#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 5.09 0.23 1.61 0.01 -1.26 -4.72 113.70 114.67 2h1b s SER 40 Ca 0.00 0.75 -0.30 0.00 1.31 0.00 0.00 55.95 57.71 2h1b s SER 40 Cb 0.00 -1.49 -0.10 0.00 0.21 0.00 0.00 66.02 64.65 2h1b s SER 40 CO 0.00 -1.47 1.38 -1.81 0.41 0.00 0.00 173.24 171.75 2h1b s ASP 41 N -4.44 6.75 0.05 2.44 1.01 -1.26 -1.12 116.67 120.10 2h1b s ASP 41 Ca 0.58 2.56 -0.31 0.00 0.71 0.00 0.00 52.55 56.10 2h1b s ASP 41 Cb -0.11 -2.62 -0.07 0.00 1.01 0.00 0.00 42.92 41.13 2h1b s ASP 41 CO 0.47 -0.62 1.52 0.00 0.21 0.00 0.00 175.17 176.75 2h1b s ALA 42 N -0.02 3.64 0.07 5.23 0.00 -0.49 -4.82 121.76 125.36 2h1b s ALA 42 Ca 0.58 1.07 -0.35 0.00 0.00 0.00 0.00 51.96 53.25 2h1b s ALA 42 Cb -0.40 -3.63 -0.15 0.00 0.00 0.00 0.00 23.12 18.94 2h1b s ALA 42 CO 0.42 -0.96 1.56 -2.30 0.00 0.00 0.00 175.76 174.48 2h1b n PRO 43 N 5.27 1.76 -1.94 0.00 -0.02 -1.26 -4.96 135.00 133.86 2h1b n PRO 43 Ca 0.14 0.64 -0.34 0.00 -2.02 0.00 0.00 63.50 61.91 2h1b n PRO 43 Cb 0.42 -2.37 0.03 0.00 -0.02 0.00 0.00 33.50 31.56 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 1.45 5.21 0.17 2.55 2.47 -1.26 -5.00 114.94 120.54 2h1b s ASN 44 Ca 0.84 2.19 -0.15 0.00 0.42 0.00 0.00 52.86 56.16 2h1b s ASN 44 Cb -0.80 -2.58 0.02 0.00 -1.45 0.00 0.00 41.25 36.44 2h1b s ASN 44 CO 0.45 -1.57 0.43 0.72 -3.72 0.00 0.00 177.10 173.41 2h1b s PHE 45 N -1.94 0.02 -0.10 0.43 -0.12 -1.26 -5.00 117.98 110.01 2h1b s PHE 45 Ca 0.72 -0.37 0.00 0.00 -0.05 0.00 0.00 56.93 57.23 2h1b s PHE 45 Cb -0.25 0.24 0.02 0.00 -0.63 0.00 0.00 43.02 42.40 2h1b s PHE 45 CO 0.35 -0.82 -0.08 0.08 -0.05 0.00 0.00 175.22 174.70 2h1b s VAL 46 N -3.89 0.98 0.15 -2.49 1.01 -1.26 -1.55 120.40 113.35 2h1b s VAL 46 Ca 0.10 -0.29 0.01 0.00 0.00 0.00 0.00 61.98 61.80 2h1b s VAL 46 Cb 0.01 -0.99 -0.04 0.00 0.00 0.00 0.00 36.38 35.36 2h1b s VAL 46 CO -0.04 0.35 0.01 -0.76 0.00 0.00 0.00 175.10 174.66 2h1b s LEU 47 N 1.48 2.08 0.15 3.92 1.43 -0.57 -4.97 118.68 122.19 2h1b s LEU 47 Ca 0.00 -1.16 -0.17 0.00 -1.03 0.00 0.00 54.13 51.78 2h1b s LEU 47 Cb -0.13 0.05 -0.07 0.00 0.03 0.00 0.00 46.19 46.07 2h1b s LEU 47 CO -0.05 -0.60 0.60 -1.61 0.23 0.00 0.00 176.35 174.91 2h1b s GLU 48 N -3.94 4.11 0.90 1.70 2.02 -1.26 -0.14 118.70 122.09 2h1b s GLU 48 Ca 0.22 0.65 -0.13 0.00 0.02 0.00 0.00 54.97 55.74 2h1b s GLU 48 Cb 0.06 -2.99 0.18 0.00 0.10 0.00 0.00 34.13 31.48 2h1b s GLU 48 CO 0.02 0.50 1.25 0.16 0.02 0.00 0.00 175.26 177.20 2h1b s ASP 49 N -1.56 3.43 0.19 -0.19 1.47 -0.27 -1.15 116.67 118.59 2h1b s ASP 49 Ca 0.37 0.15 0.18 0.00 1.18 0.00 0.00 52.55 54.43 2h1b s ASP 49 Cb -0.17 -0.28 0.83 0.00 -0.34 0.00 0.00 42.92 42.96 2h1b s ASP 49 CO 0.20 -2.51 1.56 0.35 0.68 0.00 0.00 175.17 175.44 2h1b n THR 50 N -3.55 1.07 0.95 2.11 -2.24 -0.86 -1.34 114.28 110.43 2h1b n THR 50 Ca 0.15 0.39 0.12 0.00 -2.27 0.00 0.00 64.05 62.44 2h1b n THR 50 Cb 0.60 -1.31 0.28 0.00 -2.10 0.00 0.00 70.33 67.80 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 -2.00 2.52 0.00 3.42 3.02 -1.26 -4.96 115.26 116.00 2h1b n ASN 51 Ca 0.01 -1.83 0.00 0.00 -0.03 0.00 0.00 54.58 52.73 2h1b n ASN 51 Cb 0.14 -0.10 0.00 0.00 -0.61 0.00 0.00 39.78 39.21 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 1.31 1.02 3.75 7.41 0.00 -0.45 -5.06 105.19 113.17 2h1b n GLY 52 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 2h1b n GLY 52 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2h1b s LYS 53 N -0.39 4.38 0.12 1.61 1.02 -1.26 -4.73 119.74 120.49 2h1b s LYS 53 Ca 0.00 2.13 -0.31 0.00 0.02 0.00 0.00 55.97 57.81 2h1b s LYS 53 Cb 0.00 -3.14 -0.08 0.00 -0.52 0.00 0.00 37.83 34.09 2h1b s LYS 53 CO 0.00 -0.23 1.36 0.50 -0.92 0.00 0.00 175.35 176.06 2h1b s ARG 54 N -0.72 4.34 -0.17 1.68 3.52 -1.26 -1.12 118.95 125.22 2h1b s ARG 54 Ca 0.54 2.04 0.01 0.00 -0.13 0.00 0.00 55.73 58.19 2h1b s ARG 54 Cb -0.38 -3.25 0.02 0.00 -1.56 0.00 0.00 34.95 29.78 2h1b s ARG 54 CO 0.43 -0.39 -0.16 0.42 -0.81 0.00 0.00 175.30 174.79 2h1b s ILE 55 N 0.96 1.79 -0.18 4.11 -1.09 0.81 -4.93 121.20 122.66 2h1b s ILE 55 Ca 0.63 -0.80 -0.02 0.00 -2.23 0.00 0.00 60.65 58.22 2h1b s ILE 55 Cb -0.36 -1.66 -0.01 0.00 -1.58 0.00 0.00 42.46 38.85 2h1b s ILE 55 CO 0.31 0.46 -0.08 -0.70 -1.23 0.00 0.00 174.94 173.71 2h1b s GLU 56 N 1.39 3.39 0.28 2.79 2.12 -1.26 -1.52 118.70 125.90 2h1b s GLU 56 Ca 0.04 -0.64 -0.00 0.00 0.36 0.00 0.00 54.97 54.73 2h1b s GLU 56 Cb -0.13 -2.86 0.49 0.00 0.26 0.00 0.00 34.13 31.89 2h1b s GLU 56 CO -0.11 -0.02 1.88 1.25 -0.54 0.00 0.00 175.26 177.71 2h1b h LEU 57 N 7.51 0.97 -2.20 2.70 5.85 -1.67 -1.17 115.31 127.29 2h1b h LEU 57 Ca -0.36 0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.37 2h1b h LEU 57 Cb 1.18 -0.18 -0.00 0.00 0.37 0.00 0.00 40.66 42.02 2h1b h LEU 57 CO 0.59 0.59 -0.03 0.77 -0.34 0.00 0.00 178.44 180.02 2h1b h SER 58 N 1.08 0.00 0.50 1.25 4.64 -1.95 -0.43 113.55 118.65 2h1b h SER 58 Ca 0.44 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.76 2h1b h SER 58 Cb 0.