#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qt1 s VAL -3 N 0.00 4.11 0.29 4.08 1.01 -1.26 -4.98 120.40 123.65 2qt1 s VAL -3 Ca 0.00 1.32 -0.29 0.00 0.00 0.00 0.00 61.98 63.01 2qt1 s VAL -3 Cb 0.00 -3.91 -0.13 0.00 0.00 0.00 0.00 36.38 32.34 2qt1 s VAL -3 CO 0.00 -0.18 1.29 -2.65 0.00 0.00 0.00 175.10 173.57 2qt1 n PRO -2 N 6.86 1.96 -2.66 2.72 -0.02 -1.26 -5.00 135.00 137.59 2qt1 n PRO -2 Ca 0.15 0.69 -0.21 0.00 -2.02 0.00 0.00 63.50 62.11 2qt1 n PRO -2 Cb 0.45 -2.27 0.04 0.00 -0.02 0.00 0.00 33.50 31.69 2qt1 n PRO -2 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 2qt1 s ARG -1 N -1.21 2.57 0.00 -0.52 0.52 -1.26 -4.69 118.95 114.36 2qt1 s ARG -1 Ca 0.61 -0.77 0.00 0.00 -0.52 0.00 0.00 55.73 55.06 2qt1 s ARG -1 Cb -0.63 -2.49 0.00 0.00 0.52 0.00 0.00 34.95 32.35 2qt1 s ARG -1 CO 0.57 -0.69 0.00 0.41 0.02 0.00 0.00 175.30 175.61 2qt1 n GLY 0 N -2.33 2.14 0.01 -3.53 0.00 -1.26 -4.96 105.19 95.27 2qt1 n GLY 0 Ca 0.08 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.20 2qt1 n GLY 0 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2qt1 n SER 1 N 0.00 0.31 -4.76 1.61 3.41 -1.26 -4.21 113.62 108.71 2qt1 n SER 1 Ca 0.00 -0.23 -0.40 0.00 -0.26 0.00 0.00 58.87 57.98 2qt1 n SER 1 Cb 0.00 1.62 -0.04 0.00 -0.26 0.00 0.00 64.21 65.53 2qt1 n SER 1 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 2qt1 s LYS 2 N -3.37 4.48 0.12 4.33 1.02 -1.26 -5.03 119.74 120.03 2qt1 s LYS 2 Ca -0.03 1.88 0.02 0.00 0.02 0.00 0.00 55.97 57.86 2qt1 s LYS 2 Cb 0.14 -3.07 -0.04 0.00 -0.52 0.00 0.00 37.83 34.34 2qt1 s LYS 2 CO 0.89 0.04 -0.07 0.95 -0.92 0.00 0.00 175.35 176.24 2qt1 s THR 3 N -1.22 0.81 -0.15 2.17 -4.23 -1.26 -4.15 115.64 107.61 2qt1 s THR 3 Ca 0.48 -1.97 0.00 0.00 -1.18 0.00 0.00 61.69 59.02 2qt1 s THR 3 Cb -0.33 -1.77 0.03 0.00 1.34 0.00 0.00 72.50 71.78 2qt1 s THR 3 CO 0.43 -0.81 -0.11 0.12 -0.54 0.00 0.00 174.62 173.71 2qt1 s PHE 4 N -3.55 2.02 -0.14 3.99 5.36 -0.15 -4.96 117.98 120.54 2qt1 s PHE 4 Ca 0.14 -1.18 0.01 0.00 -0.96 0.00 0.00 56.93 54.94 2qt1 s PHE 4 Cb 0.05 -1.49 -0.00 0.00 -0.34 0.00 0.00 43.02 41.23 2qt1 s PHE 4 CO -0.03 -0.65 -0.17 0.42 -1.46 0.00 0.00 175.22 173.34 2qt1 s ILE 5 N 1.53 2.55 -0.14 3.12 1.01 -1.26 -1.33 121.20 126.69 2qt1 s ILE 5 Ca 0.03 -0.82 -0.01 0.00 0.00 0.00 0.00 60.65 59.85 2qt1 s ILE 5 Cb -0.14 -2.06 -0.02 0.00 0.01 0.00 0.00 42.46 40.25 2qt1 s ILE 5 CO -0.09 0.53 -0.10 -0.63 0.00 0.00 0.00 174.94 174.65 2qt1 s ILE 6 N 0.71 3.34 -0.20 2.92 -1.09 0.45 -0.36 121.20 126.98 2qt1 s ILE 6 Ca -0.08 -0.56 -0.08 0.00 -2.23 0.00 0.00 60.65 57.71 2qt1 s ILE 6 Cb -0.16 -2.43 -0.04 0.00 -1.58 0.00 0.00 42.46 38.25 2qt1 s ILE 6 CO 0.01 0.51 0.09 -0.83 -1.23 0.00 0.00 174.94 173.49 2qt1 s GLY 7 N 0.38 1.92 -0.26 6.18 0.00 -0.07 -0.28 107.32 115.18 2qt1 s GLY 7 Ca -0.08 -0.81 0.02 0.00 0.00 0.00 0.00 44.72 43.86 2qt1 s GLY 7 CO 0.05 0.17 -0.08 -0.42 0.00 0.00 0.00 173.10 172.82 2qt1 s ILE 8 N 0.62 2.01 0.08 0.90 1.01 -0.26 -0.81 121.20 124.76 2qt1 s ILE 8 Ca 0.04 -1.60 0.00 0.00 0.00 0.00 0.00 60.65 59.09 2qt1 s ILE 8 Cb -0.13 -2.19 -0.00 0.00 0.01 0.00 0.00 42.46 40.15 2qt1 s ILE 8 CO 0.01 -0.11 0.00 -0.24 0.00 0.00 0.00 174.94 174.60 2qt1 n SER 9 N 4.48 2.23 0.00 3.58 2.88 -0.20 -1.32 113.62 125.27 2qt1 n SER 9 Ca -0.12 -1.36 0.00 0.00 -1.33 0.00 0.00 58.87 56.06 2qt1 n SER 9 Cb 0.42 0.06 0.00 0.00 -0.75 0.00 0.00 64.21 63.94 2qt1 n SER 9 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2qt1 n GLY 10 N 4.01 3.10 3.65 0.46 0.00 -1.26 -1.15 105.19 114.00 2qt1 n GLY 10 Ca -0.03 -1.47 -0.31 0.00 0.00 0.00 0.00 46.02 44.20 2qt1 n GLY 10 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 2qt1 n VAL 11 N -1.67 0.05 -1.61 1.61 3.14 -0.92 -4.38 118.33 114.55 2qt1 n VAL 11 Ca 0.00 -0.02 -0.44 0.00 -2.96 0.00 0.00 64.34 60.93 2qt1 n VAL 11 Cb 0.00 -0.98 -0.01 0.00 -1.06 0.00 0.00 33.84 31.80 2qt1 n VAL 11 CO 0.00 0.00 0.00 1.07 -6.46 0.00 0.00 176.83 171.44 2qt1 n THR 12 N -4.19 2.06 -3.24 1.55 5.66 -1.26 -3.06 114.28 111.79 2qt1 n THR 12 Ca 0.12 -0.50 -0.23 0.00 -3.05 0.00 0.00 64.05 60.38 2qt1 n THR 12 Cb 0.52 -1.14 0.05 0.00 -1.55 0.00 0.00 70.33 68.21 2qt1 n THR 12 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 175.07 172.61 2qt1 n ASN 13 N 1.01 -6.21 -0.72 1.09 4.13 -1.26 -4.90 115.26 108.39 2qt1 n ASN 13 Ca 0.08 -0.39 0.07 0.00 1.68 0.00 0.00 54.58 56.03 2qt1 n ASN 13 Cb 0.34 -4.97 0.14 0.00 -1.54 0.00 0.00 39.78 33.75 2qt1 n ASN 13 CO 0.00 0.00 0.00 -1.54 0.28 0.00 0.00 177.26 176.00 2qt1 n SER 14 N -2.71 2.76 0.00 6.41 3.41 -1.17 -4.95 113.62 117.37 2qt1 n SER 14 Ca -0.07 -1.82 0.00 0.00 -0.26 0.00 0.00 58.87 56.72 2qt1 n SER 14 Cb 0.60 -0.17 0.00 0.00 -0.26 0.00 0.00 64.21 64.38 2qt1 n SER 14 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2qt1 n GLY 15 N 0.82 1.00 0.15 5.00 0.00 -1.26 -4.73 105.19 106.16 2qt1 n GLY 15 Ca 0.12 -0.25 -0.13 0.00 0.00 0.00 0.00 46.02 45.76 2qt1 n GLY 15 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2qt1 h LYS 16 N 0.00 0.42 -0.45 1.61 1.57 -1.93 -0.80 116.57 116.99 2qt1 h LYS 16 Ca 0.00 -0.21 -0.09 0.00 -1.87 0.00 0.00 60.65 58.48 2qt1 h LYS 16 Cb 0.05 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.35 2qt1 h LYS 16 CO 0.00 0.77 -0.09 1.15 -0.57 0.00 0.00 179.45 180.71 2qt1 h THR 17 N 0.08 1.27 -0.60 -0.16 2.02 -1.95 -1.09 112.91 112.48 2qt1 h THR 17 Ca 0.03 -1.19 -0.04 0.00 0.77 0.00 0.00 66.41 65.99 2qt1 h THR 17 Cb 0.68 1.12 -0.03 0.00 -1.74 0.00 0.00 68.15 68.19 2qt1 h THR 17 CO 0.04 0.41 0.23 0.74 0.37 0.00 0.00 175.52 177.31 2qt1 h THR 18 N 0.68 1.23 -0.09 3.16 2.02 -1.98 -0.89 112.91 117.04 2qt1 h THR 18 Ca 0.12 -0.73 0.00 0.00 0.77 0.00 0.00 66.41 66.57 2qt1 h THR 18 Cb 0.62 0.59 -0.01 0.00 -1.74 0.00 0.00 68.15 67.61 2qt1 h THR 18 CO 0.04 0.28 0.05 0.25 0.37 0.00 0.00 175.52 176.51 2qt1 h LEU 19 N 0.83 0.08 -0.63 2.58 5.85 -0.93 0.04 115.31 123.14 2qt1 h LEU 19 Ca 0.20 0.00 0.09 0.00 0.84 0.00 0.00 57.88 59.01 2qt1 h LEU 19 Cb 0.21 -0.02 -0.07 0.00 0.37 0.00 0.00 40.66 41.15 2qt1 h LEU 19 CO -0.02 0.06 0.27 0.00 -0.34 0.00 0.00 178.44 178.42 2qt1 h ALA 20 N 1.04 0.84 -0.20 1.25 0.00 -0.94 -0.49 119.26 