.68 2h1b s VAL 65 CO 0.41 0.47 0.79 0.12 0.00 0.00 0.00 175.10 176.89 2h1b s PHE 66 N 1.29 3.15 -0.45 5.22 2.19 0.47 -1.26 117.98 128.59 2h1b s PHE 66 Ca 0.01 -1.22 -0.14 0.00 0.33 0.00 0.00 56.93 55.92 2h1b s PHE 66 Cb -0.14 -4.03 0.07 0.00 -1.31 0.00 0.00 43.02 37.61 2h1b s PHE 66 CO -0.08 -1.28 0.34 -1.17 1.83 0.00 0.00 175.22 174.86 2h1b s LEU 67 N 2.26 5.42 -0.25 6.12 2.96 -0.34 -1.73 118.68 133.11 2h1b s LEU 67 Ca 0.16 -1.31 -0.03 0.00 -0.22 0.00 0.00 54.13 52.74 2h1b s LEU 67 Cb -0.18 -2.13 0.02 0.00 0.50 0.00 0.00 46.19 44.40 2h1b s LEU 67 CO 0.01 -0.59 -0.04 0.21 -1.32 0.00 0.00 176.35 174.62 2h1b s ASN 68 N 2.34 4.41 -0.14 3.68 3.04 -0.57 -0.14 114.94 127.57 2h1b s ASN 68 Ca 0.04 -0.78 -0.18 0.00 0.04 0.00 0.00 52.86 51.97 2h1b s ASN 68 Cb -0.23 -1.70 -0.04 0.00 -1.54 0.00 0.00 41.25 37.74 2h1b s ASN 68 CO 0.06 -0.12 0.49 -0.36 -3.04 0.00 0.00 177.10 174.13 2h1b s PHE 69 N 1.37 3.48 0.09 0.43 0.40 0.08 0.90 117.98 124.73 2h1b s PHE 69 Ca 0.01 0.87 -0.10 0.00 -0.60 0.00 0.00 56.93 57.11 2h1b s PHE 69 Cb -0.16 -2.58 0.01 0.00 0.51 0.00 0.00 43.02 40.79 2h1b s PHE 69 CO -0.03 0.10 0.24 1.67 0.70 0.00 0.00 175.22 177.90 2h1b s TRP 70 N 0.87 0.06 0.06 0.36 1.48 -0.63 -2.55 118.94 118.58 2h1b s TRP 70 Ca 0.26 -0.44 0.01 0.00 -1.06 0.00 0.00 56.10 54.87 2h1b s TRP 70 Cb -0.15 0.01 -0.03 0.00 -1.16 0.00 0.00 33.47 32.14 2h1b s TRP 70 CO 0.10 -0.57 -0.05 0.20 -4.06 0.00 0.00 176.95 172.57 2h1b s GLY 71 N -2.76 0.52 0.51 3.67 0.00 -1.26 -1.77 107.32 106.23 2h1b s GLY 71 Ca 0.03 -1.01 0.34 0.00 0.00 0.00 0.00 44.72 44.08 2h1b s GLY 71 CO -0.10 -1.10 2.04 -0.91 0.00 0.00 0.00 173.10 173.03 2h1b h THR 72 N 3.75 0.00 -0.00 0.90 1.35 -1.99 -1.48 112.91 115.43 2h1b h THR 72 Ca -0.34 -0.04 0.00 0.00 -0.55 0.00 0.00 66.41 65.48 2h1b h THR 72 Cb 1.18 0.82 0.00 0.00 -1.73 0.00 0.00 68.15 68.42 2h1b h THR 72 CO 0.54 0.00 -0.33 -2.67 -0.25 0.00 0.00 175.52 172.81 2h1b n TRP 73 N -2.71 0.00 -2.52 4.73 2.14 -1.26 -4.85 117.44 112.96 2h1b n TRP 73 Ca -0.02 0.00 -0.42 0.00 2.07 0.00 0.00 57.50 59.13 2h1b n TRP 73 Cb 0.08 -0.22 -0.02 0.00 -0.81 0.00 0.00 31.31 30.33 2h1b n TRP 73 CO 0.00 0.00 0.00 0.00 2.07 0.00 0.00 177.69 179.76 2h1b h GLU 75 N 9.95 0.36 -0.93 0.00 4.39 -1.89 -1.46 114.58 125.00 2h1b h GLU 75 Ca -0.25 -0.02 0.12 0.00 0.34 0.00 0.00 59.36 59.54 2h1b h GLU 75 Cb 1.07 -0.08 -0.07 0.00 -0.10 0.00 0.00 28.75 29.57 2h1b h GLU 75 CO 1.16 0.24 0.59 -1.35 -1.16 0.00 0.00 179.01 178.49 2h1b h PRO 76 N 0.37 0.84 -0.51 2.33 0.11 -1.94 -1.96 132.00 131.24 2h1b h PRO 76 Ca 0.32 -0.05 0.03 0.00 0.11 0.00 0.00 66.00 66.41 2h1b h PRO 76 Cb 0.43 -0.19 -0.03 0.00 0.11 0.00 0.00 31.00 31.32 2h1b h PRO 76 CO -0.34 0.56 0.34 0.00 -0.21 0.00 0.00 178.00 178.35 2h1b h LYS 78 N 0.59 1.31 0.19 0.00 1.57 -1.21 -0.68 116.57 118.34 2h1b h LYS 78 Ca 0.20 -0.09 -0.32 0.00 -1.87 0.00 0.00 60.65 58.58 2h1b h LYS 78 Cb 0.09 -0.29 0.02 0.00 0.08 0.00 0.00 32.23 32.13 2h1b h LYS 78 CO -0.05 0.88 -1.46 0.87 -0.57 0.00 0.00 179.45 179.12 2h1b h LYS 79 N 1.34 0.40 0.00 3.15 1.79 -1.48 -3.40 116.57 118.38 2h1b h LYS 79 Ca 0.36 -0.69 -0.17 0.00 -2.18 0.00 0.00 60.65 57.97 2h1b h LYS 79 Cb -0.13 0.26 -0.02 0.00 -1.58 0.00 0.00 32.23 30.76 2h1b h LYS 79 CO -0.07 1.32 -0.79 1.96 -1.08 0.00 0.00 179.45 180.78 2h1b h GLN 80 N 0.11 0.00 -0.05 3.15 4.20 -0.55 -3.28 115.11 118.70 2h1b h GLN 80 Ca -0.23 0.00 0.02 0.00 0.06 0.00 0.00 58.65 58.50 2h1b h GLN 80 Cb 2.09 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 29.84 2h1b h GLN 80 CO 0.23 0.79 -0.09 0.74 -0.67 0.00 0.00 178.83 179.83 2h1b h PHE 81 N 0.00 -0.22 -0.83 2.96 -1.00 -1.33 