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.36 2h1b h SER 58 CO -0.19 0.03 0.00 0.44 -0.87 0.00 0.00 176.83 176.24 2h1b h ASP 59 N 0.00 0.00 0.08 4.97 3.32 -1.61 -2.86 116.42 120.32 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 0.25 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.80 2h1b h ASP 59 CO 0.00 0.00 -0.11 0.18 -1.72 0.00 0.00 179.24 177.60 2h1b n LEU 60 N -2.43 1.43 -4.59 1.55 4.77 -0.17 -4.89 117.00 112.67 2h1b n LEU 60 Ca 0.00 -0.45 -0.43 0.00 -0.03 0.00 0.00 56.01 55.10 2h1b n LEU 60 Cb 0.17 -0.04 -0.01 0.00 -2.33 0.00 0.00 43.42 41.21 2h1b n LEU 60 CO 0.18 0.25 0.56 0.29 -1.33 0.00 0.00 177.39 177.34 2h1b n LYS 61 N -0.06 1.35 0.00 3.23 5.02 -1.08 -0.88 118.16 125.74 2h1b n LYS 61 Ca 0.16 0.48 0.00 0.00 -2.02 0.00 0.00 58.31 56.93 2h1b n LYS 61 Cb 0.37 -1.90 0.00 0.00 -0.02 0.00 0.00 35.03 33.48 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 1.22 2.70 3.32 0.72 0.00 -0.06 -5.05 105.19 108.04 2h1b n GLY 62 Ca 0.09 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.93 1.21 0.45 1.61 1.02 -0.06 -4.67 119.74 118.38 2h1b s LYS 63 Ca 0.00 -1.29 -0.22 0.00 0.02 0.00 0.00 55.97 54.48 2h1b s LYS 63 Cb 0.00 -1.39 -0.08 0.00 -0.52 0.00 0.00 37.83 35.83 2h1b s LYS 63 CO 0.00 0.31 1.07 0.20 -0.92 0.00 0.00 175.35 176.01 2h1b s GLY 64 N -2.28 2.66 -0.12 -3.33 0.00 -0.38 -3.35 107.32 100.51 2h1b s GLY 64 Ca 0.11 0.72 0.01 0.00 0.00 0.00 0.00 44.72 45.57 2h1b s GLY 64 CO 0.06 1.12 -0.13 0.14 0.00 0.00 0.00 173.10 174.28 2h1b s VAL 65 N -1.75 1.42 -0.62 1.40 1.01 -0.11 -0.74 120.40 121.01 2h1b s VAL 65 Ca 0.63 -0.57 -0.17 0.00 0.00 0.00 0.00 61.98 61.88 2h1b s VAL 65 Cb -0.22 -1.33 0.13 0.00 0.00 0.00 0.00 36.38 34.97 2h1b s VAL 65 CO 0.26 0.43 0.64 0.12 0.00 0.00 0.00 175.10 176.56 2h1b s PHE 66 N 1.25 3.23 -0.46 5.22 2.19 0.31 -1.14 117.98 128.59 2h1b s PHE 66 Ca -0.01 -1.29 -0.14 0.00 0.33 0.00 0.00 56.93 55.82 2h1b s PHE 66 Cb -0.14 -3.90 0.07 0.00 -1.31 0.00 0.00 43.02 37.74 2h1b s PHE 66 CO -0.05 -1.14 0.36 -1.17 1.83 0.00 0.00 175.22 175.05 2h1b s LEU 67 N 1.82 5.47 -0.21 6.12 2.96 -0.33 -1.38 118.68 133.12 2h1b s LEU 67 Ca 0.10 -1.33 -0.02 0.00 -0.22 0.00 0.00 54.13 52.65 2h1b s LEU 67 Cb -0.24 -2.14 0.00 0.00 0.50 0.00 0.00 46.19 44.32 2h1b s LEU 67 CO 0.02 -0.61 -0.09 0.21 -1.32 0.00 0.00 176.35 174.56 2h1b s ASN 68 N 2.42 3.95 -0.10 3.68 3.04 -0.61 -0.37 114.94 126.96 2h1b s ASN 68 Ca 0.04 -0.49 -0.17 0.00 0.04 0.00 0.00 52.86 52.28 2h1b s ASN 68 Cb -0.24 -1.66 -0.05 0.00 -1.54 0.00 0.00 41.25 37.77 2h1b s ASN 68 CO 0.06 -0.02 0.45 -0.36 -3.04 0.00 0.00 177.10 174.19 2h1b s PHE 69 N 1.42 3.55 0.22 0.43 0.40 -0.15 0.26 117.98 124.11 2h1b s PHE 69 Ca 0.05 0.88 -0.18 0.00 -0.60 0.00 0.00 56.93 57.08 2h1b s PHE 69 Cb -0.14 -2.48 0.03 0.00 0.51 0.00 0.00 43.02 40.93 2h1b s PHE 69 CO -0.06 0.26 0.57 1.67 0.70 0.00 0.00 175.22 178.36 2h1b s TRP 70 N 0.28 -0.12 0.00 0.36 1.48 -0.66 -3.18 118.94 117.11 2h1b s TRP 70 Ca 0.25 -0.24 -0.11 0.00 -1.06 0.00 0.00 56.10 54.94 2h1b s TRP 70 Cb -0.15 0.45 0.01 0.00 -1.16 0.00 0.00 33.47 32.62 2h1b s TRP 70 CO 0.10 -0.99 0.22 0.20 -4.06 0.00 0.00 176.95 172.42 2h1b s GLY 71 N -2.89 -0.04 0.57 3.67 0.00 -1.26 -0.86 107.32 106.52 2h1b s GLY 71 Ca 0.10 0.02 0.36 0.00 0.00 0.00 0.00 44.72 45.20 2h1b s GLY 71 CO -0.00 -0.16 2.07 -0.91 0.00 0.00 0.00 173.10 174.10 2h1b h THR 72 N 3.94 0.00 -0.00 0.90 1.35 -1.99 -2.38 112.91 114.74 2h1b h THR 72 Ca -0.31 -0.38 0.00 0.00 -0.55 0.00 0.00 66.41 65.17 2h1b h THR 72 Cb 1.19 1.37 0.00 0.00 -1.73 0.00 0.00 68.15 68.98 2h1b h THR 72 CO 0.42 0.00 -0.13 -2.67 -0.25 0.00 0.00 175.52 172.89 2h1b n TRP 73 N -3.06 0.00 -3.52 4.73 4.27 -1.26 -4.80 117.44 113.80 2h1b n TRP 73 Ca -0.00 0.00 -0.42 0.00 -3.89 0.00 0.00 57.50 53.19 2h1b n TRP 73 Cb 0.25 -0.39 -0.10 0.00 -1.36 0.00 0.00 31.31 29.71 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 8.55 0.84 -0.09 0.00 4.57 -1.87 -2.04 114.58 124.53 2h1b h