120.76 2qt1 h ALA 20 Ca 0.03 0.07 -0.12 0.00 0.00 0.00 0.00 54.91 54.89 2qt1 h ALA 20 Cb -0.00 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 2qt1 h ALA 20 CO -0.02 -0.14 -0.39 0.87 0.00 0.00 0.00 179.25 179.58 2qt1 h LYS 21 N 0.48 0.45 -0.32 0.00 1.57 -0.91 -0.79 116.57 117.05 2qt1 h LYS 21 Ca 0.31 -0.22 -0.17 0.00 -1.87 0.00 0.00 60.65 58.70 2qt1 h LYS 21 Cb 0.35 -0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.66 2qt1 h LYS 21 CO -0.28 0.77 -0.49 -0.91 -0.57 0.00 0.00 179.45 177.97 2qt1 h ASN 22 N 0.37 0.96 -0.23 0.86 2.35 -0.53 -1.74 115.58 117.63 2qt1 h ASN 22 Ca 0.04 -0.49 -0.01 0.00 -0.55 0.00 0.00 56.30 55.29 2qt1 h ASN 22 Cb 0.85 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 38.94 2qt1 h ASN 22 CO 0.07 1.28 0.11 -0.07 -1.65 0.00 0.00 177.43 177.17 2qt1 h LEU 23 N 0.69 0.30 -1.17 1.61 3.38 -0.93 -3.05 115.31 116.13 2qt1 h LEU 23 Ca 0.03 -0.12 0.08 0.00 0.09 0.00 0.00 57.88 57.96 2qt1 h LEU 23 Cb 1.09 -0.08 -0.06 0.00 0.09 0.00 0.00 40.66 41.70 2qt1 h LEU 23 CO 0.11 0.34 0.58 -0.61 0.09 0.00 0.00 178.44 178.95 2qt1 h GLN 24 N 0.24 0.92 0.00 1.13 4.15 -1.01 0.18 115.11 120.72 2qt1 h GLN 24 Ca 0.08 -0.06 0.00 0.00 0.77 0.00 0.00 58.65 59.44 2qt1 h GLN 24 Cb 0.12 -0.21 0.00 0.00 0.21 0.00 0.00 27.48 27.60 2qt1 h GLN 24 CO -0.01 0.61 0.00 0.87 -1.93 0.00 0.00 178.83 178.37 2qt1 h LYS 25 N 0.95 0.00 -0.07 1.69 1.57 -1.20 -2.95 116.57 116.56 2qt1 h LYS 25 Ca 0.41 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.19 2qt1 h LYS 25 Cb 0.32 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.63 2qt1 h LYS 25 CO -0.17 0.00 0.00 0.72 -0.57 0.00 0.00 179.45 179.43 2qt1 n HIS 26 N -2.63 0.11 -4.79 -1.35 8.25 -0.01 -5.00 115.22 109.79 2qt1 n HIS 26 Ca -0.01 -0.56 -0.24 0.00 -0.26 0.00 0.00 57.72 56.65 2qt1 n HIS 26 Cb 0.13 -0.06 -0.15 0.00 1.12 0.00 0.00 29.99 31.02 2qt1 n HIS 26 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2qt1 s LEU 27 N -1.22 2.02 0.42 2.41 1.43 -0.81 -5.08 118.68 117.86 2qt1 s LEU 27 Ca 0.08 -0.30 -0.14 0.00 -1.03 0.00 0.00 54.13 52.74 2qt1 s LEU 27 Cb 0.06 -0.86 -0.08 0.00 0.03 0.00 0.00 46.19 45.34 2qt1 s LEU 27 CO 0.03 0.20 0.83 -2.16 0.23 0.00 0.00 176.35 175.48 2qt1 s PRO 28 N -0.34 3.89 -1.45 1.29 0.04 -1.26 -3.99 135.00 133.18 2qt1 s PRO 28 Ca 0.05 0.67 -0.03 0.00 0.04 0.00 0.00 61.00 61.74 2qt1 s PRO 28 Cb -0.07 -2.32 0.00 0.00 0.04 0.00 0.00 34.50 32.16 2qt1 s PRO 28 CO -0.00 -0.06 0.25 -1.71 0.04 0.00 0.00 177.00 175.51 2qt1 n ASN 29 N -1.17 -0.11 -4.41 6.66 5.15 -1.26 -4.52 115.26 115.61 2qt1 n ASN 29 Ca 0.04 -1.15 -0.33 0.00 -0.60 0.00 0.00 54.58 52.54 2qt1 n ASN 29 Cb 0.54 -2.31 -0.14 0.00 -0.53 0.00 0.00 39.78 37.34 2qt1 n ASN 29 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2qt1 s SER 31 N 0.31 4.08 -0.08 0.00 0.01 -0.25 -4.99 113.70 112.78 2qt1 s SER 31 Ca -0.09 -0.84 0.02 0.00 1.31 0.00 0.00 55.95 56.36 2qt1 s SER 31 Cb -0.15 -0.58 0.01 0.00 0.21 0.00 0.00 66.02 65.51 2qt1 s SER 31 CO 0.05 0.01 -0.14 -0.69 0.41 0.00 0.00 173.24 172.88 2qt1 s VAL 32 N -2.42 1.32 -0.12 3.43 1.01 -1.26 -0.91 120.40 121.45 2qt1 s VAL 32 Ca 0.31 -0.58 -0.01 0.00 0.00 0.00 0.00 61.98 61.70 2qt1 s VAL 32 Cb -0.05 -1.19 -0.02 0.00 0.00 0.00 0.00 36.38 35.11 2qt1 s VAL 32 CO 0.18 0.40 -0.09 -0.63 0.00 0.00 0.00 175.10 174.95 2qt1 s ILE 33 N 0.69 3.41 -0.20 2.22 1.01 0.05 -4.97 121.20 123.40 2qt1 s ILE 33 Ca -0.14 -0.55 -0.05 0.00 0.00 0.00 0.00 60.65 59.92 2qt1 s ILE 33 Cb -0.16 -2.44 -0.02 0.00 0.01 0.00 0.00 42.46 39.85 2qt1 s ILE 33 CO 0.04 0.53 -0.00 -0.55 0.00 0.00 0.00 174.94 174.95 2qt1 s SER 34 N 0.10 4.77 0.38 3.58 0.15 -1.26 -1.42 113.70 120.00 2qt1 s SER 34 Ca -0.04 -0.22 0.10 0.00 0.70 0.00 0.00 55.95 56.50 2qt1 s SER 34 Cb -0.14 -1.82 0.87 0.00 -1.71 0.00 0.00 66.02 63.23 2qt1 s SER 34 CO 0.04 0.05 1.89 -0.61 1.20 0.00 0.00 173.24 175.81 2qt1 h GLN 35 N 7.56 0.60 0.00 5.44 4.15 -1.33 -1.64 115.11 129.89 2qt1 h GLN 35 Ca -0.36 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.02 2qt1 h GLN 35 Cb 1.18 -0.14 0.00 0.00 0.21 0.00 0.00 27.48 28.73 2qt1 h GLN 35 CO 0.61 0.40 0.00 -0.25 -1.93 0.00 0.00 178.83 177.66 2qt1 n ASP 36 N -4.53 0.55 0.00 -0.69 9.92 -1.26 -1.12 116.55 119.42 2qt1 n ASP 36 Ca 0.16 0.68 0.11 0.00 -0.53 0.00 0.00 54.79 55.21 2qt1 n ASP 36 Cb 0.47 -0.78 0.63 0.00 -0.64 0.00 0.00 41.12 40.80 2qt1 n ASP 36 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 2qt1 n ASP 37 N -2.16 0.00 -0.06 -2.24 8.00 -0.62 -3.78 116.55 115.69 2qt1 n ASP 37 Ca 0.01 -0.64 0.04 0.00 0.71 0.00 0.00 54.79 54.91 2qt1 n ASP 37 Cb 0.14 -0.01 0.06 0.00 -0.02 0.00 0.00 41.12 41.29 2qt1 n ASP 37 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 2qt1 n PHE 38 N -1.01 0.00 -1.87 1.24 3.72 -0.27 -5.03 117.46 114.23 2qt1 n PHE 38 Ca 0.16 -0.66 -0.39 0.00 -0.05 0.00 0.00 57.45 56.50 2qt1 n PHE 38 Cb 0.08 -0.09 0.02 0.00 -0.94 0.00 0.00 39.48 38.55 2qt1 n PHE 38 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 176.76 176.65 2qt1 s PHE 39 N -1.71 2.50 0.79 1.38 0.08 -1.25 -0.50 117.98 119.27 2qt1 s PHE 39 Ca 0.14 1.33 -0.11 0.00 0.12 0.00 0.00 56.93 58.41 2qt1 s PHE 39 Cb 0.12 -3.82 0.07 0.00 -0.57 0.00 0.00 43.02 38.82 2qt1 s PHE 39 CO 0.01 -2.70 1.09 0.15 -0.10 0.00 0.00 175.22 173.67 2qt1 s LYS 40 N -2.54 2.13 0.67 0.44 1.02 0.59 -4.74 119.74 117.32 2qt1 s LYS 40 Ca 0.63 1.02 -0.17 0.00 0.02 0.00 0.00 55.97 57.48 2qt1 s LYS 40 Cb -0.41 -1.89 0.01 0.00 -0.52 0.00 0.00 37.83 35.01 2qt1 s LYS 40 CO 0.52 -1.69 1.24 -2.14 -0.92 0.00 0.00 175.35 172.36 2qt1 s PRO 41 N -4.95 2.44 0.55 -1.68 0.02 -1.26 -4.92 135.00 125.20 2qt1 s PRO 41 Ca 0.61 1.90 0.24 0.00 0.02 0.00 0.00 61.00 63.77 2qt1 s PRO 41 Cb -0.17 -1.85 1.48 0.00 0.02 0.00 0.00 34.50 33.98 2qt1 s PRO 41 CO 0.56 -1.64 2.09 1.05 -0.33 0.00 0.00 177.00 178.73 2qt1 h GLU 42 N 0.24 0.00 0.00 5.54 9.09 -1.95 -1.19 114.58 126.30 2qt1 h GLU 42 Ca -0.49 0.00 -0.02 0.00 0.05 0.00 0.00 59.36 58.90 2qt1 h GLU 42 Cb 1.31 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 28.41 2qt1 h GLU 42 CO 0.52 0.00 -0.09 0.66 0.05 0.00 0.00 179.01 180.15 2qt1 h SER 43 N 0.00 0.00 0.15 3.06 4.64 -2.03 -1.71 113.55 117.66 