#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1t44 n HIS 29 N 0.00 2.55 -0.34 4.31 -0.00 -1.26 -4.89 115.22 115.58 1t44 n HIS 29 Ca 0.00 0.09 0.12 0.00 0.46 0.00 0.00 57.72 58.39 1t44 n HIS 29 Cb 0.00 -2.64 0.32 0.00 -0.12 0.00 0.00 29.99 27.55 1t44 n HIS 29 CO 0.00 0.00 0.00 -1.35 0.46 0.00 0.00 176.34 175.45 1t44 h PRO 30 N 6.88 0.77 -0.01 1.57 0.11 -2.00 -1.86 132.00 137.45 1t44 h PRO 30 Ca -0.44 -0.05 -0.11 0.00 0.11 0.00 0.00 66.00 65.51 1t44 h PRO 30 Cb 1.23 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 32.15 1t44 h PRO 30 CO 0.93 0.51 -0.50 0.93 -0.21 0.00 0.00 178.00 179.66 1t44 h GLU 31 N 0.79 0.02 -0.63 1.05 4.39 -1.91 -2.68 114.58 115.61 1t44 h GLU 31 Ca 0.55 -0.01 -0.07 0.00 0.34 0.00 0.00 59.36 60.16 1t44 h GLU 31 Cb 0.81 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.44 1t44 h GLU 31 CO -0.33 0.51 0.11 0.74 -1.16 0.00 0.00 179.01 178.89 1t44 h PHE 32 N 0.02 1.08 0.00 4.33 -1.00 -1.72 -2.11 116.94 117.54 1t44 h PHE 32 Ca -0.00 -0.14 -0.02 0.00 2.81 0.00 0.00 57.97 60.62 1t44 h PHE 32 Cb 0.88 -0.30 -0.00 0.00 3.61 0.00 0.00 35.95 40.14 1t44 h PHE 32 CO 0.00 0.91 -0.11 -0.07 -1.61 0.00 0.00 178.31 177.43 1t44 h LEU 33 N 0.97 0.00 0.00 1.54 4.07 -1.27 -2.45 115.31 118.17 1t44 h LEU 33 Ca 0.20 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.16 1t44 h LEU 33 Cb 0.40 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.14 1t44 h LEU 33 CO 0.01 0.11 -0.78 0.11 -1.08 0.00 0.00 178.44 176.81 1t44 h LYS 34 N 0.00 0.00 -6.55 1.13 1.57 -1.29 -3.47 116.57 107.96 1t44 h LYS 34 Ca -0.00 0.00 -0.53 0.00 -1.87 0.00 0.00 60.65 58.25 1t44 h LYS 34 Cb 0.20 0.00 0.02 0.00 0.08 0.00 0.00 32.23 32.53 1t44 h LYS 34 CO 0.01 0.00 0.69 0.00 -0.57 0.00 0.00 179.45 179.58 1t44 s ALA 35 N -3.28 3.55 -0.85 3.86 0.00 -0.82 -3.88 121.76 120.34 1t44 s ALA 35 Ca 0.03 1.07 0.00 0.00 0.00 0.00 0.00 51.96 53.06 1t44 s ALA 35 Cb 0.11 -3.52 0.00 0.00 0.00 0.00 0.00 23.12 19.71 1t44 s ALA 35 CO 0.76 -0.57 0.00 0.41 0.00 0.00 0.00 175.76 176.35 1t44 n GLY 36 N 3.34 -0.02 0.09 0.00 0.00 -1.26 -4.92 105.19 102.41 1t44 n GLY 36 Ca 0.11 -0.47 -0.04 0.00 0.00 0.00 0.00 46.02 45.62 1t44 n GLY 36 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1t44 h LYS 37 N 0.00 0.00 -4.17 1.61 1.57 -1.92 -3.48 116.57 110.19 1t44 h LYS 37 Ca -0.24 0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 58.41 1t44 h LYS 37 Cb 1.17 0.00 -0.14 0.00 0.08 0.00 0.00 32.23 33.33 1t44 h LYS 37 CO 0.28 0.50 -0.56 -1.83 -0.57 0.00 0.00 179.45 177.27 1t44 s GLU 38 N -2.79 0.84 0.42 3.15 -1.05 -1.26 -5.14 118.70 112.87 1t44 s GLU 38 Ca -0.02 -1.24 -0.26 0.00 -0.15 0.00 0.00 54.97 53.30 1t44 s GLU 38 Cb 0.08 0.27 -0.09 0.00 -0.44 0.00 0.00 34.13 33.95 1t44 s GLU 38 CO 0.81 -0.24 1.45 -2.14 0.95 0.00 0.00 175.26 176.09 1t44 s PRO 39 N -3.96 3.88 0.00 -4.83 0.02 -1.26 -4.76 135.00 124.09 1t44 s PRO 39 Ca 0.14 2.47 0.00 0.00 0.02 0.00 0.00 61.00 63.63 1t44 s PRO 39 Cb 0.06 -2.79 0.00 0.00 0.02 0.00 0.00 34.50 31.79 1t44 s PRO 39 CO -0.05 -0.68 0.00 0.41 -0.33 0.00 0.00 177.00 176.35 1t44 n GLY 40 N 0.54 0.10 3.36 0.52 0.00 -0.05 -4.97 105.19 104.69 1t44 n GLY 40 Ca 0.03 -1.56 -0.32 0.00 0.00 0.00 0.00 46.02 44.16 1t44 n GLY 40 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1t44 s LEU 41 N 0.00 2.53 -0.05 0.99 0.20 -1.26 -1.07 118.68 120.02 1t44 s LEU 41 Ca 0.00 -0.35 0.04 0.00 0.69 0.00 0.00 54.13 54.50 1t44 s LEU 41 Cb 0.00 -1.53 0.00 0.00 -0.43 0.00 0.00 46.19 44.23 1t44 s LEU 41 CO 0.00 0.22 -0.17 -1.10 -0.29 0.00 0.00 176.35 175.02 1t44 s GLN 42 N -0.02 1.91 -0.06 1.98 -0.21 -0.26 -5.00 119.66 118.00 1t44 s GLN 42 Ca -0.05 -0.59 0.02 0.00 0.02 0.00 0.00 55.36 54.76 1t44 s GLN 42 Cb -0.14 -1.60 0.01 0.00 1.00 0.00 0.00 33.01 32.28 1t44 s GLN 42 CO 0.04 0.19 -0.12 0.42 -2.12 0.00 0.00 175.29 173.70 1t44 s ILE 43 N 0.22 1.10 0.14 1.08 1.01 -1.26 -1.07 121.20 122.41 1t44 s ILE 43 Ca -0.08 -0.45 0.10 0.00 0.00 0.00 0.00 60.65 60.21 1t44 s ILE 43 Cb -0.13 -1.01 -0.04 0.00 0.01 0.00 0.00 42.46 41.29 1t44 s ILE 43 CO 0.03 0.35 -0.23 0.26 0.00 0.00 0.00 174.94 175.35 1t44 s TRP 44 N 0.70 2.07 -0.07 3.97 0.51 0.05 -1.15 118.94 125.02 1t44 s TRP 44 Ca -0.14 -0.40 0.02 0.00 -2.12 0.00 0.00 56.10 53.46 1t44 s TRP 44 Cb -0.16 -1.09 -0.03 0.00 -0.81 0.00 0.00 33.47 31.38 1t44 s TRP 44 CO 0.03 0.32 -0.11 0.50 -0.51 0.00 0.00 176.95 177.18 1t44 s ARG 45 N -2.22 2.75 -0.04 4.98 3.52 0.16 -0.84 118.95 127.26 1t44 s ARG 45 Ca 0.13 -0.64 -0.30 0.00 -0.13 0.00 0.00 55.73 54.79 1t44 s ARG 45 Cb -0.09 -2.50 -0.05 0.00 -1.56 0.00 0.00 34.95 30.75 1t44 s ARG 45 CO 0.06 0.57 1.43 0.08 -0.81 0.00 0.00 175.30 176.63 1t44 s VAL 46 N -0.57 3.77 -0.23 7.11 1.01 -0.53 -1.50 120.40 129.47 1t44 s VAL 46 Ca 0.08 1.08 -0.03 0.00 0.00 0.00 0.00 61.98 63.11 1t44 s VAL 46 Cb -0.12 -3.69 0.08 0.00 0.00 0.00 0.00 36.38 32.65 1t44 s VAL 46 CO 0.02 -0.04 0.08 -1.61 0.00 0.00 0.00 175.10 173.55 1t44 s GLU 47 N 2.92 0.43 -1.19 2.72 2.02 -0.16 -4.75 118.70 120.70 1t44 s GLU 47 Ca 0.64 -0.49 -0.20 0.00 0.02 0.00 0.00 54.97 54.95 1t44 s GLU 47 Cb -0.30 -1.82 -0.00 0.00 0.10 0.00 0.00 34.13 32.11 1t44 s GLU 47 CO 0.25 -0.79 0.73 1.63 0.02 0.00 0.00 175.26 177.10 1t44 n LYS 48 N 5.11 -1.40 -1.33 1.61 5.02 -1.26 -1.91 118.16 124.00 1t44 n LYS 48 Ca -0.07 0.40 -0.11 0.00 -2.02 0.00 0.00 58.31 56.51 1t44 n LYS 48 Cb 0.45 -3.96 -0.05 0.00 -0.02 0.00 0.00 35.03 31.45 1t44 n LYS 48 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 1t44 n PHE 49 N -4.34 0.00 -4.38 2.13 3.01 -1.26 -4.96 117.46 107.67 1t44 n PHE 49 Ca -0.13 0.00 -0.19 0.00 1.01 0.00 0.00 57.45 58.14 1t44 n PHE 49 Cb 0.60 -2.15 -0.10 0.00 -0.01 0.00 0.00 39.48 37.82 1t44 n PHE 49 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 1t44 s ASP 50 N -2.81 2.48 -0.35 4.37 2.15 -0.80 -5.12 116.67 116.58 1t44 s ASP 50 Ca 0.00 -1.14 -0.09 0.00 0.43 0.00 0.00 52.55 51.76 1t44 s ASP 50 Cb 0.00 -0.12 0.03 0.00 -0.30 0.00 0.00 42.92 42.53 1t44 s ASP 50 CO 0.00 -0.32 0.15 -0.22 -0.17 0.00 0.00 175.17 174.61 1t44 s LEU 51 N -3.36 4.44 -0.13 -1.34 0.20 -1.26 -0.99 118.68 116.23 1t44 s LEU 51 Ca 0.26 -0.98 0.01 0.00 0.69 0.00 0.00 54.13 54.12 1t44 s LEU 51 Cb 0.03 -1.95 -0.00 0.00 -0.43 0.00 0.00 46.19 43.83 1t44 s LEU 51 CO 0.09 -0.33 -0.17 -0.69 -0.29 0.00 0.00 176.35 174.96 1t44 s VAL 52 N 1.50 2.61 0.32 1.68 1.01 -0.56 -4.93 120.40 122.03 1t44 s VAL 52 Ca 0.01 -0.81 -0.29 0.00 0.00 0.00 0.00 61.98 60.89 1t44 s VAL 52 Cb -0.19 -2.08 -0.11 0.00 0.00 0.00 0.00 36.38 34.01 1t44 s VAL 52 CO 0.05 0.53 1.47 -2.16 0.00 0.00 0.00 175.10 174.99 1t44 s PRO 53 N 0.56 4.19 0.16 2.72 0.04 -1.26 -0.66 135.00 140.74 1t44 s PRO 53 Ca -0.10 2.46 -0.30 0.00 0.04 0.00 0.00 61.00 63.09 1t44 s PRO 53 Cb -0.16 -3.03 -0.07 0.00 0.04 0.00 0.00 34.50 31.28 1t44 s PRO 53 CO 0.04 -0.47 1.03 0.08 0.04 0.00 0.00 177.00 177.72 1t44 s VAL 54 N -0.62 4.11 0.26 -0.36 1.01 -0.30 -4.79 120.40 119.71 1t44 s VAL 54 Ca 0.56 1.83 -0.31 0.00 0.00 0.00 0.00 61.98 64.06 1t44 s VAL 54 Cb -0.45 -4.17 -0.13 0.00 0.00 0.00 0.00 36.38 31.64 1t44 s VAL 54 CO 0.53 0.32 1.44 -2.65 0.00 0.00 0.00 175.10 174.74 1t44 n PRO 55 N 2.42 2.20 -0.17 2.72 -0.02 -1.26 -4.86 135.00 136.02 1t44 n PRO 55 Ca 0.02 0.78 0.13 0.00 -2.02 0.00 0.00 63.50 62.41 1t44 n PRO 55 Cb 0.47 -2.46 0.46 0.00 -0.02 0.00 0.00 33.50 31.95 1t44 n PRO 55 CO 0.00 0.00 0.00 1.15 1.98 0.00 0.00 175.50 178.63 1t44 h THR 56 N 3.07 0.85 0.00 3.45 2.02 -1.96 -1.03 112.91 119.30 1t44 h THR 56 Ca -0.46 -0.18 0.00 0.00 0.77 0.00 0.00 66.41 66.55 1t44 h THR 56 Cb 1.26 0.29 0.00 0.00 -1.74 0.00 0.00 68.15 67.96 1t44 h THR 56 CO 0.75 0.09 0.00 -0.46 0.37 0.00 0.00 175.52 176.28 1t44 n ASN 57 N -4.49 0.00 -1.06 4.18 6.94 -1.26 -2.74 115.26 116.83 1t44 n ASN 57 Ca 0.14 0.46 0.09 0.00 -0.02 0.00 0.00 54.58 55.25 1t44 n ASN 57 Cb 0.44 -0.48 0.25 0.00 -2.36 0.00 0.00 39.78 37.63 1t44 n ASN 57 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 1t44 n LEU 58 N -1.48 3.61 -4.73 -4.53 4.77 -0.39 -5.00 117.00 109.25 1t44 n LEU 58 Ca 0.05 -2.09 -0.42 0.00 -0.03 0.00 0.00 56.01 53.53 1t44 n LEU 58 Cb 0.23 -0.39 -0.03 0.00 -2.33 0.00 0.00 43.42 40.90 1t44 n LEU 58 CO 0.19 0.85 1.28 -0.31 -1.33 0.00 0.00 177.39 178.07 1t44 s TYR 59 N -1.16 2.94 0.00 -1.77 1.51 -1.11 -2.36 117.35 115.41 1t44 s TYR 59 Ca 0.38 0.56 0.00 0.00 -1.01 0.00 0.00 57.07 57.01 1t44 s TYR 59 Cb 0.21 -4.03 0.00 0.00 -0.11 0.00 0.00 41.96 38.03 1t44 s TYR 59 CO 0.24 -3.77 0.00 0.41 -1.11 0.00 0.00 175.55 171.32 1t44 n GLY 60 N 3.47 1.29 3.30 0.71 0.00 -1.26 -5.02 105.19 107.69 1t44 n GLY 60 Ca 0.13 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.69 1t44 n GLY 60 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1t44 s ASP 61 N -2.28 6.30 -0.21 1.61 1.01 -1.00 -0.60 116.67 121.50 1t44 s ASP 61 Ca 0.00 -2.07 -0.11 0.00 0.71 0.00 0.00 52.55 51.07 1t44 s ASP 61 Cb 0.00 -2.19 -0.05 0.00 1.01 0.00 0.00 42.92 41.69 1t44 s ASP 61 CO 0.00 -0.76 0.19 -0.36 0.21 0.00 0.00 175.17 174.45 1t44 s PHE 62 N 1.15 3.38 -0.01 4.23 0.40 -0.22 -4.92 117.98 121.98 1t44 s PHE 62 Ca 0.08 0.36 -0.30 0.00 -0.60 0.00 0.00 56.93 56.46 1t44 s PHE 62 Cb -0.24 -2.26 -0.06 0.00 0.51 0.00 0.00 43.02 40.97 1t44 s PHE 62 CO -0.01 0.17 1.53 -0.06 0.70 0.00 0.00 175.22 177.56 1t44 s PHE 63 N 0.73 2.46 -0.89 0.36 2.99 -1.26 -1.34 117.98 121.03 1t44 s PHE 63 Ca 0.10 0.51 0.24 0.00 0.00 0.00 0.00 56.93 57.78 1t44 s PHE 63 Cb -0.13 -3.81 0.97 0.00 0.00 0.00 0.00 43.02 40.06 1t44 s PHE 63 CO 0.02 -3.19 1.76 0.25 -0.00 0.00 0.00 175.22 174.06 1t44 n THR 64 N 5.00 0.46 1.60 0.64 -2.24 -0.01 -1.84 114.28 117.90 1t44 n THR 