#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 1.17 -2.76 -1.40 7.35 -1.26 -5.01 117.46 115.56 1m16 n PHE 1 Ca 0.00 -1.69 -0.43 0.00 -0.76 0.00 0.00 57.45 54.57 1m16 n PHE 1 Cb 0.00 -0.25 -0.03 0.00 0.35 0.00 0.00 39.48 39.54 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 -3.25 6.65 0.02 -2.13 0.01 -1.26 -5.01 114.94 109.98 1m16 s ASN 2 Ca 0.38 0.50 -0.02 0.00 -0.71 0.00 0.00 52.86 53.01 1m16 s ASN 2 Cb 0.37 -2.48 -0.04 0.00 0.41 0.00 0.00 41.25 39.51 1m16 s ASN 2 CO -0.05 -0.97 0.21 -0.76 -1.51 0.00 0.00 177.10 174.02 1m16 s LEU 3 N 3.72 4.36 0.54 0.60 1.43 -1.26 -0.03 118.68 128.05 1m16 s LEU 3 Ca 0.40 0.36 -0.17 0.00 -1.03 0.00 0.00 54.13 53.70 1m16 s LEU 3 Cb -0.11 -2.77 -0.06 0.00 0.03 0.00 0.00 46.19 43.28 1m16 s LEU 3 CO 0.22 0.22 1.02 -2.16 0.23 0.00 0.00 176.35 175.88 1m16 s PRO 4 N -2.13 3.69 0.76 1.29 0.04 -1.26 -4.64 135.00 132.75 1m16 s PRO 4 Ca 0.30 1.08 -0.12 0.00 0.04 0.00 0.00 61.00 62.31 1m16 s PRO 4 Cb -0.13 -2.09 0.05 0.00 0.04 0.00 0.00 34.50 32.37 1m16 s PRO 4 CO 0.22 -0.49 1.12 -1.25 0.04 0.00 0.00 177.00 176.63 1m16 s PRO 5 N -4.00 2.42 0.00 0.56 0.04 -1.26 -4.93 135.00 127.83 1m16 s PRO 5 Ca 0.61 0.43 0.00 0.00 0.04 0.00 0.00 61.00 62.08 1m16 s PRO 5 Cb -0.13 -1.97 0.00 0.00 0.04 0.00 0.00 34.50 32.44 1m16 s PRO 5 CO 0.32 -1.34 0.00 0.41 0.04 0.00 0.00 177.00 176.44 1m16 n GLY 6 N -2.82 2.42 0.00 0.56 0.00 -1.26 -5.10 105.19 99.00 1m16 n GLY 6 Ca 0.07 -1.96 0.00 0.00 0.00 0.00 0.00 46.02 44.13 1m16 n GLY 6 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1m16 n ASN 7 N 0.00 0.98 -0.42 1.61 0.23 -1.26 -5.05 115.26 111.34 1m16 n ASN 7 Ca 0.00 -0.91 0.04 0.00 -0.53 0.00 0.00 54.58 53.18 1m16 n ASN 7 Cb 0.00 0.00 0.11 0.00 -2.08 0.00 0.00 39.78 37.81 1m16 n ASN 7 CO 0.00 0.00 0.00 -1.22 -0.93 0.00 0.00 177.26 175.11 1m16 n TYR 8 N 0.00 0.32 -0.09 -2.53 4.01 -1.26 -4.77 117.16 112.85 1m16 n TYR 8 Ca 0.00 -0.55 -0.06 0.00 -0.16 0.00 0.00 57.90 57.13 1m16 n TYR 8 Cb 0.00 -0.06 0.00 0.00 -0.31 0.00 0.00 39.34 38.97 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 1.26 0.08 -6.19 -0.72 6.56 -1.97 -3.44 116.57 112.14 1m16 h LYS 9 Ca 0.00 -0.00 -0.55 0.00 -1.06 0.00 0.00 60.65 59.04 1m16 h LYS 9 Cb 0.72 -0.02 -0.09 0.00 -0.57 0.00 0.00 32.23 32.27 1m16 h LYS 9 CO 0.02 0.05 -0.62 -1.59 -2.06 0.00 0.00 179.45 175.25 1m16 s LYS 10 N -6.19 2.39 0.81 3.15 0.00 -1.26 -5.10 119.74 113.54 1m16 s LYS 10 Ca -0.13 -1.37 -0.12 0.00 0.00 0.00 0.00 55.97 54.35 1m16 s LYS 10 Cb 0.12 -2.22 0.08 0.00 0.00 0.00 0.00 37.83 35.81 1m16 s LYS 10 CO 0.70 0.35 1.14 -2.14 0.00 0.00 0.00 175.35 175.40 1m16 s PRO 11 N -3.71 1.80 0.13 1.78 0.01 -1.26 -4.76 135.00 128.98 1m16 s PRO 11 Ca 0.32 1.47 -0.07 0.00 0.01 0.00 0.00 61.00 62.73 1m16 s PRO 11 Cb -0.06 -1.82 -0.02 0.00 0.01 0.00 0.00 34.50 32.61 1m16 s PRO 11 CO 0.21 -2.04 0.19 0.15 0.01 0.00 0.00 177.00 175.52 1m16 s LYS 12 N -4.51 0.98 -0.15 5.54 1.02 0.11 -4.06 119.74 118.68 1m16 s LYS 12 Ca 0.67 -1.17 -0.06 0.00 0.02 0.00 0.00 55.97 55.43 1m16 s LYS 12 Cb -0.22 0.33 -0.04 0.00 -0.52 0.00 0.00 37.83 37.38 1m16 s LYS 12 CO 0.53 -0.32 0.07 -0.51 -0.92 0.00 0.00 175.35 174.20 1m16 s LEU 13 N -2.95 3.91 -0.51 3.17 1.43 0.96 -1.34 118.68 123.35 1m16 s LEU 13 Ca 0.14 0.19 -0.16 0.00 -1.03 0.00 0.00 54.13 53.27 1m16 s LEU 13 Cb 0.05 -1.96 0.10 0.00 0.03 0.00 0.00 46.19 44.41 1m16 s LEU 13 CO -0.04 0.28 0.48 -0.76 0.23 0.00 0.00 176.35 176.54 1m16 s LEU 14 N -0.26 5.81 -0.23 1.79 1.43 -1.26 0.02 118.68 125.99 1m16 s LEU 14 Ca 0.08 -1.51 -0.12 0.00 -1.03 0.00 0.00 54.13 51.56 