0.26 116.94 116.78 2h1b h PHE 81 Ca -0.01 0.01 0.07 0.00 2.81 0.00 0.00 57.97 60.85 2h1b h PHE 81 Cb 1.49 0.11 -0.05 0.00 3.61 0.00 0.00 35.95 41.10 2h1b h PHE 81 CO 0.00 -0.14 0.54 -1.35 -1.61 0.00 0.00 178.31 175.75 2h1b h PRO 82 N -0.13 0.87 -0.45 1.51 0.11 -1.62 -0.05 132.00 132.24 2h1b h PRO 82 Ca 0.05 -0.05 -0.03 0.00 0.11 0.00 0.00 66.00 66.08 2h1b h PRO 82 Cb 0.20 -0.20 -0.02 0.00 0.11 0.00 0.00 31.00 31.10 2h1b h PRO 82 CO -0.13 0.58 0.17 1.88 -0.21 0.00 0.00 178.00 180.29 2h1b h TYR 83 N 0.90 0.69 -0.46 0.65 0.05 -1.50 -0.74 116.97 116.55 2h1b h TYR 83 Ca 0.36 -0.06 -0.00 0.00 0.05 0.00 0.00 58.73 59.08 2h1b h TYR 83 Cb 0.24 -0.21 -0.02 0.00 1.01 0.00 0.00 36.73 37.75 2h1b h TYR 83 CO -0.00 0.60 0.29 0.52 -1.05 0.00 0.00 178.16 178.51 2h1b h MET 84 N 0.58 0.62 -0.23 4.88 2.86 -0.60 -0.63 114.93 122.42 2h1b h MET 84 Ca 0.15 -0.05 0.04 0.00 -2.06 0.00 0.00 59.70 57.78 2h1b h MET 84 Cb 0.21 -0.13 -0.04 0.00 0.06 0.00 0.00 31.60 31.70 2h1b h MET 84 CO -0.01 0.44 -0.01 0.00 1.06 0.00 0.00 176.91 178.39 2h1b h ALA 85 N 1.14 0.19 -0.65 6.32 0.00 -0.91 0.16 119.26 125.51 2h1b h ALA 85 Ca 0.17 0.07 0.02 0.00 0.00 0.00 0.00 54.91 55.16 2h1b h ALA 85 Cb -0.02 0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.84 2h1b h ALA 85 CO -0.03 -0.43 0.41 -0.97 0.00 0.00 0.00 179.25 178.23 2h1b h ASN 86 N 0.06 0.69 0.36 0.00 -1.24 -0.81 -2.86 115.58 111.78 2h1b h ASN 86 Ca 0.11 -0.01 -0.15 0.00 0.71 0.00 0.00 56.30 56.96 2h1b h ASN 86 Cb 0.14 -0.16 -0.01 0.00 0.73 0.00 0.00 38.32 39.02 2h1b h ASN 86 CO -0.19 0.49 -0.62 1.56 -1.29 0.00 0.00 177.43 177.38 2h1b h GLN 87 N 0.83 0.25 -0.52 6.67 1.08 -0.92 -3.03 115.11 119.47 2h1b h GLN 87 Ca 0.25 -0.18 0.06 0.00 -1.45 0.00 0.00 58.65 57.33 2h1b h GLN 87 Cb -0.03 0.03 -0.03 0.00 -0.05 0.00 0.00 27.48 27.40 2h1b h GLN 87 CO -0.08 0.79 0.35 -0.92 -0.95 0.00 0.00 178.83 178.02 2h1b h TYR 88 N 0.19 0.46 -0.96 2.96 3.20 -0.46 -0.21 116.97 122.14 2h1b h TYR 88 Ca -0.01 0.01 0.12 0.00 3.14 0.00 0.00 58.73 61.99 2h1b h TYR 88 Cb 1.14 -0.15 -0.08 0.00 1.54 0.00 0.00 36.73 39.18 2h1b h TYR 88 CO 0.02 0.25 0.61 0.87 -1.64 0.00 0.00 178.16 178.27 2h1b h LYS 89 N 0.46 0.89 0.19 1.82 1.57 -1.39 -1.18 116.57 118.93 2h1b h LYS 89 Ca 0.22 -0.05 -0.34 0.00 -1.87 0.00 0.00 60.65 58.61 2h1b h LYS 89 Cb 0.30 -0.20 0.01 0.00 0.08 0.00 0.00 32.23 32.42 2h1b h LYS 89 CO -0.06 0.59 -1.69 1.25 -0.57 0.00 0.00 179.45 178.97 2h1b h HIS 90 N 0.92 0.73 0.00 -1.35 2.76 -1.39 -3.42 115.15 113.40 2h1b h HIS 90 Ca 0.47 -0.53 -0.00 0.00 -2.20 0.00 0.00 60.37 58.10 2h1b h HIS 90 Cb 0.51 -0.03 -0.00 0.00 1.55 0.00 0.00 27.41 29.44 2h1b h HIS 90 CO -0.00 1.66 -1.47 1.19 -1.30 0.00 0.00 177.93 178.00 2h1b n PHE 91 N -3.64 0.52 -0.17 5.26 3.72 -0.20 -4.20 117.46 118.75 2h1b n PHE 91 Ca -0.24 0.15 -0.02 0.00 -0.05 0.00 0.00 57.45 57.29 2h1b n PHE 91 Cb 1.06 -0.75 0.07 0.00 -0.94 0.00 0.00 39.48 38.92 2h1b n PHE 91 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 176.76 176.49 2h1b h LYS 92 N 0.00 0.28 0.00 -1.08 3.64 -1.35 -0.19 116.57 117.86 2h1b h LYS 92 Ca -0.00 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 2h1b h LYS 92 Cb 1.01 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.77 2h1b h LYS 92 CO 0.00 0.18 0.00 -1.13 -2.27 0.00 0.00 179.45 176.23 2h1b n SER 93 N -5.07 0.00 -1.46 4.20 3.41 -1.26 -2.34 113.62 111.09 2h1b n SER 93 Ca 0.06 0.40 0.10 0.00 -0.26 0.00 0.00 58.87 59.17 2h1b n SER 93 Cb 0.24 -0.46 0.33 0.00 -0.26 0.00 0.00 64.21 64.07 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 -1.46 3.30 -1.70 4.33 6.02 -0.11 -4.94 117.38 122.82 2h1b n GLN 94 Ca 0.06 -2.66 