2qt1 h SER 43 Ca 0.11 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.43 2qt1 h SER 43 Cb 0.49 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.58 2qt1 h SER 43 CO -0.00 0.09 -0.25 -0.62 -0.87 0.00 0.00 176.83 175.18 2qt1 n GLU 44 N -3.57 1.06 -3.29 4.77 1.02 -0.45 -4.88 120.64 115.30 2qt1 n GLU 44 Ca -0.02 -0.69 -0.38 0.00 -0.02 0.00 0.00 57.16 56.05 2qt1 n GLU 44 Cb 0.22 -1.49 -0.06 0.00 -0.02 0.00 0.00 31.44 30.09 2qt1 n GLU 44 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 2qt1 s ILE 45 N -2.42 5.17 0.58 -3.67 -1.09 -0.64 -4.95 121.20 114.18 2qt1 s ILE 45 Ca 0.25 0.97 -0.11 0.00 -2.23 0.00 0.00 60.65 59.53 2qt1 s ILE 45 Cb 0.19 -3.83 -0.04 0.00 -1.58 0.00 0.00 42.46 37.20 2qt1 s ILE 45 CO 0.50 0.29 0.98 -1.61 -1.23 0.00 0.00 174.94 173.87 2qt1 s GLU 46 N 0.87 3.63 -0.03 2.79 8.01 -1.26 -4.85 118.70 127.86 2qt1 s GLU 46 Ca 0.26 0.69 0.07 0.00 0.01 0.00 0.00 54.97 56.00 2qt1 s GLU 46 Cb -0.15 -2.13 -0.02 0.00 -4.31 0.00 0.00 34.13 27.52 2qt1 s GLU 46 CO 0.10 -0.48 -0.26 0.95 0.01 0.00 0.00 175.26 175.59 2qt1 s THR 47 N -3.04 2.07 0.57 3.63 -4.23 -1.26 -0.24 115.64 113.14 2qt1 s THR 47 Ca 0.54 -1.09 -0.09 0.00 -1.18 0.00 0.00 61.69 59.87 2qt1 s THR 47 Cb -0.11 -1.72 0.13 0.00 1.34 0.00 0.00 72.50 72.14 2qt1 s THR 47 CO 0.50 0.58 0.78 -0.90 -0.54 0.00 0.00 174.62 175.03 2qt1 n ASP 48 N 2.57 0.17 -0.34 3.99 5.68 -0.26 -4.89 116.55 123.47 2qt1 n ASP 48 Ca -0.16 -1.35 0.16 0.00 -0.50 0.00 0.00 54.79 52.94 2qt1 n ASP 48 Cb 0.51 -0.58 0.36 0.00 -1.14 0.00 0.00 41.12 40.27 2qt1 n ASP 48 CO 0.00 0.00 0.00 0.11 -1.33 0.00 0.00 177.20 175.98 2qt1 h LYS 49 N 0.00 0.57 -0.25 0.11 6.56 -2.02 -1.96 116.57 119.59 2qt1 h LYS 49 Ca -0.25 -0.03 0.00 0.00 -1.06 0.00 0.00 60.65 59.30 2qt1 h LYS 49 Cb 0.72 -0.13 0.00 0.00 -0.57 0.00 0.00 32.23 32.25 2qt1 h LYS 49 CO 0.19 0.38 0.00 0.09 -2.06 0.00 0.00 179.45 178.05 2qt1 n ASN 50 N -4.89 2.24 0.00 0.86 5.03 -1.26 -4.93 115.26 112.32 2qt1 n ASN 50 Ca 0.26 -1.82 0.00 0.00 0.87 0.00 0.00 54.58 53.88 2qt1 n ASN 50 Cb 0.70 -0.16 0.00 0.00 -1.02 0.00 0.00 39.78 39.30 2qt1 n ASN 50 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2qt1 n GLY 51 N 1.24 0.75 3.70 7.41 0.00 -0.73 -5.05 105.19 112.51 2qt1 n GLY 51 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 2qt1 n GLY 51 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2qt1 s PHE 52 N -2.15 3.55 0.24 1.61 0.08 -1.26 -4.76 117.98 115.29 2qt1 s PHE 52 Ca 0.00 1.48 -0.30 0.00 0.12 0.00 0.00 56.93 58.24 2qt1 s PHE 52 Cb 0.00 -3.05 -0.10 0.00 -0.57 0.00 0.00 43.02 39.31 2qt1 s PHE 52 CO 0.00 -0.09 1.36 -0.51 -0.10 0.00 0.00 175.22 175.88 2qt1 s LEU 53 N 1.46 4.41 -1.22 -0.37 1.43 -1.26 -1.10 118.68 122.02 2qt1 s LEU 53 Ca 0.45 2.56 -0.13 0.00 -1.03 0.00 0.00 54.13 55.98 2qt1 s LEU 53 Cb -0.19 -3.62 0.17 0.00 0.03 0.00 0.00 46.19 42.59 2qt1 s LEU 53 CO 0.20 -0.59 1.51 0.00 0.23 0.00 0.00 176.35 177.69 2qt1 n GLN 54 N 2.20 3.43 0.04 1.70 6.02 0.66 -4.72 117.38 126.70 2qt1 n GLN 54 Ca 0.05 -3.81 0.02 0.00 -0.01 0.00 0.00 57.00 53.25 2qt1 n GLN 54 Cb 0.42 -3.00 -0.08 0.00 1.02 0.00 0.00 30.24 28.59 2qt1 n GLN 54 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 2qt1 n TYR 55 N 5.22 0.89 -1.71 1.08 4.01 -1.26 -4.54 117.16 120.85 2qt1 n TYR 55 Ca 0.37 0.29 -0.37 0.00 -0.16 0.00 0.00 57.90 58.03 2qt1 n TYR 55 Cb 0.41 -1.04 0.05 0.00 -0.31 0.00 0.00 39.34 38.45 2qt1 n TYR 55 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 2qt1 n ASP 56 N -2.82 7.51 -3.87 7.72 9.92 -1.26 -4.68 116.55 129.07 2qt1 n ASP 56 Ca -0.09 -3.78 -0.10 0.00 -0.53 0.00 0.00 54.79 50.30 2qt1 n ASP 56 Cb 0.79 -1.05 -0.08 0.00 -0.64 0.00 0.00 41.12 40.13 2qt1 n ASP 56 CO 0.00 0.00 0.00 0.68 0.13 0.00 0.00 177.20 178.01 2qt1 s VAL 57 N -4.80 0.12 0.49 2.53 -7.23 -1.26 -4.79 120.40 105.47 2qt1 s VAL 57 Ca 0.56 -1.02 0.17 0.00 -1.81 0.00 0.00 61.98 59.87 2qt1 s VAL 57 Cb 0.45 -1.02 0.24 0.00 0.56 0.00 0.00 36.38 36.62 2qt1 s VAL 57 CO -0.28 -0.56 2.10 -0.07 -0.31 0.00 0.00 175.10 175.97 2qt1 h LEU 58 N 3.33 0.00 -2.05 1.32 3.38 -1.94 -1.53 115.31 117.82 2qt1 h LEU 58 Ca -0.33 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.64 2qt1 h LEU 58 Cb 1.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.94 2qt1 h LEU 58 CO 0.51 0.07 0.00 -0.33 0.09 0.00 0.00 178.44 178.78 2qt1 h GLU 59 N 0.00 0.00 -0.00 1.13 3.07 -1.94 -1.91 114.58 114.93 2qt1 h GLU 59 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 2qt1 h GLU 59 Cb 0.13 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.04 2qt1 h GLU 59 CO 0.01 0.00 -0.09 0.00 -1.40 0.00 0.00 179.01 177.53 2qt1 n ALA 60 N -1.95 2.71 -2.34 3.43 0.00 -0.57 -4.88 120.51 116.91 2qt1 n ALA 60 Ca -0.02 -0.24 -0.31 0.00 0.00 0.00 0.00 53.44 52.88 2qt1 n ALA 60 Cb 0.10 -1.37 -0.15 0.00 0.00 0.00 0.00 19.45 18.03 2qt1 n ALA 60 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2qt1 s LEU 61 N -2.50 2.14 0.30 0.00 1.43 -0.72 -0.30 118.68 119.03 2qt1 s LEU 61 Ca 0.29 -0.52 -0.17 0.00 -1.03 0.00 0.00 54.13 52.70 2qt1 s LEU 61 Cb 0.20 -1.32 -0.09 0.00 0.03 0.00 0.00 46.19 45.01 2qt1 s LEU 61 CO 0.47 0.29 0.75 0.21 0.23 0.00 0.00 176.35 178.30 2qt1 s ASN 62 N -0.94 6.87 0.00 2.29 3.84 0.34 -4.85 114.94 122.49 2qt1 s ASN 62 Ca 0.11 1.35 0.00 0.00 0.21 0.00 0.00 52.86 54.53 2qt1 s ASN 62 Cb -0.10 -2.40 0.00 0.00 -0.55 0.00 0.00 41.25 38.20 2qt1 s ASN 62 CO 0.01 -0.15 0.00 -0.62 -2.79 0.00 0.00 177.10 173.55 2qt1 n GLU 64 N -0.08 0.00 -1.42 0.43 1.02 -1.26 -4.92 120.64 114.41 2qt1 n GLU 64 Ca 0.02 0.00 -0.26 0.00 -0.02 0.00 0.00 57.16 56.91 2qt1 n GLU 64 Cb 0.53 0.00 -0.10 0.00 -0.02 0.00 0.00 31.44 31.84 2qt1 n GLU 64 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 2qt1 n LYS 65 N 0.00 0.48 0.00 3.49 4.81 -1.26 -4.68 118.16 121.00 2qt1 n LYS 65 Ca 0.00 -1.73 0.00 0.00 -0.87 0.00 0.00 58.31 55.71 2qt1 n LYS 65 Cb 0.00 -3.53 0.00 0.00 0.02 0.00 0.00 35.03 31.52 2qt1 n LYS 65 CO 0.00 0.00 0.00 0.43 1.17 0.00 0.00 177.40 179.00 2qt1 n SER 68 N 15.71 0.00 -0.24 3.14 7.64 -1.26 -4.71 113.62 133.90 2qt1 n SER 68 Ca 0.44 0.00 -0.07 0.00 1.01 0.00 0.00 58.87 60.25 2qt1 n SER 68 Cb 0.45 0.00 0.04 0.00 -1.01 0.00 