1m16 s LEU 14 Cb -0.12 -2.22 -0.05 0.00 0.03 0.00 0.00 46.19 43.83 1m16 s LEU 14 CO 0.01 -0.79 0.22 -0.47 0.23 0.00 0.00 176.35 175.56 1m16 s TYR 15 N 1.75 3.33 -0.12 0.29 6.14 -0.66 -0.16 117.35 127.92 1m16 s TYR 15 Ca 0.05 0.32 -0.16 0.00 0.64 0.00 0.00 57.07 57.92 1m16 s TYR 15 Cb -0.26 -2.34 -0.05 0.00 0.42 0.00 0.00 41.96 39.73 1m16 s TYR 15 CO 0.05 0.04 0.38 0.00 0.64 0.00 0.00 175.55 176.66 1m16 h SER 17 N 6.36 0.22 0.00 0.00 0.02 -1.60 -0.78 113.55 117.77 1m16 h SER 17 Ca -0.43 -0.07 0.00 0.00 -0.84 0.00 0.00 61.79 60.45 1m16 h SER 17 Cb 1.18 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 63.66 1m16 h SER 17 CO 0.73 0.23 0.00 -3.20 -1.14 0.00 0.00 176.83 173.45 1m16 n ASN 18 N -4.92 0.00 -0.36 3.07 5.15 -1.22 -2.77 115.26 114.22 1m16 n ASN 18 Ca -0.04 0.64 0.04 0.00 -0.60 0.00 0.00 54.58 54.62 1m16 n ASN 18 Cb 0.06 -0.32 0.05 0.00 -0.53 0.00 0.00 39.78 39.05 1m16 n ASN 18 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1m16 n GLY 19 N -1.00 0.30 2.54 8.20 0.00 -1.26 -4.80 105.19 109.18 1m16 n GLY 19 Ca 0.00 -0.24 -0.12 0.00 0.00 0.00 0.00 46.02 45.66 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 0.39 0.21 3.87 -0.02 0.00 -0.32 -5.02 105.19 104.28 1m16 n GLY 20 Ca 0.06 -0.21 -0.22 0.00 0.00 0.00 0.00 46.02 45.65 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 -3.16 3.21 -0.20 1.61 3.76 -1.05 -4.70 115.29 114.76 1m16 s HIS 21 Ca 0.29 -0.08 -0.12 0.00 -0.15 0.00 0.00 55.06 55.00 1m16 s HIS 21 Cb -0.13 -1.45 -0.05 0.00 1.11 0.00 0.00 32.58 32.06 1m16 s HIS 21 CO 0.36 0.50 0.22 -0.06 -0.85 0.00 0.00 174.74 174.91 1m16 s PHE 22 N -2.08 3.39 0.41 1.40 0.08 0.22 0.57 117.98 121.97 1m16 s PHE 22 Ca 0.33 0.41 -0.26 0.00 0.12 0.00 0.00 56.93 57.53 1m16 s PHE 22 Cb -0.08 -2.29 -0.10 0.00 -0.57 0.00 0.00 43.02 39.98 1m16 s PHE 22 CO 0.26 0.18 1.28 -0.11 -0.10 0.00 0.00 175.22 176.73 1m16 n LEU 23 N 3.86 3.99 -3.87 -0.37 7.94 0.78 -1.30 117.00 128.03 1m16 n LEU 23 Ca -0.14 1.13 -0.11 0.00 -1.11 0.00 0.00 56.01 55.78 1m16 n LEU 23 Cb 0.52 -1.50 -0.11 0.00 0.53 0.00 0.00 43.42 42.85 1m16 n LEU 23 CO 0.38 -0.59 -0.22 -0.60 -1.11 0.00 0.00 177.39 175.24 1m16 s ARG 24 N -2.16 0.33 -0.24 1.96 3.52 0.34 -4.46 118.95 118.24 1m16 s ARG 24 Ca 0.60 -0.22 -0.00 0.00 -0.13 0.00 0.00 55.73 55.98 1m16 s ARG 24 Cb -0.51 0.14 0.07 0.00 -1.56 0.00 0.00 34.95 33.08 1m16 s ARG 24 CO 0.59 -0.07 0.00 0.42 -0.81 0.00 0.00 175.30 175.43 1m16 s ILE 25 N -0.86 1.22 0.85 4.11 1.01 -1.07 -1.52 121.20 124.94 1m16 s ILE 25 Ca -0.09 -1.16 -0.11 0.00 0.00 0.00 0.00 60.65 59.28 1m16 s ILE 25 Cb -0.05 -1.64 0.10 0.00 0.01 0.00 0.00 42.46 40.88 1m16 s ILE 25 CO 0.01 -0.26 1.09 -0.76 0.00 0.00 0.00 174.94 175.02 1m16 s LEU 26 N 1.52 2.43 0.58 2.97 1.43 -0.37 -4.85 118.68 122.38 1m16 s LEU 26 Ca -0.01 1.46 0.29 0.00 -1.03 0.00 0.00 54.13 54.84 1m16 s LEU 26 Cb -0.18 -3.96 1.75 0.00 0.03 0.00 0.00 46.19 43.83 1m16 s LEU 26 CO -0.10 -2.37 2.22 -0.65 0.23 0.00 0.00 176.35 175.68 1m16 h PRO 27 N -1.37 0.00 -0.00 1.29 0.11 -2.00 -0.96 132.00 129.07 1m16 h PRO 27 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1m16 h PRO 27 Cb 1.