0.00 0.00 -0.01 0.00 0.00 57.00 54.39 2h1b n GLN 94 Cb 0.21 -1.77 0.00 0.00 1.02 0.00 0.00 30.24 29.70 2h1b n GLN 94 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2h1b n GLY 95 N 1.27 0.55 3.28 1.08 0.00 -0.99 -4.19 105.19 106.18 2h1b n GLY 95 Ca 0.24 -0.80 -0.34 0.00 0.00 0.00 0.00 46.02 45.12 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 -2.00 2.92 0.03 1.61 1.01 -1.04 -1.30 120.40 121.63 2h1b s VAL 96 Ca 0.00 -0.66 0.01 0.00 0.00 0.00 0.00 61.98 61.32 2h1b s VAL 96 Cb 0.00 -2.28 -0.04 0.00 0.00 0.00 0.00 36.38 34.06 2h1b s VAL 96 CO 0.00 0.48 0.10 -0.70 0.00 0.00 0.00 175.10 174.98 2h1b s GLU 97 N 1.10 3.05 -0.14 2.72 2.56 -0.07 -3.98 118.70 123.93 2h1b s GLU 97 Ca 0.00 -0.55 -0.06 0.00 0.00 0.00 0.00 54.97 54.36 2h1b s GLU 97 Cb -0.14 -2.84 -0.04 0.00 2.00 0.00 0.00 34.13 33.11 2h1b s GLU 97 CO -0.03 0.61 0.07 0.42 -0.56 0.00 0.00 175.26 175.77 2h1b s ILE 98 N -1.30 4.88 -0.23 -3.70 1.01 -1.26 -0.40 121.20 120.20 2h1b s ILE 98 Ca 0.27 -0.01 0.01 0.00 0.00 0.00 0.00 60.65 60.91 2h1b s ILE 98 Cb -0.12 -3.15 0.06 0.00 0.01 0.00 0.00 42.46 39.26 2h1b s ILE 98 CO 0.18 0.54 -0.05 -0.69 0.00 0.00 0.00 174.94 174.92 2h1b s VAL 99 N -0.31 1.50 -0.51 2.92 1.01 -0.71 -3.96 120.40 120.35 2h1b s VAL 99 Ca 0.09 -1.18 -0.16 0.00 0.00 0.00 0.00 61.98 60.72 2h1b s VAL 99 Cb -0.12 -1.76 0.09 0.00 0.00 0.00 0.00 36.38 34.59 2h1b s VAL 99 CO 0.02 -0.09 0.47 0.00 0.00 0.00 0.00 175.10 175.50 2h1b s ALA 100 N 1.41 3.56 -0.49 5.51 0.00 -0.41 -1.50 121.76 129.83 2h1b s ALA 100 Ca -0.05 -2.23 -0.25 0.00 0.00 0.00 0.00 51.96 49.43 2h1b s ALA 100 Cb -0.19 -3.20 0.03 0.00 0.00 0.00 0.00 23.12 19.77 2h1b s ALA 100 CO -0.06 -1.90 0.92 0.08 0.00 0.00 0.00 175.76 174.80 2h1b s VAL 101 N 1.80 4.45 0.14 0.00 1.01 0.26 -1.47 120.40 126.59 2h1b s VAL 101 Ca 0.05 0.57 -0.30 0.00 0.00 0.00 0.00 61.98 62.31 2h1b s VAL 101 Cb -0.26 -4.46 -0.07 0.00 0.00 0.00 0.00 36.38 31.59 2h1b s VAL 101 CO 0.06 -0.92 1.08 0.21 0.00 0.00 0.00 175.10 175.52 2h1b s ASN 102 N 2.45 7.30 -1.41 3.32 3.84 0.30 -1.60 114.94 129.14 2h1b s ASN 102 Ca 0.34 2.00 -0.08 0.00 0.21 0.00 0.00 52.86 55.34 2h1b s ASN 102 Cb -0.11 -2.60 0.01 0.00 -0.55 0.00 0.00 41.25 38.00 2h1b s ASN 102 CO 0.24 -0.22 2.71 1.33 -2.79 0.00 0.00 177.10 178.37 2h1b n VAL 103 N 2.72 4.70 -0.62 -5.21 0.24 -0.73 -1.36 118.33 118.06 2h1b n VAL 103 Ca 0.04 -3.38 0.00 0.00 -2.04 0.00 0.00 64.34 58.95 2h1b n VAL 103 Cb 0.47 -2.32 0.00 0.00 -1.47 0.00 0.00 33.84 30.52 2h1b n VAL 103 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2h1b n GLY 104 N 2.61 0.65 3.93 7.63 0.00 -0.77 -4.87 105.19 114.36 2h1b n GLY 104 Ca 0.70 -0.33 -0.26 0.00 0.00 0.00 0.00 46.02 46.12 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 -0.79 1.96 0.68 1.61 2.02 -1.26 -4.92 118.70 118.00 2h1b s GLU 105 Ca 0.00 -0.29 -0.14 0.00 0.02 0.00 0.00 54.97 54.56 2h1b s GLU 105 Cb 0.00 -2.12 0.01 0.00 0.10 0.00 0.00 34.13 32.12 2h1b s GLU 105 CO 0.00 -1.43 1.10 -1.54 0.02 0.00 0.00 175.26 173.41 2h1b s SER 106 N -4.58 5.03 0.24 -0.19 1.04 -1.26 -4.88 113.70 109.10 2h1b s SER 106 Ca 0.62 1.93 -0.05 0.00 0.48 0.00 0.00 55.95 58.93 2h1b s SER 106 Cb -0.10 -2.54 0.40 0.00 0.10 0.00 0.00 66.02 63.89 2h1b s SER 106 CO 0.46 -1.68 1.76 0.50 0.98 0.00 0.00 173.24 175.26 2h1b h LYS 107 N -0.23 0.53 -0.17 4.02 1.63 -2.00 -2.19 116.57 118.17 2h1b h LYS 107 Ca -0.46 -0.03 -0.22 0.00 -0.85 0.00 0.00 60.65 59.09 2h1b h LYS 107 Cb 1.24 -0.12 0.01 0.00 -0.60 0.00 0.00 32.23 32.76 2h1b h LYS 107 CO 0.54 0.35 -0.76 -0.84 -3.45 0.00 0.00 179.45 175.29 2h1b h ILE 108 N 0.55 1.28 -0.62 2.00 -0.00 -1.99 -1.66 117.51 117.07 