GLU 75 Ca -0.26 -0.21 0.03 0.00 -1.18 0.00 0.00 59.36 57.74 2h1b h GLU 75 Cb 1.10 -0.11 -0.00 0.00 -0.16 0.00 0.00 28.75 29.59 2h1b h GLU 75 CO 0.75 0.81 0.09 -1.35 -1.18 0.00 0.00 179.01 178.13 2h1b h PRO 76 N 0.73 0.00 -0.06 0.92 0.11 -1.93 0.91 132.00 132.68 2h1b h PRO 76 Ca 0.16 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 66.23 2h1b h PRO 76 Cb 0.36 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.47 2h1b h PRO 76 CO 0.00 0.00 -0.13 0.00 -0.21 0.00 0.00 178.00 177.67 2h1b h LYS 78 N -0.31 0.81 -0.77 0.00 1.57 -0.83 -2.86 116.57 114.17 2h1b h LYS 78 Ca 0.00 -0.15 0.08 0.00 -1.87 0.00 0.00 60.65 58.71 2h1b h LYS 78 Cb 0.72 -0.13 -0.05 0.00 0.08 0.00 0.00 32.23 32.85 2h1b h LYS 78 CO 0.03 0.71 0.50 -0.22 -0.57 0.00 0.00 179.45 179.90 2h1b h LYS 79 N 0.78 0.75 -0.01 3.15 3.64 -0.90 -1.13 116.57 122.85 2h1b h LYS 79 Ca 0.18 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.51 2h1b h LYS 79 Cb 0.24 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 31.89 2h1b h LYS 79 CO -0.01 0.50 -0.10 0.00 -2.27 0.00 0.00 179.45 177.57 2h1b n GLN 80 N -4.49 0.98 0.01 1.90 10.64 -1.08 -4.28 117.38 121.06 2h1b n GLN 80 Ca 0.12 -0.42 -0.12 0.00 -1.83 0.00 0.00 57.00 54.74 2h1b n GLN 80 Cb 0.26 -1.49 -0.07 0.00 -0.86 0.00 0.00 30.24 28.08 2h1b n GLN 80 CO 0.00 0.00 0.00 0.74 -1.83 0.00 0.00 177.06 175.97 2h1b h PHE 81 N 1.04 0.06 -0.64 2.61 -1.00 -1.17 -0.27 116.94 117.57 2h1b h PHE 81 Ca 0.00 -0.01 0.03 0.00 2.81 0.00 0.00 57.97 60.81 2h1b h PHE 81 Cb 0.38 -0.02 -0.04 0.00 3.61 0.00 0.00 35.95 39.88 2h1b h PHE 81 CO 0.00 0.22 0.42 -1.35 -1.61 0.00 0.00 178.31 175.99 2h1b h PRO 82 N -0.12 0.73 -0.36 1.51 0.11 -1.74 0.11 132.00 132.23 2h1b h PRO 82 Ca 0.01 -0.04 -0.04 0.00 0.11 0.00 0.00 66.00 66.04 2h1b h PRO 82 Cb 0.18 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 31.12 2h1b h PRO 82 CO -0.00 0.48 0.08 1.88 -0.21 0.00 0.00 178.00 180.23 2h1b h TYR 83 N 0.75 0.63 -0.39 0.65 0.05 -1.71 -1.32 116.97 115.63 2h1b h TYR 83 Ca 0.26 -0.08 0.01 0.00 0.05 0.00 0.00 58.73 58.97 2h1b h TYR 83 Cb 0.09 -0.17 -0.02 0.00 1.01 0.00 0.00 36.73 37.63 2h1b h TYR 83 CO -0.00 0.63 0.25 0.52 -1.05 0.00 0.00 178.16 178.50 2h1b h MET 84 N 0.44 0.49 -0.68 4.88 2.86 -0.65 -1.85 114.93 120.42 2h1b h MET 84 Ca 0.11 -0.03 -0.04 0.00 -2.06 0.00 0.00 59.70 57.69 2h1b h MET 84 Cb 0.33 -0.11 -0.03 0.00 0.06 0.00 0.00 31.60 31.85 2h1b h MET 84 CO 0.00 0.32 0.27 0.00 1.06 0.00 0.00 176.91 178.57 2h1b h ALA 85 N 1.15 0.88 -0.37 6.32 0.00 -0.82 0.70 119.26 127.11 2h1b h ALA 85 Ca 0.15 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 2h1b h ALA 85 Cb -0.04 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.47 2h1b h ALA 85 CO -0.04 0.49 0.13 -0.97 0.00 0.00 0.00 179.25 178.86 2h1b h ASN 86 N 0.96 0.53 0.02 0.00 -1.24 -1.11 -2.56 115.58 112.17 2h1b h ASN 86 Ca 0.23 -0.19 -0.11 0.00 0.71 0.00 0.00 56.30 56.94 2h1b h ASN 86 Cb 0.20 -0.14 -0.01 0.00 0.73 0.00 0.00 38.32 39.10 2h1b h ASN 86 CO -0.02 0.57 -0.35 1.56 -1.29 0.00 0.00 177.43 177.91 2h1b h GLN 87 N 0.46 0.45 -0.48 6.67 1.08 -1.17 -2.86 115.11 119.26 2h1b h GLN 87 Ca 0.12 -0.20 -0.03 0.00 -1.45 0.00 0.00 58.65 57.08 2h1b h GLN 87 Cb 0.22 -0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 27.62 2h1b h GLN 87 CO -0.01 0.75 0.15 -0.92 -0.95 0.00 0.00 178.83 177.85 2h1b h TYR 88 N 0.39 0.71 -0.59 2.96 3.20 -0.75 0.54 116.97 123.42 2h1b h TYR 88 Ca 0.04 -0.04 0.08 0.00 3.14 0.00 0.00 58.73 61.95 2h1b h TYR 88 Cb 0.80 -0.22 -0.04 0.00 1.54 0.00 0.00 36.73 38.82 2h1b h TYR 88 CO 0.03 0.58 0.40 0.87 -1.64 0.00 0.00 178.16 178.39 2h1b h LYS 89 N 0.69 0.49 0.06 1.82 1.57 -1.22 -1.09 116.57 118.88 2h1b h LYS 89 Ca 0.16 -0.03 -0.30 0.00 -1.87 0.00 0.00 60.65 58.61 2h1b h LYS 89 Cb 0.20 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.37 2h1b h LYS 89 CO -0.01 0.32 -1.62 0.45 -0.57 0.00 0.00 179.45 178.03 2h1b h HIS 90 N 0.50 0.22 0.00 -1.35 3.86 -1.22 -3.42 115.15 113.74 2h1b h HIS 90 Ca 0.26 -0.16 0.00 0.00 -1.16 0.00 0.00 60.37 59.31 2h1b h HIS 90 Cb 0.39 -0.01 0.00 0.00 1.06 0.00 0.00 27.41 28.85 2h1b h HIS 90 CO -0.00 1.25 -1.78 1.19 0.86 0.00 0.00 177.93 179.45 2h1b n PHE 91 N -3.28 0.00 -0.08 2.45 3.72 0.05 -4.45 117.46 115.88 2h1b n PHE 91 Ca -0.17 0.00 -0.07 0.00 -0.05 0.00 0.00 57.45 57.16 2h1b n PHE 91 Cb 1.04 -0.39 -0.01 0.00 -0.94 0.00 0.00 39.48 39.18 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 -0.20 0.00 -1.08 3.64 -1.30 0.49 116.57 118.12 