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 1m16 h PRO 27 CO 0.56 0.03 -0.02 -0.40 -0.21 0.00 0.00 178.00 177.95 1m16 n ASP 28 N -3.80 0.36 0.00 -2.05 5.75 -1.26 -4.88 116.55 110.66 1m16 n ASP 28 Ca -0.03 -0.88 0.00 0.00 -0.01 0.00 0.00 54.79 53.87 1m16 n ASP 28 Cb 0.11 -0.05 0.00 0.00 -1.03 0.00 0.00 41.12 40.15 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 1.13 0.63 3.72 6.12 0.00 -0.37 -4.96 105.19 111.47 1m16 n GLY 29 Ca 0.20 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.43 3.22 -0.19 2.61 2.01 -1.26 -0.57 115.64 119.03 1m16 s THR 30 Ca 0.00 0.91 -0.06 0.00 0.31 0.00 0.00 61.69 62.85 1m16 s THR 30 Cb 0.00 -3.58 -0.03 0.00 0.01 0.00 0.00 72.50 68.89 1m16 s THR 30 CO 0.00 0.09 0.02 -0.69 -0.69 0.00 0.00 174.62 173.36 1m16 s VAL 31 N 0.77 4.28 0.00 3.82 1.01 -1.26 -1.24 120.40 127.78 1m16 s VAL 31 Ca 0.62 -0.21 0.00 0.00 0.00 0.00 0.00 61.98 62.40 1m16 s VAL 31 Cb -0.37 -2.93 0.00 0.00 0.00 0.00 0.00 36.38 33.08 1m16 s VAL 31 CO 0.33 0.44 0.00 -0.90 0.00 0.00 0.00 175.10 174.97 1m16 n ASP 32 N 3.96 0.00 -3.98 3.32 5.75 -0.57 -4.21 116.55 120.81 1m16 n ASP 32 Ca -0.17 -0.01 -0.14 0.00 -0.01 0.00 0.00 54.79 54.46 1m16 n ASP 32 Cb 0.52 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 -0.01 0.30 0.06 6.12 0.00 0.12 -0.50 107.32 113.42 1m16 s GLY 33 Ca 0.00 -0.40 0.05 0.00 0.00 0.00 0.00 44.72 44.36 1m16 s GLY 33 CO 0.00 -0.41 -0.13 -1.08 0.00 0.00 0.00 173.10 171.48 1m16 s THR 34 N -0.62 1.02 -0.34 0.90 -1.32 -0.42 -4.73 115.64 110.14 1m16 s THR 34 Ca -0.04 -1.23 0.23 0.00 -1.21 0.00 0.00 61.69 59.44 1m16 s THR 34 Cb -0.05 -0.99 -0.13 0.00 -1.51 0.00 0.00 72.50 69.82 1m16 s THR 34 CO -0.00 -0.22 0.90 0.54 -2.21 0.00 0.00 174.62 173.63 1m16 n ARG 35 N 1.39 0.49 -2.44 7.08 1.74 -1.26 0.70 116.66 124.36 1m16 n ARG 35 Ca -0.21 -0.01 -0.41 0.00 -0.77 0.00 0.00 57.85 56.45 1m16 n ARG 35 Cb 0.54 -1.66 -0.03 0.00 -1.02 0.00 0.00 32.46 30.30 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 -4.56 6.07 0.27 0.55 2.15 -1.26 -4.84 116.67 115.05 1m16 s ASP 36 Ca -0.01 -0.08 0.21 0.00 0.43 0.00 0.00 52.55 53.11 1m16 s ASP 36 Cb 0.13 -2.55 1.03 0.00 -0.30 0.00 0.00 42.92 41.22 1m16 s ASP 36 CO 0.82 -1.83 1.64 -2.11 -0.17 0.00 0.00 175.17 173.52 1m16 n ARG 37 N 9.04 0.15 0.00 4.34 1.85 -1.26 -0.87 116.66 129.91 1m16 n ARG 37 Ca 0.09 0.54 0.13 0.00 -1.00 0.00 0.00 57.85 57.61 1m16 n ARG 37 Cb 0.49 -1.89 0.60 0.00 -1.05 0.00 0.00 32.46 30.62 1m16 n ARG 37 CO 0.00 0.00 0.00 -1.13 -0.01 0.00 0.00 177.63 176.49 1m16 n SER 38 N -2.19 0.00 -4.71 2.89 3.41 -1.26 -4.88 113.62 106.87 1m16 n SER 38 Ca 0.00 0.35 -0.41 0.00 -0.26 0.00 0.00 58.87 58.55 1m16 n SER 38 Cb 0.11 -0.45 0.01 0.00 -0.26 0.00 0.00 64.21 63.62 1m16 n SER 38 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1m16 n ASP 39 N -1.45 2.69 -1.01 4.04 -0.08 -0.05 -4.93 116.55 115.76 1m16 n ASP 39 Ca 0.08 1.11 0.12 0.00 -1.51 0.00 0.00 54.79 54.59 1m16 n ASP 39 Cb 0.29 -1.52 0.21 0.00 2.34 0.00 0.00 41.12 42.44 1m16 n ASP 39 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1m16 n GLN 40 N -0.03 2.35 -0.23 -0.67 -0.00 -1.26 -4.18 117.38 113.36 1m16 n GLN 40 Ca 0.06 -2.00 0.09 0.00 -0.00 0.00 0.00 57.00 55.15 1m16 n GLN 40 Cb 0.40 -1.49 0.18 0.00 -0.00 0.00 0.00 30.24 29.33 1m16 n GLN 40 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.06 177.78 1m16 n HIS 41 N 1.29 0.27 0.16 2.61 8.25 -1.26 -4.57 115.22 121.96 1m16 n HIS 41 Ca 0.17 -1.03 0.07 0.00 -0.26 0.00 0.00 57.72 56.67 1m16 n HIS 41 Cb 0.57 -0.21 0.12 0.00 1.12 0.00 0.00 29.99 31.59 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 -1.18 0.52 -3.32 1.59 -5.35 -1.26 -2.59 119.36 107.77 1m16 n ILE 42 Ca 0.18 -0.76 -0.39 0.00 -0.27 0.00 0.00 62.75 61.51 1m16 n ILE 42 Cb 0.72 0.87 -0.07 0.00 -1.74 0.00 0.00 39.64 39.42 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 -1.06 4.18 0.01 6.28 1.11 -1.26 -4.42 119.66 124.49 1m16 s GLN 43 Ca 0.22 0.30 0.05 0.00 0.01 0.00 0.00 55.36 55.94 1m16 s GLN 43 Cb 0.13 -3.55 -0.02 0.00 -1.01 0.00 0.00 33.01 28.56 1m16 s GLN 43 CO 0.18 -0.10 -0.16 -0.06 0.01 0.00 0.00 175.29 175.16 1m16 s PHE 44 N 1.50 1.45 -0.35 0.91 0.08 -0.45 -1.46 117.98 119.66 1m16 s PHE 44 Ca 0.21 -0.30 -0.07 0.00 0.12 0.00 0.00 56.93 56.89 1m16 s PHE 44 Cb -0.15 -0.90 0.04 0.00 -0.57 0.00 0.00 43.02 41.44 1m16 s PHE 44 CO 0.09 0.01 0.13 -1.14 -0.10 0.00 0.00 175.22 174.21 1m16 s GLN 45 N -0.66 2.61 0.28 0.44 2.00 0.26 0.08 119.66 124.67 1m16 s GLN 45 Ca 0.05 -1.22 -0.11 0.00 -2.00 0.00 0.00 55.36 52.08 1m16 s GLN 45 Cb -0.07 -3.51 -0.08 0.00 0.80 0.00 0.00 33.01 30.15 1m16 s GLN 45 CO 0.00 -0.71 0.64 -0.51 -0.50 0.00 0.00 175.29 174.21 1m16 s LEU 46 N 1.41 4.09 0.08 3.68 1.02 -1.26 -1.60 118.68 126.09 1m16 s LEU 46 Ca -0.01 1.06 -0.14 0.00 0.02 0.00 0.00 54.13 55.06 1m16 s LEU 46 Cb -0.20 -3.85 0.02 0.00 0.02 0.00 0.00 46.19 42.18 1m16 s LEU 46 CO 0.03 -0.16 0.32 -0.94 0.02 0.00 0.00 176.35 175.61 1m16 s SER 47 N -2.46 -0.12 -0.18 2.29 1.04 -1.01 -4.78 113.70 108.47 1m16 s SER 47 Ca 0.50 -0.30 -0.04 0.00 0.48 0.00 0.00 55.95 56.59 1m16 s SER 47 Cb -0.11 0.39 -0.02 0.00 0.10 0.00 0.00 66.02 66.38 1m16 s SER 47 CO 0.21 -0.71 -0.03 0.00 0.98 0.00 0.00 173.24 173.69 1m16 s ALA 48 N -3.16 2.94 0.00 5.32 0.00 -1.26 -1.34 121.76 124.26 1m16 s ALA 48 Ca -0.01 -0.95 0.00 0.00 0.00 0.00 0.00 51.96 51.00 1m16 s ALA 48 Cb 0.01 -1.63 0.00 0.00 0.00 0.00 0.00 23.12 21.50 1m16 s ALA 48 CO -0.07 -0.04 0.00 -1.91 0.00 0.00 0.00 175.76 173.74 1m16 n GLU 49 N 4.03 0.00 -2.76 0.00 4.07 0.29 -4.92 120.64 121.35 1m16 n GLU 49 Ca -0.17 0.00 -0.21 0.00 -0.06 0.00 0.00 57.16 56.72 1m16 n GLU 49 Cb 0.52 -0.17 0.05 0.00 -0.06 0.00 0.00 31.44 31.79 1m16 n GLU 49 CO 0.00 0.00 0.00 -1.12 -0.06 0.00 0.00 177.13 175.95 1m16 s SER 50 N -1.43 5.08 0.16 4.31 0.01 -1.25 -4.93 113.70 115.65 1m16 s SER 50 Ca 0.00 -0.32 -0.31 0.00 1.31 0.00 0.00 55.95 56.63 1m16 s SER 50 Cb 0.00 -0.42 -0.11 0.00 0.21 0.00 0.00 66.02 65.71 1m16 s SER 50 CO 0.00 -1.29 1.72 -0.69 0.41 0.00 0.00 173.24 173.39 1m16 s VAL 51 N -2.77 2.40 0.00 3.43 1.01 -1.26 -0.50 120.40 122.71 1m16 s VAL 51 Ca 0.60 0.16 0.00 0.00 0.00 0.00 0.00 61.98 62.74 1m16 s VAL 51 Cb -0.08 -3.10 0.00 0.00 0.00 0.00 0.00 36.38 33.20 1m16 s VAL 51 CO 0.39 0.01 0.00 0.61 0.00 0.00 0.00 175.10 176.11 1m16 n GLY 52 N 4.02 1.47 3.46 4.51 0.00 -1.26 -5.01 105.19 112.37 1m16 n GLY 52 Ca 0.16 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.27 3.69 0.13 1.61 2.02 0.34 -1.90 118.70 124.34 1m16 s GLU 53 Ca 0.00 -0.46 0.06 0.00 0.02 0.00 0.00 54.97 54.60 1m16 s GLU 53 Cb 0.00 -3.37 -0.04 0.00 0.10 0.00 0.00 34.13 30.82 1m16 s GLU 53 CO 0.00 -0.19 -0.15 0.14 0.02 0.00 0.00 175.26 175.09 1m16 s VAL 54 N 1.63 1.44 0.03 2.63 -7.23 -0.40 -0.55 120.40 117.94 1m16 s VAL 54 Ca 0.06 -1.78 0.01 0.00 -1.81 0.00 0.00 61.98 58.47 1m16 s VAL 54 Cb -0.15 -1.62 -0.04 0.00 0.56 0.00 0.00 36.38 35.13 1m16 s VAL 54 CO 0.05 -0.41 0.06 -0.31 -0.31 0.00 0.00 175.10 174.17 1m16 s TYR 55 N -2.18 3.19 -0.30 2.82 2.02 -0.45 -1.57 117.35 120.88 1m16 s TYR 55 Ca 0.11 0.13 0.03 0.00 -0.37 0.00 0.00 57.07 56.96 1m16 s TYR 55 Cb -0.05 -1.67 0.08 0.00 -0.40 0.00 0.00 41.96 39.92 1m16 s TYR 55 CO 0.04 0.52 0.00 0.42 -1.57 0.00 0.00 175.55 174.96 1m16 s ILE 56 N -1.24 2.00 -0.15 2.71 1.01 -1.26 -2.41 121.20 121.86 1m16 s ILE 56 Ca 0.24 -1.92 -0.04 0.00 0.00 0.00 0.00 60.65 58.93 1m16 s ILE 56 Cb -0.12 -2.36 -0.03 0.00 0.01 0.00 0.00 42.46 39.96 1m16 s ILE 56 CO 0.16 -0.40 -0.01 -0.75 0.00 0.00 0.00 174.94 173.94 1m16 s LYS 57 N 1.09 3.63 -0.28 2.79 2.20 -0.62 -1.25 119.74 