2h1b h ILE 108 Ca 0.39 -1.95 0.03 0.00 -0.00 0.00 0.00 64.86 63.32 2h1b h ILE 108 Cb 0.49 1.95 -0.04 0.00 -0.00 0.00 0.00 36.82 39.22 2h1b h ILE 108 CO -0.33 0.62 0.38 0.00 -0.00 0.00 0.00 178.15 178.82 2h1b h ALA 109 N 0.58 0.80 0.12 0.16 0.00 -1.89 0.12 119.26 119.14 2h1b h ALA 109 Ca -0.05 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 2h1b h ALA 109 Cb 1.39 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.99 2h1b h ALA 109 CO 0.16 0.12 -0.06 0.28 0.00 0.00 0.00 179.25 179.75 2h1b h VAL 110 N 0.74 0.96 -0.90 0.00 2.07 -1.42 -2.55 116.25 115.15 2h1b h VAL 110 Ca 0.25 -0.29 0.08 0.00 0.82 0.00 0.00 66.70 67.56 2h1b h VAL 110 Cb 0.02 1.14 -0.07 0.00 -1.52 0.00 0.00 31.29 30.87 2h1b h VAL 110 CO -0.10 0.07 0.55 -0.74 0.02 0.00 0.00 177.57 177.37 2h1b h HIS 111 N -0.29 1.02 -0.55 1.57 -0.00 -0.95 0.03 115.15 115.97 2h1b h HIS 111 Ca -0.02 0.03 -0.09 0.00 -0.00 0.00 0.00 60.37 60.29 2h1b h HIS 111 Cb 0.24 -0.32 -0.02 0.00 -0.00 0.00 0.00 27.41 27.30 2h1b h HIS 111 CO -0.03 0.47 -0.01 -0.91 -0.00 0.00 0.00 177.93 177.45 2h1b h ASN 112 N 0.96 0.93 -0.47 3.26 2.35 -0.97 -2.03 115.58 119.61 2h1b h ASN 112 Ca 0.41 -0.26 -0.12 0.00 -0.55 0.00 0.00 56.30 55.79 2h1b h ASN 112 Cb 0.28 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 38.39 2h1b h ASN 112 CO -0.21 0.99 -0.19 0.15 -1.65 0.00 0.00 177.43 176.53 2h1b h PHE 113 N 0.87 1.10 -0.62 1.19 3.04 -0.83 -2.15 116.94 119.54 2h1b h PHE 113 Ca 0.16 -0.26 -0.04 0.00 3.98 0.00 0.00 57.97 61.81 2h1b h PHE 113 Cb 0.53 -0.26 -0.03 0.00 2.56 0.00 0.00 35.95 38.76 2h1b h PHE 113 CO 0.03 1.07 0.23 0.52 -2.02 0.00 0.00 178.31 178.14 2h1b h MET 114 N 0.81 0.91 -0.38 1.11 2.86 -0.81 -0.81 114.93 118.61 2h1b h MET 114 Ca 0.11 -0.15 -0.09 0.00 -2.06 0.00 0.00 59.70 57.51 2h1b h MET 114 Cb 0.76 -0.15 -0.01 0.00 0.06 0.00 0.00 31.60 32.26 2h1b h MET 114 CO 0.06 0.76 -0.10 0.87 1.06 0.00 0.00 176.91 179.56 2h1b h LYS 115 N 0.89 0.74 0.00 1.72 1.57 -1.23 -2.60 116.57 117.66 2h1b h LYS 115 Ca 0.21 -0.29 -0.17 0.00 -1.87 0.00 0.00 60.65 58.53 2h1b h LYS 115 Cb 0.20 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.45 2h1b h LYS 115 CO -0.02 0.89 -0.81 0.77 -0.57 0.00 0.00 179.45 179.71 2h1b h SER 116 N 0.54 0.00 -0.19 0.86 0.02 -1.08 -3.36 113.55 110.34 2h1b h SER 116 Ca 0.10 0.00 -0.09 0.00 -0.84 0.00 0.00 61.79 60.96 2h1b h SER 116 Cb 0.62 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 63.11 2h1b h SER 116 CO 0.04 0.81 -0.20 -1.22 -1.14 0.00 0.00 176.83 175.12 2h1b n TYR 117 N -3.49 0.61 -1.82 3.45 4.01 -0.34 -4.99 117.16 114.58 2h1b n TYR 117 Ca -0.00 -1.44 -0.05 0.00 -0.16 0.00 0.00 57.90 56.25 2h1b n TYR 117 Cb 0.80 -0.36 -0.01 0.00 -0.31 0.00 0.00 39.34 39.46 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 -1.10 0.33 3.74 2.72 0.00 -1.16 -3.08 105.19 106.65 2h1b n GLY 118 Ca 0.26 -0.72 -0.41 0.00 0.00 0.00 0.00 46.02 45.15 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 -2.23 3.59 -0.02 1.61 1.01 -0.99 -4.73 120.40 118.63 2h1b s VAL 119 Ca 0.00 1.36 0.04 0.00 0.00 0.00 0.00 61.98 63.38 2h1b s VAL 119 Cb 0.00 -3.87 0.05 0.00 0.00 0.00 0.00 36.38 32.57 2h1b s VAL 119 CO 0.00 0.23 0.95 -0.46 0.00 0.00 0.00 175.10 175.82 2h1b n ASN 120 N 2.38 0.53 -4.43 3.32 6.94 -1.26 -4.96 115.26 117.78 2h1b n ASN 120 Ca 0.04 -2.05 -0.21 0.00 -0.02 0.00 0.00 54.58 52.33 2h1b n ASN 120 Cb 0.45 -0.20 -0.10 0.00 -2.36 0.00 0.00 39.78 37.56 2h1b n ASN 120 CO 0.00 0.00 0.00 0.72 -1.03 0.00 0.00 177.26 176.95 2h1b s PHE 121 N -0.59 1.94 0.20 -2.53 -0.12 -1.26 -5.06 117.98 110.57 2h1b s PHE 121 Ca 0.06 -0.73 -0.32 0.00 -0.05 0.00 0.00 56.93 55.89 2h1b s