2h1b h LYS 92 Ca 0.00 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 2h1b h LYS 92 Cb 0.80 0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.66 2h1b h LYS 92 CO 0.00 -0.13 0.00 -1.13 -2.27 0.00 0.00 179.45 175.92 2h1b n SER 93 N -5.38 0.00 -0.96 4.20 3.41 -1.26 -1.61 113.62 112.01 2h1b n SER 93 Ca 0.00 0.47 0.08 0.00 -0.26 0.00 0.00 58.87 59.17 2h1b n SER 93 Cb 0.30 -0.49 0.23 0.00 -0.26 0.00 0.00 64.21 63.99 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 -1.49 2.24 -1.27 4.33 6.02 0.12 -4.94 117.38 122.40 2h1b n GLN 94 Ca 0.04 -1.85 0.00 0.00 -0.01 0.00 0.00 57.00 55.18 2h1b n GLN 94 Cb 0.17 -1.42 0.00 0.00 1.02 0.00 0.00 30.24 30.01 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 0.51 3.45 1.08 0.00 -0.63 -4.21 105.19 106.66 2h1b n GLY 95 Ca 0.17 -0.88 -0.35 0.00 0.00 0.00 0.00 46.02 44.96 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 3.95 -0.02 1.61 1.01 -0.95 -1.25 120.40 122.74 2h1b s VAL 96 Ca 0.00 -0.32 0.01 0.00 0.00 0.00 0.00 61.98 61.67 2h1b s VAL 96 Cb 0.00 -2.78 -0.04 0.00 0.00 0.00 0.00 36.38 33.56 2h1b s VAL 96 CO 0.00 0.43 -0.00 -0.70 0.00 0.00 0.00 175.10 174.83 2h1b s GLU 97 N 0.98 2.81 -0.14 2.72 2.56 0.08 -3.82 118.70 123.89 2h1b s GLU 97 Ca 0.02 -0.58 -0.07 0.00 0.00 0.00 0.00 54.97 54.34 2h1b s GLU 97 Cb -0.14 -2.68 -0.04 0.00 2.00 0.00 0.00 34.13 33.26 2h1b s GLU 97 CO 0.02 0.64 0.11 0.42 -0.56 0.00 0.00 175.26 175.88 2h1b s ILE 98 N -1.04 5.22 -0.25 -3.70 1.01 -1.26 -0.53 121.20 120.65 2h1b s ILE 98 Ca 0.18 0.11 0.00 0.00 0.00 0.00 0.00 60.65 60.94 2h1b s ILE 98 Cb -0.11 -3.30 0.07 0.00 0.01 0.00 0.00 42.46 39.13 2h1b s ILE 98 CO 0.08 0.56 0.00 -0.69 0.00 0.00 0.00 174.94 174.90 2h1b s VAL 99 N -0.54 1.29 -0.58 2.92 1.01 -0.48 -3.97 120.40 120.06 2h1b s VAL 99 Ca 0.12 -1.25 -0.17 0.00 0.00 0.00 0.00 61.98 60.68 2h1b s VAL 99 Cb -0.12 -1.72 0.12 0.00 0.00 0.00 0.00 36.38 34.66 2h1b s VAL 99 CO 0.02 -0.29 0.60 0.00 0.00 0.00 0.00 175.10 175.44 2h1b s ALA 100 N 1.47 3.56 -0.55 5.51 0.00 -0.44 -1.57 121.76 129.76 2h1b s ALA 100 Ca -0.00 -2.44 -0.27 0.00 0.00 0.00 0.00 51.96 49.24 2h1b s ALA 100 Cb -0.18 -3.40 0.03 0.00 0.00 0.00 0.00 23.12 19.57 2h1b s ALA 100 CO -0.10 -2.18 1.11 0.08 0.00 0.00 0.00 175.76 174.67 2h1b s VAL 101 N 2.02 4.16 0.02 0.00 1.01 0.14 -1.43 120.40 126.32 2h1b s VAL 101 Ca 0.07 0.83 -0.30 0.00 0.00 0.00 0.00 61.98 62.58 2h1b s VAL 101 Cb -0.27 -4.65 -0.04 0.00 0.00 0.00 0.00 36.38 31.42 2h1b s VAL 101 CO 0.04 -1.20 1.14 0.21 0.00 0.00 0.00 175.10 175.29 2h1b s ASN 102 N 2.79 7.15 -0.73 3.32 3.84 0.50 -1.66 114.94 130.15 2h1b s ASN 102 Ca 0.41 1.88 -0.21 0.00 0.21 0.00 0.00 52.86 55.15 2h1b s ASN 102 Cb -0.09 -2.57 0.09 0.00 -0.55 0.00 0.00 41.25 38.14 2h1b s ASN 102 CO 0.26 -0.44 0.96 -0.69 -2.79 0.00 0.00 177.10 174.40 2h1b s VAL 103 N 1.31 4.54 -0.04 -5.21 1.01 -0.04 -1.09 120.40 120.88 2h1b s VAL 103 Ca 0.56 -0.84 0.00 0.00 0.00 0.00 0.00 61.98 61.70 2h1b s VAL 103 Cb -0.26 -4.68 0.00 0.00 0.00 0.00 0.00 36.38 31.44 2h1b s VAL 103 CO 0.27 -1.41 0.00 0.61 0.00 0.00 0.00 175.10 174.57 2h1b n GLY 104 N 5.36 0.28 3.93 4.51 0.00 -0.73 -4.87 105.19 113.67 2h1b n GLY 104 Ca 0.03 -0.02 -0.25 0.00 0.00 0.00 0.00 46.02 45.78 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 -1.09 3.45 0.53 1.61 2.02 -1.26 -4.91 118.70 119.05 2h1b s GLU 105 Ca 0.00 -0.11 -0.19 0.00 0.02 0.00 0.00 54.97 54.68 2h1b s GLU 105 Cb 0.00 -2.52 -0.06 0.00 0.10 0.00 0.00 34.13 31.65 2h1b s GLU 105 CO 0.00 -0.06 1.09 -1.54 0.02 0.00 0.00 175.26 174.76 2h1b s SER 106 N -4.09 5.93 0.20 -0.19 1.04 -1.26 -4.86 113.70 110.48 2h1b s SER 106 Ca 0.44 2.04 -0.12 0.00 0.48 0.00 0.00 55.95 58.79 2h1b s SER 106 Cb -0.10 -2.57 0.24 0.00 0.10 0.00 0.00 66.02 63.69 2h1b s SER 106 CO 0.40 -1.07 1.70 0.50 0.98 0.00 0.00 173.24 175.75 2h1b h LYS 107 N 1.21 0.20 -0.22 4.02 3.64 -1.99 -1.00 116.57 122.43 2h1b h LYS 107 Ca -0.49 -0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 58.85 2h1b h LYS 107 Cb 1.24 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 33.01 2h1b h LYS 107 CO 0.58 0.13 0.03 0.82 -2.27 0.00 0.00 179.45 178.73 2h1b h ILE 108 N 0.20 1.24 -0.53 2.00 2.04 -1.98 0.40 117.51 120.88 2h1b h ILE 108 Ca 0.28 -0.80 0.06 0.00 1.00 0.00 0.00 64.86 65.40 2h1b h ILE 108 Cb 0.41 1.32 -0.05 0.00 -0.74 0.00 0.00 36.82 37.77 2h1b h ILE 108 CO -0.39 0.25 0.24 0.00 0.00 0.00 0.00 178.15 178.25 2h1b h ALA 109 N 0.83 0.68 -0.29 1.87 0.00 -1.90 -0.26 119.26 120.19 2h1b