127.30 1m16 s LYS 57 Ca 0.04 -0.46 -0.29 0.00 -0.36 0.00 0.00 55.97 54.90 1m16 s LYS 57 Cb -0.19 -2.96 -0.01 0.00 -1.51 0.00 0.00 37.83 33.16 1m16 s LYS 57 CO -0.09 0.33 1.43 0.45 -0.36 0.00 0.00 175.35 177.11 1m16 s SER 58 N 0.14 6.54 0.34 1.43 0.15 -0.23 0.89 113.70 122.96 1m16 s SER 58 Ca 0.01 1.33 0.05 0.00 0.70 0.00 0.00 55.95 58.04 1m16 s SER 58 Cb -0.13 -2.54 0.62 0.00 -1.71 0.00 0.00 66.02 62.26 1m16 s SER 58 CO 0.02 -1.17 1.88 0.71 1.20 0.00 0.00 173.24 175.88 1m16 h THR 59 N 6.06 1.19 -0.07 6.45 1.35 -1.58 0.79 112.91 127.11 1m16 h THR 59 Ca -0.29 -0.78 -0.14 0.00 -0.55 0.00 0.00 66.41 64.65 1m16 h THR 59 Cb 1.12 0.96 0.01 0.00 -1.73 0.00 0.00 68.15 68.50 1m16 h THR 59 CO 1.02 0.26 -0.52 -0.08 -0.25 0.00 0.00 175.52 175.96 1m16 h GLU 60 N 0.49 0.47 0.00 4.72 4.57 -1.82 -3.37 114.58 119.63 1m16 h GLU 60 Ca 0.10 -0.42 0.00 0.00 -1.18 0.00 0.00 59.36 57.87 1m16 h GLU 60 Cb 0.33 0.10 0.00 0.00 -0.16 0.00 0.00 28.75 29.01 1m16 h GLU 60 CO 0.01 1.05 -1.65 0.25 -1.18 0.00 0.00 179.01 177.49 1m16 n THR 61 N -4.24 0.00 -0.99 0.32 -2.24 -1.21 -4.99 114.28 100.93 1m16 n THR 61 Ca -0.09 -0.34 0.00 0.00 -2.27 0.00 0.00 64.05 61.35 1m16 n THR 61 Cb 0.61 0.19 0.00 0.00 -2.10 0.00 0.00 70.33 69.04 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 1.61 0.83 3.82 3.38 0.00 0.27 -5.02 105.19 110.10 1m16 n GLY 62 Ca -0.03 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.03 3.39 0.03 1.61 -0.21 -1.25 -4.71 119.66 118.48 1m16 s GLN 63 Ca 0.00 1.02 0.03 0.00 0.02 0.00 0.00 55.36 56.43 1m16 s GLN 63 Cb 0.00 -2.05 -0.04 0.00 1.00 0.00 0.00 33.01 31.92 1m16 s GLN 63 CO 0.00 -0.74 -0.02 0.71 -2.12 0.00 0.00 175.29 173.12 1m16 s TYR 64 N -2.74 2.98 0.17 0.91 1.51 -0.58 -1.07 117.35 118.53 1m16 s TYR 64 Ca 0.60 0.01 -0.30 0.00 -1.01 0.00 0.00 57.07 56.36 1m16 s TYR 64 Cb -0.13 -1.61 -0.08 0.00 -0.11 0.00 0.00 41.96 40.03 1m16 s TYR 64 CO 0.43 0.44 1.29 -1.17 -1.11 0.00 0.00 175.55 175.42 1m16 s LEU 65 N -1.73 4.41 0.06 -1.29 2.96 -0.38 -0.78 118.68 121.92 1m16 s LEU 65 Ca 0.20 2.31 -0.07 0.00 -0.22 0.00 0.00 54.13 56.36 1m16 s LEU 65 Cb -0.11 -3.60 -0.01 0.00 0.50 0.00 0.00 46.19 42.96 1m16 s LEU 65 CO 0.12 -0.51 0.13 0.00 -1.32 0.00 0.00 176.35 174.76 1m16 s ALA 66 N 0.34 -0.08 -0.09 5.97 0.00 -0.21 -4.27 121.76 123.43 1m16 s ALA 66 Ca 0.57 -0.63 -0.01 0.00 0.00 0.00 0.00 51.96 51.89 1m16 s ALA 66 Cb -0.35 0.34 0.03 0.00 0.00 0.00 0.00 23.12 23.14 1m16 s ALA 66 CO 0.36 -0.40 -0.03 1.41 0.00 0.00 0.00 175.76 177.09 1m16 s MET 67 N -3.24 1.00 0.96 0.00 1.75 -0.75 -0.35 119.30 118.67 1m16 s MET 67 Ca 0.00 -0.05 -0.16 0.00 -1.25 0.00 0.00 55.69 54.23 1m16 s MET 67 Cb 0.02 -1.21 0.19 0.00 2.84 0.00 0.00 34.83 36.67 1m16 s MET 67 CO -0.08 -0.27 1.29 0.16 -0.65 0.00 0.00 175.02 175.47 1m16 s ASP 68 N 1.79 3.10 0.00 1.11 1.47 0.17 -4.80 116.67 119.52 1m16 s ASP 68 Ca 0.04 0.36 0.05 0.00 1.18 0.00 0.00 52.55 54.18 1m16 s ASP 68 Cb -0.13 -0.47 0.24 0.00 -0.34 0.00 0.00 42.92 42.23 1m16 s ASP 68 CO -0.06 -2.75 1.10 0.35 0.68 0.00 0.00 175.17 174.49 1m16 n THR 69 N -3.80 1.34 -0.26 2.11 -2.24 -1.26 -1.31 114.28 108.87 1m16 n THR 69 Ca 0.14 0.34 0.09 0.00 -2.27 0.00 0.00 64.05 62.34 1m16 n THR 69 Cb 0.60 -1.25 0.23 0.00 -2.10 0.00 0.00 70.33 67.81 1m16 n THR 69 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1m16 n ASP 70 N -1.41 3.42 0.00 3.42 8.00 -1.26 -4.94 116.55 123.78 1m16 n ASP 70 Ca 0.02 -2.00 0.00 0.00 0.71 0.00 0.00 54.79 53.52 1m16 n ASP 70 Cb 0.05 -0.35 0.00 0.00 -0.02 0.00 0.00 41.12 40.80 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 