#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 1.96 3.77 8.31 0.00 0.93 -5.02 105.19 115.15 2h1b n GLY 39 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.05 4.82 0.27 1.61 0.01 -1.26 -4.65 113.70 112.45 2h1b s SER 40 Ca 0.00 1.90 -0.30 0.00 1.31 0.00 0.00 55.95 58.85 2h1b s SER 40 Cb 0.00 -2.53 -0.11 0.00 0.21 0.00 0.00 66.02 63.58 2h1b s SER 40 CO 0.00 -1.82 1.61 -1.81 0.41 0.00 0.00 173.24 171.63 2h1b s ASP 41 N -3.03 6.40 -0.01 2.44 1.01 -1.26 -0.53 116.67 121.70 2h1b s ASP 41 Ca 0.64 2.90 -0.30 0.00 0.71 0.00 0.00 52.55 56.50 2h1b s ASP 41 Cb -0.19 -2.63 -0.06 0.00 1.01 0.00 0.00 42.92 41.06 2h1b s ASP 41 CO 0.49 -0.91 1.45 0.00 0.21 0.00 0.00 175.17 176.41 2h1b s ALA 42 N 0.29 3.60 -0.07 5.23 0.00 -0.07 -4.79 121.76 125.95 2h1b s ALA 42 Ca 0.66 0.90 -0.37 0.00 0.00 0.00 0.00 51.96 53.15 2h1b s ALA 42 Cb -0.48 -3.62 -0.15 0.00 0.00 0.00 0.00 23.12 18.87 2h1b s ALA 42 CO 0.44 -1.00 1.63 -2.30 0.00 0.00 0.00 175.76 174.52 2h1b n PRO 43 N 5.65 1.50 -2.32 0.00 -0.02 -1.26 -4.96 135.00 133.59 2h1b n PRO 43 Ca 0.14 0.54 -0.33 0.00 -2.02 0.00 0.00 63.50 61.84 2h1b n PRO 43 Cb 0.43 -2.26 -0.02 0.00 -0.02 0.00 0.00 33.50 31.63 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 2.35 6.26 0.19 2.55 2.47 -1.26 -4.99 114.94 122.51 2h1b s ASN 44 Ca 0.90 1.74 -0.23 0.00 0.42 0.00 0.00 52.86 55.70 2h1b s ASN 44 Cb -0.91 -2.53 0.06 0.00 -1.45 0.00 0.00 41.25 36.42 2h1b s ASN 44 CO 0.53 -0.83 0.66 0.72 -3.72 0.00 0.00 177.10 174.46 2h1b s PHE 45 N -2.40 -0.41 -0.10 0.43 -0.12 -1.26 -4.99 117.98 109.13 2h1b s PHE 45 Ca 0.63 0.13 0.02 0.00 -0.05 0.00 0.00 56.93 57.66 2h1b s PHE 45 Cb -0.13 0.60 0.01 0.00 -0.63 0.00 0.00 43.02 42.87 2h1b s PHE 45 CO 0.30 -0.95 -0.17 0.08 -0.05 0.00 0.00 175.22 174.44 2h1b s VAL 46 N -3.75 1.56 0.08 -2.49 1.01 -1.26 -1.51 120.40 114.05 2h1b s VAL 46 Ca 0.04 -0.70 0.02 0.00 0.00 0.00 0.00 61.98 61.35 2h1b s VAL 46 Cb -0.02 -1.40 -0.04 0.00 0.00 0.00 0.00 36.38 34.92 2h1b s VAL 46 CO -0.06 0.45 -0.08 -0.76 0.00 0.00 0.00 175.10 174.65 2h1b s LEU 47 N 0.76 2.42 0.07 3.92 1.43 -0.54 -4.96 118.68 121.77 2h1b s LEU 47 Ca -0.11 -0.84 -0.30 0.00 -1.03 0.00 0.00 54.13 51.85 2h1b s LEU 47 Cb -0.16 -0.16 -0.05 0.00 0.03 0.00 0.00 46.19 45.86 2h1b s LEU 47 CO 0.02 -0.35 0.95 -0.70 0.23 0.00 0.00 176.35 176.51 2h1b s GLU 48 N -2.98 4.64 0.80 1.70 2.12 -1.26 -0.76 118.70 122.96 2h1b s GLU 48 Ca 0.05 1.41 -0.11 0.00 0.36 0.00 0.00 54.97 56.68 2h1b s GLU 48 Cb -0.01 -3.40 0.18 0.00 0.26 0.00 0.00 34.13 31.16 2h1b s GLU 48 CO -0.02 0.14 1.08 -0.40 -0.54 0.00 0.00 175.26 175.52 2h1b n ASP 49 N 3.13 0.39 0.00 -1.70 5.75 0.53 -0.94 116.55 123.70 2h1b n ASP 49 Ca 0.03 -1.58 0.13 0.00 -0.01 0.00 0.00 54.79 53.36 2h1b n ASP 49 Cb 0.50 -0.80 0.74 0.00 -1.03 0.00 0.00 41.12 40.52 2h1b n ASP 49 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 2h1b n THR 50 N -3.35 0.07 0.74 2.12 -2.24 -0.77 -1.81 114.28 109.04 2h1b n THR 50 Ca 0.15 0.02 0.08 0.00 -2.27 0.00 0.00 64.05 62.02 2h1b n THR 50 Cb 0.51 -0.60 -0.02 0.00 -2.10 0.00 0.00 70.33 68.12 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 -1.10 1.45 0.00 3.42 3.02 -1.26 -4.98 115.26 115.81 2h1b n ASN 51 Ca 0.17 -1.23 0.00 0.00 -0.03 0.00 0.00 54.58 53.50 2h1b n ASN 51 Cb 0.13 0.59 0.00 0.00 -0.61 0.00 0.00 39.78 39.89 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 1.22 1.56 3.66 7.41 0.00 -0.75 -5.05 105.19 113.24 2h1b n GLY 52 Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.98 4.17 0.02 1.61 2.20 -1.26 -4.63 119.74 120.86 2h1b s LYS 53 Ca 0.00 2.37 -0.30 0.00 -0.36 0.00 0.00 55.97 57.68 2h1b s LYS 53 Cb 0.00 -3.98 -0.04 0.00 -1.51 0.00 0.00 37.83 32.30 2h1b s LYS 53 CO 0.00 -0.87 1.06 -0.98 -0.36 0.00 0.00 175.35 174.21 2h1b s ARG 54 N 3.96 4.50 -0.16 4.03 1.70 -1.26 -0.35 118.95 131.37 2h1b s ARG 54 Ca 0.79 1.55 0.00 0.00 -0.47 0.00 0.00 55.73 57.60 2h1b s ARG 54 Cb -0.38 -3.43 0.00 0.00 -0.57 0.00 0.00 34.95 30.58 2h1b s ARG 54 CO 0.34 -0.15 -0.15 0.42 -1.08 0.00 0.00 175.30 174.68 2h1b s ILE 55 N 1.11 2.59 -0.17 4.99 1.01 0.06 -4.94 121.20 125.84 2h1b s ILE 55 Ca 0.54 -0.79 -0.07 0.00 0.00 0.00 0.00 60.65 60.33 2h1b s ILE 55 Cb -0.24 -2.10 -0.04 0.00 0.01 0.00 0.00 42.46 40.09 2h1b s ILE 55 CO 0.28 0.51 0.07 -0.70 0.00 0.00 0.00 174.94 175.10 2h1b s GLU 56 N 0.96 3.89 0.26 2.79 2.12 -1.26 -1.47 118.70 125.98 2h1b s GLU 56 Ca -0.03 -0.32 -0.01 0.00 0.36 0.00 0.00 54.97 54.97 2h1b s GLU 56 Cb -0.15 -3.20 0.51 0.00 0.26 0.00 0.00 34.13 