h ALA 109 Ca 0.07 0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.93 2h1b h ALA 109 Cb 0.35 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 2h1b h ALA 109 CO 0.01 -0.13 -0.15 0.28 0.00 0.00 0.00 179.25 179.26 2h1b h VAL 110 N 0.47 1.30 -0.06 0.00 2.07 -0.96 -1.88 116.25 117.19 2h1b h VAL 110 Ca 0.24 -1.25 -0.00 0.00 0.82 0.00 0.00 66.70 66.51 2h1b h VAL 110 Cb 0.20 1.49 -0.00 0.00 -1.52 0.00 0.00 31.29 31.46 2h1b h VAL 110 CO -0.20 0.40 0.03 -0.74 0.02 0.00 0.00 177.57 177.08 2h1b h HIS 111 N 0.36 0.08 -0.44 1.57 6.17 -0.72 -0.85 115.15 121.32 2h1b h HIS 111 Ca 0.06 -0.00 0.08 0.00 0.71 0.00 0.00 60.37 61.22 2h1b h HIS 111 Cb 0.67 -0.03 -0.08 0.00 2.52 0.00 0.00 27.41 30.50 2h1b h HIS 111 CO 0.06 0.15 -0.04 -0.91 0.71 0.00 0.00 177.93 177.90 2h1b h ASN 112 N -0.01 -0.26 -0.22 3.26 -0.26 -1.06 -1.46 115.58 115.58 2h1b h ASN 112 Ca 0.02 0.11 0.01 0.00 -0.56 0.00 0.00 56.30 55.88 2h1b h ASN 112 Cb 0.10 0.21 -0.01 0.00 -1.06 0.00 0.00 38.32 37.55 2h1b h ASN 112 CO -0.00 -0.09 0.14 0.15 -1.06 0.00 0.00 177.43 176.57 2h1b h PHE 113 N 0.07 0.26 -0.51 1.19 3.57 -1.07 -1.57 116.94 118.88 2h1b h PHE 113 Ca 0.21 0.01 0.10 0.00 3.53 0.00 0.00 57.97 61.82 2h1b h PHE 113 Cb 0.32 -0.08 -0.09 0.00 2.79 0.00 0.00 35.95 38.89 2h1b h PHE 113 CO -0.32 0.16 -0.03 0.52 -2.23 0.00 0.00 178.31 176.41 2h1b h MET 114 N 0.28 0.08 0.10 1.11 2.86 -0.80 0.15 114.93 118.72 2h1b h MET 114 Ca 0.08 -0.01 -0.00 0.00 -2.06 0.00 0.00 59.70 57.71 2h1b h MET 114 Cb -0.02 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 31.62 2h1b h MET 114 CO -0.03 0.06 -0.05 0.87 1.06 0.00 0.00 176.91 178.82 2h1b h LYS 115 N 0.09 -0.13 -0.44 1.72 1.57 -1.08 -1.34 116.57 116.96 2h1b h LYS 115 Ca 0.26 0.01 -0.07 0.00 -1.87 0.00 0.00 60.65 58.98 2h1b h LYS 115 Cb 0.39 0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.71 2h1b h LYS 115 CO -0.45 0.01 -0.01 0.77 -0.57 0.00 0.00 179.45 179.20 2h1b h SER 116 N -0.25 0.69 0.36 0.86 0.02 -1.03 -3.04 113.55 111.16 2h1b h SER 116 Ca -0.01 -0.16 0.00 0.00 -0.84 0.00 0.00 61.79 60.78 2h1b h SER 116 Cb 0.20 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 62.56 2h1b h SER 116 CO 0.02 0.77 -0.20 0.00 -1.14 0.00 0.00 176.83 176.28 2h1b n TYR 117 N -4.22 0.00 -1.70 3.45 9.36 0.51 -4.95 117.16 119.61 2h1b n TYR 117 Ca 0.02 0.00 -0.03 0.00 3.32 0.00 0.00 57.90 61.21 2h1b n TYR 117 Cb 0.29 -0.18 -0.01 0.00 -0.63 0.00 0.00 39.34 38.82 2h1b n TYR 117 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 2h1b n GLY 118 N 1.34 0.38 3.73 2.98 0.00 -0.64 -4.96 105.19 108.01 2h1b n GLY 118 Ca 0.12 -0.83 -0.42 0.00 0.00 0.00 0.00 46.02 44.89 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 -2.13 2.03 -0.04 1.61 1.01 -0.60 -4.91 120.40 117.36 2h1b s VAL 119 Ca 0.00 0.02 0.06 0.00 0.00 0.00 0.00 61.98 62.06 2h1b s VAL 119 Cb 0.00 -3.01 0.09 0.00 0.00 0.00 0.00 36.38 33.46 2h1b s VAL 119 CO 0.00 0.00 1.03 -0.46 0.00 0.00 0.00 175.10 175.67 2h1b n ASN 120 N 3.44 1.99 -4.35 3.32 6.94 -1.26 -4.88 115.26 120.46 2h1b n ASN 120 Ca 0.14 -2.31 -0.18 0.00 -0.02 0.00 0.00 54.58 52.21 2h1b n ASN 120 Cb 0.36 -0.14 -0.10 0.00 -2.36 0.00 0.00 39.78 37.54 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 -1.54 1.69 0.25 -2.53 -0.12 -1.26 -5.05 117.98 109.42 2h1b s PHE 121 Ca 0.10 -0.72 -0.30 0.00 -0.05 0.00 0.00 56.93 55.97 2h1b s PHE 121 Cb 0.09 -0.90 -0.10 0.00 -0.63 0.00 0.00 43.02 41.48 2h1b s PHE 121 CO 0.01 0.21 1.47 -2.14 -0.05 0.00 0.00 175.22 174.72 2h1b s PRO 122 N -3.73 4.24 -0.09 1.99 0.02 -1.25 -4.95 135.00 131.22 2h1b s PRO 122 Ca 0.25 2.34 0.03 0.00 0.02 0.00 0.00 61.00 63.65 2h1b s PRO 122 Cb 0.03 -3.10 0.01 0.00 0.02 0.00 0.00 34.50 31.45 2h1b s PRO 122 CO 0.08 -0.46 -0.19 0.08 -0.33 0.00 0.00 177.00 176.18 2h1b s VAL 123 N 0.05 1.68 0.15 3.83 1.01 -1.26 -1.32 120.40 124.54 2h1b s VAL 123 Ca 0.60 -0.79 0.09 0.00 0.00 0.00 0.00 61.98 61.88 2h1b s VAL 123 Cb -0.43 -1.49 -0.04 0.00 0.00 0.00 0.00 36.38 34.43 2h1b s VAL 123 CO 0.43 0.48 -0.12 0.68 0.00 0.00 0.00 175.10 176.57 2h1b s VAL 124 N 0.57 3.11 -0.47 2.92 -7.23 -0.52 -2.02 120.40 116.76 2h1b s VAL 124 Ca -0.15 -1.56 -0.12 0.00 -1.81 0.00 0.00 61.98 58.34 2h1b s VAL 124 Cb -0.17 -2.50 0.10 0.00 0.56 0.00 0.00 36.38 34.38 2h1b s VAL 124 CO 0.05 -0.02 0.37 -0.76 -0.31 0.00 0.00 175.10 174.44 2h1b s LEU 125 N -2.54 5.66 -1.44 1.32 1.43 -0.30 -0.37 118.68 122.44 2h1b s LEU 125 Ca 0.22 -1.66 -0.10 0.00 -1.03 0.00 0.00 54.13 51.56 2h1b s LEU 125 Cb -0.10 -2.09 0.05 0.00 0.03 0.00 0.00 46.19 44.08 2h1b s LEU 125 CO 0.13 -0.68 2.38 -0.67 0.23 0.00 0.00 176.35 177.74 2h1b n ASP 126 N 5.05 6.26 -0.25 2.29 2.03 -0.25 -4.58 116.55 127.11 2h1b n ASP 126 Ca -0.11 -2.88 0.06 0.00 0.52 0.00 0.00 54.79 52.38 2h1b n ASP 126 Cb 0.42 -1.54 0.30 0.00 -0.72 0.00 0.00 41.12 39.58 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 3.41 1.03 -0.26 5.18 1.35 -1.89 -1.30 112.91 120.43 2h1b h THR 127 Ca 0.64 -0.30 0.00 0.00 -0.55 0.00 0.00 66.41 66.20 2h1b h THR 127 Cb 0.48 0.07 0.00 0.00 -1.73 0.00 0.00 68.15 66.96 2h1b h THR 127 CO 1.73 0.16 0.00 -0.90 -0.25 0.00 0.00 175.52 176.26 2h1b n ASP 128 N -4.49 3.47 -0.33 5.36 5.68 -1.26 -4.32 116.55 120.65 2h1b n ASP 128 Ca 0.13 -2.72 -0.04 0.00 -0.50 0.00 0.00 54.79 51.66 2h1b n ASP 128 Cb 0.23 -0.43 -0.02 0.00 -1.14 0.00 0.00 41.12 39.76 2h1b n ASP 128 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 2h1b n ARG 129 N -0.30 -0.98 0.04 0.11 1.74 -0.57 -4.90 116.66 111.80 2h1b n ARG 129 Ca 0.18 0.51 -0.04 0.00 -0.77 0.00 0.00 57.85 57.73 2h1b n ARG 129 Cb 0.73 -4.39 0.18 0.00 -1.02 0.00 0.00 32.46 27.96 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 0.28 0.41 0.05 5.56 4.20 -1.93 -1.07 115.11 122.61 2h1b h GLN 130 Ca -0.09 -0.18 -0.19 0.00 0.06 0.00 0.00 58.65 58.25 2h1b h GLN 130 Cb 0.62 -0.01 0.02 0.00 0.30 0.00 0.00 27.48 28.41 2h1b h GLN 130 CO 0.13 0.71 -0.78 0.28 -0.67 0.00 0.00 178.83 178.51 2h1b h VAL 131 N 0.35 1.42 -0.67 -0.54 2.07 -1.91 -1.77 116.25 115.20 2h1b h VAL 131 Ca 0.04 -2.26 0.10 0.00 0.82 0.00 0.00 66.70 65.40 2h1b h VAL 131 Cb 0.79 2.76 -0.12 0.00 -1.52 0.00 0.00 31.29 33.20 2h1b h VAL 131 CO 0.06 0.66 -0.40 0.25 0.02 0.00 0.00 177.57 178.17 2h1b h LEU 132 N -0.09 -1.39 -0.42 2.57 5.85 -1.92 -0.21 115.31 119.70 2h1b h LEU 132 Ca -0.11 0.25 0.05 0.00 0.84 0.00 0.00 57.88 58.91 2h1b h LEU 132 Cb 1.51 0.67 -0.04 0.00 0.37 0.00 0.00 40.66 43.16 2h1b h LEU 132 CO 0.15 -0.31 0.16 0.44 -0.34 0.00 0.00 178.44 178.54 2h1b h ASP 133 N -0.16 0.19 -0.00 1.25 3.32 -1.15 -2.23 116.42 117.64 2h1b h ASP 133 Ca 0.23 0.04 -0.02 0.00 0.02 0.00 0.00 57.03 57.29 2h1b h ASP 133 Cb 0.56 0.02 -0.01 0.00 0.22 0.00 0.00 39.33 40.12 2h1b h ASP 133 CO -0.75 0.15 -0.05 0.00 -1.72 0.00 0.00 179.24 176.87 2h1b h ALA 134 N 1.26 1.74 -0.12 3.45 0.00 -0.67 -2.05 119.26 122.88 2h1b h ALA 134 Ca 0.19 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.99 2h1b h ALA 134 Cb 0.16 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.90 2h1b h ALA 134 CO -0.18 0.20 0.00 0.66 0.00 0.00 0.00 179.25 179.93 2h1b n TYR 135 N -4.40 0.14 -3.49 0.00 4.02 -0.15 -4.91 117.16 108.37 2h1b n TYR 135 Ca -0.01 -0.07 -0.26 0.00 -0.01 0.00 0.00 57.90 57.55 2h1b n TYR 135 Cb 0.18 0.00 0.02 0.00 -0.02 0.00 0.00 39.34 39.52 2h1b n TYR 135 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 176.86 175.60 2h1b n ASP 136 N 0.36 -4.94 -4.75 7.72 8.00 -0.77 -4.93 116.55 117.24 2h1b n ASP 136 Ca 0.17 -0.51 -0.41 0.00 0.71 0.00 0.00 54.79 54.75 2h1b n ASP 136 Cb 0.36 -3.99 -0.04 0.00 -0.02 0.00 0.00 41.12 37.44 2h1b n ASP 136 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2h1b s VAL 137 N -3.15 3.55 0.00 2.53 1.01 -1.05 -5.00 120.40 118.28 2h1b s VAL 137 Ca 0.49 1.43 0.00 0.00 0.00 0.00 0.00 61.98 63.89 2h1b s VAL 137 Cb -0.24 -3.91 0.00 0.00 0.00 0.00 0.00 36.38 32.23 2h1b s VAL 137 CO 0.60 0.29 0.00 -0.24 0.00 0.00 0.00 175.10 175.75 2h1b n SER 138 N 1.82 0.00 -4.86 3.32 2.88 -1.26 -4.92 113.62 110.60 2h1b n SER 138 Ca 0.01 0.00 -0.31 0.00 -1.33 0.00 0.00 58.87 57.24 2h1b n SER 138 Cb 0.45 0.00 0.02 0.00 -0.75 0.00 0.00 64.21 63.93 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 0.11 -1.46 0.04 -1.26 -5.05 135.00 130.83 2h1b s PRO 139 Ca 0.00 0.81 0.05 0.00 0.04 0.00 0.00 61.00 61.89 2h1b s PRO 139 Cb 0.00 -2.06 -0.04 0.00 0.04 0.00 0.00 34.50 32.44 2h1b s PRO 139 CO 0.00 -0.69 0.04 -0.51 0.04 0.00 0.00 177.00 175.88 2h1b s LEU 140 N -5.24 3.59 0.57 -3.56 1.43 -1.26 -3.80 118.68 110.40 2h1b s LEU 140 Ca 0.56 -0.16 -0.18 0.00 -1.03 0.00 0.00 54.13 53.32 2h1b s LEU 140 Cb -0.12 -2.28 -0.05 0.00 0.03 0.00 0.00 46.19 43.78 2h1b s LEU 140 CO 0.54 0.14 1.10 -2.16 0.23 0.00 0.00 176.35 176.20 2h1b s PRO 141 N -2.57 3.29 -0.03 1.29 0.04 -1.26 -4.75 135.00 131.01 2h1b s PRO 141 Ca 0.28 1.48 0.05 0.00 0.04 0.00 0.00 61.00 62.85 2h1b s PRO 141 Cb -0.11 -2.01 -0.01 0.00 0.04 0.00 0.00 34.50 32.41 2h1b s PRO 141 CO 0.20 -0.88 -0.18 0.99 0.04 