64 Ca 0.15 0.04 0.11 0.00 -2.27 0.00 0.00 64.05 62.08 1t44 n THR 64 Cb 0.43 -0.72 0.52 0.00 -2.10 0.00 0.00 70.33 68.46 1t44 n THR 64 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1t44 n GLY 65 N 0.91 -0.31 3.52 3.38 0.00 -0.25 -0.77 105.19 111.67 1t44 n GLY 65 Ca 0.05 -0.30 -0.25 0.00 0.00 0.00 0.00 46.02 45.52 1t44 n GLY 65 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1t44 s ASP 66 N -1.70 2.84 0.02 1.61 -0.00 -0.76 -3.64 116.67 115.04 1t44 s ASP 66 Ca 0.34 -1.50 0.06 0.00 -0.00 0.00 0.00 52.55 51.45 1t44 s ASP 66 Cb 0.17 0.13 -0.02 0.00 -0.00 0.00 0.00 42.92 43.20 1t44 s ASP 66 CO 0.27 -0.72 -0.17 0.00 -0.00 0.00 0.00 175.17 174.56 1t44 s ALA 67 N -3.17 1.44 0.11 5.23 0.00 -1.26 -1.34 121.76 122.78 1t44 s ALA 67 Ca 0.29 -0.85 0.03 0.00 0.00 0.00 0.00 51.96 51.43 1t44 s ALA 67 Cb 0.06 -0.30 -0.04 0.00 0.00 0.00 0.00 23.12 22.84 1t44 s ALA 67 CO 0.14 0.32 -0.09 0.71 0.00 0.00 0.00 175.76 176.84 1t44 s TYR 68 N -0.64 1.08 -0.08 0.00 1.51 -0.41 -1.45 117.35 117.36 1t44 s TYR 68 Ca 0.05 -0.76 0.04 0.00 -1.01 0.00 0.00 57.07 55.39 1t44 s TYR 68 Cb -0.08 -0.58 0.00 0.00 -0.11 0.00 0.00 41.96 41.19 1t44 s TYR 68 CO 0.01 -0.01 -0.21 0.08 -1.11 0.00 0.00 175.55 174.31 1t44 s VAL 69 N -3.06 1.77 -0.08 0.71 1.01 -0.02 -0.95 120.40 119.77 1t44 s VAL 69 Ca 0.11 -0.86 0.02 0.00 0.00 0.00 0.00 61.98 61.25 1t44 s VAL 69 Cb 0.01 -1.54 0.01 0.00 0.00 0.00 0.00 36.38 34.87 1t44 s VAL 69 CO -0.01 0.50 -0.13 -0.63 0.00 0.00 0.00 175.10 174.82 1t44 s ILE 70 N 0.33 1.30 -0.21 2.22 1.09 0.23 -0.77 121.20 125.38 1t44 s ILE 70 Ca -0.15 -0.55 0.00 0.00 -1.10 0.00 0.00 60.65 58.86 1t44 s ILE 70 Cb -0.16 -1.19 0.02 0.00 -1.06 0.00 0.00 42.46 40.07 1t44 s ILE 70 CO 0.06 0.40 -0.14 -0.22 -0.10 0.00 0.00 174.94 174.94 1t44 s LEU 71 N 0.84 2.62 -0.26 2.97 2.96 -0.24 -0.95 118.68 126.62 1t44 s LEU 71 Ca -0.11 -0.79 -0.12 0.00 -0.22 0.00 0.00 54.13 52.89 1t44 s LEU 71 Cb -0.15 -1.55 -0.05 0.00 0.50 0.00 0.00 46.19 44.94 1t44 s LEU 71 CO 0.01 -0.06 0.24 -0.75 -1.32 0.00 0.00 176.35 174.47 1t44 s LYS 72 N 1.28 4.00 -0.23 1.98 2.47 -0.24 -1.10 119.74 127.91 1t44 s LYS 72 Ca 0.02 -0.20 -0.05 0.00 -1.56 0.00 0.00 55.97 54.18 1t44 s LYS 72 Cb -0.15 -3.63 -0.02 0.00 -1.46 0.00 0.00 37.83 32.58 1t44 s LYS 72 CO -0.09 -0.14 -0.01 0.99 0.16 0.00 0.00 175.35 176.26 1t44 s THR 73 N 1.65 3.69 -0.12 3.43 2.01 -0.23 -1.47 115.64 124.60 1t44 s THR 73 Ca 0.10 -0.39 0.01 0.00 0.31 0.00 0.00 61.69 61.72 1t44 s THR 73 Cb -0.15 -2.69 -0.01 0.00 0.01 0.00 0.00 72.50 69.65 1t44 s THR 73 CO 0.09 0.40 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.59 1t44 s VAL 74 N 1.46 2.95 -0.44 3.82 1.01 -0.10 -0.87 120.40 128.23 1t44 s VAL 74 Ca 0.05 -0.71 -0.29 0.00 0.00 0.00 0.00 61.98 61.04 1t44 s VAL 74 Cb -0.14 -2.22 0.02 0.00 0.00 0.00 0.00 36.38 34.03 1t44 s VAL 74 CO -0.01 0.54 1.31 -1.58 0.00 0.00 0.00 175.10 175.36 1t44 s GLN 75 N 0.21 3.62 0.59 2.72 2.00 -1.26 -0.45 119.66 127.09 1t44 s GLN 75 Ca -0.09 0.79 -0.14 0.00 -2.00 0.00 0.00 55.36 53.92 1t44 s GLN 75 Cb -0.15 -3.99 -0.04 0.00 0.80 0.00 0.00 33.01 29.62 1t44 s GLN 75 CO 0.05 -1.52 1.03 -0.51 -0.50 0.00 0.00 175.29 173.84 1t44 s LEU 76 N 5.11 3.40 0.50 3.68 1.02 -0.44 -4.97 118.68 126.98 1t44 s LEU 76 Ca 0.56 1.59 0.17 0.00 0.02 0.00 0.00 54.13 56.47 1t44 s LEU 76 Cb -0.11 -4.50 1.21 0.00 0.02 0.00 0.00 46.19 42.81 1t44 s LEU 76 CO 0.32 -0.94 2.09 0.03 0.02 0.00 0.00 176.35 177.88 1t44 h ARG 77 N 0.19 0.00 0.00 1.70 3.08 -1.96 -2.20 114.38 115.19 1t44 h ARG 77 Ca -0.45 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.60 1t44 h ARG 77 Cb 1.20 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.25 1t44 h ARG 77 CO 0.60 0.07 0.00 0.27 -1.07 0.00 0.00 179.97 179.84 1t44 n ASN 78 N -4.38 0.00 0.00 7.04 2.04 -1.26 -4.87 115.26 113.83 1t44 n ASN 78 Ca -0.03 -1.04 0.00 0.00 -0.44 0.00 0.00 54.58 53.07 1t44 n ASN 78 Cb 0.15 0.00 0.00 0.00 -2.53 0.00 0.00 39.78 37.40 1t44 n ASN 78 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 1t44 n GLY 79 N 0.31 3.23 3.79 4.83 0.00 -0.83 -5.04 105.19 111.49 1t44 n GLY 79 Ca 0.09 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.80 1t44 n GLY 79 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1t44 s ASN 80 N -0.95 4.90 -0.14 1.61 -0.87 -1.26 -4.80 114.94 113.43 1t44 s ASN 80 Ca 0.00 1.76 -0.07 0.00 -1.57 0.00 0.00 52.86 52.98 1t44 s ASN 80 Cb 0.00 -2.51 -0.04 0.00 -0.02 0.00 0.00 41.25 38.67 1t44 s ASN 80 CO 0.00 -1.77 0.12 -0.76 -2.57 0.00 0.00 177.10 172.12 1t44 s LEU 81 N -5.66 4.21 -0.13 0.60 1.43 -1.26 -1.33 118.68 116.54 1t44 s LEU 81 Ca 0.61 0.33 -0.06 0.00 -1.03 0.00 0.00 54.13 53.98 1t44 s LEU 81 Cb -0.16 -2.04 -0.04 0.00 0.03 0.00 0.00 46.19 43.98 1t44 s LEU 81 CO 0.54 0.32 0.08 -1.58 0.23 0.00 0.00 176.35 175.94 1t44 s GLN 82 N -0.50 3.49 -0.12 1.70 0.74 0.40 -4.95 119.66 120.42 1t44 s GLN 82 Ca 0.12 -0.27 0.02 0.00 0.05 0.00 0.00 55.36 55.27 1t44 s GLN 82 Cb -0.12 -3.09 0.01 0.00 1.10 0.00 0.00 33.01 30.92 1t44 s GLN 82 CO 0.02 0.60 -0.17 0.71 -0.55 0.00 0.00 175.29 175.90 1t44 s TYR 83 N -0.55 2.18 -0.15 1.67 4.12 -1.26 -0.92 117.35 122.44 1t44 s TYR 83 Ca 0.11 -1.07 0.02 0.00 0.02 0.00 0.00 57.07 56.15 1t44 s TYR 83 Cb -0.12 -1.54 0.01 0.00 -1.52 0.00 0.00 41.96 38.79 1t44 s TYR 83 CO 0.02 -0.53 -0.21 -0.51 0.02 0.00 0.00 175.55 174.34 1t44 s ASP 84 N 0.99 3.17 -0.22 2.29 1.01 -0.54 -2.08 116.67 121.28 1t44 s ASP 84 Ca -0.06 -0.60 -0.05 0.00 0.71 0.00 0.00 52.55 52.56 1t44 s ASP 84 Cb -0.15 -1.46 -0.02 0.00 1.01 0.00 0.00 42.92 42.30 1t44 s ASP 84 CO -0.03 0.07 -0.01 -0.76 0.21 0.00 0.00 175.17 174.65 1t44 s LEU 85 N 0.90 3.07 -0.09 1.23 1.43 -0.12 -1.08 118.68 124.02 1t44 s LEU 85 Ca -0.05 -0.32 0.04 0.00 -1.03 0.00 0.00 54.13 52.77 1t44 s LEU 85 Cb -0.15 -1.79 -0.01 0.00 0.03 0.00 0.00 46.19 44.27 1t44 s LEU 85 CO -0.04 -0.00 -0.21 -1.00 0.23 0.00 0.00 176.35 175.33 1t44 s HIS 86 N 1.38 2.60 -0.19 0.29 3.76 -0.12 -0.81 115.29 122.19 1t44 s HIS 86 Ca 0.05 -0.76 -0.03 0.00 -0.15 0.00 0.00 55.06 54.17 1t44 s HIS 86 Cb -0.14 -1.70 -0.01 0.00 1.11 0.00 0.00 32.58 31.83 1t44 s HIS 86 CO -0.01 -0.24 -0.05 1.52 -0.85 0.00 0.00 174.74 175.11 1t44 s TYR 87 N 0.08 2.95 -0.18 1.40 -0.85 -0.57 -0.60 117.35 119.58 1t44 s TYR 87 Ca -0.09 -0.75 -0.06 0.00 -0.52 0.00 0.00 57.07 55.65 1t44 s TYR 87 Cb -0.15 -2.04 -0.03 0.00 0.38 0.00 0.00 41.96 40.12 1t44 s TYR 87 CO 0.06 -0.39 0.01 -0.46 -1.52 0.00 0.00 175.55 173.25 1t44 s TRP 88 N 1.08 3.12 -0.25 -3.49 -0.00 -0.12 -0.67 118.94 118.61 1t44 s TRP 88 Ca 0.01 -0.18 -0.01 0.00 -0.00 0.00 0.00 56.10 55.92 1t44 s TRP 88 Cb -0.15 -2.04 0.03 0.00 -0.00 0.00 0.00 33.47 31.32 1t44 s TRP 88 CO -0.00 -0.01 -0.08 -0.51 -0.00 0.00 0.00 176.95 176.35 1t44 s LEU 89 N 0.53 3.17 0.52 5.86 1.43 -0.13 -1.28 118.68 128.78 1t44 s LEU 89 Ca -0.00 -0.96 -0.20 0.00 -1.03 0.00 0.00 54.13 51.93 1t44 s LEU 89 Cb -0.14 -1.63 -0.06 0.00 0.03 0.00 0.00 46.19 44.39 1t44 s LEU 89 CO 0.02 -0.13 1.13 -0.83 0.23 0.00 0.00 176.35 176.76 1t44 s GLY 90 N 1.28 2.65 0.48 -3.19 0.00 -0.45 -2.28 107.32 105.81 1t44 s GLY 90 Ca -0.01 0.82 0.20 0.00 0.00 0.00 0.00 44.72 45.73 1t44 s GLY 90 CO -0.05 1.20 1.96 -0.57 0.00 0.00 0.00 173.10 175.64 1t44 h ASN 91 N 1.39 0.20 -0.42 1.64 -1.24 -1.80 -2.51 115.58 112.85 1t44 h ASN 91 Ca -0.50 0.01 0.00 0.00 0.71 0.00 0.00 56.30 56.52 1t44 h ASN 91 Cb 1.26 -0.03 0.00 0.00 0.73 0.00 0.00 38.32 40.28 1t44 h ASN 91 CO 0.58 0.11 0.00 -0.62 -1.29 0.00 0.00 177.43 176.20 1t44 n GLU 92 N -4.43 3.03 -2.20 6.67 4.71 0.05 -5.03 120.64 123.46 1t44 n GLU 92 Ca 0.11 -2.44 -0.36 0.00 -0.01 0.00 0.00 57.16 54.47 1t44 n GLU 92 Cb 0.55 -1.54 0.01 0.00 -1.01 0.00 0.00 31.44 29.45 1t44 n GLU 92 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1t44 s SER 94 N -1.63 5.90 0.32 0.00 1.04 -1.26 -4.89 113.70 113.19 1t44 s SER 94 Ca 0.72 0.87 0.02 0.00 0.48 0.00 0.00 55.95 58.04 1t44 s SER 94 Cb -0.27 -1.99 0.58 0.00 0.10 0.00 0.00 66.02 64.44 1t44 s SER 94 CO 0.30 -0.87 1.93 -0.61 0.98 0.00 0.00 173.24 174.98 1t44 h GLN 95 N -0.05 0.93 -0.06 4.02 4.15 -1.99 -1.07 115.11 121.05 1t44 h GLN 95 Ca -0.46 -0.06 -0.04 0.00 0.77 0.00 0.00 58.65 58.86 1t44 h GLN 95 Cb 1.23 -0.21 -0.01 0.00 0.21 0.00 0.00 27.48 28.70 1t44 h GLN 95 CO 0.61 0.62 -0.16 0.38 -1.93 0.00 0.00 178.83 178.35 1t44 h ASP 96 N 0.96 0.08 -0.01 -0.69 2.03 -1.99 -1.65 116.42 115.17 1t44 h ASP 96 Ca 0.35 -0.02 -0.06 0.00 -0.73 0.00 0.00 57.03 56.57 1t44 h ASP 96 Cb 0.16 -0.02 0.00 0.00 -0.83 0.00 0.00 39.33 38.64 1t44 h ASP 96 CO -0.12 0.26 -0.25 -0.33 -1.03 0.00 0.00 179.24 177.77 1t44 h GLU 97 N 0.09 0.18 -0.34 4.15 5.08 -1.60 -1.29 114.58 120.85 1t44 h GLU 97 Ca 0.02 -0.19 -0.15 0.00 -1.00 0.00 0.00 59.36 58.04 1t44 h GLU 97 Cb 0.35 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.64 1t44 h GLU 97 CO 0.02 0.91 -0.39 0.66 -1.00 0.00 0.00 179.01 179.21 1t44 h SER 98 N -0.47 0.87 -0.47 1.42 4.64 -1.37 -0.81 113.55 117.36 1t44 h SER 98 Ca -0.03 -0.40 -0.02 0.00 -0.47 0.00 0.00 61.79 60.88 1t44 h SER 98 Cb 0.99 -0.25 -0.02 0.00 -0.31 0.00 0.00 62.40 62.81 1t44 h SER 98 CO 0.05 1.16 0.22 1.23 -0.87 0.00 0.00 176.83 178.62 1t44 h GLY 99 N 0.87 0.73 1.10 -0.77 0.00 -1.39 -2.42 103.07 101.20 1t44 h GLY 99 Ca 0.06 -0.37 -0.07 0.00 0.00 0.00 0.00 47.33 46.95 1t44 h GLY 99 CO 0.09 0.35 0.15 0.00 0.00 0.00 0.00 176.54 177.13 1t44 h ALA 100 N 1.06 0.97 -0.77 3.60 0.00 -1.06 -1.66 119.26 121.40 1t44 h ALA 100 Ca 0.16 -0.25 0.02 0.00 0.00 0.00 0.00 54.91 54.84 1t44 h ALA 100 Cb 0.13 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 17.61 1t44 h ALA 100 CO -0.02 0.66 0.50 0.00 0.00 