0.00 64.21 63.69 2qt1 n SER 68 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2qt1 h ALA 69 N 0.00 0.85 -0.57 -0.43 0.00 -1.99 0.47 119.26 117.59 2qt1 h ALA 69 Ca 0.00 -0.16 0.02 0.00 0.00 0.00 0.00 54.91 54.77 2qt1 h ALA 69 Cb 0.00 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.50 2qt1 h ALA 69 CO 0.00 0.45 0.35 0.82 0.00 0.00 0.00 179.25 180.87 2qt1 h ILE 70 N 0.92 1.09 -0.54 0.00 2.04 -1.96 -1.13 117.51 117.92 2qt1 h ILE 70 Ca 0.22 -0.24 -0.06 0.00 1.00 0.00 0.00 64.86 65.78 2qt1 h ILE 70 Cb 0.18 0.32 -0.02 0.00 -0.74 0.00 0.00 36.82 36.55 2qt1 h ILE 70 CO -0.02 0.13 0.10 0.28 0.00 0.00 0.00 178.15 178.64 2qt1 h SER 71 N 0.70 0.80 -0.28 1.72 0.02 -1.86 -2.56 113.55 112.09 2qt1 h SER 71 Ca 0.22 -0.16 0.00 0.00 -0.84 0.00 0.00 61.79 61.02 2qt1 h SER 71 Cb -0.01 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.31 2qt1 h SER 71 CO -0.08 0.80 0.18 0.00 -1.14 0.00 0.00 176.83 176.58 2qt1 n TRP 73 N -4.88 0.00 0.00 0.00 -0.00 -0.46 -1.91 117.44 110.19 2qt1 n TRP 73 Ca -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.48 2qt1 n TRP 73 Cb 0.04 -0.08 0.00 0.00 -0.00 0.00 0.00 31.31 31.27 2qt1 n TRP 73 CO 0.00 0.00 0.00 -1.91 -0.00 0.00 0.00 177.69 175.78 2qt1 n GLU 75 N 0.89 0.00 -0.28 5.87 4.07 -0.64 0.20 120.64 130.74 2qt1 n GLU 75 Ca 0.00 0.00 -0.05 0.00 -0.06 0.00 0.00 57.16 57.05 2qt1 n GLU 75 Cb 0.00 0.00 0.07 0.00 -0.06 0.00 0.00 31.44 31.45 2qt1 n GLU 75 CO 0.00 0.00 0.00 1.03 -0.06 0.00 0.00 177.13 178.10 2qt1 h SER 76 N 0.00 0.92 -0.22 4.31 0.87 -1.66 -2.71 113.55 115.06 2qt1 h SER 76 Ca 0.00 -0.05 -0.01 0.00 -1.23 0.00 0.00 61.79 60.50 2qt1 h SER 76 Cb 0.00 -0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 61.72 2qt1 h SER 76 CO 0.00 0.69 0.11 0.00 -0.53 0.00 0.00 176.83 177.10 2qt1 h ALA 77 N 1.26 1.69 0.00 6.23 0.00 -0.51 -0.57 119.26 127.37 2qt1 h ALA 77 Ca 0.28 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.12 2qt1 h ALA 77 Cb -0.07 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.60 2qt1 h ALA 77 CO -0.06 0.25 0.00 0.00 0.00 0.00 0.00 179.25 179.44 2qt1 h ARG 78 N 0.37 0.00 -0.25 0.00 3.08 -1.65 -2.26 114.38 113.67 2qt1 h ARG 78 Ca 0.09 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.14 2qt1 h ARG 78 Cb 0.08 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.13 2qt1 h ARG 78 CO -0.01 0.00 0.00 0.72 -1.07 0.00 0.00 179.97 179.61 2qt1 n HIS 79 N -2.72 0.33 0.86 3.04 8.25 -0.25 -4.68 115.22 120.05 2qt1 n HIS 79 Ca 0.00 -0.37 0.13 0.00 -0.26 0.00 0.00 57.72 57.22 2qt1 n HIS 79 Cb 0.20 -0.02 0.50 0.00 1.12 0.00 0.00 29.99 31.79 2qt1 n HIS 79 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 2qt1 n SER 80 N 0.49 0.33 -3.96 0.41 3.41 -0.85 -4.61 113.62 108.85 2qt1 n SER 80 Ca 0.10 0.45 -0.29 0.00 -0.26 0.00 0.00 58.87 58.86 2qt1 n SER 80 Cb 0.38 -0.50 -0.16 0.00 -0.26 0.00 0.00 64.21 63.66 2qt1 n SER 80 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 2qt1 s VAL 81 N -3.04 1.41 0.46 -3.33 1.01 -1.26 -5.11 120.40 110.54 2qt1 s VAL 81 Ca 0.12 -0.77 -0.23 0.00 0.00 0.00 0.00 61.98 61.10 2qt1 s VAL 81 Cb 0.16 -1.49 -0.07 0.00 0.00 0.00 0.00 36.38 34.99 2qt1 s VAL 81 CO 0.57 0.21 1.21 0.54 0.00 0.00 0.00 175.10 177.64 2qt1 s VAL 82 N 1.51 2.87 0.28 2.92 0.11 -1.26 -4.95 120.40 121.89 2qt1 s VAL 82 Ca 0.01 0.67 -0.29 0.00 -2.93 0.00 0.00 61.98 59.44 2qt1 s VAL 82 Cb -0.15 -3.35 -0.10 0.00 -1.53 0.00 0.00 36.38 31.25 2qt1 s VAL 82 CO -0.08 0.01 1.22 -0.55 -3.33 0.00 0.00 175.10 172.36 2qt1 s SER 83 N -1.21 7.01 0.13 3.54 0.15 -1.26 -5.15 113.70 116.92 2qt1 s SER 83 Ca 0.64 2.44 0.00 0.00 0.70 0.00 0.00 55.95 59.73 2qt1 s SER 83 Cb -0.32 -2.63 0.00 0.00 -1.71 0.00 0.00 66.02 61.36 2qt1 s SER 83 CO 0.39 -0.36 0.00 0.35 1.20 0.00 0.00 173.24 174.81 2qt1 n THR 84 N 1.37 0.00 -4.41 6.45 -2.24 -1.26 -5.27 114.28 108.92 2qt1 n THR 84 Ca 0.01 0.00 -0.19 0.00 -2.27 0.00 0.00 64.05 61.60 2qt1 n THR 84 Cb 0.43 -0.05 -0.14 0.00 -2.10 0.00 0.00 70.33 68.47 2qt1 n THR 84 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 2qt1 s GLU 90 N -1.31 0.83 -0.47 -0.78 2.12 -1.26 -5.10 118.70 112.73 2qt1 s GLU 90 Ca 0.00 -0.43 -0.16 0.00 0.36 0.00 0.00 54.97 54.74 2qt1 s GLU 90 Cb 0.00 -0.80 0.06 0.00 0.26 0.00 0.00 34.13 33.65 2qt1 s GLU 90 CO 0.00 0.21 0.43 -1.21 -0.54 0.00 0.00 175.26 174.16 2qt1 s GLU 91 N -0.39 3.01 -0.32 4.30 2.02 -1.26 -5.04 118.70 121.01 2qt1 s GLU 91 Ca 0.03 -1.19 -0.13 0.00 0.02 0.00 0.00 54.97 53.71 2qt1 s GLU 91 Cb -0.05 -4.10 -0.03 0.00 0.10 0.00 0.00 34.13 30.06 2qt1 s GLU 91 CO -0.00 -1.02 0.26 0.42 0.02 0.00 0.00 175.26 174.93 2qt1 s ILE 92 N 1.87 5.27 0.56 -1.63 1.01 -1.26 -4.96 121.20 122.06 2qt1 s ILE 92 Ca 0.07 -0.02 -0.21 0.00 0.00 0.00 0.00 60.65 60.49 2qt1 s ILE 92 Cb -0.22 -3.68 -0.05 0.00 0.01 0.00 0.00 42.46 38.52 2qt1 s ILE 92 CO 0.08 0.06 1.24 -2.65 0.00 0.00 0.00 174.94 173.67 2qt1 n PRO 93 N 5.15 1.43 -5.17 2.79 -0.02 -1.26 -4.71 135.00 133.21 2qt1 n PRO 93 Ca -0.12 0.53 -0.32 0.00 -2.02 0.00 0.00 63.50 61.57 2qt1 n PRO 93 Cb 0.50 -2.44 -0.16 0.00 -0.02 0.00 0.00 33.50 31.38 2qt1 n PRO 93 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 2qt1 s ILE 94 N -1.34 2.23 -0.08 4.25 1.01 -0.71 -0.98 121.20 125.59 2qt1 s ILE 94 Ca 0.73 -0.99 0.05 0.00 0.00 0.00 0.00 60.65 60.44 2qt1 s ILE 94 Cb -0.43 -1.84 -0.01 0.00 0.01 0.00 0.00 42.46 40.20 2qt1 s ILE 94 CO 0.48 0.56 -0.24 -0.22 0.00 0.00 0.00 174.94 175.53 2qt1 s LEU 95 N 0.01 2.14 -0.19 2.97 2.96 -0.44 -1.09 118.68 125.03 2qt1 s LEU 95 Ca -0.08 -0.51 -0.03 0.00 -0.22 0.00 0.00 54.13 53.29 2qt1 s LEU 95 Cb -0.15 -1.41 -0.02 0.00 0.50 0.00 0.00 46.19 45.12 2qt1 s LEU 95 CO 0.05 0.21 -0.05 -0.63 -1.32 0.00 0.00 176.35 174.62 2qt1 s ILE 96 N 0.02 3.54 -0.19 6.68 1.01 -0.09 -0.41 121.20 131.75 2qt1 s ILE 96 Ca -0.09 -0.46 -0.04 0.00 0.00 0.00 0.00 60.65 60.07 2qt1 s ILE 96 Cb -0.15 -2.58 -0.02 0.00 0.01 0.00 0.00 42.46 39.72 2qt1 s ILE 96 CO 0.05 0.45 -0.03 -0.63 0.00 0.00 0.00 174.94 174.78 2qt1 s ILE 97 N 1.00 3.65 -0.06 2.92 1.01 0.61 -0.77 121.20 129.57 2qt1 s ILE 97 Ca 0.00 -0.42 0.03 0.00 0.00 0.00 0.00 60.65 60.27 2qt1 s ILE 97 Cb -0.15 -2.64 0.00 0.00 0.01 0.00 0.00 42.46 