0.00 0.00 177.00 177.18 2h1b s THR 142 N -2.01 1.44 -0.07 1.26 2.01 -1.19 -1.30 115.64 115.78 2h1b s THR 142 Ca 0.70 -0.75 0.03 0.00 0.31 0.00 0.00 61.69 61.98 2h1b s THR 142 Cb -0.21 -1.22 0.01 0.00 0.01 0.00 0.00 72.50 71.09 2h1b s THR 142 CO 0.30 0.41 -0.17 -0.89 -0.69 0.00 0.00 174.62 173.59 2h1b s THR 143 N -0.20 1.47 -0.22 -0.82 2.01 0.20 -0.97 115.64 117.11 2h1b s THR 143 Ca 0.02 -0.69 -0.09 0.00 0.31 0.00 0.00 61.69 61.24 2h1b s THR 143 Cb -0.09 -1.29 -0.04 0.00 0.01 0.00 0.00 72.50 71.08 2h1b s THR 143 CO 0.01 0.43 0.11 -0.36 -0.69 0.00 0.00 174.62 174.12 2h1b s PHE 144 N 0.42 3.25 -0.37 4.92 0.40 0.50 -0.70 117.98 126.41 2h1b s PHE 144 Ca -0.13 0.07 -0.14 0.00 -0.60 0.00 0.00 56.93 56.12 2h1b s PHE 144 Cb -0.15 -2.21 -0.00 0.00 0.51 0.00 0.00 43.02 41.17 2h1b s PHE 144 CO 0.05 0.02 0.29 -0.51 0.70 0.00 0.00 175.22 175.77 2h1b s LEU 145 N 0.94 4.75 -0.10 -0.37 2.01 0.31 -1.19 118.68 125.02 2h1b s LEU 145 Ca 0.06 -0.58 0.01 0.00 0.01 0.00 0.00 54.13 53.63 2h1b s LEU 145 Cb -0.13 -2.19 -0.02 0.00 0.01 0.00 0.00 46.19 43.85 2h1b s LEU 145 CO 0.03 -0.35 -0.14 -0.63 1.01 0.00 0.00 176.35 176.27 2h1b s ILE 146 N 1.78 3.00 0.74 -0.59 1.01 -0.29 0.29 121.20 127.15 2h1b s ILE 146 Ca 0.07 -0.70 -0.10 0.00 0.00 0.00 0.00 60.65 59.92 2h1b s ILE 146 Cb -0.18 -2.22 0.06 0.00 0.01 0.00 0.00 42.46 40.12 2h1b s ILE 146 CO 0.11 0.55 1.09 0.54 0.00 0.00 0.00 174.94 177.23 2h1b s ASN 147 N -0.02 4.86 0.11 3.58 2.20 0.34 -0.93 114.94 125.08 2h1b s ASN 147 Ca -0.04 0.74 0.07 0.00 -0.94 0.00 0.00 52.86 52.69 2h1b s ASN 147 Cb -0.14 -1.38 0.37 0.00 -2.00 0.00 0.00 41.25 38.10 2h1b s ASN 147 CO 0.04 -1.64 1.19 -2.65 -2.94 0.00 0.00 177.10 171.10 2h1b n PRO 148 N -3.08 0.04 -0.05 3.55 -0.02 -1.21 -0.34 135.00 133.90 2h1b n PRO 148 Ca 0.07 0.52 0.12 0.00 -2.02 0.00 0.00 63.50 62.20 2h1b n PRO 148 Cb 0.60 -1.68 0.34 0.00 -0.02 0.00 0.00 33.50 32.74 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 -1.73 1.97 -1.38 -0.52 4.71 -1.26 -0.88 120.64 121.56 2h1b n GLU 149 Ca -0.00 -1.43 -0.02 0.00 -0.01 0.00 0.00 57.16 55.70 2h1b n GLU 149 Cb 0.04 -1.46 -0.00 0.00 -1.01 0.00 0.00 31.44 29.01 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 1.26 0.44 3.90 0.62 0.00 0.54 -5.01 105.19 106.93 2h1b n GLY 150 Ca 0.17 -0.95 -0.32 0.00 0.00 0.00 0.00 46.02 44.92 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 -2.80 3.41 -0.36 1.61 -0.14 -1.26 -1.39 119.74 118.81 2h1b s LYS 151 Ca 0.00 -0.39 -0.27 0.00 -1.36 0.00 0.00 55.97 53.95 2h1b s LYS 151 Cb 0.00 -3.05 0.02 0.00 -1.68 0.00 0.00 37.83 33.11 2h1b s LYS 151 CO 0.00 0.64 1.00 0.08 -0.76 0.00 0.00 175.35 176.31 2h1b s VAL 152 N -1.40 4.53 -0.05 3.17 1.01 -0.28 -0.50 120.40 126.87 2h1b s VAL 152 Ca 0.31 1.41 0.13 0.00 0.00 0.00 0.00 61.98 63.82 2h1b s VAL 152 Cb -0.13 -4.38 -0.14 0.00 0.00 0.00 0.00 36.38 31.73 2h1b s VAL 152 CO 0.23 -0.55 1.00 -0.37 0.00 0.00 0.00 175.10 175.40 2h1b h VAL 153 N 5.82 0.94 -1.74 2.92 -1.51 -0.49 -2.81 116.25 119.38 2h1b h VAL 153 Ca -0.22 -2.56 0.03 0.00 -1.23 0.00 0.00 66.70 62.72 2h1b h VAL 153 Cb 1.07 2.40 -0.24 0.00 -2.13 0.00 0.00 31.29 32.39 2h1b h VAL 153 CO 1.01 0.53 0.35 -0.75 -1.23 0.00 0.00 177.57 177.49 2h1b s LYS 154 N -2.79 0.65 -0.12 5.19 2.36 -1.18 -4.80 119.74 119.05 2h1b s LYS 154 Ca -0.01 0.65 0.02 0.00 -2.55 0.00 0.00 55.97 54.08 2h1b s LYS 154 Cb 0.09 0.31 0.01 0.00 -1.05 0.00 0.00 37.83 37.19 2h1b s LYS 154 CO 0.81 -0.10 -0.19 0.08 1.55 0.00 0.00 175.35 177.49 2h1b s VAL 155 N 0.04 1.80 -0.15 4.02 1.01 -1.26 -0.53 120.40 125.34 2h1b s VAL 155 Ca 0.01 -0.83 0.02 0.00 0.00 0.00 0.00 61.98 61.18 2h1b s VAL 155 Cb -0.04 -1.61 0.01 0.00 0.00 0.00 0.00 36.38 34.73 2h1b s VAL 155 CO -0.02 0.50 -0.20 -0.69 0.00 0.00 0.00 175.10 174.69 2h1b s VAL 156 N 0.89 2.19 0.02 2.92 1.01 0.13 -4.99 120.40 122.57 2h1b s VAL 156 Ca -0.07 -0.93 -0.01 0.00 0.00 0.00 0.00 61.98 60.97 2h1b s VAL 156 Cb -0.15 -1.89 -0.04 0.00 0.00 0.00 0.00 36.38 34.29 2h1b s VAL 156 CO -0.02 0.54 0.19 0.42 0.00 0.00 0.00 175.10 176.24 2h1b s THR 157 N 0.90 5.40 0.00 3.92 -4.23 -1.26 -0.63 115.64 119.74 2h1b s THR 157 Ca -0.05 -0.27 0.00 0.00 -1.18 0.00 0.00 61.69 60.20 2h1b s THR 157 Cb -0.15 -3.57 0.00 0.00 1.34 0.00 0.00 72.50 70.12 2h1b s THR 157 CO -0.03 0.24 0.00 0.61 -0.54 0.00 0.00 174.62 174.90 2h1b n GLY 158 N 0.66 -1.19 3.77 3.99 0.00 -0.42 -4.93 105.19 107.07 2h1b n GLY 158 Ca -0.08 -1.62 -0.41 0.00 0.00 0.00 0.00 46.02 43.91 