#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1m16 n PHE 1 N 0.00 1.57 -2.95 -1.40 7.35 -1.26 -5.02 117.46 115.76 1m16 n PHE 1 Ca 0.00 -1.93 -0.42 0.00 -0.76 0.00 0.00 57.45 54.34 1m16 n PHE 1 Cb 0.00 -0.27 -0.05 0.00 0.35 0.00 0.00 39.48 39.52 1m16 n PHE 1 CO 0.00 0.00 0.00 -0.80 -0.76 0.00 0.00 176.76 175.20 1m16 s ASN 2 N -3.48 6.73 0.11 -2.13 0.01 -1.26 -5.04 114.94 109.88 1m16 s ASN 2 Ca 0.38 0.86 0.04 0.00 -0.71 0.00 0.00 52.86 53.42 1m16 s ASN 2 Cb 0.37 -2.41 -0.04 0.00 0.41 0.00 0.00 41.25 39.58 1m16 s ASN 2 CO -0.03 -0.52 0.09 -0.76 -1.51 0.00 0.00 177.10 174.38 1m16 s LEU 3 N 2.81 3.78 0.61 0.60 1.43 -1.26 -0.62 118.68 126.03 1m16 s LEU 3 Ca 0.32 -0.06 -0.17 0.00 -1.03 0.00 0.00 54.13 53.19 1m16 s LEU 3 Cb -0.15 -2.44 -0.02 0.00 0.03 0.00 0.00 46.19 43.61 1m16 s LEU 3 CO 0.09 0.14 1.14 -2.16 0.23 0.00 0.00 176.35 175.80 1m16 s PRO 4 N -2.60 2.95 0.00 1.29 0.05 -1.26 -4.65 135.00 130.78 1m16 s PRO 4 Ca 0.29 1.59 0.29 0.00 0.05 0.00 0.00 61.00 63.22 1m16 s PRO 4 Cb -0.11 -1.95 1.17 0.00 0.05 0.00 0.00 34.50 33.66 1m16 s PRO 4 CO 0.22 -1.17 1.85 -0.35 0.05 0.00 0.00 177.00 177.61 1m16 n PRO 5 N -1.91 0.26 -0.45 0.56 -0.04 -1.26 -4.91 135.00 127.25 1m16 n PRO 5 Ca 0.12 -0.06 -0.10 0.00 -0.04 0.00 0.00 63.50 63.42 1m16 n PRO 5 Cb 0.51 -1.50 0.08 0.00 -0.04 0.00 0.00 33.50 32.55 1m16 n PRO 5 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1m16 n GLY 6 N 1.40 -2.13 3.26 0.55 0.00 -1.26 -5.11 105.19 101.90 1m16 n GLY 6 Ca 0.10 -1.54 -0.15 0.00 0.00 0.00 0.00 46.02 44.44 1m16 n GLY 6 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1m16 s ASN 7 N -2.55 0.73 -0.20 1.61 2.20 -1.26 -5.07 114.94 110.40 1m16 s ASN 7 Ca 0.24 -1.51 0.15 0.00 -0.94 0.00 0.00 52.86 50.81 1m16 s ASN 7 Cb -0.02 0.46 0.67 0.00 -2.00 0.00 0.00 41.25 40.37 1m16 s ASN 7 CO 0.18 -0.95 1.58 -1.22 -2.94 0.00 0.00 177.10 173.75 1m16 n TYR 8 N -0.41 1.49 -0.03 1.54 4.01 -1.26 -4.68 117.16 117.81 1m16 n TYR 8 Ca 0.04 -0.80 -0.09 0.00 -0.16 0.00 0.00 57.90 56.90 1m16 n TYR 8 Cb 0.64 -0.40 -0.03 0.00 -0.31 0.00 0.00 39.34 39.24 1m16 n TYR 8 CO 0.00 0.00 0.00 0.87 -0.46 0.00 0.00 176.86 177.27 1m16 h LYS 9 N 2.90 -0.01 -6.07 -0.72 6.56 -1.97 -3.44 116.57 113.82 1m16 h LYS 9 Ca 0.00 0.00 -0.61 0.00 -1.06 0.00 0.00 60.65 58.98 1m16 h LYS 9 Cb 1.69 0.00 -0.13 0.00 -0.57 0.00 0.00 32.23 33.22 1m16 h LYS 9 CO 0.35 -0.00 -0.71 -1.59 -2.06 0.00 0.00 179.45 175.44 1m16 s LYS 10 N -6.20 1.80 0.95 3.15 0.00 -1.26 -5.11 119.74 113.06 1m16 s LYS 10 Ca -0.13 -1.83 -0.12 0.00 0.00 0.00 0.00 55.97 53.89 1m16 s LYS 10 Cb 0.10 -1.77 0.16 0.00 0.00 0.00 0.00 37.83 36.32 1m16 s LYS 10 CO 0.68 0.23 1.09 -1.25 0.00 0.00 0.00 175.35 176.10 1m16 s PRO 11 N -3.58 0.84 0.23 1.78 0.04 -1.26 -4.78 135.00 128.27 1m16 s PRO 11 Ca 0.32 0.87 -0.09 0.00 0.04 0.00 0.00 61.00 62.13 1m16 s PRO 11 Cb -0.01 -1.76 -0.01 0.00 0.04 0.00 0.00 34.50 32.76 1m16 s PRO 11 CO 0.16 -2.54 0.37 0.15 0.04 0.00 0.00 177.00 175.19 1m16 s LYS 12 N -4.84 1.43 -0.08 4.56 -0.14 0.13 -4.16 119.74 116.64 1m16 s LYS 12 Ca 0.65 -1.35 -0.03 0.00 -1.36 0.00 0.00 55.97 53.88 1m16 s LYS 12 Cb -0.19 0.41 -0.04 0.00 -1.68 0.00 0.00 37.83 36.33 1m16 s LYS 12 CO 0.58 -0.56 0.05 -0.51 -0.76 0.00 0.00 175.35 174.15 1m16 s LEU 13 N -3.05 3.82 -0.61 3.17 1.43 0.11 -0.55 118.68 123.00 1m16 s LEU 13 Ca 0.27 0.22 -0.08 0.00 -1.03 0.00 0.00 54.13 53.51 1m16 s LEU 13 Cb 0.02 -1.95 0.16 0.00 0.03 0.00 0.00 46.19 44.44 1m16 s LEU 13 CO 0.09 0.37 0.48 -0.76 0.23 0.00 0.00 176.35 176.76 1m16 s LEU 14 N -1.06 5.76 -0.14 1.79 1.43 -1.26 -0.40 118.68 124.80 1m16 s LEU 14 Ca 0.15 -2.46 -0.28 0.00 -1.03 0.00 0.00 54.13 50.52 1m16 s LEU 14 Cb -0.12 -1.99 -0.01 0.00 0.03 0.00 0.00 46.19 44.10 1m16 s LEU 14 CO 0.05 -0.54 0.94 -0.47 0.23 0.00 0.00 176.35 176.56 1m16 s TYR 15 N 0.53 3.47 -0.32 0.29 5.04 0.22 -1.08 117.35 125.49 1m16 s TYR 15 Ca 0.13 1.46 -0.17 0.00 -2.44 0.00 0.00 57.07 56.05 1m16 s TYR 15 Cb -0.20 -3.12 -0.02 0.00 0.35 0.00 0.00 41.96 38.97 1m16 s TYR 15 CO -0.04 -0.24 0.45 0.00 -1.34 0.00 0.00 175.55 174.38 1m16 h SER 17 N 8.34 0.89 -0.07 0.00 0.87 -1.68 0.82 113.55 122.73 1m16 h SER 17 Ca -0.29 0.05 0.02 0.00 -1.23 0.00 0.00 61.79 60.34 1m16 h SER 17 Cb 1.14 -0.13 -0.04 0.00 -0.44 0.00 0.00 62.40 62.93 1m16 h SER 17 CO 0.72 0.46 -0.38 -1.13 -0.53 0.00 0.00 176.83 175.98 1m16 h ASN 18 N 0.95 -1.20 -0.02 6.23 -1.24 -1.79 -3.31 115.58 115.20 1m16 h ASN 18 Ca 0.50 0.14 0.00 0.00 0.71 0.00 0.00 56.30 57.65 1m16 h ASN 18 Cb 0.54 0.46 0.00 0.00 0.73 0.00 0.00 