1.07 0.73 3.79 0.44 0.00 -0.43 -4.72 105.19 106.07 1m16 n GLY 71 Ca 0.18 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.82 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 4.43 -0.05 0.99 1.02 -1.26 -0.31 118.68 123.51 1m16 s LEU 72 Ca 0.00 1.06 -0.18 0.00 0.02 0.00 0.00 54.13 55.03 1m16 s LEU 72 Cb 0.00 -2.77 -0.05 0.00 0.02 0.00 0.00 46.19 43.39 1m16 s LEU 72 CO 0.00 0.19 0.49 -0.69 0.02 0.00 0.00 176.35 176.36 1m16 s VAL 73 N -0.52 5.05 0.24 -1.59 1.01 -1.26 -0.65 120.40 122.68 1m16 s VAL 73 Ca 0.27 1.01 -0.14 0.00 0.00 0.00 0.00 61.98 63.12 1m16 s VAL 73 Cb -0.17 -3.82 0.00 0.00 0.00 0.00 0.00 36.38 32.39 1m16 s VAL 73 CO 0.15 0.43 0.51 -0.72 0.00 0.00 0.00 175.10 175.47 1m16 s TYR 74 N -0.12 0.23 -0.28 5.22 1.13 0.53 -4.53 117.35 119.53 1m16 s TYR 74 Ca 0.27 -0.61 -0.16 0.00 -1.41 0.00 0.00 57.07 55.16 1m16 s TYR 74 Cb -0.17 0.28 -0.03 0.00 -1.10 0.00 0.00 41.96 40.95 1m16 s TYR 74 CO 0.13 -1.02 0.42 0.20 -2.51 0.00 0.00 175.55 172.77 1m16 s GLY 75 N -2.99 1.87 0.12 5.49 0.00 0.26 -1.04 107.32 111.04 1m16 s GLY 75 Ca 0.19 -0.80 -0.00 0.00 0.00 0.00 0.00 44.72 44.11 1m16 s GLY 75 CO 0.07 1.07 0.29 -0.45 0.00 0.00 0.00 173.10 174.08 1m16 s SER 76 N 1.63 6.38 0.39 1.64 0.15 0.04 -4.75 113.70 119.18 1m16 s SER 76 Ca 0.17 0.33 0.21 0.00 0.70 0.00 0.00 55.95 57.36 1m16 s SER 76 Cb -0.16 -1.98 0.54 0.00 -1.71 0.00 0.00 66.02 62.72 1m16 s SER 76 CO 0.10 0.08 1.66 1.56 1.20 0.00 0.00 173.24 177.85 1m16 h GLN 77 N 2.62 0.00 -5.33 5.44 1.08 -1.93 -1.53 115.11 115.46 1m16 h GLN 77 Ca -0.46 0.00 -0.40 0.00 -1.45 0.00 0.00 58.65 56.34 1m16 h GLN 77 Cb 1.17 0.00 -0.19 0.00 -0.05 0.00 0.00 27.48 28.42 1m16 h GLN 77 CO 0.72 0.27 -0.76 0.95 -0.95 0.00 0.00 178.83 179.07 1m16 s THR 78 N -3.34 1.23 -0.39 -0.54 -4.23 -1.26 -4.85 115.64 102.26 1m16 s THR 78 Ca 0.03 -1.65 -0.25 0.00 -1.18 0.00 0.00 61.69 58.64 1m16 s THR 78 Cb 0.08 -1.44 0.02 0.00 1.34 0.00 0.00 72.50 72.49 1m16 s THR 78 CO 0.68 -0.42 0.88 -2.16 -0.54 0.00 0.00 174.62 173.06 1m16 s PRO 79 N -2.58 3.74 0.00 3.99 0.04 -1.26 -4.77 135.00 134.15 1m16 s PRO 79 Ca 0.07 0.40 0.00 0.00 0.04 0.00 0.00 61.00 61.51 1m16 s PRO 79 Cb -0.05 -3.83 0.00 0.00 0.04 0.00 0.00 34.50 30.65 1m16 s PRO 79 CO 0.02 -0.99 0.00 0.27 0.04 0.00 0.00 177.00 176.35 1m16 n ASN 80 N 6.76 0.15 0.09 6.66 0.23 -1.26 -5.01 115.26 122.88 1m16 n ASN 80 Ca 0.06 -0.88 0.19 0.00 -0.53 0.00 0.00 54.58 53.41 1m16 n ASN 80 Cb 0.48 0.00 0.73 0.00 -2.08 0.00 0.00 39.78 38.91 1m16 n ASN 80 CO 0.00 0.00 0.00 1.05 -0.93 0.00 0.00 177.26 177.38 1m16 h GLU 81 N 0.00 0.00 0.00 -3.83 4.11 -1.99 0.12 114.58 113.00 1m16 h GLU 81 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1m16 h GLU 81 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1m16 h GLU 81 CO 0.00 0.00 0.00 0.39 0.07 0.00 0.00 179.01 179.47 1m16 n GLU 82 N -4.12 0.07 0.00 1.06 1.02 -1.26 -3.45 120.64 113.96 1m16 n GLU 82 Ca 0.06 0.15 0.11 0.00 -0.02 0.00 0.00 57.16 57.46 1m16 n GLU 82 Cb 0.50 -1.59 -0.03 0.00 -0.02 0.00 0.00 31.44 30.30 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 -3.03 4.35 0.03 0.00 1.43 -1.22 -4.47 118.68 115.76 1m16 s LEU 84 Ca 0.09 1.61 0.08 0.00 -1.03 0.00 0.00 54.13 54.88 1m16 s LEU 84 Cb 0.16 -3.54 -0.03 0.00 0.03 0.00 0.00 46.19 42.81 1m16 s LEU 84 CO 0.83 -0.29 -0.23 -0.36 0.23 0.00 0.00 176.35 176.53 1m16 s PHE 85 N 1.17 2.01 -0.54 0.29 0.40 -0.61 -0.92 117.98 119.79 1m16 s PHE 85 Ca 0.51 -0.39 -0.22 0.00 -0.60 0.00 0.00 56.93 56.23 1m16 s PHE 85 Cb -0.20 -1.22 0.05 0.00 0.51 0.00 0.00 43.02 42.16 1m16 s PHE 85 CO 0.26 