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 -1.93 2.28 -0.11 2.61 -4.23 -1.26 -4.71 115.64 108.27 2h1b s THR 159 Ca 0.00 0.27 -0.06 0.00 -1.18 0.00 0.00 61.69 60.72 2h1b s THR 159 Cb 0.00 -3.17 -0.04 0.00 1.34 0.00 0.00 72.50 70.63 2h1b s THR 159 CO 0.00 0.06 0.11 -0.04 -0.54 0.00 0.00 174.62 174.21 2h1b s MET 160 N -1.65 3.36 0.74 3.99 1.00 -1.26 -5.08 119.30 120.41 2h1b s MET 160 Ca 0.54 -0.18 -0.11 0.00 0.00 0.00 0.00 55.69 55.94 2h1b s MET 160 Cb -0.45 -3.12 0.04 0.00 0.00 0.00 0.00 34.83 31.30 2h1b s MET 160 CO 0.57 0.76 1.08 0.95 0.00 0.00 0.00 175.02 178.38 2h1b s THR 161 N -0.99 3.57 0.34 2.05 -4.23 -1.26 -4.65 115.64 110.47 2h1b s THR 161 Ca 0.15 0.51 0.04 0.00 -1.18 0.00 0.00 61.69 61.21 2h1b s THR 161 Cb -0.12 -3.09 0.28 0.00 1.34 0.00 0.00 72.50 70.92 2h1b s THR 161 CO 0.04 -0.66 1.95 -0.08 -0.54 0.00 0.00 174.62 175.33 2h1b h GLU 162 N -0.96 0.83 -0.47 3.99 4.81 -1.95 -1.85 114.58 118.98 2h1b h GLU 162 Ca -0.44 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 58.73 2h1b h GLU 162 Cb 1.22 -0.19 -0.02 0.00 0.63 0.00 0.00 28.75 30.39 2h1b h GLU 162 CO 0.53 0.55 0.24 1.03 -0.73 0.00 0.00 179.01 180.63 2h1b h SER 163 N 0.86 0.60 -0.45 1.04 0.87 -1.98 0.09 113.55 114.59 2h1b h SER 163 Ca 0.32 -0.11 0.02 0.00 -1.23 0.00 0.00 61.79 60.79 2h1b h SER 163 Cb 0.18 -0.15 -0.03 0.00 -0.44 0.00 0.00 62.40 61.96 2h1b h SER 163 CO -0.11 0.55 0.26 0.24 -0.53 0.00 0.00 176.83 177.24 2h1b h MET 164 N 0.61 0.51 -0.29 2.24 2.86 -1.82 -1.30 114.93 117.74 2h1b h MET 164 Ca 0.16 -0.03 -0.01 0.00 -2.06 0.00 0.00 59.70 57.77 2h1b h MET 164 Cb 0.09 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 31.63 2h1b h MET 164 CO -0.02 0.34 0.16 0.82 1.06 0.00 0.00 176.91 179.26 2h1b h ILE 165 N 0.52 1.13 -0.18 -1.22 2.04 -0.99 -0.89 117.51 117.93 2h1b h ILE 165 Ca 0.18 -0.33 0.05 0.00 1.00 0.00 0.00 64.86 65.76 2h1b h ILE 165 Cb 0.03 0.82 -0.06 0.00 -0.74 0.00 0.00 36.82 36.87 2h1b h ILE 165 CO -0.09 0.13 -0.19 -0.74 0.00 0.00 0.00 178.15 177.25 2h1b h HIS 166 N 0.35 -0.50 -0.33 1.37 2.76 -0.82 -0.61 115.15 117.36 2h1b h HIS 166 Ca 0.10 0.03 -0.04 0.00 -2.20 0.00 0.00 60.37 58.26 2h1b h HIS 166 Cb 0.06 0.25 -0.01 0.00 1.55 0.00 0.00 27.41 29.26 2h1b h HIS 166 CO -0.03 -0.27 0.05 -0.44 -1.30 0.00 0.00 177.93 175.94 2h1b h ASP 167 N -0.22 0.53 -0.72 3.26 3.32 -0.94 -0.22 116.42 121.43 2h1b h ASP 167 Ca 0.11 -0.26 -0.06 0.00 0.02 0.00 0.00 57.03 56.84 2h1b h ASP 167 Cb 0.39 -0.14 -0.03 0.00 0.22 0.00 0.00 39.33 39.77 2h1b h ASP 167 CO -0.31 0.66 0.20 1.88 -1.72 0.00 0.00 179.24 179.95 2h1b h TYR 168 N 0.38 1.19 -0.53 4.55 0.05 -1.15 -1.13 116.97 120.33 2h1b h TYR 168 Ca 0.10 -0.13 -0.06 0.00 0.05 0.00 0.00 58.73 58.69 2h1b h TYR 168 Cb 0.36 -0.34 -0.02 0.00 1.01 0.00 0.00 36.73 37.73 2h1b h TYR 168 CO 0.02 0.95 0.10 0.52 -1.05 0.00 0.00 178.16 178.71 2h1b h MET 169 N 1.09 0.82 -0.25 4.88 2.86 -0.94 -0.94 114.93 122.45 2h1b h MET 169 Ca 0.23 -0.18 -0.07 0.00 -2.06 0.00 0.00 59.70 57.62 2h1b h MET 169 Cb 0.34 -0.12 -0.01 0.00 0.06 0.00 0.00 31.60 31.87 2h1b h MET 169 CO -0.00 0.76 -0.15 -0.97 1.06 0.00 0.00 176.91 177.61 2h1b h ASN 170 N 0.79 0.41 0.67 1.22 -1.24 -0.69 -2.22 115.58 114.53 2h1b h ASN 170 Ca 0.17 -0.11 -0.15 0.00 0.71 0.00 0.00 56.30 56.92 2h1b h ASN 170 Cb 0.33 -0.11 -0.02 0.00 0.73 0.00 0.00 38.32 39.25 2h1b h ASN 170 CO 0.00 0.59 -0.72 -0.07 -1.29 0.00 0.00 177.43 175.94 2h1b h LEU 171 N 0.39 0.05 -0.81 0.34 -0.00 -0.50 -3.30 115.31 111.48 2h1b h LEU 171 Ca 0.07 -0.03 0.00 0.00 -0.00 0.00 0.00 57.88 57.92 2h1b h LEU 171 Cb 0.49 -0.01 0.00 0.00 -0.00 0.00 0.00 40.66 41.14 2h1b h LEU 171 CO 0.03 0.75 -0.55 2.30 -0.00 0.00 0.00 178.44 180.97 2h1b n ILE 172 N -3.70 0.00 -1.91 1.22 -5.35 -0.42 -4.96 119.36 104.23 2h1b n ILE 172 Ca -0.01 -0.21 -0.38 0.00 -0.27 0.00 0.00 62.75 61.88 2h1b n ILE 172 Cb 0.70 1.16 0.03 0.00 -1.74 0.00 0.00 39.64 39.79 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 -2.57 3.28 0.69 6.28 -2.85 -0.85 -3.46 119.74 120.26 2h1b s LYS 173 Ca 0.17 2.11 -0.13 0.00 -1.00 0.00 0.00 55.97 57.11 2h1b s LYS 173 Cb 0.18 -2.28 0.02 0.00 -2.06 0.00 0.00 37.83 33.69 2h1b s LYS 173 CO 0.62 -1.04 1.09 -1.25 0.10 0.00 0.00 175.35 174.87 2h1b s PRO 174 N -2.88 2.69 0.00 1.78 0.04 -1.26 -4.89 135.00 130.48 2h1b s PRO 174 Ca 0.70 1.26 0.23 0.00 0.04 0.00 0.00 61.00 63.22 2h1b s PRO 174 Cb -0.37 -1.95 1.36 0.00 0.04 0.00 0.00 34.50 33.58 2h1b s PRO 174 CO 0.44 -1.32 1.73 0.41 0.04 0.00 0.00 177.00 178.30