38.32 40.05 1m16 h ASN 18 CO -0.27 -0.35 0.00 0.61 -1.29 0.00 0.00 177.43 176.14 1m16 n GLY 19 N -1.31 -0.63 1.96 1.57 0.00 -1.21 -4.81 105.19 100.75 1m16 n GLY 19 Ca -0.05 -0.19 -0.01 0.00 0.00 0.00 0.00 46.02 45.77 1m16 n GLY 19 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1m16 n GLY 20 N 0.35 0.41 3.89 -0.02 0.00 0.27 -5.02 105.19 105.07 1m16 n GLY 20 Ca 0.04 -0.79 -0.33 0.00 0.00 0.00 0.00 46.02 44.94 1m16 n GLY 20 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1m16 s HIS 21 N -2.24 3.49 -0.10 1.61 3.76 -1.14 -4.54 115.29 116.14 1m16 s HIS 21 Ca 0.01 0.30 -0.14 0.00 -0.15 0.00 0.00 55.06 55.08 1m16 s HIS 21 Cb -0.00 -1.79 -0.05 0.00 1.11 0.00 0.00 32.58 31.85 1m16 s HIS 21 CO 0.01 0.62 0.33 -0.06 -0.85 0.00 0.00 174.74 174.78 1m16 s PHE 22 N -1.35 3.57 0.37 1.40 0.08 -0.28 0.83 117.98 122.60 1m16 s PHE 22 Ca 0.29 0.74 -0.28 0.00 0.12 0.00 0.00 56.93 57.80 1m16 s PHE 22 Cb -0.13 -2.29 -0.11 0.00 -0.57 0.00 0.00 43.02 39.93 1m16 s PHE 22 CO 0.20 0.44 1.47 -1.17 -0.10 0.00 0.00 175.22 176.06 1m16 s LEU 23 N -0.24 4.32 -0.03 -0.37 2.96 -0.24 -1.60 118.68 123.47 1m16 s LEU 23 Ca 0.20 3.02 -0.05 0.00 -0.22 0.00 0.00 54.13 57.07 1m16 s LEU 23 Cb -0.14 -3.67 0.01 0.00 0.50 0.00 0.00 46.19 42.88 1m16 s LEU 23 CO 0.08 -0.85 0.12 -0.60 -1.32 0.00 0.00 176.35 173.78 1m16 s ARG 24 N -2.08 0.23 -0.24 1.98 3.52 0.39 -4.47 118.95 118.29 1m16 s ARG 24 Ca 0.53 0.02 0.02 0.00 -0.13 0.00 0.00 55.73 56.16 1m16 s ARG 24 Cb -0.46 0.10 0.06 0.00 -1.56 0.00 0.00 34.95 33.09 1m16 s ARG 24 CO 0.62 -0.04 -0.08 0.42 -0.81 0.00 0.00 175.30 175.41 1m16 s ILE 25 N -0.31 1.82 0.63 4.11 1.01 -1.04 -1.62 121.20 125.81 1m16 s ILE 25 Ca -0.04 -1.39 -0.13 0.00 0.00 0.00 0.00 60.65 59.09 1m16 s ILE 25 Cb -0.03 -2.01 -0.02 0.00 0.01 0.00 0.00 42.46 40.42 1m16 s ILE 25 CO 0.00 -0.05 1.05 -0.76 0.00 0.00 0.00 174.94 175.18 1m16 s LEU 26 N 1.26 3.33 0.52 2.97 1.43 0.11 -4.85 118.68 123.46 1m16 s LEU 26 Ca -0.07 1.67 0.29 0.00 -1.03 0.00 0.00 54.13 54.98 1m16 s LEU 26 Cb -0.19 -4.51 1.42 0.00 0.03 0.00 0.00 46.19 42.94 1m16 s LEU 26 CO -0.06 -1.20 1.91 -0.65 0.23 0.00 0.00 176.35 176.58 1m16 h PRO 27 N -0.08 0.04 0.00 1.29 0.11 -1.99 0.11 132.00 131.48 1m16 h PRO 27 Ca -0.45 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1m16 h PRO 27 Cb 1.21 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1m16 h PRO 27 CO 0.58 0.03 0.00 -0.40 -0.21 0.00 0.00 178.00 178.00 1m16 n ASP 28 N -4.32 0.00 0.00 -2.05 5.75 -1.26 -4.82 116.55 109.85 1m16 n ASP 28 Ca 0.17 0.10 0.00 0.00 -0.01 0.00 0.00 54.79 55.04 1m16 n ASP 28 Cb 0.85 -0.33 0.00 0.00 -1.03 0.00 0.00 41.12 40.61 1m16 n ASP 28 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1m16 n GLY 29 N 0.58 0.65 3.73 6.12 0.00 0.37 -4.97 105.19 111.67 1m16 n GLY 29 Ca 0.09 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.70 1m16 n GLY 29 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1m16 s THR 30 N -2.00 3.84 -0.12 2.61 2.01 -1.23 -1.76 115.64 118.99 1m16 s THR 30 Ca 0.00 1.46 -0.01 0.00 0.31 0.00 0.00 61.69 63.45 1m16 s THR 30 Cb 0.00 -3.93 -0.02 0.00 0.01 0.00 0.00 72.50 68.56 1m16 s THR 30 CO 0.00 0.19 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.33 1m16 s VAL 31 N 0.35 3.35 0.00 3.82 1.01 -1.26 0.09 120.40 127.76 1m16 s VAL 31 Ca 0.54 -0.57 0.00 0.00 0.00 0.00 0.00 61.98 61.96 1m16 s VAL 31 Cb -0.30 -2.41 0.00 0.00 0.00 0.00 0.00 36.38 33.66 1m16 s VAL 31 CO 0.33 0.53 0.00 -0.90 0.00 0.00 0.00 175.10 175.06 1m16 n ASP 32 N 3.25 0.00 -3.92 3.32 5.75 -0.64 -4.42 116.55 119.90 1m16 n ASP 32 Ca -0.18 0.00 -0.12 0.00 -0.01 0.00 0.00 54.79 54.48 1m16 n ASP 32 Cb 0.53 0.00 -0.13 0.00 -1.03 0.00 0.00 41.12 40.48 1m16 n ASP 32 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 1m16 s GLY 33 N -0.06 0.12 0.01 6.12 0.00 0.05 -0.46 107.32 113.10 1m16 s GLY 33 Ca 0.00 -0.19 0.03 0.00 0.00 0.00 0.00 44.72 44.56 1m16 s GLY 33 CO 0.00 -0.19 -0.08 -1.08 0.00 0.00 0.00 173.10 171.74 1m16 s THR 34 N -0.35 0.65 -1.77 0.90 -1.32 -0.63 -4.70 115.64 108.42 1m16 s THR 34 Ca -0.03 -0.51 0.30 0.00 -1.21 0.00 0.00 61.69 60.24 1m16 s THR 34 Cb -0.03 -0.57 0.61 0.00 -1.51 0.00 0.00 72.50 71.00 1m16 s THR 34 CO -0.00 0.07 2.00 0.54 -2.21 0.00 0.00 174.62 175.01 1m16 n ARG 35 N 2.57 0.80 -2.57 7.08 1.74 -1.26 -1.12 116.66 123.90 1m16 n ARG 35 Ca -0.15 -0.18 -0.42 0.00 -0.77 0.00 0.00 57.85 56.33 1m16 n ARG 35 Cb 0.57 -1.50 -0.03 0.00 -1.02 0.00 0.00 32.46 30.48 1m16 n ARG 35 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1m16 s ASP 36 N -2.32 6.29 0.35 0.55 2.15 -1.26 -4.88 116.67 117.55 1m16 s ASP 36 Ca 0.35 -0.19 0.26 0.00 0.43 0.00 0.00 52.55 53.40 1m16 s ASP 36 Cb 0.21 -2.56 1.18 0.00 -0.30 0.00 0.00 42.92 41.45 1m16 s ASP 36 CO 0.43 -1.67 1.79 0.08 -0.17 0.00 0.00 175.17 175.63 1m16 h ARG 37 N 9.80 0.00 -0.13 4.34 0.11 -2.00 -2.03 114.38 124.47 1m16 h ARG 37 Ca -0.27 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.81 1m16 h ARG 37 Cb 1.05 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.13 1m16 h ARG 37 CO 1.24 0.00 0.00 -1.13 0.10 0.00 0.00 179.97 180.18 1m16 n SER 38 N -2.45 1.74 -4.76 0.08 3.41 -1.26 -4.91 113.62 105.46 1m16 n SER 38 Ca 0.01 -1.67 -0.38 0.00 -0.26 0.00 0.00 58.87 56.57 1m16 n SER 38 Cb 0.19 -0.08 0.02 0.00 -0.26 0.00 0.00 64.21 64.08 1m16 n SER 38 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1m16 s ASP 39 N -1.70 5.75 0.00 4.04 -1.08 -0.77 -4.94 116.67 117.97 1m16 s ASP 39 Ca 0.34 2.58 0.24 0.00 -0.52 0.00 0.00 52.55 55.19 1m16 s ASP 39 Cb 0.19 -2.62 0.46 0.00 -1.46 0.00 0.00 42.92 39.49 1m16 s ASP 39 CO 0.29 -1.22 1.41 0.00 0.52 0.00 0.00 175.17 176.17 1m16 n GLN 40 N -0.67 2.21 -0.66 4.34 1.13 -1.26 -4.22 117.38 118.25 1m16 n GLN 40 Ca 0.08 -1.78 0.06 0.00 -1.94 0.00 0.00 57.00 53.42 1m16 n GLN 40 Cb 0.46 -1.47 0.17 0.00 0.11 0.00 0.00 30.24 29.50 1m16 n GLN 40 CO 0.00 0.00 0.00 0.72 -1.44 0.00 0.00 177.06 176.34 1m16 n HIS 41 N 1.08 0.00 0.12 1.08 8.25 -1.26 -4.64 115.22 119.85 1m16 n HIS 41 Ca 0.17 -1.25 0.04 0.00 -0.26 0.00 0.00 57.72 56.42 1m16 n HIS 41 Cb 0.53 -0.22 0.07 0.00 1.12 0.00 0.00 29.99 31.49 1m16 n HIS 41 CO 0.00 0.00 0.00 0.44 0.64 0.00 0.00 176.34 177.42 1m16 n ILE 42 N -0.89 0.45 -3.51 1.59 -5.35 -1.26 -2.50 119.36 107.89 1m16 n ILE 42 Ca 0.16 -0.73 -0.37 0.00 -0.27 0.00 0.00 62.75 61.55 1m16 n ILE 42 Cb 0.75 0.86 -0.07 0.00 -1.74 0.00 0.00 39.64 39.44 1m16 n ILE 42 CO 0.00 0.00 0.00 -1.10 -1.76 0.00 0.00 176.55 173.69 1m16 s GLN 43 N -0.82 4.24 0.09 6.28 1.11 -1.26 -4.33 119.66 124.98 1m16 s GLN 43 Ca 0.13 0.11 0.07 0.00 0.01 0.00 0.00 55.36 55.67 1m16 s GLN 43 Cb 0.08 -3.45 -0.03 0.00 -1.01 0.00 0.00 33.01 28.59 1m16 s GLN 43 CO 0.11 0.18 -0.18 -0.06 0.01 0.00 0.00 175.29 175.35 1m16 s PHE 44 N 0.63 1.51 -0.24 0.91 0.08 0.29 -2.10 117.98 119.07 1m16 s PHE 44 Ca 0.17 -0.44 -0.03 0.00 0.12 0.00 0.00 56.93 56.74 1m16 s PHE 44 Cb -0.13 -0.83 0.01 0.00 -0.57 0.00 0.00 43.02 41.49 1m16 s PHE 44 CO 0.05 0.14 -0.04 -1.14 -0.10 0.00 0.00 175.22 174.12 1m16 s GLN 45 N -1.87 3.13 0.12 0.44 2.00 0.13 0.23 119.66 123.83 1m16 s GLN 45 Ca 0.03 -0.79 -0.05 0.00 -2.00 0.00 0.00 55.36 52.55 1m16 s GLN 45 Cb -0.10 -3.02 -0.05 0.00 0.80 0.00 0.00 33.01 30.64 1m16 s GLN 45 CO 0.03 -0.30 0.35 -0.51 -0.50 0.00 0.00 175.29 174.36 1m16 s LEU 46 N 1.42 4.29 0.01 3.68 1.02 -1.26 -1.54 118.68 126.30 1m16 s LEU 46 Ca 0.03 0.55 -0.04 0.00 0.02 0.00 0.00 54.13 54.70 1m16 s LEU 46 Cb -0.15 -3.20 -0.01 0.00 0.02 0.00 0.00 46.19 42.85 1m16 s LEU 46 CO -0.04 0.09 0.06 -0.94 0.02 0.00 0.00 176.35 175.55 1m16 s SER 47 N -2.35 0.13 -0.27 2.29 1.04 -0.81 -4.79 113.70 108.94 1m16 s SER 47 Ca 0.39 -0.37 -0.08 0.00 0.48 0.00 0.00 55.95 56.37 1m16 s SER 47 Cb -0.12 0.16 -0.02 0.00 0.10 0.00 0.00 66.02 66.14 1m16 s SER 47 CO 0.24 -0.36 0.09 0.00 0.98 0.00 0.00 173.24 174.19 1m16 s ALA 48 N -1.57 3.18 0.02 5.32 0.00 -1.26 -1.07 121.76 126.38 1m16 s ALA 48 Ca -0.14 -1.21 -0.21 0.00 0.00 0.00 0.00 51.96 50.41 1m16 s ALA 48 Cb -0.08 -2.15 -0.18 0.00 0.00 0.00 0.00 23.12 20.71 1m16 s ALA 48 CO -0.00 -0.61 1.23 1.49 0.00 0.00 0.00 175.76 177.87 1m16 h GLU 49 N 8.26 0.35 -4.04 0.00 4.57 -1.22 -3.47 114.58 119.03 1m16 h GLU 49 Ca -0.36 -0.26 -0.13 0.00 -1.18 0.00 0.00 59.36 57.43 1m16 h GLU 49 Cb 1.16 0.04 -0.13 0.00 -0.16 0.00 0.00 28.75 29.67 1m16 h GLU 49 CO 0.59 0.88 -0.39 -1.12 -1.18 0.00 0.00 179.01 177.79 1m16 s SER 50 N -6.33 0.08 -0.07 1.04 0.01 -1.20 -5.02 113.70 102.20 1m16 s SER 50 Ca -0.14 -1.02 -0.31 0.00 1.31 0.00 0.00 55.95 55.79 1m16 s SER 50 Cb 0.04 0.43 -0.09 0.00 0.21 0.00 0.00 66.02 66.61 1m16 s SER 50 CO 0.77 -0.90 2.02 0.52 0.41 0.00 0.00 173.24 176.06 1m16 n VAL 51 N -0.23 0.61 -0.07 3.43 0.31 -1.26 -1.03 118.33 120.08 1m16 n VAL 51 Ca -0.05 -0.21 0.00 0.00 -0.01 0.00 0.00 64.34 64.08 1m16 n VAL 51 Cb 0.63 -2.23 0.00 0.00 -0.91 0.00 0.00 33.84 31.33 1m16 n VAL 51 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1m16 n GLY 52 N 4.88 1.18 3.40 2.92 0.00 -1.26 -5.04 105.19 111.26 1m16 n GLY 52 Ca 0.24 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.91 