PHE 121 Cb 0.05 -1.13 -0.12 0.00 -0.63 0.00 0.00 43.02 41.19 2h1b s PHE 121 CO 0.01 0.24 1.73 -2.30 -0.05 0.00 0.00 175.22 174.85 2h1b n PRO 122 N -0.59 2.76 -4.78 1.99 -0.02 -1.25 -4.95 135.00 128.15 2h1b n PRO 122 Ca -0.05 1.00 -0.30 0.00 -2.02 0.00 0.00 63.50 62.13 2h1b n PRO 122 Cb 0.64 -2.84 -0.17 0.00 -0.02 0.00 0.00 33.50 31.11 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 1.23 1.71 0.24 -1.45 1.01 -1.26 -1.29 120.40 120.59 2h1b s VAL 123 Ca 0.76 -0.80 0.11 0.00 0.00 0.00 0.00 61.98 62.05 2h1b s VAL 123 Cb -0.51 -1.52 -0.05 0.00 0.00 0.00 0.00 36.38 34.30 2h1b s VAL 123 CO 0.33 0.48 -0.18 0.68 0.00 0.00 0.00 175.10 176.41 2h1b s VAL 124 N 0.67 2.63 -0.32 2.92 -7.23 -0.54 -1.11 120.40 117.42 2h1b s VAL 124 Ca -0.12 -2.16 -0.07 0.00 -1.81 0.00 0.00 61.98 57.82 2h1b s VAL 124 Cb -0.16 -2.34 0.03 0.00 0.56 0.00 0.00 36.38 34.47 2h1b s VAL 124 CO 0.03 -0.28 0.10 -0.76 -0.31 0.00 0.00 175.10 173.88 2h1b s LEU 125 N -3.21 4.15 -1.26 1.32 1.43 -0.87 -0.54 118.68 119.70 2h1b s LEU 125 Ca 0.27 -0.98 -0.15 0.00 -1.03 0.00 0.00 54.13 52.24 2h1b s LEU 125 Cb -0.06 -1.88 0.12 0.00 0.03 0.00 0.00 46.19 44.40 2h1b s LEU 125 CO 0.14 -0.28 1.61 -0.67 0.23 0.00 0.00 176.35 177.38 2h1b n ASP 126 N 4.84 5.06 0.12 2.29 2.03 -0.47 -4.54 116.55 125.89 2h1b n ASP 126 Ca -0.13 -2.95 0.04 0.00 0.52 0.00 0.00 54.79 52.27 2h1b n ASP 126 Cb 0.46 -1.65 0.47 0.00 -0.72 0.00 0.00 41.12 39.69 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 4.98 1.10 -0.15 5.18 1.35 -1.91 -1.90 112.91 121.55 2h1b h THR 127 Ca 0.39 -0.37 0.00 0.00 -0.55 0.00 0.00 66.41 65.87 2h1b h THR 127 Cb 0.85 0.93 0.00 0.00 -1.73 0.00 0.00 68.15 68.21 2h1b h THR 127 CO 1.37 0.13 0.00 -0.90 -0.25 0.00 0.00 175.52 175.87 2h1b n ASP 128 N -4.41 2.91 -1.35 5.36 5.75 -1.26 -4.70 116.55 118.85 2h1b n ASP 128 Ca -0.00 -2.66 -0.16 0.00 -0.01 0.00 0.00 54.79 51.95 2h1b n ASP 128 Cb 0.15 -0.35 -0.07 0.00 -1.03 0.00 0.00 41.12 39.82 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 -0.59 -1.49 -0.12 0.11 1.74 -0.86 -4.87 116.66 110.59 2h1b n ARG 129 Ca 0.14 1.03 -0.11 0.00 -0.77 0.00 0.00 57.85 58.14 2h1b n ARG 129 Cb 0.62 -5.37 0.02 0.00 -1.02 0.00 0.00 32.46 26.70 2h1b n ARG 129 CO 0.00 0.00 0.00 0.37 -1.52 0.00 0.00 177.63 176.48 2h1b h GLN 130 N 0.00 0.90 -0.21 5.56 4.15 -1.94 -1.45 115.11 122.12 2h1b h GLN 130 Ca -0.34 -0.42 -0.06 0.00 0.77 0.00 0.00 58.65 58.60 2h1b h GLN 130 Cb 1.19 -0.01 -0.01 0.00 0.21 0.00 0.00 27.48 28.86 2h1b h GLN 130 CO 0.49 1.07 -0.12 0.28 -1.93 0.00 0.00 178.83 178.63 2h1b h VAL 131 N 0.76 1.31 -0.45 2.39 2.07 -1.92 -0.62 116.25 119.80 2h1b h VAL 131 Ca 0.08 -1.20 0.08 0.00 0.82 0.00 0.00 66.70 66.49 2h1b h VAL 131 Cb 0.86 1.64 -0.10 0.00 -1.52 0.00 0.00 31.29 32.17 2h1b h VAL 131 CO 0.08 0.37 -0.40 0.25 0.02 0.00 0.00 177.57 177.89 2h1b h LEU 132 N 0.16 -1.33 -1.23 2.57 5.85 -1.93 -1.44 115.31 117.95 2h1b h LEU 132 Ca 0.05 0.22 -0.03 0.00 0.84 0.00 0.00 57.88 58.95 2h1b h LEU 132 Cb 0.62 0.60 -0.02 0.00 0.37 0.00 0.00 40.66 42.22 2h1b h LEU 132 CO 0.03 -0.35 0.19 0.44 -0.34 0.00 0.00 178.44 178.41 2h1b h ASP 133 N -0.28 0.66 -0.12 1.25 3.32 -1.20 -2.44 116.42 117.61 2h1b h ASP 133 Ca 0.16 -0.08 -0.05 0.00 0.02 0.00 0.00 57.03 57.08 2h1b h ASP 133 Cb 0.57 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.94 2h1b h ASP 133 CO -0.59 0.60 -0.05 0.00 -1.72 0.00 0.00 179.24 177.48 2h1b h ALA 134 N 1.49 1.46 -0.06 3.45 0.00 -0.38 -1.73 119.26 123.50 2h1b h ALA 134 Ca 0.17 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2h1b h ALA 134 Cb 0.16 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.84 2h1b h ALA 