31.55 2h1b s GLU 56 CO -0.03 0.35 1.78 1.25 -0.54 0.00 0.00 175.26 178.07 2h1b h LEU 57 N 6.43 0.60 -2.07 2.70 5.85 -1.65 -0.67 115.31 126.49 2h1b h LEU 57 Ca -0.40 0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.40 2h1b h LEU 57 Cb 1.17 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 42.18 2h1b h LEU 57 CO 0.69 0.28 0.00 0.77 -0.34 0.00 0.00 178.44 179.84 2h1b h SER 58 N 0.69 0.00 0.50 1.25 4.64 -1.96 -1.09 113.55 117.58 2h1b h SER 58 Ca 0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.77 2h1b h SER 58 Cb 0.58 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.67 2h1b h SER 58 CO -0.33 0.00 0.00 0.47 -0.87 0.00 0.00 176.83 176.10 2h1b n ASP 59 N -2.89 0.24 -1.16 4.97 8.00 -0.26 -2.42 116.55 123.05 2h1b n ASP 59 Ca -0.01 0.57 0.12 0.00 0.71 0.00 0.00 54.79 56.17 2h1b n ASP 59 Cb 0.15 -0.62 0.25 0.00 -0.02 0.00 0.00 41.12 40.88 2h1b n ASP 59 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2h1b n LEU 60 N -1.78 3.43 -4.62 0.64 4.77 -0.41 -4.98 117.00 114.06 2h1b n LEU 60 Ca 0.02 -1.53 -0.44 0.00 -0.03 0.00 0.00 56.01 54.04 2h1b n LEU 60 Cb 0.17 -0.29 -0.01 0.00 -2.33 0.00 0.00 43.42 40.95 2h1b n LEU 60 CO 0.14 0.76 0.64 0.29 -1.33 0.00 0.00 177.39 177.90 2h1b n LYS 61 N 1.45 1.53 0.00 3.23 4.76 -1.01 -1.51 118.16 126.60 2h1b n LYS 61 Ca 0.20 0.54 0.00 0.00 -2.87 0.00 0.00 58.31 56.18 2h1b n LYS 61 Cb 0.59 -1.97 0.00 0.00 -1.84 0.00 0.00 35.03 31.81 2h1b n LYS 61 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2h1b n GLY 62 N 1.11 3.24 3.80 0.72 0.00 -0.23 -5.03 105.19 108.80 2h1b n GLY 62 Ca 0.08 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.83 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 2.94 0.38 1.61 1.02 -0.57 -4.70 119.74 119.88 2h1b s LYS 63 Ca 0.00 -0.79 -0.25 0.00 0.02 0.00 0.00 55.97 54.95 2h1b s LYS 63 Cb 0.00 -2.70 -0.09 0.00 -0.52 0.00 0.00 37.83 34.52 2h1b s LYS 63 CO 0.00 0.51 1.03 0.20 -0.92 0.00 0.00 175.35 176.17 2h1b s GLY 64 N -2.89 2.76 -0.12 -3.33 0.00 -0.54 -3.43 107.32 99.78 2h1b s GLY 64 Ca 0.31 0.67 0.01 0.00 0.00 0.00 0.00 44.72 45.71 2h1b s GLY 64 CO 0.23 1.11 -0.14 0.14 0.00 0.00 0.00 173.10 174.44 2h1b s VAL 65 N -1.63 1.45 -0.70 1.40 1.01 -0.12 -0.03 120.40 121.78 2h1b s VAL 65 Ca 0.55 -0.60 -0.18 0.00 0.00 0.00 0.00 61.98 61.76 2h1b s VAL 65 Cb -0.22 -1.35 0.13 0.00 0.00 0.00 0.00 36.38 34.94 2h1b s VAL 65 CO 0.27 0.43 0.79 0.12 0.00 0.00 0.00 175.10 176.72 2h1b s PHE 66 N 1.19 3.17 -0.55 5.22 2.19 0.76 -1.21 117.98 128.74 2h1b s PHE 66 Ca -0.02 -1.25 -0.18 0.00 0.33 0.00 0.00 56.93 55.80 2h1b s PHE 66 Cb -0.14 -4.03 0.09 0.00 -1.31 0.00 0.00 43.02 37.64 2h1b s PHE 66 CO -0.05 -1.27 0.62 -1.17 1.83 0.00 0.00 175.22 175.19 2h1b s LEU 67 N 2.18 5.44 -0.22 6.12 2.96 -0.35 -1.41 118.68 133.40 2h1b s LEU 67 Ca 0.17 -1.36 -0.04 0.00 -0.22 0.00 0.00 54.13 52.67 2h1b s LEU 67 Cb -0.18 -2.31 -0.01 0.00 0.50 0.00 0.00 46.19 44.19 2h1b s LEU 67 CO 0.00 -0.98 -0.03 0.21 -1.32 0.00 0.00 176.35 174.23 2h1b s ASN 68 N 3.31 4.38 -0.15 3.68 3.84 -0.42 0.06 114.94 129.65 2h1b s ASN 68 Ca 0.10 -0.37 -0.12 0.00 0.21 0.00 0.00 52.86 52.68 2h1b s ASN 68 Cb -0.24 -1.76 -0.05 0.00 -0.55 0.00 0.00 41.25 38.66 2h1b s ASN 68 CO 0.07 -0.02 0.24 -0.36 -2.79 0.00 0.00 177.10 174.24 2h1b s PHE 69 N 1.46 3.49 0.23 0.43 0.40 0.15 0.15 117.98 124.30 2h1b s PHE 69 Ca 0.06 0.55 -0.14 0.00 -0.60 0.00 0.00 56.93 56.80 2h1b s PHE 69 Cb -0.14 -2.23 0.00 0.00 0.51 0.00 0.00 43.02 41.16 2h1b s PHE 69 CO -0.02 0.37 0.48 1.67 0.70 0.00 0.00 175.22 178.41 2h1b s TRP 70 N 0.07 0.25 0.02 0.36 1.48 -0.65 -2.15 118.94 118.32 2h1b s TRP 70 Ca 0.15 -0.61 -0.22 0.00 -1.06 0.00 0.00 56.10 54.35 2h1b s TRP 70 Cb -0.13 0.23 0.05 0.00 -1.16 0.00 0.00 33.47 32.47 2h1b s TRP 70 CO 0.03 -0.97 0.51 0.20 -4.06 0.00 0.00 176.95 172.66 2h1b s GLY 71 N -2.98 -0.40 0.26 3.67 0.00 -1.26 -1.16 107.32 105.44 2h1b s GLY 71 Ca 0.19 0.66 0.22 0.00 0.00 0.00 0.00 44.72 45.79 2h1b s GLY 71 CO 0.06 0.37 1.67 -1.30 0.00 0.00 0.00 173.10 173.89 2h1b n THR 72 N 0.62 0.93 1.54 0.90 -2.24 -1.26 -1.55 114.28 113.21 2h1b n THR 72 Ca -0.19 0.38 0.15 0.00 -2.27 0.00 0.00 64.05 62.11 2h1b n THR 72 Cb 0.59 -1.32 0.68 0.00 -2.10 0.00 0.00 70.33 68.18 2h1b n THR 72 CO 0.00 0.00 0.00 -2.67 -0.57 0.00 0.00 175.07 171.83 2h1b n TRP 73 N -2.19 0.00 -3.05 4.78 2.14 -1.26 -4.67 117.44 113.19 2h1b n TRP 73 Ca 0.01 0.00 -0.44 0.00 2.07 0.00 0.00 57.50 59.14 2h1b n TRP 73 Cb 0.17 -0.14 -0.05 0.00 -0.81 0.00 0.00 31.31 30.48 