1m16 n GLY 52 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1m16 s GLU 53 N -0.58 3.53 0.32 1.61 2.02 -0.20 -0.57 118.70 124.83 1m16 s GLU 53 Ca 0.00 -0.56 0.05 0.00 0.02 0.00 0.00 54.97 54.48 1m16 s GLU 53 Cb 0.00 -3.06 -0.06 0.00 0.10 0.00 0.00 34.13 31.11 1m16 s GLU 53 CO 0.00 -0.07 0.02 0.14 0.02 0.00 0.00 175.26 175.37 1m16 s VAL 54 N 1.20 1.42 -0.06 2.63 -7.23 0.34 -0.64 120.40 118.07 1m16 s VAL 54 Ca 0.03 -2.03 0.04 0.00 -1.81 0.00 0.00 61.98 58.21 1m16 s VAL 54 Cb -0.15 -2.73 -0.02 0.00 0.56 0.00 0.00 36.38 34.04 1m16 s VAL 54 CO 0.00 -0.08 -0.17 -0.31 -0.31 0.00 0.00 175.10 174.23 1m16 s TYR 55 N -3.14 2.63 -0.42 2.82 2.02 -0.23 -1.71 117.35 119.32 1m16 s TYR 55 Ca 0.34 -0.37 -0.00 0.00 -0.37 0.00 0.00 57.07 56.67 1m16 s TYR 55 Cb 0.08 -1.65 0.11 0.00 -0.40 0.00 0.00 41.96 40.10 1m16 s TYR 55 CO 0.15 0.02 0.19 0.42 -1.57 0.00 0.00 175.55 174.76 1m16 s ILE 56 N -0.43 2.97 -0.15 2.71 1.01 -1.26 -1.93 121.20 124.12 1m16 s ILE 56 Ca 0.05 -2.35 -0.05 0.00 0.00 0.00 0.00 60.65 58.29 1m16 s ILE 56 Cb -0.12 -3.07 -0.04 0.00 0.01 0.00 0.00 42.46 39.25 1m16 s ILE 56 CO 0.02 -0.69 0.04 -0.75 0.00 0.00 0.00 174.94 173.55 1m16 s LYS 57 N 0.81 3.63 -0.21 2.79 2.20 -0.59 -0.24 119.74 128.13 1m16 s LYS 57 Ca 0.11 -0.36 -0.29 0.00 -0.36 0.00 0.00 55.97 55.06 1m16 s LYS 57 Cb -0.22 -3.06 -0.01 0.00 -1.51 0.00 0.00 37.83 33.04 1m16 s LYS 57 CO -0.05 0.43 1.24 0.45 -0.36 0.00 0.00 175.35 177.06 1m16 s SER 58 N -0.10 6.90 0.44 1.43 0.15 0.93 0.18 113.70 123.64 1m16 s SER 58 Ca 0.06 1.53 0.14 0.00 0.70 0.00 0.00 55.95 58.38 1m16 s SER 58 Cb -0.12 -2.54 0.98 0.00 -1.71 0.00 0.00 66.02 62.63 1m16 s SER 58 CO 0.01 -0.83 1.98 0.71 1.20 0.00 0.00 173.24 176.32 1m16 h THR 59 N 5.60 1.14 0.04 6.45 1.35 -1.76 0.54 112.91 126.28 1m16 h THR 59 Ca -0.25 -0.67 -0.16 0.00 -0.55 0.00 0.00 66.41 64.78 1m16 h THR 59 Cb 1.10 1.36 0.01 0.00 -1.73 0.00 0.00 68.15 68.89 1m16 h THR 59 CO 0.99 0.19 -0.63 -0.08 -0.25 0.00 0.00 175.52 175.74 1m16 h GLU 60 N 0.00 0.35 0.00 4.72 4.57 -1.83 -3.38 114.58 119.02 1m16 h GLU 60 Ca -0.00 -0.44 0.00 0.00 -1.18 0.00 0.00 59.36 57.74 1m16 h GLU 60 Cb 0.35 0.14 0.00 0.00 -0.16 0.00 0.00 28.75 29.07 1m16 h GLU 60 CO 0.03 1.13 -0.73 0.25 -1.18 0.00 0.00 179.01 178.51 1m16 n THR 61 N -4.22 0.00 -0.96 0.32 -2.24 -1.20 -4.98 114.28 101.00 1m16 n THR 61 Ca -0.11 -0.24 0.00 0.00 -2.27 0.00 0.00 64.05 61.43 1m16 n THR 61 Cb 0.70 0.85 0.00 0.00 -2.10 0.00 0.00 70.33 69.78 1m16 n THR 61 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1m16 n GLY 62 N 1.38 0.57 3.78 3.38 0.00 0.19 -5.01 105.19 109.48 1m16 n GLY 62 Ca 0.01 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.66 1m16 n GLY 62 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1m16 s GLN 63 N -0.30 4.26 -0.17 1.61 -0.21 -1.24 -4.64 119.66 118.96 1m16 s GLN 63 Ca 0.00 1.59 -0.13 0.00 0.02 0.00 0.00 55.36 56.85 1m16 s GLN 63 Cb 0.00 -2.69 -0.05 0.00 1.00 0.00 0.00 33.01 31.27 1m16 s GLN 63 CO 0.00 -0.07 0.25 0.71 -2.12 0.00 0.00 175.29 174.06 1m16 s TYR 64 N -1.53 3.44 0.27 0.91 1.51 0.60 -0.05 117.35 122.50 1m16 s TYR 64 Ca 0.55 0.52 -0.30 0.00 -1.01 0.00 0.00 57.07 56.82 1m16 s TYR 64 Cb -0.25 -2.30 -0.11 0.00 -0.11 0.00 0.00 41.96 39.19 1m16 s TYR 64 CO 0.31 0.24 1.58 -1.17 -1.11 0.00 0.00 175.55 175.39 1m16 s LEU 65 N 0.49 4.36 0.10 -1.29 2.96 0.67 -0.36 118.68 125.60 1m16 s LEU 65 Ca 0.14 2.88 -0.11 0.00 -0.22 0.00 0.00 54.13 56.82 1m16 s LEU 65 Cb -0.13 -3.63 0.01 0.00 0.50 0.00 0.00 46.19 42.95 1m16 s LEU 65 CO 0.02 -0.88 0.27 0.00 -1.32 0.00 0.00 176.35 174.44 1m16 s ALA 66 N 0.14 -0.48 -0.11 5.97 0.00 0.14 -4.43 121.76 123.00 1m16 s ALA 66 Ca 0.64 -0.42 -0.00 0.00 0.00 0.00 0.00 51.96 52.18 1m16 s ALA 66 Cb -0.47 0.56 0.02 0.00 0.00 0.00 0.00 23.12 23.24 1m16 s ALA 66 CO 0.45 -0.56 -0.08 1.41 0.00 0.00 0.00 175.76 176.98 1m16 s MET 67 N -3.84 1.58 1.07 0.00 1.75 -0.46 0.31 119.30 119.71 1m16 s MET 67 Ca 0.04 -0.28 -0.17 0.00 -1.25 0.00 0.00 55.69 54.03 1m16 s MET 67 Cb 0.04 -1.60 0.23 0.00 2.84 0.00 0.00 34.83 36.34 1m16 s MET 67 CO -0.11 -0.24 1.19 0.16 -0.65 0.00 0.00 175.02 175.36 1m16 s ASP 68 N 1.62 2.14 0.59 1.11 1.47 0.13 -4.79 116.67 118.93 1m16 s ASP 68 Ca 0.04 0.58 0.29 0.00 1.18 0.00 0.00 52.55 54.64 1m16 s ASP 68 Cb -0.13 -0.82 1.76 0.00 -0.34 0.00 0.00 42.92 43.39 1m16 s ASP 68 CO -0.07 -3.37 2.20 0.00 0.68 0.00 0.00 175.17 174.61 1m16 h THR 69 N -2.07 0.51 -0.63 2.11 1.03 -2.01 -0.97 112.91 110.88 1m16 h THR 69 Ca -0.46 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 