0.08 0.83 -0.51 0.70 0.00 0.00 175.22 176.58 1m16 s LEU 86 N -1.09 4.44 -0.29 -0.37 1.43 0.16 -1.28 118.68 121.67 1m16 s LEU 86 Ca 0.09 -0.60 -0.24 0.00 -1.03 0.00 0.00 54.13 52.35 1m16 s LEU 86 Cb -0.09 -2.66 0.00 0.00 0.03 0.00 0.00 46.19 43.46 1m16 s LEU 86 CO 0.01 -1.12 0.83 -0.70 0.23 0.00 0.00 176.35 175.60 1m16 s GLU 87 N 3.48 4.03 0.13 1.70 2.12 -0.80 -2.02 118.70 127.34 1m16 s GLU 87 Ca 0.24 0.73 0.04 0.00 0.36 0.00 0.00 54.97 56.35 1m16 s GLU 87 Cb -0.15 -3.71 -0.04 0.00 0.26 0.00 0.00 34.13 30.49 1m16 s GLU 87 CO 0.16 -0.66 -0.10 1.03 -0.54 0.00 0.00 175.26 175.15 1m16 s ARG 88 N 3.00 0.98 0.40 4.30 1.81 -0.49 -4.71 118.95 124.24 1m16 s ARG 88 Ca 0.34 -1.35 -0.23 0.00 -1.72 0.00 0.00 55.73 52.77 1m16 s ARG 88 Cb -0.14 -0.57 -0.10 0.00 -0.45 0.00 0.00 34.95 33.69 1m16 s ARG 88 CO 0.11 0.07 0.98 -1.17 -0.68 0.00 0.00 175.30 174.62 1m16 s LEU 89 N -2.93 4.08 -0.06 2.53 2.96 0.95 -0.96 118.68 125.25 1m16 s LEU 89 Ca 0.13 1.83 -0.03 0.00 -0.22 0.00 0.00 54.13 55.84 1m16 s LEU 89 Cb 0.01 -4.33 0.03 0.00 0.50 0.00 0.00 46.19 42.41 1m16 s LEU 89 CO -0.00 -0.36 0.13 -0.70 -1.32 0.00 0.00 176.35 174.10 1m16 s GLU 90 N -2.74 0.09 -1.73 1.98 2.56 0.74 -4.84 118.70 114.76 1m16 s GLU 90 Ca 0.59 0.33 0.00 0.00 0.00 0.00 0.00 54.97 55.89 1m16 s GLU 90 Cb -0.15 -0.15 0.00 0.00 2.00 0.00 0.00 34.13 35.82 1m16 s GLU 90 CO 0.20 -0.15 0.00 0.39 -0.56 0.00 0.00 175.26 175.14 1m16 n GLU 91 N 4.05 -1.73 -1.60 4.30 1.02 -1.26 -0.54 120.64 124.88 1m16 n GLU 91 Ca -0.25 0.98 -0.21 0.00 -0.02 0.00 0.00 57.16 57.66 1m16 n GLU 91 Cb 0.52 -5.63 -0.09 0.00 -0.02 0.00 0.00 31.44 26.23 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 -1.96 -5.52 0.00 1.62 4.13 -1.26 -4.64 115.26 107.63 1m16 n ASN 92 Ca -0.24 0.51 0.00 0.00 1.68 0.00 0.00 54.58 56.54 1m16 n ASN 92 Cb 0.68 -4.84 0.00 0.00 -1.54 0.00 0.00 39.78 34.08 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 -2.39 -0.49 -2.49 3.10 -0.00 -0.50 -5.15 115.22 107.30 1m16 n HIS 93 Ca -0.21 0.00 -0.23 0.00 -0.00 0.00 0.00 57.72 57.29 1m16 n HIS 93 Cb 0.68 0.24 0.05 0.00 -0.00 0.00 0.00 29.99 30.96 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 -1.47 2.88 -0.12 1.57 1.51 0.30 -4.84 117.35 117.18 1m16 s TYR 94 Ca 0.00 0.15 -0.03 0.00 -1.01 0.00 0.00 57.07 56.18 1m16 s TYR 94 Cb 0.00 -2.90 -0.03 0.00 -0.11 0.00 0.00 41.96 38.92 1m16 s TYR 94 CO 0.00 -1.05 0.00 -0.80 -1.11 0.00 0.00 175.55 172.59 1m16 s ASN 95 N -4.45 5.20 0.20 2.29 -0.87 -0.62 -0.19 114.94 116.50 1m16 s ASN 95 Ca 0.58 0.06 0.08 0.00 -1.57 0.00 0.00 52.86 52.01 1m16 s ASN 95 Cb -0.10 -1.66 -0.04 0.00 -0.02 0.00 0.00 41.25 39.42 1m16 s ASN 95 CO 0.41 0.28 -0.16 0.42 -2.57 0.00 0.00 177.10 175.47 1m16 s THR 96 N -0.30 1.83 -0.14 1.60 -4.23 -0.13 -1.45 115.64 112.81 1m16 s THR 96 Ca 0.06 -2.12 -0.02 0.00 -1.18 0.00 0.00 61.69 58.44 1m16 s THR 96 Cb -0.12 -1.99 0.04 0.00 1.34 0.00 0.00 72.50 71.78 1m16 s THR 96 CO 0.02 -0.47 0.01 -0.31 -0.54 0.00 0.00 174.62 173.33 1m16 s TYR 97 N -2.58 0.93 -0.12 3.99 2.02 -1.26 -1.39 117.35 118.94 1m16 s TYR 97 Ca 0.20 -0.59 -0.03 0.00 -0.37 0.00 0.00 57.07 56.28 1m16 s TYR 97 Cb -0.03 -0.96 -0.03 0.00 -0.40 0.00 0.00 41.96 40.54 1m16 s TYR 97 CO 0.07 -0.50 0.01 0.42 -1.57 0.00 0.00 175.55 173.99 1m16 s ILE 98 N 1.89 4.41 -0.03 2.71 1.01 -0.86 -1.11 121.20 129.21 1m16 s ILE 98 Ca 0.02 -0.20 -0.34 0.00 0.00 0.00 0.00 60.65 60.13 1m16 s ILE 98 Cb -0.15 -2.89 -0.12 0.00 0.01 0.00 0.00 42.46 39.31 1m16 s ILE 98 CO -0.07 0.56 1.85 -0.24 0.00 0.00 0.00 174.94 177.04 1m16 n SER 99 N 2.60 3.49 -0.21 3.58 