39.69 2qt1 s ILE 97 CO 0.00 0.44 -0.16 -1.83 0.00 0.00 0.00 174.94 173.40 2qt1 s GLU 98 N 1.01 1.90 0.00 2.79 4.04 -0.50 -1.10 118.70 126.83 2qt1 s GLU 98 Ca 0.01 -0.57 0.00 0.00 0.04 0.00 0.00 54.97 54.45 2qt1 s GLU 98 Cb -0.15 -1.58 0.00 0.00 0.02 0.00 0.00 34.13 32.42 2qt1 s GLU 98 CO 0.01 0.15 0.00 0.41 -1.84 0.00 0.00 175.26 173.99 2qt1 n GLY 99 N 3.44 1.04 0.03 -3.83 0.00 -0.44 -0.75 105.19 104.69 2qt1 n GLY 99 Ca -0.20 -0.53 0.07 0.00 0.00 0.00 0.00 46.02 45.37 2qt1 n GLY 99 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 2qt1 n PHE 100 N -0.11 0.21 -3.04 1.61 1.16 -1.26 -3.99 117.46 112.04 2qt1 n PHE 100 Ca 0.00 0.08 -0.15 0.00 -1.87 0.00 0.00 57.45 55.51 2qt1 n PHE 100 Cb 0.00 -0.64 0.00 0.00 -1.61 0.00 0.00 39.48 37.24 2qt1 n PHE 100 CO 0.00 0.00 0.00 -0.11 -1.87 0.00 0.00 176.76 174.78 2qt1 n LEU 101 N -1.69 0.16 -0.10 5.98 7.94 -1.26 -4.50 117.00 123.53 2qt1 n LEU 101 Ca 0.03 -4.59 -0.12 0.00 -1.11 0.00 0.00 56.01 50.22 2qt1 n LEU 101 Cb 0.16 0.72 -0.12 0.00 0.53 0.00 0.00 43.42 44.71 2qt1 n LEU 101 CO 0.13 2.17 -1.13 0.18 -1.11 0.00 0.00 177.39 177.64 2qt1 n LEU 102 N 0.24 1.47 -0.93 -1.96 4.77 -1.26 -4.65 117.00 114.68 2qt1 n LEU 102 Ca 0.19 -0.06 0.07 0.00 -0.03 0.00 0.00 56.01 56.18 2qt1 n LEU 102 Cb 0.69 -0.16 0.21 0.00 -2.33 0.00 0.00 43.42 41.83 2qt1 n LEU 102 CO 0.17 0.64 0.66 0.49 -1.33 0.00 0.00 177.39 178.02 2qt1 n PHE 103 N -2.87 0.73 0.05 -1.77 3.72 -1.26 -2.72 117.46 113.34 2qt1 n PHE 103 Ca -0.33 -0.33 0.03 0.00 -0.05 0.00 0.00 57.45 56.77 2qt1 n PHE 103 Cb 0.98 -0.06 0.05 0.00 -0.94 0.00 0.00 39.48 39.50 2qt1 n PHE 103 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 176.76 176.98 2qt1 n ASN 104 N 0.75 1.98 -4.44 4.37 6.94 -1.26 -4.94 115.26 118.65 2qt1 n ASN 104 Ca 0.15 -1.65 -0.44 0.00 -0.02 0.00 0.00 54.58 52.63 2qt1 n ASN 104 Cb 0.46 -0.06 -0.05 0.00 -2.36 0.00 0.00 39.78 37.77 2qt1 n ASN 104 CO 0.00 0.00 0.00 -0.47 -1.03 0.00 0.00 177.26 175.76 2qt1 s TYR 105 N -0.74 2.95 0.31 -2.53 5.04 -1.10 -4.96 117.35 116.32 2qt1 s TYR 105 Ca 0.09 -0.55 0.03 0.00 -2.44 0.00 0.00 57.07 54.20 2qt1 s TYR 105 Cb 0.05 -3.81 0.51 0.00 0.35 0.00 0.00 41.96 39.05 2qt1 s TYR 105 CO 0.07 -1.21 1.80 0.87 -1.34 0.00 0.00 175.55 175.74 2qt1 h LYS 106 N 9.15 0.51 -0.05 4.97 1.79 -1.92 -2.07 116.57 128.95 2qt1 h LYS 106 Ca -0.28 -0.15 0.01 0.00 -2.18 0.00 0.00 60.65 58.06 2qt1 h LYS 106 Cb 1.09 -0.05 -0.00 0.00 -1.58 0.00 0.00 32.23 31.68 2qt1 h LYS 106 CO 1.04 0.62 0.13 -1.35 -1.08 0.00 0.00 179.45 178.81 2qt1 h PRO 107 N 0.47 0.00 -0.46 3.15 0.11 -1.98 -1.35 132.00 131.94 2qt1 h PRO 107 Ca 0.09 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.20 2qt1 h PRO 107 Cb 0.49 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.60 2qt1 h PRO 107 CO 0.03 0.00 0.00 1.28 -0.21 0.00 0.00 178.00 179.10 2qt1 n LEU 108 N -3.30 3.58 0.12 2.35 4.77 -0.78 -4.59 117.00 119.15 2qt1 n LEU 108 Ca -0.02 -1.60 0.10 0.00 -0.03 0.00 0.00 56.01 54.46 2qt1 n LEU 108 Cb 0.21 -0.30 0.46 0.00 -2.33 0.00 0.00 43.42 41.47 2qt1 n LEU 108 CO 0.21 0.80 0.80 -0.90 -1.33 0.00 0.00 177.39 176.97 2qt1 n ASP 109 N 1.53 0.50 -0.33 -1.43 5.75 -0.51 -1.20 116.55 120.85 2qt1 n ASP 109 Ca 0.20 0.67 0.03 0.00 -0.01 0.00 0.00 54.79 55.69 2qt1 n ASP 109 Cb 0.61 -0.76 0.07 0.00 -1.03 0.00 0.00 41.12 40.01 2qt1 n ASP 109 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 2qt1 n THR 110 N -2.10 0.78 0.09 2.12 -2.24 -1.26 -4.64 114.28 107.03 2qt1 n THR 110 Ca 0.01 -0.89 -0.02 0.00 -2.27 0.00 0.00 64.05 60.88 2qt1 n THR 110 Cb 0.12 0.64 -0.04 0.00 -2.10 0.00 0.00 70.33 68.94 2qt1 n THR 110 CO 0.00 0.00 0.00 -0.29 -0.57 0.00 0.00 175.07 174.21 2qt1 h ILE 111 N 1.15 1.13 -3.37 2.28 2.10 -1.48 -3.46 117.51 115.86 2qt1 h ILE 111 Ca 0.00 -2.64 -0.58 0.00 1.08 0.00 0.00 64.86 62.72 2qt1 h ILE 111 Cb 0.55 2.54 -0.07 0.00 -1.09 0.00 0.00 36.82 38.74 2qt1 h ILE 111 CO 0.00 0.64 0.78 0.26 -1.08 0.00 0.00 178.15 178.75 2qt1 s TRP 112 N -2.85 3.13 0.10 2.19 0.52 -1.26 -4.59 118.94 116.17 2qt1 s TRP 112 Ca 0.02 1.08 0.07 0.00 0.02 0.00 0.00 56.10 57.29 2qt1 s TRP 112 Cb 0.09 -3.68 -0.22 0.00 -1.15 0.00 0.00 33.47 28.51 2qt1 s TRP 112 CO 0.78 -0.78 1.19 -0.91 0.02 0.00 0.00 176.95 177.25 2qt1 h ASN 113 N 8.21 0.01 -4.74 2.95 -0.26 -1.03 -3.46 115.58 117.26 2qt1 h ASN 113 Ca -0.21 -0.02 -0.16 0.00 -0.56 0.00 0.00 56.30 55.35 2qt1 h ASN 113 Cb 1.07 -0.00 -0.22 0.00 -1.06 0.00 0.00 38.32 38.10 2qt1 h ASN 113 CO 1.02 1.01 -0.55 -0.13 -1.06 0.00 0.00 177.43 177.72 2qt1 s ARG 114 N -2.69 0.38 -0.04 0.81 0.52 -1.05 -5.00 118.95 111.88 2qt1 s ARG 114 Ca 0.00 -0.33 -0.00 0.00 -0.52 0.00 0.00 55.73 54.88 2qt1 s ARG 114 Cb 0.10 0.16 0.03 0.00 0.52 0.00 0.00 34.95 35.75 2qt1 s ARG 114 CO 0.82 -0.08 0.01 -1.12 0.02 0.00 0.00 175.30 174.95 2qt1 s SER 115 N -1.11 0.68 0.12 0.23 0.01 -1.26 -0.89 113.70 111.47 2qt1 s SER 115 Ca -0.12 -0.01 0.09 0.00 1.31 0.00 0.00 55.95 57.22 2qt1 s SER 115 Cb -0.07 -0.23 -0.04 0.00 0.21 0.00 0.00 66.02 65.90 2qt1 s SER 115 CO 0.01 -0.14 -0.22 -0.31 0.41 0.00 0.00 173.24 172.99 2qt1 s TYR 116 N 1.35 1.90 -0.15 2.43 2.02 0.01 -1.26 117.35 123.65 2qt1 s TYR 116 Ca -0.05 -0.42 -0.04 0.00 -0.37 0.00 0.00 57.07 56.19 2qt1 s TYR 116 Cb -0.13 -1.02 0.06 0.00 -0.40 0.00 0.00 41.96 40.48 2qt1 s TYR 116 CO -0.03 0.26 0.15 0.12 -1.57 0.00 0.00 175.55 174.48 2qt1 s PHE 117 N -1.31 -0.07 -0.07 2.71 5.36 0.42 -1.03 117.98 123.99 2qt1 s PHE 117 Ca 0.10 0.15 -0.21 0.00 -0.96 0.00 0.00 56.93 56.01 2qt1 s PHE 117 Cb -0.09 -0.45 -0.04 0.00 -0.34 0.00 0.00 43.02 42.09 2qt1 s PHE 117 CO 0.05 -0.45 0.60 -0.51 -1.46 0.00 0.00 175.22 173.45 2qt1 s LEU 118 N 2.24 4.33 0.00 6.12 1.43 -0.30 -0.12 118.68 132.38 2qt1 s LEU 118 Ca 0.04 1.05 0.07 0.00 -1.03 0.00 0.00 54.13 54.26 2qt1 s LEU 118 Cb -0.15 -2.91 -0.02 0.00 0.03 0.00 0.00 46.19 43.14 2qt1 s LEU 118 CO -0.09 -0.03 -0.21 0.42 0.23 0.00 0.00 176.35 176.68 2qt1 s THR 119 N 0.51 1.68 -0.03 5.49 -4.23 0.01 -2.16 115.64 116.92 2qt1 s THR 119 Ca 0.32 -1.00 -0.06 0.00 -1.18 0.00 0.00 61.69 59.78 2qt1 s THR 119 Cb -0.17 -1.41 0.01 0.00 1.34 0.00 0.00 72.50 72.26 2qt1 s THR 119 CO 0.15 0.39 0.13 0.27 -0.54 