65.94 1m16 h THR 69 Cb 1.28 0.95 0.00 0.00 -1.07 0.00 0.00 68.15 69.31 1m16 h THR 69 CO 0.41 0.00 0.00 0.47 -0.01 0.00 0.00 175.52 176.39 1m16 n ASP 70 N -3.84 4.22 0.00 0.00 8.00 -1.26 -4.93 116.55 118.74 1m16 n ASP 70 Ca -0.01 -2.25 0.00 0.00 0.71 0.00 0.00 54.79 53.24 1m16 n ASP 70 Cb 0.16 -0.50 0.00 0.00 -0.02 0.00 0.00 41.12 40.76 1m16 n ASP 70 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1m16 n GLY 71 N 1.20 0.71 3.69 0.44 0.00 -0.37 -4.66 105.19 106.21 1m16 n GLY 71 Ca 0.24 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.85 1m16 n GLY 71 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1m16 s LEU 72 N 0.00 4.25 -0.01 0.99 1.43 -1.26 -1.05 118.68 123.03 1m16 s LEU 72 Ca 0.00 1.14 -0.26 0.00 -1.03 0.00 0.00 54.13 53.97 1m16 s LEU 72 Cb 0.00 -3.10 -0.04 0.00 0.03 0.00 0.00 46.19 43.08 1m16 s LEU 72 CO 0.00 -0.22 0.82 -0.69 0.23 0.00 0.00 176.35 176.50 1m16 s VAL 73 N 1.34 4.88 0.24 -1.59 1.01 -1.26 0.18 120.40 125.20 1m16 s VAL 73 Ca 0.37 1.73 -0.08 0.00 0.00 0.00 0.00 61.98 64.00 1m16 s VAL 73 Cb -0.17 -4.17 -0.02 0.00 0.00 0.00 0.00 36.38 32.02 1m16 s VAL 73 CO 0.16 0.25 0.36 -0.72 0.00 0.00 0.00 175.10 175.15 1m16 s TYR 74 N 0.61 0.69 -0.26 5.22 1.13 0.15 -4.59 117.35 120.30 1m16 s TYR 74 Ca 0.43 -0.99 -0.13 0.00 -1.41 0.00 0.00 57.07 54.97 1m16 s TYR 74 Cb -0.20 -0.09 -0.04 0.00 -1.10 0.00 0.00 41.96 40.53 1m16 s TYR 74 CO 0.23 -0.88 0.28 0.20 -2.51 0.00 0.00 175.55 172.87 1m16 s GLY 75 N -3.08 1.94 -0.08 5.49 0.00 -0.72 -0.68 107.32 110.18 1m16 s GLY 75 Ca 0.29 -0.88 -0.08 0.00 0.00 0.00 0.00 44.72 44.05 1m16 s GLY 75 CO 0.11 0.76 0.20 -0.45 0.00 0.00 0.00 173.10 173.72 1m16 s SER 76 N 1.51 6.47 0.12 1.64 0.15 0.51 -4.79 113.70 119.30 1m16 s SER 76 Ca 0.12 0.55 -0.12 0.00 0.70 0.00 0.00 55.95 57.19 1m16 s SER 76 Cb -0.15 -2.10 -0.10 0.00 -1.71 0.00 0.00 66.02 61.96 1m16 s SER 76 CO 0.09 0.37 1.39 1.56 1.20 0.00 0.00 173.24 177.85 1m16 h GLN 77 N 4.75 0.85 -6.34 5.44 1.08 -1.91 0.17 115.11 119.15 1m16 h GLN 77 Ca -0.53 -0.56 -0.61 0.00 -1.45 0.00 0.00 58.65 55.50 1m16 h GLN 77 Cb 1.22 0.07 -0.14 0.00 -0.05 0.00 0.00 27.48 28.58 1m16 h GLN 77 CO 0.60 1.19 -0.74 0.95 -0.95 0.00 0.00 178.83 179.88 1m16 s THR 78 N -4.08 2.77 0.15 -0.54 -4.23 -1.26 -4.76 115.64 103.70 1m16 s THR 78 Ca -0.11 -2.10 -0.30 0.00 -1.18 0.00 0.00 61.69 58.00 1m16 s THR 78 Cb 0.10 -2.42 -0.07 0.00 1.34 0.00 0.00 72.50 71.44 1m16 s THR 78 CO 0.89 -0.28 1.04 -2.16 -0.54 0.00 0.00 174.62 173.57 1m16 s PRO 79 N -3.25 4.64 0.37 3.99 0.04 -1.26 -4.84 135.00 134.69 1m16 s PRO 79 Ca 0.27 1.61 -0.04 0.00 0.04 0.00 0.00 61.00 62.88 1m16 s PRO 79 Cb -0.07 -3.32 0.02 0.00 0.04 0.00 0.00 34.50 31.17 1m16 s PRO 79 CO 0.15 0.14 0.55 0.54 0.04 0.00 0.00 177.00 178.42 1m16 s ASN 80 N -0.09 0.89 0.61 6.66 2.20 -1.26 -5.03 114.94 118.92 1m16 s ASN 80 Ca 0.48 -1.49 0.32 0.00 -0.94 0.00 0.00 52.86 51.23 1m16 s ASN 80 Cb -0.27 0.72 1.90 0.00 -2.00 0.00 0.00 41.25 41.61 1m16 s ASN 80 CO 0.33 -1.42 2.24 1.05 -2.94 0.00 0.00 177.10 176.35 1m16 h GLU 81 N 2.05 0.00 -0.00 3.55 4.11 -1.99 -0.08 114.58 122.22 1m16 h GLU 81 Ca -0.29 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.14 1m16 h GLU 81 Cb 1.24 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.49 1m16 h GLU 81 CO 0.39 0.00 -0.02 0.39 0.07 0.00 0.00 179.01 179.84 1m16 n GLU 82 N -3.66 1.06 0.00 1.06 1.02 -1.26 -3.42 120.64 115.44 1m16 n GLU 82 Ca -0.02 -0.25 0.11 0.00 -0.02 0.00 0.00 57.16 56.98 1m16 n GLU 82 Cb 0.14 -1.49 -0.04 0.00 -0.02 0.00 0.00 31.44 30.03 1m16 n GLU 82 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1m16 s LEU 84 N -2.72 4.34 0.04 0.00 1.43 -1.22 -4.49 118.68 116.05 1m16 s LEU 84 Ca 0.14 1.15 0.06 0.00 -1.03 0.00 0.00 54.13 54.45 1m16 s LEU 84 Cb 0.17 -3.01 -0.02 0.00 0.03 0.00 0.00 46.19 43.36 1m16 s LEU 84 CO 0.71 -0.04 -0.18 -0.36 0.23 0.00 0.00 176.35 176.70 1m16 s PHE 85 N 0.50 1.60 -0.55 0.29 0.40 -0.69 -1.19 117.98 118.34 1m16 s PHE 85 Ca 0.35 -0.36 -0.23 0.00 -0.60 0.00 0.00 56.93 56.09 1m16 s PHE 85 Cb -0.18 -0.96 0.05 0.00 0.51 0.00 0.00 43.02 42.44 1m16 s PHE 85 CO 0.17 0.07 0.87 -0.51 0.70 0.00 0.00 175.22 176.52 1m16 s LEU 86 N -1.10 4.31 -0.31 -0.37 1.43 0.38 -0.50 118.68 122.52 1m16 s LEU 86 Ca 0.05 -0.51 -0.25 0.00 -1.03 0.00 0.00 54.13 52.40 1m16 s LEU 86 Cb -0.08 -2.72 0.00 0.00 0.03 0.00 0.00 46.19 43.42 1m16 s LEU 86 CO 0.01 -1.16 0.85 -0.70 0.23 0.00 0.00 176.35 175.58 1m16 s GLU 87 N 3.66 3.98 0.16 1.70 2.12 0.26 -2.11 118.70 128.47 1m16 s GLU 87 Ca 0.26 0.68 0.03 0.00 