0.00 0.00 179.25 180.39 1t44 h ALA 101 N 1.11 0.99 -0.11 0.00 0.00 -1.03 0.42 119.26 120.64 1t44 h ALA 101 Ca 0.21 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 1t44 h ALA 101 Cb 0.39 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 1t44 h ALA 101 CO 0.00 0.33 0.03 0.00 0.00 0.00 0.00 179.25 179.61 1t44 h ALA 102 N 1.31 0.15 -0.41 0.00 0.00 -1.20 -1.99 119.26 117.12 1t44 h ALA 102 Ca 0.30 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 55.02 1t44 h ALA 102 Cb -0.04 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 1t44 h ALA 102 CO -0.09 -0.21 0.08 0.82 0.00 0.00 0.00 179.25 179.84 1t44 h ILE 103 N -0.03 1.24 -0.73 0.00 2.04 -1.08 -2.37 117.51 116.58 1t44 h ILE 103 Ca 0.04 -0.85 0.03 0.00 1.00 0.00 0.00 64.86 65.08 1t44 h ILE 103 Cb 0.26 1.00 -0.04 0.00 -0.74 0.00 0.00 36.82 37.30 1t44 h ILE 103 CO 0.00 0.29 0.48 -0.26 0.00 0.00 0.00 178.15 178.67 1t44 h PHE 104 N 0.54 0.87 -0.34 1.37 0.05 -0.93 -1.46 116.94 117.04 1t44 h PHE 104 Ca 0.13 0.02 -0.02 0.00 3.82 0.00 0.00 57.97 61.92 1t44 h PHE 104 Cb 0.35 -0.29 -0.01 0.00 2.00 0.00 0.00 35.95 38.00 1t44 h PHE 104 CO 0.02 0.51 0.13 1.15 -0.18 0.00 0.00 178.31 179.95 1t44 h THR 105 N 0.91 1.19 -0.46 -1.55 2.02 -1.01 -0.80 112.91 113.20 1t44 h THR 105 Ca 0.29 -0.58 0.00 0.00 0.77 0.00 0.00 66.41 66.89 1t44 h THR 105 Cb 0.04 0.94 -0.02 0.00 -1.74 0.00 0.00 68.15 67.36 1t44 h THR 105 CO -0.08 0.20 0.30 0.58 0.37 0.00 0.00 175.52 176.89 1t44 h VAL 106 N 0.40 1.13 -0.36 3.16 2.07 -0.91 -1.87 116.25 119.86 1t44 h VAL 106 Ca 0.11 -0.25 -0.10 0.00 0.82 0.00 0.00 66.70 67.28 1t44 h VAL 106 Cb 0.19 0.47 -0.02 0.00 -1.52 0.00 0.00 31.29 30.42 1t44 h VAL 106 CO -0.01 0.13 -0.18 1.56 0.02 0.00 0.00 177.57 179.09 1t44 h GLN 107 N 0.62 0.67 -0.22 1.57 4.20 -1.11 -0.23 115.11 120.60 1t44 h GLN 107 Ca 0.17 -0.24 -0.10 0.00 0.06 0.00 0.00 58.65 58.54 1t44 h GLN 107 Cb -0.05 -0.05 -0.00 0.00 0.30 0.00 0.00 27.48 27.68 1t44 h GLN 107 CO -0.03 0.81 -0.27 1.25 -0.67 0.00 0.00 178.83 179.92 1t44 h LEU 108 N 0.60 0.62 -0.14 1.46 5.85 -1.03 -1.17 115.31 121.50 1t44 h LEU 108 Ca 0.09 -0.49 0.00 0.00 0.84 0.00 0.00 57.88 58.32 1t44 h LEU 108 Cb 0.63 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.48 1t44 h LEU 108 CO 0.04 0.99 0.09 -0.78 -0.34 0.00 0.00 178.44 178.45 1t44 h ASP 109 N 0.26 0.16 -0.69 1.25 1.82 -1.10 -0.49 116.42 117.64 1t44 h ASP 109 Ca 0.03 -0.01 0.04 0.00 -0.39 0.00 0.00 57.03 56.70 1t44 h ASP 109 Cb 0.83 -0.04 -0.05 0.00 0.68 0.00 0.00 39.33 40.75 1t44 h ASP 109 CO 0.06 0.12 0.42 0.44 -1.61 0.00 0.00 179.24 178.68 1t44 h ASP 110 N 0.19 0.67 -0.63 2.28 3.32 -0.96 0.09 116.42 121.38 1t44 h ASP 110 Ca 0.05 0.01 0.02 0.00 0.02 0.00 0.00 57.03 57.13 1t44 h ASP 110 Cb -0.02 -0.13 -0.03 0.00 0.22 0.00 0.00 39.33 39.37 1t44 h ASP 110 CO -0.01 0.45 0.42 0.22 -1.72 0.00 0.00 179.24 178.60 1t44 h TYR 111 N 0.80 0.75 -0.32 4.55 3.20 -0.86 -1.32 116.97 123.78 1t44 h TYR 111 Ca 0.29 0.02 -0.17 0.00 3.14 0.00 0.00 58.73 62.01 1t44 h TYR 111 Cb 0.07 -0.25 -0.10 0.00 1.54 0.00 0.00 36.73 37.99 1t44 h TYR 111 CO -0.05 0.46 0.21 1.28 -1.64 0.00 0.00 178.16 178.42 1t44 n LEU 112 N -4.45 4.27 -2.37 2.82 4.77 -0.22 -4.86 117.00 116.96 1t44 n LEU 112 Ca 0.07 -2.21 -0.21 0.00 -0.03 0.00 0.00 56.01 53.63 1t44 n LEU 112 Cb 0.08 -0.63 -0.01 0.00 -2.33 0.00 0.00 43.42 40.54 1t44 n LEU 112 CO 0.35 0.70 -0.27 0.59 -1.33 0.00 0.00 177.39 177.43 1t44 n ASN 113 N 0.01 -5.92 0.00 -1.43 4.13 -0.50 -1.52 115.26 110.03 1t44 n ASN 113 Ca 0.19 -0.01 0.00 0.00 1.68 0.00 0.00 54.58 56.44 1t44 n ASN 113 Cb 0.86 -4.93 0.00 0.00 -1.54 0.00 0.00 39.78 34.17 1t44 n ASN 113 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1t44 n GLY 114 N -1.01 0.59 0.06 7.41 0.00 -0.08 -4.91 105.19 107.25 1t44 n GLY 114 Ca -0.25 0.00 0.13 0.00 0.00 0.00 0.00 46.02 45.90 1t44 n GLY 114 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1t44 n ARG 115 N -2.00 0.15 -2.53 1.61 1.74 -0.58 -4.79 116.66 110.27 1t44 n ARG 115 Ca 0.00 0.15 -0.36 0.00 -0.77 0.00 0.00 57.85 56.87 1t44 n ARG 115 Cb 0.05 -1.69 -0.04 0.00 -1.02 0.00 0.00 32.46 29.77 1t44 n ARG 115 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1t44 s ALA 116 N -3.08 3.06 -0.15 7.54 0.00 -1.26 -4.57 121.76 123.31 1t44 s ALA 116 Ca 0.11 0.70 -0.14 0.00 0.00 0.00 0.00 51.96 52.64 1t44 s ALA 116 Cb 0.14 -3.27 -0.05 0.00 0.00 0.00 0.00 23.12 19.94 1t44 s ALA 116 CO 0.54 -0.24 0.30 0.08 0.00 0.00 0.00 175.76 176.45 1t44 s VAL 117 N -1.68 5.29 -0.08 0.00 1.01 -0.89 -4.95 120.40 119.10 1t44 s VAL 117 Ca 0.59 0.57 -0.10 0.00 0.00 0.00 0.00 61.98 63.04 1t44 s VAL 117 Cb -0.22 -3.63 -0.05 0.00 0.00 0.00 0.00 36.38 32.48 1t44 s VAL 117 CO 0.27 0.41 0.24 -1.10 0.00 0.00 0.00 175.10 174.92 1t44 s GLN 118 N 0.30 3.64 -0.05 2.72 -0.21 -1.26 -0.95 119.66 123.86 1t44 