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 9.20 0.76 -0.38 0.00 4.39 -1.87 -1.65 114.58 125.03 2h1b h GLU 75 Ca -0.28 -0.05 0.10 0.00 0.34 0.00 0.00 59.36 59.47 2h1b h GLU 75 Cb 1.09 -0.17 -0.02 0.00 -0.10 0.00 0.00 28.75 29.55 2h1b h GLU 75 CO 1.06 0.51 0.27 -1.35 -1.16 0.00 0.00 179.01 178.34 2h1b h PRO 76 N 0.79 0.06 0.00 2.33 0.11 -1.96 -1.25 132.00 132.08 2h1b h PRO 76 Ca 0.31 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.42 2h1b h PRO 76 Cb 0.23 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.32 2h1b h PRO 76 CO -0.10 0.04 0.00 0.00 -0.21 0.00 0.00 178.00 177.73 2h1b h LYS 78 N 0.00 0.00 0.00 0.00 1.57 -1.35 -0.18 116.57 116.61 2h1b h LYS 78 Ca 0.00 0.00 -0.37 0.00 -1.87 0.00 0.00 60.65 58.41 2h1b h LYS 78 Cb 0.15 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 32.39 2h1b h LYS 78 CO 0.00 0.01 -2.41 1.63 -0.57 0.00 0.00 179.45 178.11 2h1b n LYS 79 N -3.11 0.68 -0.16 3.15 5.02 -0.10 -4.43 118.16 119.21 2h1b n LYS 79 Ca 0.01 0.10 -0.11 0.00 -2.02 0.00 0.00 58.31 56.29 2h1b n LYS 79 Cb 0.34 -1.51 -0.00 0.00 -0.02 0.00 0.00 35.03 33.84 2h1b n LYS 79 CO 0.00 0.00 0.00 0.37 -0.52 0.00 0.00 177.40 177.25 2h1b h GLN 80 N 0.00 0.88 0.16 1.97 4.15 -0.41 -1.66 115.11 120.19 2h1b h GLN 80 Ca -0.55 -0.32 -0.01 0.00 0.77 0.00 0.00 58.65 58.54 2h1b h GLN 80 Cb 1.99 -0.06 0.00 0.00 0.21 0.00 0.00 27.48 29.62 2h1b h GLN 80 CO -0.05 0.95 -0.08 0.74 -1.93 0.00 0.00 178.83 178.47 2h1b h PHE 81 N 0.72 -0.20 -0.56 3.99 -1.00 -1.27 0.59 116.94 119.22 2h1b h PHE 81 Ca 0.12 -0.00 0.09 0.00 2.81 0.00 0.00 57.97 60.98 2h1b h PHE 81 Cb 0.61 0.07 -0.03 0.00 3.61 0.00 0.00 35.95 40.20 2h1b h PHE 81 CO 0.05 0.01 0.37 -1.35 -1.61 0.00 0.00 178.31 175.78 2h1b h PRO 82 N -0.37 0.39 -0.00 1.51 0.11 -1.66 0.59 132.00 132.57 2h1b h PRO 82 Ca -0.02 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 66.06 2h1b h PRO 82 Cb 0.29 -0.09 -0.00 0.00 0.11 0.00 0.00 31.00 31.32 2h1b h PRO 82 CO 0.04 0.26 -0.00 1.88 -0.21 0.00 0.00 178.00 179.96 2h1b h TYR 83 N 0.40 0.01 -0.37 0.65 0.05 -0.64 -0.94 116.97 116.12 2h1b h TYR 83 Ca 0.25 -0.00 0.04 0.00 0.05 0.00 0.00 58.73 59.07 2h1b h TYR 83 Cb 0.47 -0.00 -0.04 0.00 1.01 0.00 0.00 36.73 38.16 2h1b h TYR 83 CO -0.00 0.35 0.13 0.52 -1.05 0.00 0.00 178.16 178.11 2h1b h MET 84 N -0.34 0.27 -0.91 4.88 2.86 0.42 -1.67 114.93 120.43 2h1b h MET 84 Ca 0.00 -0.02 0.05 0.00 -2.06 0.00 0.00 59.70 57.68 2h1b h MET 84 Cb 0.35 -0.06 -0.06 0.00 0.06 0.00 0.00 31.60 31.89 2h1b h MET 84 CO 0.00 0.18 0.60 0.00 1.06 0.00 0.00 176.91 178.75 2h1b h ALA 85 N 1.24 1.47 -0.35 6.32 0.00 -0.85 0.15 119.26 127.24 2h1b h ALA 85 Ca 0.17 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.95 2h1b h ALA 85 Cb 0.15 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 2h1b h ALA 85 CO -0.17 0.41 -0.16 -0.97 0.00 0.00 0.00 179.25 178.36 2h1b h ASN 86 N 1.08 0.74 0.25 0.00 -1.24 -0.75 -2.72 115.58 112.93 2h1b h ASN 86 Ca 0.38 -0.40 -0.18 0.00 0.71 0.00 0.00 56.30 56.81 2h1b h ASN 86 Cb 0.13 -0.20 -0.01 0.00 0.73 0.00 0.00 38.32 38.97 2h1b h ASN 86 CO -0.13 0.98 -0.70 1.56 -1.29 0.00 0.00 177.43 177.84 2h1b h GLN 87 N 0.50 0.40 -0.15 6.67 1.08 -1.01 -3.04 115.11 119.56 2h1b h GLN 87 Ca 0.08 -0.31 -0.01 0.00 -1.45 0.00 0.00 58.65 56.95 2h1b h GLN 87 Cb 0.69 0.06 -0.01 0.00 -0.05 0.00 0.00 27.48 28.18 2h1b h GLN 87 CO 0.05 0.95 0.04 -0.92 -0.95 0.00 0.00 178.83 178.00 2h1b h TYR 88 N 0.28 0.21 -0.90 2.96 3.20 -0.65 -0.03 116.97 122.04 2h1b h TYR 88 Ca -0.02 -0.00 0.18 0.00 3.14 0.00 0.00 58.73 62.02 2h1b h TYR 88 Cb 1.26 -0.07 -0.07 0.00 1.54 0.00 0.00 36.73 39.40 2h1b h TYR 88 CO 0.04 0.19 0.58 0.87 -1.64 0.00 0.00 178.16 178.20 2h1b h LYS 89 N 0.21 0.54 0.05 1.82 1.57 -1.36 -1.73 116.57 117.67 2h1b h LYS 89 Ca 0.05 -0.03 -0.28 0.00 -1.87 0.00 0.00 60.65 58.52 2h1b h LYS 89 Cb 0.08 -0.12 -0.03 0.00 0.08 0.00 0.00 32.23 32.24 2h1b h LYS 89 CO -0.00 0.36 -1.55 1.58 -0.57 0.00 0.00 179.45 179.26 2h1b n HIS 90 N -4.56 1.09 0.23 -1.35 -0.00 -0.30 -4.61 115.22 105.72 2h1b n HIS 90 Ca 0.19 0.37 0.12 0.00 0.46 0.00 0.00 57.72 58.86 2h1b n HIS 90 Cb 0.59 -1.12 0.27 0.00 -0.12 0.00 0.00 29.99 29.60 2h1b n HIS 90 CO 0.00 0.00 0.00 0.74 0.46 0.00 0.00 176.34 177.54 2h1b h PHE 91 N -0.61 0.00 -0.72 1.57 0.04 -0.90 -3.22 116.94 113.09 2h1b h PHE 91 Ca -0.38 0.00 0.02 0.00 2.80 0.00 0.00 57.97 60.41 2h1b h PHE 91 Cb 1.57 0.00 -0.04 0.00 2.20 0.00 0.00 35.95 39.68 2h1b h PHE 91 CO 0.09 0.04 0.46 -0.22 -0.60 0.00 0.00 178.31 178.08 2h1b