0.00 0.00 174.62 175.03 2qt1 s ILE 120 N -0.59 0.04 0.84 2.99 -4.36 -1.26 -0.48 121.20 118.38 2qt1 s ILE 120 Ca 0.08 -0.31 -0.11 0.00 -0.26 0.00 0.00 60.65 60.05 2qt1 s ILE 120 Cb -0.08 -0.30 0.10 0.00 1.25 0.00 0.00 42.46 43.43 2qt1 s ILE 120 CO -0.00 -0.17 1.10 -2.84 0.24 0.00 0.00 174.94 173.26 2qt1 s PRO 121 N -0.56 1.68 0.20 0.37 0.02 -1.26 -4.73 135.00 130.72 2qt1 s PRO 121 Ca -0.06 1.07 -0.21 0.00 0.02 0.00 0.00 61.00 61.82 2qt1 s PRO 121 Cb -0.04 -1.84 0.15 0.00 0.02 0.00 0.00 34.50 32.79 2qt1 s PRO 121 CO 0.01 -2.02 1.57 -0.92 -0.33 0.00 0.00 177.00 175.31 2qt1 h TYR 122 N -1.40 -1.05 0.11 6.54 3.20 -2.01 -1.26 116.97 121.09 2qt1 h TYR 122 Ca -0.46 0.09 -0.01 0.00 3.14 0.00 0.00 58.73 61.49 2qt1 h TYR 122 Cb 1.26 0.57 0.00 0.00 1.54 0.00 0.00 36.73 40.10 2qt1 h TYR 122 CO 0.51 -0.40 -0.05 0.93 -1.64 0.00 0.00 178.16 177.51 2qt1 h GLU 123 N -0.11 -0.14 -0.30 1.82 4.39 -2.00 -1.24 114.58 117.00 2qt1 h GLU 123 Ca 0.26 0.01 -0.12 0.00 0.34 0.00 0.00 59.36 59.85 2qt1 h GLU 123 Cb 0.57 0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.23 2qt1 h GLU 123 CO -0.79 -0.05 -0.31 1.49 -1.16 0.00 0.00 179.01 178.19 2qt1 h GLU 124 N -0.20 0.63 -0.39 2.33 4.57 -1.89 -1.45 114.58 118.19 2qt1 h GLU 124 Ca -0.01 -0.28 0.02 0.00 -1.18 0.00 0.00 59.36 57.91 2qt1 h GLU 124 Cb 0.16 -0.02 -0.03 0.00 -0.16 0.00 0.00 28.75 28.70 2qt1 h GLU 124 CO 0.02 0.86 0.22 0.00 -1.18 0.00 0.00 179.01 178.94 2qt1 h LYS 126 N 0.44 0.54 -0.19 0.00 3.64 -1.00 0.91 116.57 120.91 2qt1 h LYS 126 Ca 0.16 -0.05 0.03 0.00 -1.27 0.00 0.00 60.65 59.52 2qt1 h LYS 126 Cb 0.03 -0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 31.70 2qt1 h LYS 126 CO -0.08 0.41 -0.01 -0.09 -2.27 0.00 0.00 179.45 177.41 2qt1 h ARG 127 N 0.52 0.05 -0.62 1.90 2.43 -0.98 -1.95 114.38 115.73 2qt1 h ARG 127 Ca 0.14 -0.00 -0.08 0.00 -0.81 0.00 0.00 59.98 59.23 2qt1 h ARG 127 Cb 0.01 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.53 2qt1 h ARG 127 CO -0.03 0.03 0.07 0.00 -1.51 0.00 0.00 179.97 178.53 2qt1 h ARG 128 N 0.05 1.05 -0.86 0.20 3.08 -0.71 -2.64 114.38 114.55 2qt1 h ARG 128 Ca 0.09 -0.30 0.03 0.00 0.07 0.00 0.00 59.98 59.87 2qt1 h ARG 128 Cb 0.12 -0.11 -0.05 0.00 0.08 0.00 0.00 29.97 30.01 2qt1 h ARG 128 CO -0.16 1.00 0.57 -0.09 -1.07 0.00 0.00 179.97 180.21 2qt1 h ARG 129 N 0.96 1.05 0.00 0.04 9.65 -0.61 -0.91 114.38 124.57 2qt1 h ARG 129 Ca 0.18 -0.06 0.00 0.00 -1.10 0.00 0.00 59.98 59.00 2qt1 h ARG 129 Cb 0.48 -0.24 0.00 0.00 -1.39 0.00 0.00 29.97 28.82 2qt1 h ARG 129 CO 0.02 0.70 0.00 0.66 2.80 0.00 0.00 179.97 184.15 2qt1 h SER 130 N 1.09 0.00 1.41 -3.80 4.64 -0.98 -2.41 113.55 113.50 2qt1 h SER 130 Ca 0.34 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.66 2qt1 h SER 130 Cb -0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2qt1 h SER 130 CO -0.10 0.00 -0.32 0.71 -0.87 0.00 0.00 176.83 176.26 2qt1 h THR 131 N 0.00 0.00 -3.08 2.95 1.35 -1.11 -3.46 112.91 109.55 2qt1 h THR 131 Ca 0.00 -0.73 -0.58 0.00 -0.55 0.00 0.00 66.41 64.55 2qt1 h THR 131 Cb 0.32 1.55 -0.03 0.00 -1.73 0.00 0.00 68.15 68.25 2qt1 h THR 131 CO 0.00 0.00 -0.35 -0.60 -0.25 0.00 0.00 175.52 174.32 2qt1 s ARG 132 N -3.19 3.57 -0.23 4.72 3.52 -0.91 -5.09 118.95 121.33 2qt1 s ARG 132 Ca 0.07 -0.19 -0.06 0.00 -0.13 0.00 0.00 55.73 55.42 2qt1 s ARG 132 Cb 0.10 -2.89 -0.02 0.00 -1.56 0.00 0.00 34.95 30.58 2qt1 s ARG 132 CO 0.68 0.49 0.01 0.08 -0.81 0.00 0.00 175.30 175.76 2qt1 s VAL 133 N -1.65 3.87 0.28 7.11 1.01 -1.26 -4.95 120.40 124.80 2qt1 s VAL 133 Ca 0.40 -0.32 0.06 0.00 0.00 0.00 0.00 61.98 62.11 2qt1 s VAL 133 Cb -0.12 -2.78 -0.02 0.00 0.00 0.00 0.00 36.38 33.45 2qt1 s VAL 133 CO 0.26 0.38 0.39 -0.31 0.00 0.00 0.00 175.10 175.82 2qt1 s TYR 134 N 1.51 3.29 -0.29 5.22 2.02 -1.26 -5.03 117.35 122.81 2qt1 s TYR 134 Ca 0.06 -0.11 0.03 0.00 -0.37 0.00 0.00 57.07 56.68 2qt1 s TYR 134 Cb -0.15 -1.72 0.08 0.00 -0.40 0.00 0.00 41.96 39.77 2qt1 s TYR 134 CO 0.00 0.27 -0.02 1.14 -1.57 0.00 0.00 175.55 175.38 2qt1 s GLN 135 N -4.04 1.68 0.78 -0.62 -2.07 -1.26 -1.49 119.66 112.65 2qt1 s GLN 135 Ca 0.38 -1.44 -0.11 0.00 -1.82 0.00 0.00 55.36 52.37 2qt1 s GLN 135 Cb -0.09 -2.86 0.06 0.00 -1.09 0.00 0.00 33.01 29.03 2qt1 s GLN 135 CO 0.29 -0.75 1.09 -1.25 -1.32 0.00 0.00 175.29 173.35 2qt1 s PRO 136 N 1.14 2.20 0.67 9.60 0.04 -1.26 -5.09 135.00 142.30 2qt1 s PRO 136 Ca 0.01 0.70 -0.13 0.00 0.04 0.00 0.00 61.00 61.62 2qt1 s PRO 136 Cb -0.19 -1.93 0.00 0.00 0.04 0.00 0.00 34.50 32.42 2qt1 s PRO 136 CO -0.08 -1.55 1.07 -1.25 0.04 0.00 0.00 177.00 175.23 2qt1 s PRO 137 N -5.13 2.92 0.03 0.56 0.04 -0.55 -4.95 135.00 127.91 2qt1 s PRO 137 Ca 0.60 1.15 -0.32 0.00 0.04 0.00 0.00 61.00 62.47 2qt1 s PRO 137 Cb -0.14 -1.98 -0.11 0.00 0.04 0.00 0.00 34.50 32.30 2qt1 s PRO 137 CO 0.54 -1.13 1.86 -0.25 0.04 0.00 0.00 177.00 178.06 2qt1 n ASP 138 N -2.71 3.74 -4.66 6.66 8.00 -1.26 -4.97 116.55 121.35 2qt1 n ASP 138 Ca 0.09 0.97 -0.30 0.00 0.71 0.00 0.00 54.79 56.26 2qt1 n ASP 138 Cb 0.53 -1.46 0.17 0.00 -0.02 0.00 0.00 41.12 40.33 2qt1 n ASP 138 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 2qt1 s SER 139 N 3.44 2.87 0.43 -2.24 1.04 -1.26 -4.91 113.70 113.06 2qt1 s SER 139 Ca 0.87 1.72 -0.26 0.00 0.48 0.00 0.00 55.95 58.77 2qt1 s SER 139 Cb -0.57 -2.35 -0.09 0.00 0.10 0.00 0.00 66.02 63.11 2qt1 s SER 139 CO 0.44 -3.06 1.38 -2.65 0.98 0.00 0.00 173.24 170.33 2qt1 n PRO 140 N -4.17 2.17 -1.05 4.02 -0.02 -1.26 -2.16 135.00 132.52 2qt1 n PRO 140 Ca 0.08 0.77 -0.02 0.00 -2.02 0.00 0.00 63.50 62.31 2qt1 n PRO 140 Cb 0.54 -2.54 -0.01 0.00 -0.02 0.00 0.00 33.50 31.47 2qt1 n PRO 140 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2qt1 n GLY 141 N 0.66 0.35 0.21 -1.23 0.00 -1.26 -4.91 105.19 99.00 2qt1 n GLY 141 Ca 0.05 -0.06 -0.04 0.00 0.00 0.00 0.00 46.02 45.98 2qt1 n GLY 141 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 2qt1 h TYR 142 N 0.00 0.43 -0.03 1.61 3.20 -1.79 -0.07 116.97 120.31 2qt1 h TYR 142 Ca -0.04 -0.12 -0.01 0.00 3.14 0.00 0.00 58.73 61.71 2qt1 h TYR 142 Cb 0.66 -0.09 -0.00 0.00 1.54 0.00 0.00 36.73 38.84 2qt1 h TYR 142 CO 0.39 0.73 0.00 0.35 -1.64 0.00 0.00 178.16 178.00 