s GLN 118 Ca 0.17 0.07 -0.00 0.00 0.02 0.00 0.00 55.36 55.62 1t44 s GLN 118 Cb -0.13 -3.21 0.03 0.00 1.00 0.00 0.00 33.01 30.69 1t44 s GLN 118 CO 0.05 0.73 0.00 -1.01 -2.12 0.00 0.00 175.29 172.94 1t44 s HIS 119 N -0.99 0.44 -0.20 0.91 3.76 0.01 -4.96 115.29 114.27 1t44 s HIS 119 Ca 0.18 -0.04 -0.23 0.00 -0.15 0.00 0.00 55.06 54.82 1t44 s HIS 119 Cb -0.14 -0.57 -0.02 0.00 1.11 0.00 0.00 32.58 32.96 1t44 s HIS 119 CO 0.07 -0.20 0.72 0.50 -0.85 0.00 0.00 174.74 174.97 1t44 s ARG 120 N 1.43 4.23 -0.28 1.40 3.52 -1.26 -1.51 118.95 126.48 1t44 s ARG 120 Ca -0.04 0.78 -0.01 0.00 -0.13 0.00 0.00 55.73 56.33 1t44 s ARG 120 Cb -0.13 -3.59 0.05 0.00 -1.56 0.00 0.00 34.95 29.72 1t44 s ARG 120 CO -0.03 -0.31 -0.04 -1.21 -0.81 0.00 0.00 175.30 172.91 1t44 s GLU 121 N 2.12 2.50 -0.11 5.12 0.41 0.16 -4.91 118.70 123.98 1t44 s GLU 121 Ca 0.32 -1.20 -0.12 0.00 -0.41 0.00 0.00 54.97 53.56 1t44 s GLU 121 Cb -0.16 -3.07 -0.05 0.00 -1.78 0.00 0.00 34.13 29.07 1t44 s GLU 121 CO 0.11 -0.55 0.27 0.08 -0.49 0.00 0.00 175.26 174.67 1t44 s VAL 122 N 1.24 5.30 -0.08 2.63 1.01 -1.26 -0.95 120.40 128.30 1t44 s VAL 122 Ca -0.05 0.50 -0.40 0.00 0.00 0.00 0.00 61.98 62.03 1t44 s VAL 122 Cb -0.19 -3.57 -0.19 0.00 0.00 0.00 0.00 36.38 32.43 1t44 s VAL 122 CO -0.03 0.50 1.30 1.67 0.00 0.00 0.00 175.10 178.54 1t44 n GLN 123 N 2.72 0.46 -0.10 2.72 7.27 -0.97 -0.97 117.38 128.51 1t44 n GLN 123 Ca -0.15 0.16 0.00 0.00 0.07 0.00 0.00 57.00 57.09 1t44 n GLN 123 Cb 0.53 -1.73 0.00 0.00 2.41 0.00 0.00 30.24 31.45 1t44 n GLN 123 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1t44 n GLY 124 N 2.44 1.32 1.19 1.69 0.00 -1.26 -4.84 105.19 105.73 1t44 n GLY 124 Ca 0.22 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.26 1t44 n GLY 124 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1t44 n PHE 125 N -2.00 0.00 -2.23 1.61 3.01 -0.14 -5.11 117.46 112.59 1t44 n PHE 125 Ca 0.00 -0.36 -0.34 0.00 1.01 0.00 0.00 57.45 57.76 1t44 n PHE 125 Cb 0.00 -0.08 0.00 0.00 -0.01 0.00 0.00 39.48 39.39 1t44 n PHE 125 CO 0.00 0.00 0.00 -1.21 1.01 0.00 0.00 176.76 176.56 1t44 s GLU 126 N 0.00 3.38 0.56 -1.08 8.01 -1.18 -4.58 118.70 123.82 1t44 s GLU 126 Ca 0.22 1.48 -0.19 0.00 0.01 0.00 0.00 54.97 56.49 1t44 s GLU 126 Cb 0.26 -2.02 -0.05 0.00 -4.31 0.00 0.00 34.13 28.01 1t44 s GLU 126 CO -0.11 -0.80 1.17 -1.54 0.01 0.00 0.00 175.26 173.99 1t44 s SER 127 N -2.04 5.47 0.31 -0.19 1.04 -1.26 -4.87 113.70 112.16 1t44 s SER 127 Ca 0.70 2.29 0.04 0.00 0.48 0.00 0.00 55.95 59.46 1t44 s SER 127 Cb -0.21 -2.59 0.66 0.00 0.10 0.00 0.00 66.02 63.98 1t44 s SER 127 CO 0.28 -1.39 1.85 0.00 0.98 0.00 0.00 173.24 174.96 1t44 h ALA 128 N 1.08 1.64 -0.30 5.32 0.00 -1.99 -1.15 119.26 123.87 1t44 h ALA 128 Ca -0.50 0.02 -0.16 0.00 0.00 0.00 0.00 54.91 54.27 1t44 h ALA 128 Cb 1.28 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 1t44 h ALA 128 CO 0.56 0.12 -0.44 1.79 0.00 0.00 0.00 179.25 181.28 1t44 h THR 129 N 0.88 1.29 -0.07 0.00 1.35 -1.98 -1.12 112.91 113.24 1t44 h THR 129 Ca 0.47 -1.63 0.01 0.00 -0.55 0.00 0.00 66.41 64.72 1t44 h THR 129 Cb 0.56 1.52 -0.01 0.00 -1.73 0.00 0.00 68.15 68.49 1t44 h THR 129 CO -0.24 0.53 0.00 0.15 -0.25 0.00 0.00 175.52 175.71 1t44 h PHE 130 N 0.62 0.00 -0.35 4.73 3.57 -1.86 -2.73 116.94 120.93 1t44 h PHE 130 Ca 0.04 0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.56 1t44 h PHE 130 Cb 1.01 0.01 -0.02 0.00 2.79 0.00 0.00 35.95 39.74 1t44 h PHE 130 CO 0.05 -0.00 0.23 -0.07 -2.23 0.00 0.00 178.31 176.30 1t44 h LEU 131 N 0.03 0.36 -0.23 0.59 3.38 -1.03 -2.00 115.31 116.40 1t44 h LEU 131 Ca 0.03 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1t44 h LEU 131 Cb 0.03 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.70 1t44 h LEU 131 CO -0.05 0.25 0.00 0.61 0.09 0.00 0.00 178.44 179.34 1t44 n GLY 132 N -1.50 -1.13 0.22 0.83 0.00 -0.44 -2.51 105.19 100.67 1t44 n GLY 132 Ca 0.03 -0.01 0.15 0.00 0.00 0.00 0.00 46.02 46.19 1t44 n GLY 132 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1t44 h TYR 133 N 0.00 0.00 -3.53 1.61 0.05 -1.29 -3.41 116.97 110.41 1t44 h TYR 133 Ca 0.00 0.00 -0.68 0.00 0.05 0.00 0.00 58.73 58.10 1t44 h TYR 133 Cb 0.31 0.00 -0.36 0.00 1.01 0.00 0.00 36.73 37.69 1t44 h TYR 133 CO 0.00 0.00 -0.56 -0.06 -1.05 0.00 0.00 178.16 176.49 1t44 s PHE 134 N -3.52 3.56 0.39 4.88 0.40 -1.04 -4.98 117.98 117.66 1t44 s PHE 134 Ca 0.03 -2.66 0.06 0.00 -0.60 0.00 0.00 56.93 53.75 1t44 s PHE 134 Cb 0.09 -3.13 0.77 0.00 0.51 0.00 0.00 43.02 41.27 1t44 s PHE 134 CO 0.49 -0.93 2.02 0.87 0.70 0.00 0.00 175.22 178.38 1t44 h LYS 135 N 7.64 0.59 -0.61 0.44 1.79 -1.85 -0.73 116.57 123.84 1t44 h LYS 135 Ca -0.09 -0.05 0.00 0.00 -2.18 0.00 0.00 60.65 58.33 1t44 h LYS 135 Cb 1.01 -0.13 0.00 0.00 -1.58 0.00 0.00 32.23 31.54 1t44 h LYS 135 CO 0.66 0.43 