h LYS 92 N 0.00 0.90 -0.07 1.51 3.64 -1.42 -0.88 116.57 120.24 2h1b h LYS 92 Ca -0.00 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 2h1b h LYS 92 Cb 0.92 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 32.54 2h1b h LYS 92 CO 0.01 0.59 0.00 -1.13 -2.27 0.00 0.00 179.45 176.65 2h1b n SER 93 N -4.62 0.79 -0.90 4.20 3.41 -1.21 -2.52 113.62 112.76 2h1b n SER 93 Ca 0.08 -1.53 0.09 0.00 -0.26 0.00 0.00 58.87 57.25 2h1b n SER 93 Cb 0.06 -0.04 0.17 0.00 -0.26 0.00 0.00 64.21 64.13 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 -0.28 2.18 -1.00 4.33 1.13 -0.42 -4.98 117.38 118.34 2h1b n GLN 94 Ca 0.16 -2.01 0.00 0.00 -1.94 0.00 0.00 57.00 53.21 2h1b n GLN 94 Cb 0.19 -1.40 0.00 0.00 0.11 0.00 0.00 30.24 29.14 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 1.11 0.60 3.63 1.08 0.00 -1.05 -4.08 105.19 106.49 2h1b n GLY 95 Ca 0.15 -0.79 -0.34 0.00 0.00 0.00 0.00 46.02 45.04 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 4.69 0.06 1.61 1.01 -0.72 -1.46 120.40 123.59 2h1b s VAL 96 Ca 0.00 -0.07 0.03 0.00 0.00 0.00 0.00 61.98 61.94 2h1b s VAL 96 Cb 0.00 -3.10 -0.04 0.00 0.00 0.00 0.00 36.38 33.24 2h1b s VAL 96 CO 0.00 0.48 0.01 -0.70 0.00 0.00 0.00 175.10 174.89 2h1b s GLU 97 N 0.25 2.68 -0.13 2.72 2.56 0.95 -3.85 118.70 123.88 2h1b s GLU 97 Ca 0.03 -0.73 -0.05 0.00 0.00 0.00 0.00 54.97 54.21 2h1b s GLU 97 Cb -0.12 -2.62 -0.04 0.00 2.00 0.00 0.00 34.13 33.35 2h1b s GLU 97 CO 0.01 0.57 0.07 0.42 -0.56 0.00 0.00 175.26 175.77 2h1b s ILE 98 N -1.24 4.85 -0.22 -3.70 1.01 -1.26 -0.17 121.20 120.46 2h1b s ILE 98 Ca 0.24 -0.03 0.00 0.00 0.00 0.00 0.00 60.65 60.86 2h1b s ILE 98 Cb -0.12 -3.11 0.06 0.00 0.01 0.00 0.00 42.46 39.30 2h1b s ILE 98 CO 0.16 0.56 -0.05 -0.69 0.00 0.00 0.00 174.94 174.91 2h1b s VAL 99 N -0.49 1.47 -0.46 2.92 1.01 -0.50 -3.99 120.40 120.36 2h1b s VAL 99 Ca 0.10 -1.13 -0.10 0.00 0.00 0.00 0.00 61.98 60.85 2h1b s VAL 99 Cb -0.12 -1.72 0.10 0.00 0.00 0.00 0.00 36.38 34.64 2h1b s VAL 99 CO 0.02 -0.06 0.33 0.00 0.00 0.00 0.00 175.10 175.39 2h1b s ALA 100 N 1.43 3.39 -0.66 5.51 0.00 -0.79 -1.30 121.76 129.34 2h1b s ALA 100 Ca -0.05 -2.33 -0.26 0.00 0.00 0.00 0.00 51.96 49.32 2h1b s ALA 100 Cb -0.18 -2.82 0.04 0.00 0.00 0.00 0.00 23.12 20.16 2h1b s ALA 100 CO -0.07 -1.79 1.14 0.08 0.00 0.00 0.00 175.76 175.12 2h1b s VAL 101 N 1.44 4.03 0.14 0.00 1.01 0.12 -1.01 120.40 126.13 2h1b s VAL 101 Ca 0.04 0.32 -0.31 0.00 0.00 0.00 0.00 61.98 62.03 2h1b s VAL 101 Cb -0.25 -4.76 -0.08 0.00 0.00 0.00 0.00 36.38 31.28 2h1b s VAL 101 CO 0.02 -1.54 1.39 0.21 0.00 0.00 0.00 175.10 175.17 2h1b s ASN 102 N 3.41 6.81 -0.63 3.32 3.84 0.22 -1.64 114.94 130.28 2h1b s ASN 102 Ca 0.33 2.38 -0.18 0.00 0.21 0.00 0.00 52.86 55.59 2h1b s ASN 102 Cb -0.11 -2.59 0.11 0.00 -0.55 0.00 0.00 41.25 38.11 2h1b s ASN 102 CO 0.17 -0.64 0.73 -0.69 -2.79 0.00 0.00 177.10 173.88 2h1b s VAL 103 N 0.85 4.88 0.00 -5.21 1.01 -0.31 -1.14 120.40 120.48 2h1b s VAL 103 Ca 0.63 -1.15 0.00 0.00 0.00 0.00 0.00 61.98 61.46 2h1b s VAL 103 Cb -0.37 -4.51 0.00 0.00 0.00 0.00 0.00 36.38 31.50 2h1b s VAL 103 CO 0.33 -1.14 0.00 0.61 0.00 0.00 0.00 175.10 174.89 2h1b n GLY 104 N 5.21 0.73 3.95 4.51 0.00 -0.43 -4.90 105.19 114.26 2h1b n GLY 104 Ca -0.06 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.26 2.52 0.54 1.61 2.02 -1.26 -4.88 118.70 118.99 2h1b s GLU 105 Ca 0.00 -0.53 -0.16 0.00 0.02 0.00 0.00 54.97 54.31 2h1b s GLU 105 Cb 0.00 -2.38 -0.07 0.00 0.10 0.00 0.00 34.13 31.78 2h1b s GLU 105 CO 0.00 -0.83 1.00 -1.54 0.02 0.00 0.00 175.26 173.91 2h1b s SER 106 N -4.42 6.45 0.27 -0.19 1.04 -1.26 -4.85 113.70 110.74 2h1b s SER 106 Ca 0.57 1.59 -0.00 0.00 0.48 0.00 0.00 55.95 58.59 2h1b s SER 106 Cb -0.10 -2.51 0.55 0.00 0.10 0.00 0.00 66.02 64.06 2h1b s SER 106 CO 0.41 -0.71 1.78 0.11 0.98 0.00 0.00 173.24 175.81 2h1b h LYS 107 N 0.70 0.69 -0.09 4.02 1.57 -1.99 -0.44 116.57 121.03 2h1b h LYS 107 Ca -0.46 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.27 2h1b h LYS 107 Cb 1.19 -0.16 -0.00 0.00 0.08 0.00 0.00 32.23 33.34 2h1b h LYS 107 CO 0.61 0.46 0.03 0.82 -0.57 0.00 0.00 179.45 180.79 2h1b h ILE 108 N 0.71 1.18 -0.49 1.86 2.04 -1.99 0.17 117.51 120.99 2h1b h ILE 108 Ca 0.48 -0.56 0.05 0.00 1.00 0.00 0.00 64.86 65.84 2h1b h ILE 108 Cb 0.63 1.38 -0.05 0.00 -0.74 0.00 0.00 36.82 38.04 2h1b h ILE 108 CO -0.34 0.16 0.21 0.00 0.00 0.00 0.00 178.15 178.19 2h1b h ALA 109 N 0.83 0.62 -0.02 1.87 0.00 -1.79 -1.75 119.26 119.02 2h1b h ALA 109 Ca 