0.36 0.00 0.00 54.97 56.30 1m16 s GLU 87 Cb -0.14 -3.73 -0.05 0.00 0.26 0.00 0.00 34.13 30.47 1m16 s GLU 87 CO 0.17 -0.72 -0.05 1.03 -0.54 0.00 0.00 175.26 175.15 1m16 s ARG 88 N 3.09 1.06 0.38 4.30 1.81 -0.46 -4.72 118.95 124.42 1m16 s ARG 88 Ca 0.35 -1.48 -0.23 0.00 -1.72 0.00 0.00 55.73 52.65 1m16 s ARG 88 Cb -0.14 -0.43 -0.10 0.00 -0.45 0.00 0.00 34.95 33.83 1m16 s ARG 88 CO 0.13 -0.03 0.94 -1.17 -0.68 0.00 0.00 175.30 174.50 1m16 s LEU 89 N -3.16 4.12 -0.03 2.53 2.96 0.20 -0.48 118.68 124.83 1m16 s LEU 89 Ca 0.19 1.75 -0.01 0.00 -0.22 0.00 0.00 54.13 55.84 1m16 s LEU 89 Cb 0.05 -4.30 0.02 0.00 0.50 0.00 0.00 46.19 42.45 1m16 s LEU 89 CO 0.01 -0.23 0.06 -0.70 -1.32 0.00 0.00 176.35 174.18 1m16 s GLU 90 N -2.68 0.04 -1.45 1.98 2.56 0.23 -4.82 118.70 114.55 1m16 s GLU 90 Ca 0.57 0.16 -0.05 0.00 0.00 0.00 0.00 54.97 55.65 1m16 s GLU 90 Cb -0.13 -0.09 0.02 0.00 2.00 0.00 0.00 34.13 35.93 1m16 s GLU 90 CO 0.18 -0.08 0.44 0.39 -0.56 0.00 0.00 175.26 175.63 1m16 n GLU 91 N 3.58 -3.85 -3.17 4.30 1.02 -1.26 -0.48 120.64 120.78 1m16 n GLU 91 Ca -0.19 0.76 -0.21 0.00 -0.02 0.00 0.00 57.16 57.50 1m16 n GLU 91 Cb 0.55 -5.53 -0.00 0.00 -0.02 0.00 0.00 31.44 26.44 1m16 n GLU 91 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1m16 n ASN 92 N -2.33 -3.82 0.07 1.62 4.13 -1.26 -4.61 115.26 109.07 1m16 n ASN 92 Ca -0.10 -0.27 0.00 0.00 1.68 0.00 0.00 54.58 55.89 1m16 n ASN 92 Cb 0.60 -3.17 0.00 0.00 -1.54 0.00 0.00 39.78 35.67 1m16 n ASN 92 CO 0.00 0.00 0.00 1.57 0.28 0.00 0.00 177.26 179.11 1m16 n HIS 93 N -3.85 -3.02 -2.42 3.10 -0.00 -0.36 -5.16 115.22 103.51 1m16 n HIS 93 Ca -0.04 0.47 -0.24 0.00 -0.00 0.00 0.00 57.72 57.91 1m16 n HIS 93 Cb 0.56 1.51 0.05 0.00 -0.00 0.00 0.00 29.99 32.10 1m16 n HIS 93 CO 0.00 0.00 0.00 0.71 -0.00 0.00 0.00 176.34 177.05 1m16 s TYR 94 N -2.00 2.97 -0.09 1.57 2.02 0.37 -4.82 117.35 117.37 1m16 s TYR 94 Ca 0.00 0.32 -0.02 0.00 -0.37 0.00 0.00 57.07 57.00 1m16 s TYR 94 Cb 0.00 -2.93 -0.03 0.00 -0.40 0.00 0.00 41.96 38.60 1m16 s TYR 94 CO 0.00 -1.08 0.00 -0.80 -1.57 0.00 0.00 175.55 172.10 1m16 s ASN 95 N -4.44 5.26 0.11 2.29 -0.87 -0.30 0.73 114.94 117.73 1m16 s ASN 95 Ca 0.57 0.15 0.07 0.00 -1.57 0.00 0.00 52.86 52.08 1m16 s ASN 95 Cb -0.11 -1.50 -0.04 0.00 -0.02 0.00 0.00 41.25 39.59 1m16 s ASN 95 CO 0.42 0.37 -0.17 0.42 -2.57 0.00 0.00 177.10 175.58 1m16 s THR 96 N -0.85 1.49 -0.21 1.60 -4.23 0.37 -1.20 115.64 112.62 1m16 s THR 96 Ca 0.13 -1.61 -0.00 0.00 -1.18 0.00 0.00 61.69 59.03 1m16 s THR 96 Cb -0.11 -1.50 0.06 0.00 1.34 0.00 0.00 72.50 72.29 1m16 s THR 96 CO 0.02 -0.24 -0.03 -0.31 -0.54 0.00 0.00 174.62 173.52 1m16 s TYR 97 N -1.62 1.91 -0.19 3.99 1.51 -1.26 -1.35 117.35 120.34 1m16 s TYR 97 Ca 0.07 -1.38 -0.10 0.00 -1.01 0.00 0.00 57.07 54.65 1m16 s TYR 97 Cb -0.08 -1.39 -0.05 0.00 -0.11 0.00 0.00 41.96 40.34 1m16 s TYR 97 CO 0.04 -0.70 0.15 0.42 -1.11 0.00 0.00 175.55 174.35 1m16 s ILE 98 N 1.56 5.40 0.07 2.71 1.01 -0.90 -1.08 121.20 129.98 1m16 s ILE 98 Ca -0.03 0.24 -0.30 0.00 0.00 0.00 0.00 60.65 60.56 1m16 s ILE 98 Cb -0.18 -3.49 -0.09 0.00 0.01 0.00 0.00 42.46 38.72 1m16 s ILE 98 CO -0.07 0.45 1.90 -0.55 0.00 0.00 0.00 174.94 176.67 1m16 s SER 99 N 0.22 6.44 0.14 3.58 0.15 0.74 -0.47 113.70 124.50 1m16 s SER 99 Ca 0.10 2.70 -0.18 0.00 0.70 0.00 0.00 55.95 59.27 1m16 s SER 99 Cb -0.11 -2.55 -0.03 0.00 -1.71 0.00 0.00 66.02 61.62 1m16 s SER 99 CO -0.01 -1.03 1.79 0.50 1.20 0.00 0.00 173.24 175.69 1m16 h LYS 100 N 9.73 0.36 -0.90 5.44 3.64 -1.47 0.33 116.57 133.69 1m16 h LYS 100 Ca -0.48 -0.02 0.12 0.00 -1.27 0.00 0.00 60.65 59.00 1m16 h LYS 100 Cb 1.23 -0.08 -0.07 0.00 -0.41 0.00 0.00 32.23 32.90 1m16 h LYS 100 CO 0.94 0.24 0.58 -0.22 -2.27 0.00 0.00 179.45 178.72 1m16 h LYS 101 N 0.37 0.77 -0.21 1.90 1.63 -1.78 -2.43 116.57 116.83 1m16 h LYS 101 Ca 0.11 -0.05 -0.07 0.00 -0.85 0.00 0.00 60.65 59.80 1m16 h LYS 101 Cb -0.03 -0.17 -0.04 0.00 -0.60 0.00 0.00 32.23 31.39 1m16 h LYS 101 CO -0.04 0.51 -0.09 0.72 -3.45 0.00 0.00 179.45 177.11 1m16 n HIS 102 N -4.56 0.69 -0.07 1.91 8.25 -0.95 -4.73 115.22 115.76 1m16 n HIS 102 Ca 0.17 -1.24 0.11 0.00 -0.26 0.00 0.00 57.72 56.49 1m16 n HIS 102 Cb 0.40 -0.34 0.49 0.00 1.12 0.00 0.00 29.99 31.65 1m16 n HIS 102 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1m16 h ALA 103 N 1.05 1.96 0.00 -1.41 0.00 0.16 -0.72 119.26 120.30 1m16 h ALA 103 Ca 0.08 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 1m16 h ALA 103 Cb 1.38 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 19.07 