0.00 -1.13 -1.08 0.00 0.00 179.45 178.33 1t44 n SER 136 N -4.43 4.43 0.00 0.86 3.41 -1.26 -5.04 113.62 111.59 1t44 n SER 136 Ca 0.03 -2.38 0.00 0.00 -0.26 0.00 0.00 58.87 56.26 1t44 n SER 136 Cb 0.09 -0.53 0.00 0.00 -0.26 0.00 0.00 64.21 63.51 1t44 n SER 136 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1t44 n GLY 137 N 1.03 -0.32 3.79 5.00 0.00 -0.28 -5.01 105.19 109.40 1t44 n GLY 137 Ca 0.24 -1.23 -0.33 0.00 0.00 0.00 0.00 46.02 44.70 1t44 n GLY 137 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1t44 s LEU 138 N -0.44 3.55 0.06 0.99 0.05 -1.26 -4.98 118.68 116.65 1t44 s LEU 138 Ca 0.00 1.94 0.03 0.00 0.05 0.00 0.00 54.13 56.15 1t44 s LEU 138 Cb 0.00 -4.55 -0.03 0.00 -2.05 0.00 0.00 46.19 39.56 1t44 s LEU 138 CO 0.00 -1.27 -0.09 -1.59 -0.55 0.00 0.00 176.35 172.85 1t44 s LYS 139 N -3.85 0.65 -0.04 1.48 0.00 0.23 -5.04 119.74 113.17 1t44 s LYS 139 Ca 0.67 -0.90 -0.01 0.00 0.00 0.00 0.00 55.97 55.72 1t44 s LYS 139 Cb -0.19 -0.42 -0.04 0.00 0.00 0.00 0.00 37.83 37.18 1t44 s LYS 139 CO 0.35 0.08 0.05 0.71 0.00 0.00 0.00 175.35 176.53 1t44 s TYR 140 N -1.69 3.25 0.03 1.78 4.12 -1.26 -1.05 117.35 122.52 1t44 s TYR 140 Ca -0.05 0.22 0.02 0.00 0.02 0.00 0.00 57.07 57.29 1t44 s TYR 140 Cb -0.08 -1.76 -0.02 0.00 -1.52 0.00 0.00 41.96 38.58 1t44 s TYR 140 CO 0.00 0.53 -0.08 -1.59 0.02 0.00 0.00 175.55 174.44 1t44 s LYS 141 N -1.37 0.56 0.50 -0.62 -2.85 -0.45 -4.90 119.74 110.62 1t44 s LYS 141 Ca 0.19 -0.56 -0.20 0.00 -1.00 0.00 0.00 55.97 54.40 1t44 s LYS 141 Cb -0.12 -0.45 -0.08 0.00 -2.06 0.00 0.00 37.83 35.13 1t44 s LYS 141 CO 0.09 0.10 1.07 0.15 0.10 0.00 0.00 175.35 176.86 1t44 s LYS 142 N -0.99 3.66 0.00 1.78 -0.14 -1.26 -0.83 119.74 121.95 1t44 s LYS 142 Ca -0.04 1.46 0.00 0.00 -1.36 0.00 0.00 55.97 56.03 1t44 s LYS 142 Cb -0.07 -2.09 0.00 0.00 -1.68 0.00 0.00 37.83 34.00 1t44 s LYS 142 CO 0.00 -0.57 0.00 0.41 -0.76 0.00 0.00 175.35 174.44 1t44 n GLY 143 N -0.07 -0.37 0.00 -3.33 0.00 -1.26 -4.79 105.19 95.37 1t44 n GLY 143 Ca 0.10 -2.21 0.00 0.00 0.00 0.00 0.00 46.02 43.91 1t44 n GLY 143 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1t44 n GLY 144 N 0.00 -0.28 3.81 -0.02 0.00 -1.26 -1.09 105.19 106.35 1t44 n GLY 144 Ca 0.00 -1.57 -0.34 0.00 0.00 0.00 0.00 46.02 44.11 1t44 n GLY 144 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1t44 s VAL 145 N -2.41 4.38 0.59 1.61 0.11 -1.26 -5.04 120.40 118.37 1t44 s VAL 145 Ca 0.00 1.52 -0.17 0.00 -2.93 0.00 0.00 61.98 60.40 1t44 s VAL 145 Cb 0.00 -3.71 -0.04 0.00 -1.53 0.00 0.00 36.38 31.10 1t44 s VAL 145 CO 0.00 -0.18 1.10 0.00 -3.33 0.00 0.00 175.10 172.70 1t44 s ALA 146 N -2.00 2.64 0.45 1.54 0.00 -1.26 -4.90 121.76 118.22 1t44 s ALA 146 Ca 0.58 0.64 -0.24 0.00 0.00 0.00 0.00 51.96 52.94 1t44 s ALA 146 Cb -0.12 -3.32 -0.09 0.00 0.00 0.00 0.00 23.12 19.59 1t44 s ALA 146 CO 0.16 -0.91 1.10 0.45 0.00 0.00 0.00 175.76 176.56 1t44 n SER 147 N -1.77 1.66 0.07 0.00 2.88 -1.26 -4.56 113.62 110.64 1t44 n SER 147 Ca 0.11 1.03 0.13 0.00 -1.33 0.00 0.00 58.87 58.81 1t44 n SER 147 Cb 0.52 -1.41 0.45 0.00 -0.75 0.00 0.00 64.21 63.01 1t44 n SER 147 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1t44 n GLY 148 N 1.06 -1.62 3.77 0.46 0.00 -1.26 -4.92 105.19 102.68 1t44 n GLY 148 Ca 0.09 -0.07 -0.40 0.00 0.00 0.00 0.00 46.02 45.65 1t44 n GLY 148 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1t44 s PHE 149 N -3.07 2.94 -0.02 1.61 2.99 -1.26 -4.99 117.98 116.17 1t44 s PHE 149 Ca 0.11 1.44 -0.19 0.00 0.00 0.00 0.00 56.93 58.29 1t44 s PHE 149 Cb 0.14 -3.63 -0.05 0.00 0.00 0.00 0.00 43.02 39.48 1t44 s PHE 149 CO 0.59 -1.88 0.54 0.21 -0.00 0.00 0.00 175.22 174.68 1t44 s LYS 150 N -2.08 4.25 -0.06 0.44 2.20 -1.26 -5.07 119.74 118.16 1t44 s LYS 150 Ca 0.54 0.62 -0.25 0.00 -0.36 0.00 0.00 55.97 56.52 1t44 s LYS 150 Cb -0.38 -3.34 -0.03 0.00 -1.51 0.00 0.00 37.83 32.57 1t44 s LYS 150 CO 0.49 0.39 0.77 -1.58 -0.36 0.00 0.00 175.35 175.06 1t44 s HIS 151 N -0.21 3.58 0.11 4.03 5.65 -1.26 -5.05 115.29 122.14 1t44 s HIS 151 Ca 0.29 1.35 0.05 0.00 0.25 0.00 0.00 55.06 57.00 1t44 s HIS 151 Cb -0.17 -2.89 -0.04 0.00 -1.18 0.00 0.00 32.58 28.30 1t44 s HIS 151 CO 0.15 0.03 -0.14 0.14 -0.65 0.00 0.00 174.74 174.28 1t44 s VAL 152 N 0.98 1.24 -0.44 0.89 -7.23 -1.26 -5.11 120.40 109.47 1t44 s VAL 152 Ca 0.41 -1.64 -0.08 0.00 -1.81 0.00 0.00 61.98 58.86 1t44 s VAL 152 Cb -0.18 -1.43 0.10 0.00 0.56 0.00 0.00 36.38 35.42 1t44 s VAL 152 CO 0.20 -0.40 0.29 -1.61 -0.31 0.00 0.00 175.10 173.26 1t44 s GLU 153 N -2.53 2.47 0.24 4.82 2.02 -1.26 -5.06 118.70 119.39 1t44 s GLU 153 Ca 0.07 -1.64 -0.31 0.00 0.02 0.00 0.00 54.97 53.11 1t44 s GLU 153 Cb -0.05 -3.81 -0.11 0.00 0.10 0.00 0.00 34.13 30.25 1t44 s GLU 153 CO 0.02 -1.07 1.64 0.99 0.02 0.00 0.00 175.26 176.86 1t44 s THR 154 N 1.36 2.14 -0.40 3.63 2.01 -1.26 -4.98 115.64 118.13 1t44 s THR 154 Ca 0.05 0.11 -0.17 0.00 0.31 0.00 0.00 61.69 61.99 1t44 s THR 154 Cb -0.24 -3.07 0.01 0.00 0.01 0.00 0.00 72.50 69.21 1t44 s THR 154 CO -0.00 0.01 0.41 -1.10 -0.69 0.00 0.00 174.62 173.25 1t44 s GLN 155 N 0.43 3.18 -0.52 4.92 -0.21 -1.26 -5.04 119.66 121.16 1t44 s GLN 155 Ca 0.69 -0.71 -0.23 0.00 0.02 0.00 0.00 55.36 55.13 1t44 s GLN 155 Cb -0.48 -3.94 0.04 0.00 1.00 0.00 0.00 33.01 29.64 1t44 s GLN 155 CO 0.39 -0.78 0.85 -2.00 -2.12 0.00 0.00 175.29 171.63 1t44 s GLU 156 N 2.07 3.32 -1.07 2.91 2.12 -1.26 -4.98 118.70 121.81 1t44 s GLU 156 Ca 0.11 -0.33 -0.07 0.00 0.36 0.00 0.00 54.97 55.05 1t44 s GLU 156 Cb -0.17 -4.03 0.28 0.00 0.26 0.00 0.00 34.13 30.46 1t44 s GLU 156 CO 0.13 -1.36 1.15 1.63 -0.54 0.00 0.00 175.26 176.28 1t44 n LYS 157 N 7.08 3.63 -3.30 4.30 5.02 -1.26 -4.86 118.16 128.76 1t44 n LYS 157 Ca 0.01 -4.49 -0.25 0.00 -2.02 0.00 0.00 58.31 51.56 1t44 n LYS 157 Cb 0.47 -2.52 -0.08 0.00 -0.02 0.00 0.00 35.03 32.88 1t44 n LYS 157 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1t44 n ASN 158 N 2.26 -0.47 -4.77 4.39 5.15 -1.26 -5.14 115.26 115.42 1t44 n ASN 158 Ca 0.24 -2.50 -0.38 0.00 -0.60 0.00 0.00 54.58 51.35 1t44 n ASN 158 Cb 0.37 -0.44 -0.03 0.00 -0.53 0.00 0.00 39.78 39.15 1t44 n ASN 158 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 1t44 s PRO 159 N -0.25 4.20 0.38 1.20 0.04 -1.26 -5.03 135.00 134.28 1t44 s PRO 159 Ca 0.33 1.69 -0.21 0.00 0.04 0.00 0.00 61.00 62.85 1t44 s PRO 159 Cb 0.08 -2.71 -0.10 0.00 0.04 0.00 0.00 34.50 31.81 1t44 s PRO 159 CO -0.17 -0.15 0.91 -0.51 0.04 0.00 0.00 177.00 177.12 1t44 s LEU 160 N -2.38 4.07 0.39 -3.56 1.43 -1.26 -5.03 118.68 112.34 1t44 s LEU 160 Ca 0.55 1.66 -0.26 0.00 -1.03 0.00 0.00 54.13 55.06 1t44 s LEU 160 Cb -0.27 -4.31 -0.09 0.00 0.03 0.00 0.00 46.19 41.55 1t44 s LEU 160 CO 0.34 -0.25 1.20 -2.16 0.23 0.00 0.00 176.35 175.71 1t44 s PRO 161 N -2.83 4.08 0.72 1.29 0.04 -1.26 -5.04 135.00 131.99 1t44 s PRO 161 Ca 0.57 1.92 -0.10 0.00 0.04 0.00 0.00 61.00 63.43 1t44 s PRO 161 Cb -0.12 -2.74 0.03 0.00 0.04 0.00 0.00 34.50 31.72 1t44 s PRO 161 CO 0.16 -0.33 1.09 -1.54 0.04 0.00 0.00 177.00 176.42 1t44 s SER 162 N -1.00 5.17 0.26 6.66 1.04 -1.26 -4.91 113.70 119.66 1t44 s SER 162 Ca 0.56 0.93 -0.06 0.00 0.48 0.00 0.00 55.95 57.86 1t44 s SER 162 Cb -0.33 -1.66 0.49 0.00 0.10 0.00 0.00 66.02 64.62 1t44 s SER 162 CO 0.42 -1.47 1.61 0.11 0.98 0.00 0.00 173.24 174.88 1t44 h LYS 163 N -0.69 0.05 -0.30 4.02 1.57 -2.00 -2.04 116.57 117.19 1t44 h LYS 163 Ca -0.45 -0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 58.18 1t44 h LYS 163 Cb 1.28 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.57 1t44 h LYS 163 CO 0.64 0.03 -0.40 0.93 -0.57 0.00 0.00 179.45 180.08 1t44 h GLU 164 N 0.05 0.73 -0.51 3.15 3.07 -1.99 -1.25 114.58 117.83 1t44 h GLU 164 Ca 0.45 -0.38 -0.11 0.00 -0.50 0.00 0.00 59.36 58.82 1t44 h GLU 164 Cb 0.81 0.01 -0.02 0.00 -0.84 0.00 0.00 28.75 28.71 1t44 h GLU 164 CO -0.79 1.00 -0.13 1.15 -1.40 0.00 0.00 179.01 178.84 1t44 h THR 165 N 0.60 1.27 -0.40 1.13 2.02 -1.81 -1.40 112.91 114.32 1t44 h THR 165 Ca 0.05 -1.27 -0.07 0.00 0.77 0.00 0.00 66.41 65.88 1t44 h THR 165 Cb 0.94 1.01 -0.01 0.00 -1.74 0.00 0.00 68.15 68.34 1t44 h THR 165 CO 0.09 0.45 -0.02 0.40 0.37 0.00 0.00 175.52 176.80 1t44 h ILE 166 N 0.87 1.26 -0.74 3.11 2.04 -1.07 -2.43 117.51 120.55 1t44 h ILE 166 Ca 0.13 -1.06 0.00 0.00 1.00 0.00 0.00 64.86 64.94 1t44 h ILE 166 Cb 0.68 1.15 -0.04 0.00 -0.74 0.00 0.00 36.82 37.88 1t44 h ILE 166 CO 0.05 0.36 0.47 -0.33 0.00 0.00 0.00 178.15 178.69 1t44 h GLU 167 N 0.55 0.99 -0.47 2.37 5.08 -1.13 -2.43 114.58 119.54 1t44 h GLU 167 Ca 0.11 -0.07 -0.02 0.00 -1.00 0.00 0.00 59.36 58.38 1t44 h GLU 167 Cb 0.51 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 29.53 1t44 h GLU 167 CO 0.03 0.68 0.23 1.96 -1.00 0.00 0.00 179.01 180.90 1t44 h GLN 168 N 1.01 0.68 -0.15 2.33 4.20 -0.92 -2.99 115.11 119.27 1t44 h GLN 168 Ca 0.27 -0.10 -0.11 0.00 0.06 0.00 0.00 58.65 58.77 1t44 h GLN 168 Cb -0.08 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 27.57 1t44 h GLN 168 CO -0.05 0.57 -0.39 0.93 -0.67 0.00 0.00 178.83 179.21 1t44 h GLU 169 N 0.62 0.33 -0.75 1.46 5.08 -1.13 -3.04 114.58 117.15 1t44 h GLU 169 Ca 0.16 -0.16 0.06 0.00 -1.00 0.00 0.00 59.36 58.43 1t44 h GLU 169 Cb 0.11 -0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.30 1t44 h GLU 169 CO -0.02 0.68 0.44 0.87 -1.00 0.00 0.00 179.01 179.98 1t44 h LYS 170 N 0.28 0.78 0.00 2.33 1.57 -1.30 -3.52 116.57 116.72 1t44 h LYS 170 Ca 0.03 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 1t44 h LYS 170 Cb 0.82 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.95 1t44 h LYS 170 CO 0.07 0.52 0.00 1.04 -0.57 0.00 0.00 179.45 180.50