0.03 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 2h1b h ALA 109 Cb 0.23 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 2h1b h ALA 109 CO -0.00 -0.16 0.01 0.28 0.00 0.00 0.00 179.25 179.38 2h1b h VAL 110 N 0.42 1.03 -0.76 0.00 2.07 -0.99 -2.58 116.25 115.44 2h1b h VAL 110 Ca 0.23 -0.08 0.03 0.00 0.82 0.00 0.00 66.70 67.70 2h1b h VAL 110 Cb 0.19 1.06 -0.05 0.00 -1.52 0.00 0.00 31.29 30.97 2h1b h VAL 110 CO -0.20 0.02 0.48 0.45 0.02 0.00 0.00 177.57 178.35 2h1b h HIS 111 N -0.01 0.91 -0.93 1.57 -0.00 -0.77 -0.67 115.15 115.24 2h1b h HIS 111 Ca 0.01 0.02 0.04 0.00 -0.00 0.00 0.00 60.37 60.44 2h1b h HIS 111 Cb 0.03 -0.30 -0.06 0.00 -0.00 0.00 0.00 27.41 27.08 2h1b h HIS 111 CO -0.07 0.52 0.61 -0.91 -0.00 0.00 0.00 177.93 178.08 2h1b h ASN 112 N 0.95 0.99 -0.08 2.45 -0.26 -1.23 -1.29 115.58 117.10 2h1b h ASN 112 Ca 0.30 -0.01 -0.13 0.00 -0.56 0.00 0.00 56.30 55.90 2h1b h ASN 112 Cb 0.01 -0.22 0.01 0.00 -1.06 0.00 0.00 38.32 37.05 2h1b h ASN 112 CO -0.11 0.66 -0.48 0.15 -1.06 0.00 0.00 177.43 176.60 2h1b h PHE 113 N 1.14 0.63 -0.57 1.19 3.04 -0.98 -2.59 116.94 118.80 2h1b h PHE 113 Ca 0.38 -0.29 0.08 0.00 3.98 0.00 0.00 57.97 62.12 2h1b h PHE 113 Cb 0.07 -0.09 -0.07 0.00 2.56 0.00 0.00 35.95 38.42 2h1b h PHE 113 CO -0.00 1.06 0.21 0.52 -2.02 0.00 0.00 178.31 178.09 2h1b h MET 114 N 0.02 0.39 -0.68 1.11 2.86 -0.98 -0.23 114.93 117.42 2h1b h MET 114 Ca -0.04 -0.02 -0.07 0.00 -2.06 0.00 0.00 59.70 57.51 2h1b h MET 114 Cb 1.13 -0.09 -0.03 0.00 0.06 0.00 0.00 31.60 32.68 2h1b h MET 114 CO 0.10 0.26 0.14 -0.22 1.06 0.00 0.00 176.91 178.25 2h1b h LYS 115 N 0.40 1.09 -0.08 1.72 3.64 -1.26 -1.47 116.57 120.61 2h1b h LYS 115 Ca 0.28 -0.27 -0.15 0.00 -1.27 0.00 0.00 60.65 59.24 2h1b h LYS 115 Cb 0.32 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 31.99 2h1b h LYS 115 CO -0.28 0.98 -0.62 0.77 -2.27 0.00 0.00 179.45 178.02 2h1b h SER 116 N 1.03 0.33 -0.40 4.20 0.02 -0.99 -3.26 113.55 114.49 2h1b h SER 116 Ca 0.21 -0.20 -0.10 0.00 -0.84 0.00 0.00 61.79 60.86 2h1b h SER 116 Cb 0.39 -0.10 -0.06 0.00 0.14 0.00 0.00 62.40 62.77 2h1b h SER 116 CO 0.01 0.87 0.05 -1.22 -1.14 0.00 0.00 176.83 175.40 2h1b n TYR 117 N -3.87 1.34 -3.74 3.45 4.01 -0.15 -4.98 117.16 113.22 2h1b n TYR 117 Ca -0.03 -1.16 -0.22 0.00 -0.16 0.00 0.00 57.90 56.33 2h1b n TYR 117 Cb 0.63 -0.45 0.03 0.00 -0.31 0.00 0.00 39.34 39.24 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 -0.61 -0.29 3.70 2.72 0.00 -0.95 -3.84 105.19 105.92 2h1b n GLY 118 Ca 0.29 0.13 -0.42 0.00 0.00 0.00 0.00 46.02 46.02 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 -3.69 4.04 -0.07 1.61 1.01 -0.60 -4.84 120.40 117.86 2h1b s VAL 119 Ca 0.03 1.44 0.11 0.00 0.00 0.00 0.00 61.98 63.56 2h1b s VAL 119 Cb -0.01 -3.92 0.16 0.00 0.00 0.00 0.00 36.38 32.60 2h1b s VAL 119 CO 0.82 0.08 1.06 -0.46 0.00 0.00 0.00 175.10 176.60 2h1b n ASN 120 N 4.36 1.87 -4.33 3.32 0.23 -1.26 -4.93 115.26 114.52 2h1b n ASN 120 Ca 0.10 -2.56 -0.18 0.00 -0.53 0.00 0.00 54.58 51.41 2h1b n ASN 120 Cb 0.46 -0.27 -0.10 0.00 -2.08 0.00 0.00 39.78 37.79 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 -1.90 1.61 0.29 -2.53 -0.12 -1.26 -5.07 117.98 109.00 2h1b s PHE 121 Ca 0.18 -0.68 -0.30 0.00 -0.05 0.00 0.00 56.93 56.08 2h1b s PHE 121 Cb 0.16 -0.81 -0.11 0.00 -0.63 0.00 0.00 43.02 41.63 2h1b s PHE 121 CO 0.02 0.23 1.56 -2.14 -0.05 0.00 0.00 175.22 174.83 2h1b s PRO 122 N -3.71 4.15 -0.06 1.99 0.02 -1.26 -4.96 135.00 131.18 2h1b s PRO 122 Ca 0.23 2.52 0.04 0.00 0.02 0.00 0.00 61.00 63.81 2h1b s PRO 122 Cb 0.01 -3.04 -0.00 0.00 0.02 0.00 0.00 34.50 31.50 2h1b s PRO 122 CO 0.06 -0.58 -0.19 0.08 -0.33 0.00 0.00 177.00 176.04 2h1b s VAL 123 N -0.05 1.62 0.30 3.83 1.01 -1.26 -1.89 120.40 123.96 2h1b s VAL 123 Ca 0.62 -0.80 0.11 0.00 0.00 0.00 0.00 61.98 61.91 2h1b s VAL 123 Cb -0.46 -1.41 -0.05 0.00 0.00 0.00 0.00 36.38 34.46 2h1b s VAL 123 CO 0.48 0.46 -0.16 0.68 0.00 0.00 0.00 175.10 176.56 2h1b s VAL 124 N 0.20 2.48 -0.36 2.92 -7.23 -0.18 -1.86 120.40 116.37 2h1b s VAL 124 Ca -0.09 -2.33 -0.04 0.00 -1.81 0.00 0.00 61.98 57.71 2h1b s VAL 124 Cb -0.14 -2.42 0.07 0.00 0.56 0.00 0.00 36.38 34.45 2h1b s VAL 124 CO 0.04 -0.35 0.12 -0.76 -0.31 0.00 0.00 175.10 173.84 2h1b s LEU 125 N -3.55 4.60 -1.26 1.32 1.43 -0.12 -0.61 118.68 120.49 2h1b s LEU 125 Ca 0.31 -1.54 -0.11 0.00 -1.03 0.00 0.00 54.13 51.75 2h1b s LEU 125 Cb -0.03 -1.81 0.17 0.00 0.03 0.00 0.00 46.19 44.54 2h1b s LEU 125 CO 0.16 -0.40 1.74 -0.67 