1m16 h ALA 103 CO 0.21 -0.08 -0.00 1.05 0.00 0.00 0.00 179.25 180.43 1m16 h GLU 104 N 0.44 0.00 -0.33 0.00 9.09 -1.85 -1.43 114.58 120.51 1m16 h GLU 104 Ca 0.26 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.67 1m16 h GLU 104 Cb 0.45 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.55 1m16 h GLU 104 CO -0.07 0.00 0.00 1.63 0.05 0.00 0.00 179.01 180.62 1m16 n LYS 105 N -3.87 2.42 -3.57 1.06 5.02 -0.29 -4.97 118.16 113.96 1m16 n LYS 105 Ca -0.03 -2.14 -0.20 0.00 -2.02 0.00 0.00 58.31 53.92 1m16 n LYS 105 Cb 0.09 -1.50 0.07 0.00 -0.02 0.00 0.00 35.03 33.66 1m16 n LYS 105 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1m16 n ASN 106 N 1.37 -2.39 -4.62 4.39 3.02 -0.54 -4.95 115.26 111.54 1m16 n ASN 106 Ca 0.19 -0.69 -0.41 0.00 -0.03 0.00 0.00 54.58 53.63 1m16 n ASN 106 Cb 0.58 -4.67 -0.06 0.00 -0.61 0.00 0.00 39.78 35.02 1m16 n ASN 106 CO 0.00 0.00 0.00 0.26 -2.62 0.00 0.00 177.26 174.90 1m16 s TRP 107 N -3.46 3.27 0.42 3.10 0.52 -1.23 -4.62 118.94 116.95 1m16 s TRP 107 Ca 0.11 0.85 0.07 0.00 0.02 0.00 0.00 56.10 57.15 1m16 s TRP 107 Cb -0.05 -2.95 -0.03 0.00 -1.15 0.00 0.00 33.47 29.28 1m16 s TRP 107 CO 0.76 -0.39 0.27 -0.06 0.02 0.00 0.00 176.95 177.56 1m16 s PHE 108 N 2.65 2.59 0.01 -1.98 0.40 -1.26 -0.19 117.98 120.20 1m16 s PHE 108 Ca 0.29 -0.57 -0.23 0.00 -0.60 0.00 0.00 56.93 55.82 1m16 s PHE 108 Cb -0.15 -2.04 -0.05 0.00 0.51 0.00 0.00 43.02 41.28 1m16 s PHE 108 CO 0.09 0.02 0.70 -1.17 0.70 0.00 0.00 175.22 175.56 1m16 s LEU 109 N -4.02 4.41 -0.07 -0.37 2.96 -0.24 -4.66 118.68 116.70 1m16 s LEU 109 Ca 0.43 1.31 -0.31 0.00 -0.22 0.00 0.00 54.13 55.35 1m16 s LEU 109 Cb 0.01 -3.11 0.07 0.00 0.50 0.00 0.00 46.19 43.66 1m16 s LEU 109 CO 0.25 0.02 0.70 -0.83 -1.32 0.00 0.00 176.35 175.17 1m16 s GLY 110 N 0.06 -0.56 -0.09 7.98 0.00 -1.26 -4.43 107.32 109.02 1m16 s GLY 110 Ca 0.36 1.40 0.04 0.00 0.00 0.00 0.00 44.72 46.52 1m16 s GLY 110 CO 0.20 1.00 -0.24 1.08 0.00 0.00 0.00 173.10 175.14 1m16 s LEU 111 N -1.12 2.12 0.76 0.66 1.43 -0.67 -0.90 118.68 120.96 1m16 s LEU 111 Ca -0.10 -0.54 -0.11 0.00 -1.03 0.00 0.00 54.13 52.35 1m16 s LEU 111 Cb -0.00 -1.42 0.05 0.00 0.03 0.00 0.00 46.19 44.85 1m16 s LEU 111 CO 0.09 0.18 1.09 -0.54 0.23 0.00 0.00 176.35 177.39 1m16 s LYS 112 N 0.25 2.41 0.56 1.70 1.02 0.53 -4.45 119.74 121.75 1m16 s LYS 112 Ca -0.16 0.72 0.28 0.00 0.02 0.00 0.00 55.97 56.83 1m16 s LYS 112 Cb -0.17 -1.95 1.48 0.00 -0.52 0.00 0.00 37.83 36.67 1m16 s LYS 112 CO 0.08 -1.41 1.96 0.87 -0.92 0.00 0.00 175.35 175.92 1m16 h LYS 113 N -0.94 0.00 -0.26 1.68 1.57 -1.88 0.96 116.57 117.71 1m16 h LYS 113 Ca -0.46 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.32 1m16 h LYS 113 Cb 1.25 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.56 1m16 h LYS 113 CO 0.59 0.00 0.00 0.27 -0.57 0.00 0.00 179.45 179.74 1m16 n ASN 114 N -4.01 1.49 0.00 0.86 0.23 -1.26 -4.65 115.26 107.92 1m16 n ASN 114 Ca 0.09 -1.93 0.00 0.00 -0.53 0.00 0.00 54.58 52.21 1m16 n ASN 114 Cb 0.63 -0.17 0.00 0.00 -2.08 0.00 0.00 39.78 38.16 1m16 n ASN 114 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1m16 n GLY 115 N 0.98 0.77 3.84 4.83 0.00 0.33 -4.98 105.19 110.97 1m16 n GLY 115 Ca 0.11 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.76 1m16 n GLY 115 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1m16 s SER 116 N -2.55 6.78 0.43 1.61 1.04 -1.26 -0.77 113.70 118.99 1m16 s SER 116 Ca 0.00 0.96 -0.23 0.00 0.48 0.00 0.00 55.95 57.16 1m16 s SER 116 Cb 0.00 -2.24 -0.09 0.00 0.10 0.00 0.00 66.02 63.79 1m16 s SER 116 CO 0.00 0.23 1.05 0.54 0.98 0.00 0.00 173.24 176.04 1m16 s VAL 117 N -1.25 3.75 0.18 5.02 0.11 -1.26 -0.35 120.40 126.60 1m16 s VAL 117 Ca 0.29 1.25 -0.09 0.00 -2.93 0.00 0.00 61.98 60.50 1m16 s VAL 117 Cb -0.16 -3.60 -0.07 0.00 -1.53 0.00 0.00 36.38 31.03 1m16 s VAL 117 CO 0.16 -0.08 0.49 -0.54 -3.33 0.00 0.00 175.10 171.80 1m16 s LYS 118 N -2.76 3.77 0.24 1.54 1.02 -0.08 -4.87 119.74 118.60 1m16 s LYS 118 Ca 0.61 0.19 -0.30 0.00 0.02 0.00 0.00 55.97 56.50 1m16 s LYS 118 Cb -0.20 -2.77 -0.09 0.00 -0.52 0.00 0.00 37.83 34.25 1m16 s LYS 118 CO 0.25 0.40 0.98 0.50 -0.92 0.00 0.00 175.35 176.55 1m16 s ARG 119 N -2.58 4.80 0.14 1.68 3.52 -1.26 -4.68 118.95 120.57 1m16 s ARG 119 Ca 0.43 1.56 -0.19 0.00 -0.13 0.00 0.00 55.73 57.40 1m16 s ARG 119 Cb -0.12 -3.26 0.04 0.00 -1.56 0.00 0.00 34.95 30.04 1m16 s ARG 119 CO 0.21 0.44 1.16 0.41 -0.81 0.00 0.00 175.30 176.72 1m16 n GLY 120 N 1.45 -1.80 0.28 8.12 0.00 -0.22 0.23 105.19 113.25 1m16 n GLY 120 Ca -0.02 