134 CO -0.01 0.38 0.00 0.66 0.00 0.00 0.00 179.25 180.28 2h1b n TYR 135 N -4.29 0.06 -3.85 0.00 4.02 -0.61 -4.89 117.16 107.60 2h1b n TYR 135 Ca 0.00 -0.03 -0.25 0.00 -0.01 0.00 0.00 57.90 57.61 2h1b n TYR 135 Cb 0.24 0.00 0.01 0.00 -0.02 0.00 0.00 39.34 39.57 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 0.18 -1.46 -4.72 7.72 2.03 -0.65 -4.94 116.55 114.71 2h1b n ASP 136 Ca 0.18 -0.89 -0.39 0.00 0.52 0.00 0.00 54.79 54.20 2h1b n ASP 136 Cb 0.34 -3.59 -0.05 0.00 -0.72 0.00 0.00 41.12 37.10 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 -3.71 5.06 0.01 5.18 1.01 -1.04 -4.96 120.40 121.94 2h1b s VAL 137 Ca 0.14 1.38 -0.03 0.00 0.00 0.00 0.00 61.98 63.47 2h1b s VAL 137 Cb -0.07 -4.01 -0.01 0.00 0.00 0.00 0.00 36.38 32.29 2h1b s VAL 137 CO 0.85 0.26 -0.06 -0.24 0.00 0.00 0.00 175.10 175.92 2h1b n SER 138 N 3.74 0.69 -4.78 3.32 2.88 -1.26 -4.85 113.62 113.36 2h1b n SER 138 Ca -0.02 0.10 -0.36 0.00 -1.33 0.00 0.00 58.87 57.26 2h1b n SER 138 Cb 0.51 -0.31 -0.01 0.00 -0.75 0.00 0.00 64.21 63.65 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 -1.65 3.64 -0.00 -1.46 0.04 -1.26 -5.04 135.00 129.27 2h1b s PRO 139 Ca -0.05 1.60 0.05 0.00 0.04 0.00 0.00 61.00 62.65 2h1b s PRO 139 Cb 0.01 -2.19 -0.02 0.00 0.04 0.00 0.00 34.50 32.34 2h1b s PRO 139 CO 0.07 -0.61 -0.17 -0.51 0.04 0.00 0.00 177.00 175.82 2h1b s LEU 140 N -3.40 2.06 0.70 -3.56 1.43 -1.26 -3.71 118.68 110.94 2h1b s LEU 140 Ca 0.68 -0.35 -0.12 0.00 -1.03 0.00 0.00 54.13 53.31 2h1b s LEU 140 Cb -0.24 -0.85 0.01 0.00 0.03 0.00 0.00 46.19 45.15 2h1b s LEU 140 CO 0.28 0.18 1.07 -2.16 0.23 0.00 0.00 176.35 175.95 2h1b s PRO 141 N -0.57 2.82 -0.01 1.29 0.04 -1.26 -5.00 135.00 132.31 2h1b s PRO 141 Ca 0.06 1.08 0.05 0.00 0.04 0.00 0.00 61.00 62.23 2h1b s PRO 141 Cb -0.07 -1.97 -0.01 0.00 0.04 0.00 0.00 34.50 32.49 2h1b s PRO 141 CO -0.00 -1.20 -0.17 0.99 0.04 0.00 0.00 177.00 176.66 2h1b s THR 142 N -2.87 1.32 -0.07 1.26 2.01 -1.06 -4.63 115.64 111.59 2h1b s THR 142 Ca 0.60 -0.74 0.05 0.00 0.31 0.00 0.00 61.69 61.92 2h1b s THR 142 Cb -0.15 -1.10 -0.01 0.00 0.01 0.00 0.00 72.50 71.25 2h1b s THR 142 CO 0.51 0.35 -0.24 -0.89 -0.69 0.00 0.00 174.62 173.67 2h1b s THR 143 N -0.42 2.11 -0.24 -0.82 2.01 0.18 -0.74 115.64 117.73 2h1b s THR 143 Ca 0.06 -1.03 -0.08 0.00 0.31 0.00 0.00 61.69 60.95 2h1b s THR 143 Cb -0.07 -1.78 -0.03 0.00 0.01 0.00 0.00 72.50 70.63 2h1b s THR 143 CO -0.00 0.57 0.08 -0.36 -0.69 0.00 0.00 174.62 174.21 2h1b s PHE 144 N 0.02 3.14 -0.39 4.92 0.40 0.80 -0.59 117.98 126.27 2h1b s PHE 144 Ca -0.09 -0.22 -0.21 0.00 -0.60 0.00 0.00 56.93 55.81 2h1b s PHE 144 Cb -0.15 -2.21 0.01 0.00 0.51 0.00 0.00 43.02 41.18 2h1b s PHE 144 CO 0.06 -0.20 0.68 -0.51 0.70 0.00 0.00 175.22 175.95 2h1b s LEU 145 N 1.31 4.29 -0.21 -0.37 1.43 -0.28 -1.19 118.68 123.65 2h1b s LEU 145 Ca 0.05 0.02 -0.04 0.00 -1.03 0.00 0.00 54.13 53.14 2h1b s LEU 145 Cb -0.15 -2.83 -0.01 0.00 0.03 0.00 0.00 46.19 43.24 2h1b s LEU 145 CO 0.04 -0.70 -0.05 -0.63 0.23 0.00 0.00 176.35 175.23 2h1b s ILE 146 N 2.88 3.32 0.86 -0.59 1.01 -0.39 -0.44 121.20 127.83 2h1b s ILE 146 Ca 0.26 -0.51 -0.12 0.00 0.00 0.00 0.00 60.65 60.28 2h1b s ILE 146 Cb -0.14 -2.50 0.11 0.00 0.01 0.00 0.00 42.46 39.94 2h1b s ILE 146 CO 0.17 0.43 1.12 0.54 0.00 0.00 0.00 174.94 177.20 2h1b s ASN 147 N 1.41 3.97 0.56 3.58 6.03 -0.12 -0.04 114.94 130.33 2h1b s ASN 147 Ca 0.05 1.15 0.36 0.00 -1.03 0.00 0.00 52.86 53.39 2h1b s ASN 147 Cb -0.14 -1.81 1.95 0.00 -3.03 0.00 0.00 41.25 38.22 2h1b s ASN 147 CO -0.03 -2.28 2.10 -0.65 -2.03 0.00 0.00 177.10 174.20 2h1b h PRO 148 N -1.31 0.00 -0.00 3.55 0.11 -1.72 0.87 132.00 133.50 2h1b h PRO 148 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 2h1b h PRO 148 Cb 1.30 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.41 2h1b h PRO 148 CO 0.60 0.00 -0.04 0.39 -0.21 0.00 0.00 178.00 178.75 2h1b n GLU 149 N -2.79 0.89 -0.97 1.05 4.71 -1.26 0.42 120.64 122.69 2h1b n GLU 149 Ca -0.02 -0.21 0.00 0.00 -0.01 0.00 0.00 57.16 56.92 2h1b n GLU 149 Cb 0.10 -1.50 0.00 0.00 -1.01 0.00 0.00 31.44 29.03 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 1.16 0.41 3.77 0.62 0.00 0.30 -5.00 105.19 106.45 2h1b n GLY 150 Ca 0.19 -1.04 -0.33 0.00 0.00 0.00 0.00 46.02 44.84 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 -1.94 3.01 -0.11 1.61 -0.14 -1.26 -1.20 119.74 119.72 2h1b s LYS 151 Ca 0.00 -0.52 -0.30 0.00 -1.36 0.00 0.00 55.97 53.80 2h1b s LYS 151 Cb 0.00 -2.82 -0.03 0.00 -1.68 0.00 0.00 37.83 33.30 2h1b s LYS 151 CO 0.00 0.64 1.33 0.08 -0.76 0.00 0.00 175.35 176.64 2h1b s VAL 152 N -1.19 4.09 -0.16 3.17 1.01 0.44 -0.95 120.40 126.82 2h1b s VAL 152 Ca 0.23 1.36 -0.01 0.00 0.00 0.00 0.00 61.98 63.56 2h1b s VAL 152 Cb -0.12 -3.88 -0.23 0.00 0.00 0.00 0.00 36.38 32.15 2h1b s VAL 152 CO 0.14 -0.08 0.20 0.52 0.00 0.00 0.00 175.10 175.88 2h1b n VAL 153 N 5.16 1.66 -3.61 2.92 0.31 0.41 -0.36 118.33 124.82 2h1b n VAL 153 Ca 0.14 -0.66 -0.16 0.00 -0.01 0.00 0.00 64.34 63.65 2h1b n VAL 153 Cb 0.45 -1.50 -0.07 0.00 -0.91 0.00 0.00 33.84 31.80 2h1b n VAL 153 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 2h1b s LYS 154 N -2.55 0.90 -0.19 5.55 2.20 -1.21 -4.77 119.74 119.67 2h1b s LYS 154 Ca -0.24 0.25 0.00 0.00 -0.36 0.00 0.00 55.97 55.62 2h1b s LYS 154 Cb 0.07 0.42 0.01 0.00 -1.51 0.00 0.00 37.83 36.83 2h1b s LYS 154 CO 0.73 -0.25 -0.17 0.08 -0.36 0.00 0.00 175.35 175.38 2h1b s VAL 155 N -0.96 2.34 -0.21 4.02 1.01 -1.26 -1.13 120.40 124.21 2h1b s VAL 155 Ca -0.10 -0.85 -0.01 0.00 0.00 0.00 0.00 61.98 61.02 2h1b s VAL 155 Cb -0.02 -2.00 0.01 0.00 0.00 0.00 0.00 36.38 34.37 2h1b s VAL 155 CO 0.07 0.52 -0.11 -0.69 0.00 0.00 0.00 175.10 174.88 2h1b s VAL 156 N 1.31 2.71 -0.21 2.92 1.01 0.24 -4.97 120.40 123.41 2h1b s VAL 156 Ca 0.05 -0.79 0.02 0.00 0.00 0.00 0.00 61.98 61.26 2h1b s VAL 156 Cb -0.13 -2.23 0.02 0.00 0.00 0.00 0.00 36.38 34.04 2h1b s VAL 156 CO -0.11 0.43 0.67 0.35 0.00 0.00 0.00 175.10 176.45 2h1b n THR 157 N 4.69 0.24 -2.77 3.92 -2.24 -1.26 -0.64 114.28 116.22 2h1b n THR 157 Ca -0.19 -0.62 -0.21 0.00 -2.27 0.00 0.00 64.05 60.76 2h1b n THR 157 Cb 0.50 0.91 0.06 0.00 -2.10 0.00 0.00 70.33 69.70 2h1b n THR 157 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2h1b s GLY 158 N -0.36 1.80 0.64 3.38 0.00 -1.26 -4.82 107.32 106.69 2h1b s GLY 158 Ca 0.03 -1.73 -0.18 0.00 0.00 0.00 0.00 44.72 42.84 2h1b s GLY 158 CO 0.02 -1.31 1.23 -1.59 0.00 0.00 0.00 173.10 171.45 2h1b s THR 159 N -2.82 2.43 -0.09 0.90 2.01 -1.26 -5.00 115.64 111.81 2h1b s THR 159 Ca 0.61 0.25 0.03 0.00 0.31 0.00 0.00 61.69 62.89 2h1b s THR 159 Cb -0.07 -3.02 0.01 0.00 0.01 0.00 0.00 72.50 69.42 2h1b s THR 159 CO 0.40 -0.07 -0.16 -0.04 -0.69 0.00 0.00 174.62 174.06 2h1b s MET 160 N -3.49 2.20 0.78 4.92 1.00 -1.26 -5.12 119.30 118.33 2h1b s MET 160 Ca 0.78 -0.58 -0.11 0.00 0.00 0.00 0.00 55.69 55.78 2h1b s MET 160 Cb -0.32 -1.78 0.06 0.00 0.00 0.00 0.00 34.83 32.79 2h1b s MET 160 CO 0.38 0.04 1.10 0.95 0.00 0.00 0.00 175.02 177.48 2h1b s THR 161 N 0.68 3.15 0.31 2.05 -4.23 -1.26 -4.84 115.64 111.50 2h1b s THR 161 Ca -0.13 0.37 0.00 0.00 -1.18 0.00 0.00 61.69 60.75 2h1b s THR 161 Cb -0.16 -3.15 0.27 0.00 1.34 0.00 0.00 72.50 70.80 2h1b s THR 161 CO 0.04 -0.49 1.96 -0.08 -0.54 