0.23 0.00 0.00 176.35 177.40 2h1b n ASP 126 N 4.68 5.11 -0.12 2.29 2.03 -0.29 -4.43 116.55 125.82 2h1b n ASP 126 Ca -0.09 -3.06 -0.03 0.00 0.52 0.00 0.00 54.79 52.13 2h1b n ASP 126 Cb 0.43 -1.51 0.19 0.00 -0.72 0.00 0.00 41.12 39.51 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 4.06 1.23 -0.70 5.18 1.35 -1.89 -0.99 112.91 121.15 2h1b h THR 127 Ca 0.37 -0.84 0.00 0.00 -0.55 0.00 0.00 66.41 65.40 2h1b h THR 127 Cb 0.71 0.72 0.00 0.00 -1.73 0.00 0.00 68.15 67.85 2h1b h THR 127 CO 1.50 0.31 0.00 -0.67 -0.25 0.00 0.00 175.52 176.41 2h1b n ASP 128 N -4.27 4.47 -1.75 5.36 2.03 -1.26 -4.46 116.55 116.67 2h1b n ASP 128 Ca 0.04 -2.26 -0.19 0.00 0.52 0.00 0.00 54.79 52.90 2h1b n ASP 128 Cb 0.24 -0.55 -0.07 0.00 -0.72 0.00 0.00 41.12 40.02 2h1b n ASP 128 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 2h1b n ARG 129 N 1.38 -1.50 0.08 -0.67 1.74 -0.88 -4.88 116.66 111.92 2h1b n ARG 129 Ca 0.26 1.09 -0.09 0.00 -0.77 0.00 0.00 57.85 58.33 2h1b n ARG 129 Cb 0.78 -5.51 0.01 0.00 -1.02 0.00 0.00 32.46 26.72 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 0.00 0.27 -0.12 5.56 4.20 -1.93 -2.08 115.11 121.01 2h1b h GLN 130 Ca -0.41 -0.26 -0.22 0.00 0.06 0.00 0.00 58.65 57.82 2h1b h GLN 130 Cb 1.27 0.07 0.01 0.00 0.30 0.00 0.00 27.48 29.13 2h1b h GLN 130 CO 0.57 0.96 -0.81 0.28 -0.67 0.00 0.00 178.83 179.16 2h1b h VAL 131 N 0.16 1.29 -0.25 -0.54 2.07 -1.91 0.40 116.25 117.48 2h1b h VAL 131 Ca -0.04 -2.04 0.06 0.00 0.82 0.00 0.00 66.70 65.50 2h1b h VAL 131 Cb 1.44 2.05 -0.07 0.00 -1.52 0.00 0.00 31.29 33.19 2h1b h VAL 131 CO 0.13 0.64 -0.22 0.25 0.02 0.00 0.00 177.57 178.40 2h1b h LEU 132 N 0.48 -0.70 -0.35 2.57 5.85 -1.93 -1.39 115.31 119.84 2h1b h LEU 132 Ca -0.06 0.13 -0.00 0.00 0.84 0.00 0.00 57.88 58.79 2h1b h LEU 132 Cb 1.43 0.34 -0.02 0.00 0.37 0.00 0.00 40.66 42.78 2h1b h LEU 132 CO 0.16 -0.25 0.20 0.44 -0.34 0.00 0.00 178.44 178.65 2h1b h ASP 133 N -0.22 0.43 -0.44 1.25 3.32 -1.32 -1.45 116.42 117.99 2h1b h ASP 133 Ca 0.14 -0.07 0.07 0.00 0.02 0.00 0.00 57.03 57.18 2h1b h ASP 133 Cb 0.43 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 39.84 2h1b h ASP 133 CO -0.37 0.38 0.30 0.00 -1.72 0.00 0.00 179.24 177.83 2h1b h ALA 134 N 1.07 2.02 -0.01 3.45 0.00 -0.67 -1.40 119.26 123.72 2h1b h ALA 134 Ca 0.12 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.02 2h1b h ALA 134 Cb 0.04 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.76 2h1b h ALA 134 CO -0.02 -0.11 -0.17 0.66 0.00 0.00 0.00 179.25 179.61 2h1b n TYR 135 N -4.47 0.00 -3.57 0.00 4.02 -0.54 -4.96 117.16 107.63 2h1b n TYR 135 Ca 0.06 0.00 -0.23 0.00 -0.01 0.00 0.00 57.90 57.72 2h1b n TYR 135 Cb 0.29 -0.09 0.08 0.00 -0.02 0.00 0.00 39.34 39.60 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 -0.44 -6.19 -4.73 7.72 8.00 -0.53 -4.95 116.55 115.44 2h1b n ASP 136 Ca 0.14 -0.53 -0.41 0.00 0.71 0.00 0.00 54.79 54.71 2h1b n ASP 136 Cb 0.34 -4.96 -0.04 0.00 -0.02 0.00 0.00 41.12 36.44 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 -3.32 4.80 0.00 2.53 1.01 -0.83 -4.97 120.40 119.62 2h1b s VAL 137 Ca 0.56 1.76 0.00 0.00 0.00 0.00 0.00 61.98 64.30 2h1b s VAL 137 Cb -0.25 -4.18 0.00 0.00 0.00 0.00 0.00 36.38 31.95 2h1b s VAL 137 CO 0.72 0.28 0.00 -1.20 0.00 0.00 0.00 175.10 174.90 2h1b n SER 138 N 3.28 0.00 -4.75 3.32 7.64 -1.26 -4.86 113.62 116.98 2h1b n SER 138 Ca 0.01 0.00 -0.41 0.00 1.01 0.00 0.00 58.87 59.48 2h1b n SER 138 Cb 0.50 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.67 2h1b n SER 138 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 2h1b s PRO 139 N -0.76 4.55 -0.04 1.43 0.04 -1.26 -5.03 135.00 133.94 2h1b s PRO 139 Ca 0.00 1.86 0.06 0.00 0.04 0.00 0.00 61.00 62.96 2h1b s PRO 139 Cb 0.00 -3.20 -0.02 0.00 0.04 0.00 0.00 34.50 31.31 2h1b s PRO 139 CO 0.00 0.05 -0.20 -0.51 0.04 0.00 0.00 177.00 176.38 2h1b s LEU 140 N -0.93 2.40 0.52 -3.56 1.43 -1.26 -3.69 118.68 113.59 2h1b s LEU 140 Ca 0.48 -0.33 -0.15 0.00 -1.03 0.00 0.00 54.13 53.10 2h1b s LEU 140 Cb -0.33 -1.45 -0.07 0.00 0.03 0.00 0.00 46.19 44.37 2h1b s LEU 140 CO 0.40 0.33 0.97 -2.16 0.23 0.00 0.00 176.35 176.12 2h1b s PRO 141 N -0.65 3.90 -0.01 1.29 0.04 -1.26 -4.94 135.00 133.36 2h1b s PRO 141 Ca 0.10 0.89 0.05 0.00 0.04 0.00 0.00 61.00 62.09 2h1b s PRO 141 Cb -0.10 -2.15 -0.01 0.00 0.04 0.00 0.00 34.50 32.27 2h1b s PRO 141 CO -0.00 -0.29 -0.16 0.99 0.04 0.00 0.00 177.00 177.58 2h1b s THR 142 N -2.67 1.27 -0.08 1.26 2.01 -0.91 -4.31 115.64 112.21 2h1b s THR 142 