2qt1 h PHE 143 N 0.30 0.06 -0.03 -3.82 3.57 -1.91 -0.43 116.94 114.69 2qt1 h PHE 143 Ca 0.02 -0.01 -0.17 0.00 3.53 0.00 0.00 57.97 61.34 2qt1 h PHE 143 Cb 0.88 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 39.59 2qt1 h PHE 143 CO 0.02 0.33 -0.76 -0.44 -2.23 0.00 0.00 178.31 175.24 2qt1 h ASP 144 N -0.22 0.25 1.50 0.41 3.32 -1.97 0.22 116.42 119.93 2qt1 h ASP 144 Ca 0.01 -0.18 0.00 0.00 0.02 0.00 0.00 57.03 56.88 2qt1 h ASP 144 Cb 0.31 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 39.78 2qt1 h ASP 144 CO 0.00 0.92 -0.47 1.23 -1.72 0.00 0.00 179.24 179.19 2qt1 h GLY 145 N 1.72 0.00 0.00 2.75 0.00 -0.94 -3.40 103.07 103.21 2qt1 h GLY 145 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.30 2qt1 h GLY 145 CO 0.12 0.00 0.00 1.57 0.00 0.00 0.00 176.54 178.23 2qt1 n HIS 146 N -2.86 -1.87 0.17 5.60 -0.00 -0.23 -4.86 115.22 111.17 2qt1 n HIS 146 Ca 0.02 0.37 -0.14 0.00 -0.00 0.00 0.00 57.72 57.97 2qt1 n HIS 146 Cb 0.53 0.80 -0.08 0.00 -0.00 0.00 0.00 29.99 31.25 2qt1 n HIS 146 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.34 176.62 2qt1 h VAL 147 N 0.00 0.74 -0.14 3.57 2.07 -1.16 -3.20 116.25 118.13 2qt1 h VAL 147 Ca 0.00 -0.12 -0.04 0.00 0.82 0.00 0.00 66.70 67.35 2qt1 h VAL 147 Cb 0.00 0.81 -0.00 0.00 -1.52 0.00 0.00 31.29 30.58 2qt1 h VAL 147 CO 0.00 0.03 -0.09 -0.25 0.02 0.00 0.00 177.57 177.28 2qt1 h TRP 148 N -0.44 0.35 0.00 1.57 2.91 -1.22 -1.06 115.95 118.06 2qt1 h TRP 148 Ca -0.04 -0.09 0.00 0.00 1.13 0.00 0.00 58.89 59.89 2qt1 h TRP 148 Cb 0.33 -0.08 0.00 0.00 -0.51 0.00 0.00 29.16 28.91 2qt1 h TRP 148 CO -0.04 0.65 0.00 -2.30 -1.03 0.00 0.00 178.44 175.72 2qt1 n PRO 149 N -4.64 0.00 0.00 2.65 -0.02 -1.21 -1.04 135.00 130.74 2qt1 n PRO 149 Ca -0.06 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.42 2qt1 n PRO 149 Cb 0.31 -1.40 0.00 0.00 -0.02 0.00 0.00 33.50 32.39 2qt1 n PRO 149 CO 0.00 0.00 0.00 0.98 1.98 0.00 0.00 175.50 178.46 2qt1 n TYR 151 N 1.00 0.00 -0.18 6.00 9.36 -0.40 -1.60 117.16 131.34 2qt1 n TYR 151 Ca 0.00 0.00 -0.03 0.00 3.32 0.00 0.00 57.90 61.19 2qt1 n TYR 151 Cb 0.00 0.00 0.18 0.00 -0.63 0.00 0.00 39.34 38.89 2qt1 n TYR 151 CO 0.00 0.00 0.00 -0.07 0.22 0.00 0.00 176.86 177.01 2qt1 h LEU 152 N 0.00 0.85 -0.54 2.98 3.38 -1.36 -0.54 115.31 120.08 2qt1 h LEU 152 Ca 0.00 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.85 2qt1 h LEU 152 Cb 0.00 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.50 2qt1 h LEU 152 CO 0.00 0.77 0.34 0.50 0.09 0.00 0.00 178.44 180.15 2qt1 h LYS 153 N 0.91 0.73 -0.17 1.13 3.64 -1.55 -1.01 116.57 120.24 2qt1 h LYS 153 Ca 0.21 -0.05 0.01 0.00 -1.27 0.00 0.00 60.65 59.55 2qt1 h LYS 153 Cb 0.20 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 31.85 2qt1 h LYS 153 CO -0.02 0.50 0.07 -0.92 -2.27 0.00 0.00 179.45 176.82 2qt1 h TYR 154 N 0.73 0.13 -0.81 1.91 3.20 -1.72 0.17 116.97 120.58 2qt1 h TYR 154 Ca 0.20 0.01 0.02 0.00 3.14 0.00 0.00 58.73 62.09 2qt1 h TYR 154 Cb -0.05 -0.04 -0.04 0.00 1.54 0.00 0.00 36.73 38.14 2qt1 h TYR 154 CO -0.03 0.07 0.54 0.00 -1.64 0.00 0.00 178.16 177.10 2qt1 h ARG 155 N 0.16 1.03 -0.52 1.82 2.47 -0.95 -2.15 114.38 116.24 2qt1 h ARG 155 Ca 0.07 -0.06 -0.03 0.00 -1.26 0.00 0.00 59.98 58.69 2qt1 h ARG 155 Cb 0.02 -0.23 -0.02 0.00 -1.65 0.00 0.00 29.97 28.09 2qt1 h ARG 155 CO -0.06 0.68 0.20 0.37 0.56 0.00 0.00 179.97 181.73 2qt1 h GLN 156 N 1.07 0.78 -1.96 0.04 -0.00 -0.81 -3.19 115.11 111.04 2qt1 h GLN 156 Ca 0.30 -0.15 0.00 0.00 -0.00 0.00 0.00 58.65 58.81 2qt1 h GLN 156 Cb -0.07 -0.12 0.00 0.00 0.00 0.00 0.00 27.48 27.28 2qt1 h GLN 156 CO -0.07 0.70 0.00 0.39 0.00 0.00 0.00 178.83 179.85 2qt1 n GLU 157 N -4.52 0.00 0.00 1.69 1.02 0.56 -4.50 120.64 114.89 2qt1 n GLU 157 Ca 0.02 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.16 2qt1 n GLU 157 Cb 0.17 -1.34 0.00 0.00 -0.02 0.00 0.00 31.44 30.24 2qt1 n GLU 157 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 2qt1 n GLN 159 N 1.59 0.00 -0.84 3.49 3.00 -1.21 -4.56 117.38 118.85 2qt1 n GLN 159 Ca 0.00 0.00 -0.05 0.00 -0.01 0.00 0.00 57.00 56.94 2qt1 n GLN 159 Cb 0.00 -0.57 0.23 0.00 0.00 0.00 0.00 30.24 29.89 2qt1 n GLN 159 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.06 176.66 2qt1 n ASP 160 N 0.71 3.35 -4.74 1.08 5.68 -1.26 -5.05 116.55 116.33 2qt1 n ASP 160 Ca 0.00 -3.51 -0.41 0.00 -0.50 0.00 0.00 54.79 50.37 2qt1 n ASP 160 Cb 0.00 -0.67 0.01 0.00 -1.14 0.00 0.00 41.12 39.32 2qt1 n ASP 160 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2qt1 n ILE 161 N -0.86 2.43 0.10 2.12 3.06 -1.26 -4.94 119.36 120.01 2qt1 n ILE 161 Ca 0.37 -0.50 0.09 0.00 -2.50 0.00 0.00 62.75 60.21 2qt1 n ILE 161 Cb 1.18 -1.74 0.26 0.00 0.54 0.00 0.00 39.64 39.88 2qt1 n ILE 161 CO 0.00 0.00 0.00 0.35 -2.50 0.00 0.00 176.55 174.40 2qt1 n THR 162 N 0.01 0.86 -4.07 9.51 -2.24 -1.26 -4.93 114.28 112.17 2qt1 n THR 162 Ca 0.05 -0.80 -0.10 0.00 -2.27 0.00 0.00 64.05 60.93 2qt1 n THR 162 Cb 0.39 0.35 -0.08 0.00 -2.10 0.00 0.00 70.33 68.89 2qt1 n THR 162 CO 0.00 0.00 0.00 -1.66 -0.57 0.00 0.00 175.07 172.84 2qt1 s TRP 163 N -1.28 0.67 0.20 4.78 -2.14 -1.26 -5.13 118.94 114.78 2qt1 s TRP 163 Ca 0.39 -1.01 -0.30 0.00 2.66 0.00 0.00 56.10 57.84 2qt1 s TRP 163 Cb 0.21 -0.25 -0.08 0.00 -3.10 0.00 0.00 33.47 30.26 2qt1 s TRP 163 CO 0.26 -0.68 0.96 -1.21 -2.66 0.00 0.00 176.95 173.62 2qt1 s GLU 164 N -4.03 4.79 -0.03 3.25 2.02 -1.26 -5.06 118.70 118.37 2qt1 s GLU 164 Ca 0.24 1.50 0.07 0.00 0.02 0.00 0.00 54.97 56.80 2qt1 s GLU 164 Cb 0.05 -3.31 -0.02 0.00 0.10 0.00 0.00 34.13 30.95 2qt1 s GLU 164 CO 0.04 0.39 -0.23 0.08 0.02 0.00 0.00 175.26 175.56 2qt1 s VAL 165 N -0.77 2.32 -0.31 2.63 1.01 -1.26 -4.51 120.40 119.51 2qt1 s VAL 165 Ca 0.43 -1.01 -0.13 0.00 0.00 0.00 0.00 61.98 61.27 2qt1 s VAL 165 Cb -0.25 -1.84 -0.03 0.00 0.00 0.00 0.00 36.38 34.26 2qt1 s VAL 165 CO 0.32 0.58 0.26 -0.69 0.00 0.00 0.00 175.10 175.57 2qt1 s VAL 166 N -0.65 5.26 -0.07 2.92 1.01 -0.39 -4.99 120.40 123.49 2qt1 s VAL 166 Ca 0.10 0.11 -0.18 0.00 0.00 0.00 0.00 61.98 62.02 2qt1 s VAL 166 Cb -0.10 -3.66 -0.05 0.00 0.00 0.00 0.00 36.38 32.57 2qt1 s VAL 166 CO -0.01 0.11 0.48 -0.31 0.00 