0.88 0.19 0.00 0.00 0.00 0.00 46.02 47.07 1m16 n GLY 120 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1m16 h PRO 121 N 0.00 0.00 -0.00 1.61 0.14 -1.88 -2.38 132.00 129.49 1m16 h PRO 121 Ca 0.18 0.00 0.00 0.00 0.14 0.00 0.00 66.00 66.32 1m16 h PRO 121 Cb 0.36 0.00 0.00 0.00 0.14 0.00 0.00 31.00 31.50 1m16 h PRO 121 CO -0.72 0.00 -0.01 0.54 0.14 0.00 0.00 178.00 177.95 1m16 n ARG 122 N -2.91 0.03 -3.70 0.86 5.12 0.14 -4.86 116.66 111.33 1m16 n ARG 122 Ca -0.01 -0.00 -0.23 0.00 -1.93 0.00 0.00 57.85 55.68 1m16 n ARG 122 Cb 0.16 -1.50 -0.02 0.00 -1.16 0.00 0.00 32.46 29.94 1m16 n ARG 122 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 1m16 s THR 123 N -2.97 5.19 -0.12 0.55 -4.23 -0.90 -4.97 115.64 108.19 1m16 s THR 123 Ca 0.15 -0.72 -0.32 0.00 -1.18 0.00 0.00 61.69 59.62 1m16 s THR 123 Cb 0.19 -3.85 0.13 0.00 1.34 0.00 0.00 72.50 70.31 1m16 s THR 123 CO 0.53 -0.41 1.06 -1.38 -0.54 0.00 0.00 174.62 173.88 1m16 s HIS 124 N -2.11 -0.24 0.21 3.99 -3.43 -1.26 -4.80 115.29 107.64 1m16 s HIS 124 Ca 0.37 0.22 -0.32 0.00 -0.80 0.00 0.00 55.06 54.53 1m16 s HIS 124 Cb -0.09 0.51 -0.13 0.00 -1.43 0.00 0.00 32.58 31.43 1m16 s HIS 124 CO 0.32 -0.34 1.51 0.66 -2.00 0.00 0.00 174.74 174.88 1m16 n TYR 125 N 0.03 2.30 0.00 0.38 4.01 -1.26 -2.41 117.16 120.22 1m16 n TYR 125 Ca -0.05 0.33 0.00 0.00 -0.16 0.00 0.00 57.90 58.03 1m16 n TYR 125 Cb 0.59 -2.52 0.00 0.00 -0.31 0.00 0.00 39.34 37.11 1m16 n TYR 125 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1m16 n GLY 126 N 2.72 0.49 3.86 2.72 0.00 -1.26 -5.09 105.19 108.63 1m16 n GLY 126 Ca 0.14 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.84 1m16 n GLY 126 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1m16 s GLN 127 N -0.70 3.90 0.15 1.61 -0.21 -1.01 -4.98 119.66 118.42 1m16 s GLN 127 Ca 0.00 0.52 0.08 0.00 0.02 0.00 0.00 55.36 55.98 1m16 s GLN 127 Cb 0.00 -2.47 -0.12 0.00 1.00 0.00 0.00 33.01 31.42 1m16 s GLN 127 CO 0.00 0.14 1.33 0.87 -2.12 0.00 0.00 175.29 175.52 1m16 h LYS 128 N 2.06 0.00 -0.22 2.91 1.79 -1.97 -3.30 116.57 117.83 1m16 h LYS 128 Ca -0.47 0.00 0.07 0.00 -2.18 0.00 0.00 60.65 58.06 1m16 h LYS 128 Cb 1.18 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.82 1m16 h LYS 128 CO 0.66 0.90 0.25 0.00 -1.08 0.00 0.00 179.45 180.19 1m16 h ALA 129 N 1.10 1.85 -0.01 3.86 0.00 -1.94 -2.07 119.26 122.05 1m16 h ALA 129 Ca -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1m16 h ALA 129 Cb 1.66 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.46 1m16 h ALA 129 CO 0.12 -0.37 -0.42 0.44 0.00 0.00 0.00 179.25 179.01 1m16 n ILE 130 N -3.76 0.00 -3.11 0.00 -5.35 -1.24 -1.67 119.36 104.23 1m16 n ILE 130 Ca 0.03 -0.09 -0.40 0.00 -0.27 0.00 0.00 62.75 62.02 1m16 n ILE 130 Cb 0.39 0.50 -0.06 0.00 -1.74 0.00 0.00 39.64 38.73 1m16 n ILE 130 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 1m16 s LEU 131 N -2.70 4.17 0.19 7.28 1.43 -0.78 -4.50 118.68 123.77 1m16 s LEU 131 Ca 0.18 0.89 0.11 0.00 -1.03 0.00 0.00 54.13 54.28 1m16 s LEU 131 Cb 0.18 -2.92 -0.04 0.00 0.03 0.00 0.00 46.19 43.44 1m16 s LEU 131 CO 0.61 -0.25 -0.24 -0.36 0.23 0.00 0.00 176.35 176.35 1m16 s PHE 132 N 1.73 2.26 -0.18 0.29 0.40 -0.34 -2.21 117.98 119.94 1m16 s PHE 132 Ca 0.30 -0.37 -0.00 0.00 -0.60 0.00 0.00 56.93 56.26 1m16 s PHE 132 Cb -0.16 -1.13 0.04 0.00 0.51 0.00 0.00 43.02 42.29 1m16 s PHE 132 CO 0.11 0.47 -0.07 -0.51 0.70 0.00 0.00 175.22 175.93 1m16 s LEU 133 N -2.62 1.80 -0.25 -0.37 1.02 0.21 -1.14 118.68 117.33 1m16 s LEU 133 Ca 0.20 -0.73 -0.25 0.00 0.02 0.00 0.00 54.13 53.37 1m16 s LEU 133 Cb -0.08 -1.00 -0.00 0.00 0.02 0.00 0.00 46.19 45.13 1m16 s LEU 133 CO 0.09 -0.17 0.86 -2.16 0.02 0.00 0.00 176.35 174.98 1m16 s PRO 134 N 1.57 4.18 0.11 1.29 0.04 -1.26 -0.61 135.00 140.31 1m16 s PRO 134 Ca 0.00 0.97 0.06 0.00 0.04 0.00 0.00 61.00 62.08 1m16 s PRO 134 Cb -0.16 -3.65 -0.04 0.00 0.04 0.00 0.00 34.50 30.69 1m16 s PRO 134 CO -0.08 -0.55 -0.04 -0.51 0.04 0.00 0.00 177.00 175.86 1m16 s LEU 135 N 2.91 3.26 0.63 -3.56 1.43 0.47 -4.89 118.68 118.93 1m16 s LEU 135 Ca 0.36 -0.29 -0.18 0.00 -1.03 0.00 0.00 54.13 52.98 1m16 s LEU 135 Cb -0.15 -2.01 -0.02 0.00 0.03 0.00 0.00 46.19 44.04 1m16 s LEU 135 CO 0.08 0.17 1.27 -2.84 0.23 0.00 0.00 176.35 175.25 1m16 s PRO 136 N -2.35 2.68 0.00 1.29 0.02 -1.26 0.05 135.00 135.43 1m16 s PRO 136 Ca 0.24 2.00 0.29 0.00 0.02 0.00 0.00 61.00 63.55 1m16 s PRO 136 Cb -0.11 -1.87 1.24 0.00 0.02 0.00 0.00 34.50 33.78 1m16 s PRO 136 CO 0.16 -1.48 1.85 1.33 -0.33 0.00 0.00 177.00 178.53