Ca 0.58 -0.74 0.04 0.00 0.31 0.00 0.00 61.69 61.88 2h1b s THR 142 Cb -0.10 -1.07 -0.01 0.00 0.01 0.00 0.00 72.50 71.33 2h1b s THR 142 CO 0.34 0.32 -0.20 -0.89 -0.69 0.00 0.00 174.62 173.49 2h1b s THR 143 N -0.43 2.43 -0.23 -0.82 2.01 -0.41 0.32 115.64 118.49 2h1b s THR 143 Ca 0.06 -0.91 -0.06 0.00 0.31 0.00 0.00 61.69 61.08 2h1b s THR 143 Cb -0.06 -1.94 -0.02 0.00 0.01 0.00 0.00 72.50 70.48 2h1b s THR 143 CO -0.00 0.56 0.04 -0.36 -0.69 0.00 0.00 174.62 174.16 2h1b s PHE 144 N 0.01 3.06 -0.37 4.92 0.40 0.11 -0.30 117.98 125.82 2h1b s PHE 144 Ca -0.07 -0.49 -0.20 0.00 -0.60 0.00 0.00 56.93 55.57 2h1b s PHE 144 Cb -0.15 -2.17 0.00 0.00 0.51 0.00 0.00 43.02 41.21 2h1b s PHE 144 CO 0.05 -0.34 0.60 -0.51 0.70 0.00 0.00 175.22 175.72 2h1b s LEU 145 N 1.39 4.33 -0.15 -0.37 1.43 -0.38 -1.21 118.68 123.72 2h1b s LEU 145 Ca 0.05 0.01 -0.01 0.00 -1.03 0.00 0.00 54.13 53.15 2h1b s LEU 145 Cb -0.15 -2.72 -0.02 0.00 0.03 0.00 0.00 46.19 43.34 2h1b s LEU 145 CO 0.02 -0.59 -0.10 -0.63 0.23 0.00 0.00 176.35 175.28 2h1b s ILE 146 N 2.63 3.25 0.84 -0.59 1.01 -0.35 0.23 121.20 128.23 2h1b s ILE 146 Ca 0.22 -0.58 -0.12 0.00 0.00 0.00 0.00 60.65 60.17 2h1b s ILE 146 Cb -0.15 -2.39 0.10 0.00 0.01 0.00 0.00 42.46 40.03 2h1b s ILE 146 CO 0.15 0.51 1.19 0.54 0.00 0.00 0.00 174.94 177.32 2h1b s ASN 147 N 0.50 4.21 0.65 3.58 2.20 -0.49 -0.94 114.94 124.66 2h1b s ASN 147 Ca -0.07 0.75 0.33 0.00 -0.94 0.00 0.00 52.86 52.93 2h1b s ASN 147 Cb -0.15 -1.21 1.80 0.00 -2.00 0.00 0.00 41.25 39.69 2h1b s ASN 147 CO 0.04 -2.09 2.04 -0.65 -2.94 0.00 0.00 177.10 173.50 2h1b h PRO 148 N -1.18 0.00 -0.06 3.55 0.11 -1.73 -0.54 132.00 132.14 2h1b h PRO 148 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 2h1b h PRO 148 Cb 1.32 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.43 2h1b h PRO 148 CO 0.63 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 178.81 2h1b n GLU 149 N -3.11 1.62 -1.01 1.05 1.02 -1.26 -1.07 120.64 117.88 2h1b n GLU 149 Ca -0.01 -0.92 -0.00 0.00 -0.02 0.00 0.00 57.16 56.21 2h1b n GLU 149 Cb 0.33 -1.45 -0.00 0.00 -0.02 0.00 0.00 31.44 30.30 2h1b n GLU 149 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2h1b n GLY 150 N 1.14 0.45 3.90 0.62 0.00 -0.21 -5.02 105.19 106.06 2h1b n GLY 150 Ca 0.18 -0.70 -0.33 0.00 0.00 0.00 0.00 46.02 45.17 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 -1.37 3.51 -0.26 1.61 -0.14 -1.26 -0.89 119.74 120.94 2h1b s LYS 151 Ca 0.00 -0.23 -0.29 0.00 -1.36 0.00 0.00 55.97 54.09 2h1b s LYS 151 Cb 0.00 -3.05 0.01 0.00 -1.68 0.00 0.00 37.83 33.11 2h1b s LYS 151 CO 0.00 0.63 1.14 0.08 -0.76 0.00 0.00 175.35 176.43 2h1b s VAL 152 N -1.40 4.46 -0.02 3.17 1.01 0.31 -1.39 120.40 126.54 2h1b s VAL 152 Ca 0.31 1.72 -0.07 0.00 0.00 0.00 0.00 61.98 63.93 2h1b s VAL 152 Cb -0.13 -4.27 -0.29 0.00 0.00 0.00 0.00 36.38 31.69 2h1b s VAL 152 CO 0.20 -0.33 0.78 0.58 0.00 0.00 0.00 175.10 176.33 2h1b h VAL 153 N 5.65 1.06 -1.80 2.92 2.07 -0.55 0.27 116.25 125.85 2h1b h VAL 153 Ca -0.22 -2.66 0.01 0.00 0.82 0.00 0.00 66.70 64.65 2h1b h VAL 153 Cb 1.07 2.77 -0.23 0.00 -1.52 0.00 0.00 31.29 33.38 2h1b h VAL 153 CO 1.01 0.83 0.30 -0.75 0.02 0.00 0.00 177.57 178.98 2h1b s LYS 154 N -2.60 0.69 -0.22 1.57 2.47 -1.20 -2.96 119.74 117.50 2h1b s LYS 154 Ca -0.12 0.73 -0.06 0.00 -1.56 0.00 0.00 55.97 54.95 2h1b s LYS 154 Cb 0.06 0.34 -0.03 0.00 -1.46 0.00 0.00 37.83 36.74 2h1b s LYS 154 CO 0.86 -0.10 0.04 0.08 0.16 0.00 0.00 175.35 176.39 2h1b s VAL 155 N 0.13 4.27 -0.16 4.02 1.01 -1.26 -1.25 120.40 127.16 2h1b s VAL 155 Ca 0.01 -0.20 -0.01 0.00 0.00 0.00 0.00 61.98 61.78 2h1b s VAL 155 Cb -0.04 -2.96 -0.01 0.00 0.00 0.00 0.00 36.38 33.37 2h1b s VAL 155 CO -0.02 0.40 -0.12 -0.69 0.00 0.00 0.00 175.10 174.67 2h1b s VAL 156 N 1.12 2.96 0.32 2.92 1.01 0.59 -5.00 120.40 124.32 2h1b s VAL 156 Ca 0.04 -0.67 0.06 0.00 0.00 0.00 0.00 61.98 61.41 2h1b s VAL 156 Cb -0.14 -2.27 -0.06 0.00 0.00 0.00 0.00 36.38 33.90 2h1b s VAL 156 CO 0.03 0.50 -0.01 0.42 0.00 0.00 0.00 175.10 176.03 2h1b s THR 157 N 0.77 1.61 0.00 3.92 -4.23 -1.26 -1.29 115.64 115.16 2h1b s THR 157 Ca -0.05 -2.07 0.00 0.00 -1.18 0.00 0.00 61.69 58.39 2h1b s THR 157 Cb -0.15 -2.67 0.00 0.00 1.34 0.00 0.00 72.50 71.02 2h1b s THR 157 CO 0.01 -0.15 0.00 0.61 -0.54 0.00 0.00 174.62 174.55 2h1b n GLY 158 N -0.70 -1.04 3.73 3.99 0.00 -1.26 -4.85 105.19 105.06 2h1b n GLY 158 Ca -0.04 -1.23 -0.42 0.00 0.00 0.00 0.00 46.02 44.34 2h1b n GLY 158 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2h1b