0.00 0.00 175.10 175.37 2qt1 s TYR 167 N 1.85 3.60 0.09 5.22 2.02 -1.26 -0.43 117.35 128.44 2qt1 s TYR 167 Ca 0.09 0.97 0.09 0.00 -0.37 0.00 0.00 57.07 57.85 2qt1 s TYR 167 Cb -0.16 -2.49 -0.04 0.00 -0.40 0.00 0.00 41.96 38.87 2qt1 s TYR 167 CO 0.11 0.32 -0.21 -0.51 -1.57 0.00 0.00 175.55 173.69 2qt1 s LEU 168 N 0.03 2.52 -0.64 -1.29 1.43 0.83 -4.91 118.68 116.65 2qt1 s LEU 168 Ca 0.26 -0.58 -0.24 0.00 -1.03 0.00 0.00 54.13 52.55 2qt1 s LEU 168 Cb -0.16 -1.43 0.05 0.00 0.03 0.00 0.00 46.19 44.68 2qt1 s LEU 168 CO 0.12 0.21 1.02 -0.62 0.23 0.00 0.00 176.35 177.31 2qt1 s ASP 169 N -1.83 6.23 0.00 2.29 -1.08 -1.26 -0.81 116.67 120.20 2qt1 s ASP 169 Ca 0.15 -0.68 0.17 0.00 -0.52 0.00 0.00 52.55 51.67 2qt1 s ASP 169 Cb -0.10 -2.45 0.94 0.00 -1.46 0.00 0.00 42.92 39.84 2qt1 s ASP 169 CO 0.07 -1.45 1.44 0.61 0.52 0.00 0.00 175.17 176.36 2qt1 n GLY 170 N 5.27 -0.65 0.11 2.66 0.00 0.36 -2.02 105.19 110.92 2qt1 n GLY 170 Ca -0.01 -0.09 0.13 0.00 0.00 0.00 0.00 46.02 46.04 2qt1 n GLY 170 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2qt1 h THR 171 N 0.00 0.00 -3.59 2.61 1.35 -1.90 -3.46 112.91 107.91 2qt1 h THR 171 Ca 0.00 -0.58 -0.55 0.00 -0.55 0.00 0.00 66.41 64.73 2qt1 h THR 171 Cb 0.06 1.43 0.19 0.00 -1.73 0.00 0.00 68.15 68.10 2qt1 h THR 171 CO 0.00 0.00 -0.15 0.29 -0.25 0.00 0.00 175.52 175.41 2qt1 n LYS 172 N -2.36 0.23 -1.33 4.72 5.02 -0.86 -4.99 118.16 118.59 2qt1 n LYS 172 Ca 0.04 0.13 -0.31 0.00 -2.02 0.00 0.00 58.31 56.16 2qt1 n LYS 172 Cb 0.45 -2.06 0.08 0.00 -0.02 0.00 0.00 35.03 33.49 2qt1 n LYS 172 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 2qt1 s SER 173 N -1.74 4.64 0.18 4.39 1.04 -1.26 -4.80 113.70 116.15 2qt1 s SER 173 Ca 0.68 1.74 -0.13 0.00 0.48 0.00 0.00 55.95 58.72 2qt1 s SER 173 Cb -0.31 -2.48 0.16 0.00 0.10 0.00 0.00 66.02 63.48 2qt1 s SER 173 CO 0.56 -1.94 1.76 -0.08 0.98 0.00 0.00 173.24 174.53 2qt1 h GLU 174 N -1.06 0.41 -0.70 4.02 4.81 -1.95 0.26 114.58 120.36 2qt1 h GLU 174 Ca -0.44 -0.02 -0.05 0.00 -0.13 0.00 0.00 59.36 58.72 2qt1 h GLU 174 Cb 1.23 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 30.49 2qt1 h GLU 174 CO 0.53 0.27 0.25 1.49 -0.73 0.00 0.00 179.01 180.81 2qt1 h GLU 175 N 0.42 1.06 -0.36 1.92 4.57 -1.99 -0.07 114.58 120.14 2qt1 h GLU 175 Ca 0.23 -0.21 -0.01 0.00 -1.18 0.00 0.00 59.36 58.19 2qt1 h GLU 175 Cb 0.20 -0.16 -0.02 0.00 -0.16 0.00 0.00 28.75 28.62 2qt1 h GLU 175 CO -0.20 0.90 0.19 0.22 -1.18 0.00 0.00 179.01 178.94 2qt1 h ASP 176 N 1.01 0.46 -0.53 1.04 1.82 -1.73 -1.01 116.42 117.48 2qt1 h ASP 176 Ca 0.23 -0.10 -0.09 0.00 -0.39 0.00 0.00 57.03 56.68 2qt1 h ASP 176 Cb 0.26 -0.12 -0.02 0.00 0.68 0.00 0.00 39.33 40.13 2qt1 h ASP 176 CO -0.01 0.43 -0.00 -0.07 -1.61 0.00 0.00 179.24 177.97 2qt1 h LEU 177 N 0.46 0.91 -0.11 2.28 3.38 -0.76 -0.96 115.31 120.51 2qt1 h LEU 177 Ca 0.13 -0.31 0.02 0.00 0.09 0.00 0.00 57.88 57.81 2qt1 h LEU 177 Cb 0.08 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.56 2qt1 h LEU 177 CO -0.02 1.00 -0.05 0.15 0.09 0.00 0.00 178.44 179.61 2qt1 h PHE 178 N 0.80 -0.11 -0.71 1.13 3.57 -0.73 -1.29 116.94 119.61 2qt1 h PHE 178 Ca 0.15 0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.60 2qt1 h PHE 178 Cb 0.53 0.06 -0.03 0.00 2.79 0.00 0.00 35.95 39.31 2qt1 h PHE 178 CO 0.04 -0.08 0.23 -0.07 -2.23 0.00 0.00 178.31 176.20 2qt1 h LEU 179 N -0.04 1.02 -0.25 0.59 3.38 -0.99 0.16 115.31 119.19 2qt1 h LEU 179 Ca 0.06 -0.20 0.01 0.00 0.09 0.00 0.00 57.88 57.83 2qt1 h LEU 179 Cb 0.12 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 2qt1 h LEU 179 CO -0.13 0.96 0.15 -0.61 0.09 0.00 0.00 178.44 178.89 2qt1 h GLN 180 N 1.04 0.30 -0.31 1.13 4.15 -0.78 -0.39 115.11 120.24 2qt1 h GLN 180 Ca 0.23 -0.02 -0.12 0.00 0.77 0.00 0.00 58.65 59.52 2qt1 h GLN 180 Cb 0.29 -0.07 -0.01 0.00 0.21 0.00 0.00 27.48 27.91 2qt1 h GLN 180 CO -0.01 0.20 -0.26 0.28 -1.93 0.00 0.00 178.83 177.11 2qt1 h VAL 181 N 0.31 1.30 -0.67 2.39 2.07 -1.02 -2.40 116.25 118.23 2qt1 h VAL 181 Ca 0.09 -1.41 -0.01 0.00 0.82 0.00 0.00 66.70 66.19 2qt1 h VAL 181 Cb -0.01 1.51 -0.03 0.00 -1.52 0.00 0.00 31.29 31.23 2qt1 h VAL 181 CO -0.04 0.46 0.37 0.22 0.02 0.00 0.00 177.57 178.60 2qt1 h TYR 182 N 0.49 0.91 -0.88 1.57 3.20 -0.57 0.41 116.97 122.09 2qt1 h TYR 182 Ca 0.06 -0.02 0.05 0.00 3.14 0.00 0.00 58.73 61.96 2qt1 h TYR 182 Cb 0.82 -0.29 -0.05 0.00 1.54 0.00 0.00 36.73 38.74 2qt1 h TYR 182 CO 0.07 0.64 0.57 0.93 -1.64 0.00 0.00 178.16 178.73 2qt1 h GLU 183 N 0.91 1.00 -0.05 1.82 5.08 -1.00 -1.20 114.58 121.15 2qt1 h GLU 183 Ca 0.24 -0.06 -0.03 0.00 -1.00 0.00 0.00 59.36 58.51 2qt1 h GLU 183 Cb 0.02 -0.23 0.00 0.00 0.50 0.00 0.00 28.75 29.05 2qt1 h GLU 183 CO -0.04 0.66 -0.08 0.22 -1.00 0.00 0.00 179.01 178.77 2qt1 h ASP 184 N 1.03 0.15 -0.58 1.42 3.58 -0.78 -3.35 116.42 117.90 2qt1 h ASP 184 Ca 0.36 -0.55 -0.08 0.00 0.42 0.00 0.00 57.03 57.18 2qt1 h ASP 184 Cb 0.12 -0.04 -0.02 0.00 1.72 0.00 0.00 39.33 41.11 2qt1 h ASP 184 CO -0.12 0.68 0.05 0.25 -2.88 0.00 0.00 179.24 177.22 2qt1 h LEU 185 N -0.37 0.97 -0.60 2.28 5.85 0.06 -2.64 115.31 120.86 2qt1 h LEU 185 Ca 0.00 -0.24 0.00 0.00 0.84 0.00 0.00 57.88 58.48 2qt1 h LEU 185 Cb 0.65 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 41.42 2qt1 h LEU 185 CO 0.02 1.00 0.00 2.30 -0.34 0.00 0.00 178.44 181.42 2qt1 n ILE 186 N -4.20 0.80 0.87 4.05 -5.35 -0.48 -0.10 119.36 114.95 2qt1 n ILE 186 Ca 0.04 0.17 0.13 0.00 -0.27 0.00 0.00 62.75 62.82 2qt1 n ILE 186 Cb 0.31 -1.09 0.37 0.00 -1.74 0.00 0.00 39.64 37.49 2qt1 n ILE 186 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2qt1 n GLN 187 N -2.22 0.09 -0.01 6.28 6.02 -1.00 -4.16 117.38 122.39 2qt1 n GLN 187 Ca 0.03 0.04 0.08 0.00 -0.01 0.00 0.00 57.00 57.14 2qt1 n GLN 187 Cb 0.25 -1.58 -0.13 0.00 1.02 0.00 0.00 30.24 29.81 2qt1 n GLN 187 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.06 174.14 2qt1 n GLU 188 N -1.72 0.55 0.00 -1.09 2.13 0.86 -5.14 120.64 116.24 2qt1 n GLU 188 Ca 0.06 -0.15 0.11 0.00 0.66 0.00 0.00 57.16 57.84 2qt1 n GLU 188 Cb 0.37 -1.39 0.65 0.00 0.27 0.00 0.00 31.44 31.34 2qt1 n GLU 188 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00