0.00 0.00 174.62 175.51 2h1b h GLU 162 N -1.03 0.99 -0.68 3.99 4.81 -1.97 -2.07 114.58 118.63 2h1b h GLU 162 Ca -0.47 -0.06 0.01 0.00 -0.13 0.00 0.00 59.36 58.71 2h1b h GLU 162 Cb 1.26 -0.22 -0.03 0.00 0.63 0.00 0.00 28.75 30.39 2h1b h GLU 162 CO 0.60 0.65 0.45 0.77 -0.73 0.00 0.00 179.01 180.75 2h1b h SER 163 N 1.02 0.78 -0.22 1.04 0.02 -1.98 -0.00 113.55 114.20 2h1b h SER 163 Ca 0.32 -0.02 0.03 0.00 -0.84 0.00 0.00 61.79 61.28 2h1b h SER 163 Cb 0.01 -0.19 -0.03 0.00 0.14 0.00 0.00 62.40 62.32 2h1b h SER 163 CO -0.09 0.56 0.03 0.24 -1.14 0.00 0.00 176.83 176.44 2h1b h MET 164 N 0.92 0.11 -0.60 3.45 2.86 -1.84 -0.87 114.93 118.96 2h1b h MET 164 Ca 0.25 -0.01 0.01 0.00 -2.06 0.00 0.00 59.70 57.89 2h1b h MET 164 Cb -0.11 -0.03 -0.03 0.00 0.06 0.00 0.00 31.60 31.50 2h1b h MET 164 CO -0.05 0.07 0.39 0.82 1.06 0.00 0.00 176.91 179.20 2h1b h ILE 165 N 0.12 1.14 -0.35 -1.22 2.04 -0.96 0.48 117.51 118.75 2h1b h ILE 165 Ca 0.10 -0.27 0.06 0.00 1.00 0.00 0.00 64.86 65.75 2h1b h ILE 165 Cb 0.11 0.27 -0.05 0.00 -0.74 0.00 0.00 36.82 36.40 2h1b h ILE 165 CO -0.14 0.15 0.02 -0.74 0.00 0.00 0.00 178.15 177.43 2h1b h HIS 166 N 0.80 0.02 -0.66 1.37 2.76 -0.71 -0.45 115.15 118.28 2h1b h HIS 166 Ca 0.23 0.02 -0.08 0.00 -2.20 0.00 0.00 60.37 58.34 2h1b h HIS 166 Cb -0.07 0.04 -0.03 0.00 1.55 0.00 0.00 27.41 28.91 2h1b h HIS 166 CO -0.04 -0.04 0.09 -0.44 -1.30 0.00 0.00 177.93 176.20 2h1b h ASP 167 N 0.12 1.07 -0.54 3.26 3.32 -0.58 -1.71 116.42 121.37 2h1b h ASP 167 Ca 0.17 -0.27 -0.04 0.00 0.02 0.00 0.00 57.03 56.91 2h1b h ASP 167 Cb 0.22 -0.29 -0.02 0.00 0.22 0.00 0.00 39.33 39.46 2h1b h ASP 167 CO -0.26 1.07 0.18 1.88 -1.72 0.00 0.00 179.24 180.39 2h1b h TYR 168 N 1.03 0.85 -0.40 4.55 0.05 -0.63 -1.26 116.97 121.18 2h1b h TYR 168 Ca 0.20 -0.08 -0.06 0.00 0.05 0.00 0.00 58.73 58.84 2h1b h TYR 168 Cb 0.47 -0.25 -0.02 0.00 1.01 0.00 0.00 36.73 37.94 2h1b h TYR 168 CO 0.04 0.72 -0.00 0.52 -1.05 0.00 0.00 178.16 178.38 2h1b h MET 169 N 0.74 0.64 -0.32 4.88 2.86 -0.90 -2.03 114.93 120.80 2h1b h MET 169 Ca 0.18 -0.15 -0.03 0.00 -2.06 0.00 0.00 59.70 57.63 2h1b h MET 169 Cb 0.26 -0.08 -0.02 0.00 0.06 0.00 0.00 31.60 31.82 2h1b h MET 169 CO -0.01 0.66 0.06 -0.91 1.06 0.00 0.00 176.91 177.78 2h1b h ASN 170 N 0.61 0.43 0.11 1.22 2.35 -0.90 -1.71 115.58 117.68 2h1b h ASN 170 Ca 0.13 -0.06 -0.02 0.00 -0.55 0.00 0.00 56.30 55.80 2h1b h ASN 170 Cb 0.39 -0.11 -0.00 0.00 0.05 0.00 0.00 38.32 38.64 2h1b h ASN 170 CO 0.01 0.45 -0.08 -0.07 -1.65 0.00 0.00 177.43 176.09 2h1b h LEU 171 N 0.46 0.00 -1.32 1.61 4.07 -0.48 -3.21 115.31 116.44 2h1b h LEU 171 Ca 0.11 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.07 2h1b h LEU 171 Cb 0.21 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.95 2h1b h LEU 171 CO -0.00 0.08 0.00 2.30 -1.08 0.00 0.00 178.44 179.74 2h1b n ILE 172 N -4.19 0.04 -2.48 1.22 -5.35 -1.05 -4.96 119.36 102.60 2h1b n ILE 172 Ca -0.03 -0.52 -0.38 0.00 -0.27 0.00 0.00 62.75 61.55 2h1b n ILE 172 Cb 0.16 1.12 -0.04 0.00 -1.74 0.00 0.00 39.64 39.14 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 -0.57 4.36 0.66 6.28 -2.85 -0.67 -3.09 119.74 123.86 2h1b s LYS 173 Ca 0.08 1.69 -0.17 0.00 -1.00 0.00 0.00 55.97 56.56 2h1b s LYS 173 Cb 0.06 -2.85 0.00 0.00 -2.06 0.00 0.00 37.83 32.98 2h1b s LYS 173 CO 0.08 -0.01 1.26 -1.25 0.10 0.00 0.00 175.35 175.53 2h1b s PRO 174 N -2.01 2.48 0.00 1.78 0.04 -1.26 -4.94 135.00 131.10 2h1b s PRO 174 Ca 0.52 1.95 0.00 0.00 0.04 0.00 0.00 61.00 63.51 2h1b s PRO 174 Cb -0.28 -1.85 0.00 0.00 0.04 0.00 0.00 34.50 32.41 2h1b s PRO 174 CO 0.35 -1.62 0.34 0.41 0.04 0.00 0.00 177.00 176.52