s THR 159 N 0.00 3.14 -0.35 2.61 2.01 -1.26 -4.92 115.64 116.88 2h1b s THR 159 Ca 0.00 0.89 0.01 0.00 0.31 0.00 0.00 61.69 62.90 2h1b s THR 159 Cb 0.00 -3.57 0.11 0.00 0.01 0.00 0.00 72.50 69.05 2h1b s THR 159 CO 0.00 0.11 0.13 -0.32 -0.69 0.00 0.00 174.62 173.84 2h1b s MET 160 N 0.36 0.94 0.85 4.92 1.75 -1.26 -5.11 119.30 121.76 2h1b s MET 160 Ca 0.61 -1.40 -0.12 0.00 -1.25 0.00 0.00 55.69 53.53 2h1b s MET 160 Cb -0.38 -2.22 0.10 0.00 2.84 0.00 0.00 34.83 35.18 2h1b s MET 160 CO 0.36 -1.03 1.10 0.95 -0.65 0.00 0.00 175.02 175.75 2h1b s THR 161 N 1.22 2.80 0.31 10.11 -4.23 -1.26 -4.85 115.64 119.75 2h1b s THR 161 Ca 0.12 0.26 0.01 0.00 -1.18 0.00 0.00 61.69 60.90 2h1b s THR 161 Cb -0.19 -2.90 0.18 0.00 1.34 0.00 0.00 72.50 70.93 2h1b s THR 161 CO -0.17 -0.34 1.88 -0.08 -0.54 0.00 0.00 174.62 175.37 2h1b h GLU 162 N -1.32 0.72 -0.70 3.99 4.81 -1.96 -0.99 114.58 119.13 2h1b h GLU 162 Ca -0.48 -0.13 0.02 0.00 -0.13 0.00 0.00 59.36 58.64 2h1b h GLU 162 Cb 1.28 -0.12 -0.04 0.00 0.63 0.00 0.00 28.75 30.50 2h1b h GLU 162 CO 0.58 0.64 0.45 1.03 -0.73 0.00 0.00 179.01 180.98 2h1b h SER 163 N 0.70 0.77 -0.63 1.04 0.87 -1.99 0.68 113.55 114.99 2h1b h SER 163 Ca 0.16 -0.01 -0.09 0.00 -1.23 0.00 0.00 61.79 60.62 2h1b h SER 163 Cb 0.24 -0.18 -0.02 0.00 -0.44 0.00 0.00 62.40 62.00 2h1b h SER 163 CO -0.01 0.54 0.04 0.24 -0.53 0.00 0.00 176.83 177.11 2h1b h MET 164 N 0.91 1.09 -0.19 2.24 2.86 -1.80 -1.09 114.93 118.95 2h1b h MET 164 Ca 0.27 -0.33 -0.00 0.00 -2.06 0.00 0.00 59.70 57.58 2h1b h MET 164 Cb -0.05 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 31.50 2h1b h MET 164 CO -0.08 1.04 0.11 0.82 1.06 0.00 0.00 176.91 179.85 2h1b h ILE 165 N 0.99 1.09 -0.15 -1.22 2.04 -0.82 0.12 117.51 119.56 2h1b h ILE 165 Ca 0.18 -0.24 0.03 0.00 1.00 0.00 0.00 64.86 65.83 2h1b h ILE 165 Cb 0.52 0.92 -0.03 0.00 -0.74 0.00 0.00 36.82 37.49 2h1b h ILE 165 CO 0.03 0.09 -0.06 -0.74 0.00 0.00 0.00 178.15 177.46 2h1b h HIS 166 N 0.21 -0.14 -0.57 1.37 2.76 -0.73 -0.29 115.15 117.76 2h1b h HIS 166 Ca 0.07 0.02 -0.07 0.00 -2.20 0.00 0.00 60.37 58.18 2h1b h HIS 166 Cb 0.05 0.09 -0.02 0.00 1.55 0.00 0.00 27.41 29.07 2h1b h HIS 166 CO -0.04 -0.10 0.07 -0.44 -1.30 0.00 0.00 177.93 176.11 2h1b h ASP 167 N -0.04 0.93 -0.43 3.26 3.32 -0.96 -0.78 116.42 121.73 2h1b h ASP 167 Ca 0.08 -0.27 -0.08 0.00 0.02 0.00 0.00 57.03 56.77 2h1b h ASP 167 Cb 0.16 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.45 2h1b h ASP 167 CO -0.18 0.97 -0.06 1.88 -1.72 0.00 0.00 179.24 180.14 2h1b h TYR 168 N 0.86 0.89 -0.82 4.55 0.05 -0.64 -1.20 116.97 120.66 2h1b h TYR 168 Ca 0.17 -0.18 0.04 0.00 0.05 0.00 0.00 58.73 58.82 2h1b h TYR 168 Cb 0.45 -0.22 -0.05 0.00 1.01 0.00 0.00 36.73 37.92 2h1b h TYR 168 CO 0.03 0.89 0.51 0.52 -1.05 0.00 0.00 178.16 179.07 2h1b h MET 169 N 0.63 0.95 -0.74 4.88 2.86 -0.98 -2.63 114.93 119.91 2h1b h MET 169 Ca 0.11 -0.06 -0.02 0.00 -2.06 0.00 0.00 59.70 57.68 2h1b h MET 169 Cb 0.58 -0.22 -0.04 0.00 0.06 0.00 0.00 31.60 31.99 2h1b h MET 169 CO 0.03 0.63 0.40 -0.97 1.06 0.00 0.00 176.91 178.06 2h1b h ASN 170 N 0.98 0.92 0.60 1.22 -1.24 -0.77 -2.56 115.58 114.73 2h1b h ASN 170 Ca 0.34 -0.08 -0.05 0.00 0.71 0.00 0.00 56.30 57.22 2h1b h ASN 170 Cb 0.06 -0.23 -0.01 0.00 0.73 0.00 0.00 38.32 38.87 2h1b h ASN 170 CO -0.13 0.75 -0.21 -0.07 -1.29 0.00 0.00 177.43 176.47 2h1b h LEU 171 N 1.03 0.00 -1.82 0.34 3.38 -0.87 -3.12 115.31 114.24 2h1b h LEU 171 Ca 0.26 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.23 2h1b h LEU 171 Cb 0.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.79 2h1b h LEU 171 CO -0.04 0.21 0.00 2.30 0.09 0.00 0.00 178.44 181.00 2h1b n ILE 172 N -3.60 0.07 -2.20 1.22 -5.35 -1.00 -4.99 119.36 103.51 2h1b n ILE 172 Ca -0.01 -0.53 -0.38 0.00 -0.27 0.00 0.00 62.75 61.56 2h1b n ILE 172 Cb 0.35 1.35 -0.01 0.00 -1.74 0.00 0.00 39.64 39.59 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 -1.59 3.85 0.07 6.28 -2.85 -1.00 -3.44 119.74 121.07 2h1b s LYS 173 Ca 0.24 1.90 0.26 0.00 -1.00 0.00 0.00 55.97 57.37 2h1b s LYS 173 Cb 0.17 -2.55 1.03 0.00 -2.06 0.00 0.00 37.83 34.41 2h1b s LYS 173 CO 0.25 -0.51 1.81 -0.35 0.10 0.00 0.00 175.35 176.65 2h1b n PRO 174 N -0.22 0.08 0.00 1.78 -0.04 -1.26 -4.93 135.00 130.41 2h1b n PRO 174 Ca 0.06 0.12 0.00 0.00 -0.04 0.00 0.00 63.50 63.64 2h1b n PRO 174 Cb 0.46 -1.60 0.00 0.00 -0.04 0.00 0.00 33.50 32.33 2h1b n PRO 174 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87