2.88 -0.34 0.35 113.62 125.97 1m16 n SER 99 Ca -0.18 0.98 -0.08 0.00 -1.33 0.00 0.00 58.87 58.26 1m16 n SER 99 Cb 0.53 -1.40 0.03 0.00 -0.75 0.00 0.00 64.21 62.62 1m16 n SER 99 CO 0.00 0.00 0.00 0.50 -1.23 0.00 0.00 175.04 174.31 1m16 h LYS 100 N 8.85 0.97 -1.01 -1.46 3.64 -1.35 -0.19 116.57 126.02 1m16 h LYS 100 Ca -0.48 -0.24 0.01 0.00 -1.27 0.00 0.00 60.65 58.67 1m16 h LYS 100 Cb 1.26 -0.13 -0.05 0.00 -0.41 0.00 0.00 32.23 32.91 1m16 h LYS 100 CO 0.94 0.89 0.67 -0.22 -2.27 0.00 0.00 179.45 179.46 1m16 h LYS 101 N 0.88 1.32 -0.61 1.90 3.64 -1.78 -2.76 116.57 119.18 1m16 h LYS 101 Ca 0.19 -0.08 -0.37 0.00 -1.27 0.00 0.00 60.65 59.12 1m16 h LYS 101 Cb 0.36 -0.30 -0.22 0.00 -0.41 0.00 0.00 32.23 31.66 1m16 h LYS 101 CO 0.00 0.88 0.01 0.72 -2.27 0.00 0.00 179.45 178.79 1m16 n HIS 102 N -4.38 1.98 -0.25 1.91 8.25 -1.14 -4.76 115.22 116.83 1m16 n HIS 102 Ca 0.12 -2.00 0.12 0.00 -0.26 0.00 0.00 57.72 55.70 1m16 n HIS 102 Cb 0.01 -0.68 0.39 0.00 1.12 0.00 0.00 29.99 30.84 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 1.39 1.86 0.00 -1.41 0.00 -0.72 -1.44 119.26 118.95 1m16 h ALA 103 Ca 0.36 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.26 1m16 h ALA 103 Cb 1.63 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 19.30 1m16 h ALA 103 CO 0.74 -0.08 -0.09 1.05 0.00 0.00 0.00 179.25 180.87 1m16 h GLU 104 N 0.66 0.00 -0.12 0.00 9.09 -1.86 -1.95 114.58 120.40 1m16 h GLU 104 Ca 0.42 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.83 1m16 h GLU 104 Cb 0.69 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.79 1m16 h GLU 104 CO -0.18 0.09 0.00 1.63 0.05 0.00 0.00 179.01 180.59 1m16 n LYS 105 N -3.97 2.02 -3.78 1.06 5.02 -0.54 -4.97 118.16 113.00 1m16 n LYS 105 Ca -0.02 -1.50 -0.27 0.00 -2.02 0.00 0.00 58.31 54.49 1m16 n LYS 105 Cb 0.18 -1.46 0.02 0.00 -0.02 0.00 0.00 35.03 33.74 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 0.78 -2.74 -4.57 4.39 4.13 -0.74 -4.93 115.26 111.58 1m16 n ASN 106 Ca 0.17 -0.97 -0.40 0.00 1.68 0.00 0.00 54.58 55.05 1m16 n ASN 106 Cb 0.46 -3.41 -0.09 0.00 -1.54 0.00 0.00 39.78 35.20 1m16 n ASN 106 CO 0.00 0.00 0.00 0.26 0.28 0.00 0.00 177.26 177.80 1m16 s TRP 107 N -3.68 3.22 0.32 3.10 0.51 -1.25 -4.69 118.94 116.47 1m16 s TRP 107 Ca 0.22 0.19 0.07 0.00 -2.12 0.00 0.00 56.10 54.46 1m16 s TRP 107 Cb -0.08 -2.70 -0.03 0.00 -0.81 0.00 0.00 33.47 29.86 1m16 s TRP 107 CO 0.86 -0.39 0.29 -0.06 -0.51 0.00 0.00 176.95 177.15 1m16 s PHE 108 N 2.14 2.96 0.02 -1.98 0.40 -1.26 -1.20 117.98 119.06 1m16 s PHE 108 Ca 0.15 -0.26 -0.27 0.00 -0.60 0.00 0.00 56.93 55.95 1m16 s PHE 108 Cb -0.16 -1.75 -0.05 0.00 0.51 0.00 0.00 43.02 41.58 1m16 s PHE 108 CO 0.11 0.23 0.85 -1.17 0.70 0.00 0.00 175.22 175.94 1m16 s LEU 109 N -3.99 4.41 0.03 -0.37 2.96 -0.27 -4.51 118.68 116.95 1m16 s LEU 109 Ca 0.40 1.52 -0.24 0.00 -0.22 0.00 0.00 54.13 55.60 1m16 s LEU 109 Cb -0.06 -3.37 0.06 0.00 0.50 0.00 0.00 46.19 43.32 1m16 s LEU 109 CO 0.27 -0.10 0.55 -0.83 -1.32 0.00 0.00 176.35 174.91 1m16 s GLY 110 N 0.40 -0.46 -0.09 7.98 0.00 -1.26 -4.50 107.32 109.40 1m16 s GLY 110 Ca 0.44 0.72 0.03 0.00 0.00 0.00 0.00 44.72 45.91 1m16 s GLY 110 CO 0.25 0.41 -0.20 1.08 0.00 0.00 0.00 173.10 174.64 1m16 s LEU 111 N -1.84 1.94 0.94 0.66 1.43 -0.69 0.46 118.68 121.59 1m16 s LEU 111 Ca -0.06 -0.48 -0.12 0.00 -1.03 0.00 0.00 54.13 52.44 1m16 s LEU 111 Cb -0.01 -1.22 0.16 0.00 0.03 0.00 0.00 46.19 45.15 1m16 s LEU 111 CO 0.00 0.11 1.09 -0.54 0.23 0.00 0.00 176.35 177.24 1m16 s LYS 112 N 0.50 0.87 0.30 1.70 1.02 0.29 -4.52 119.74 119.89 1m16 s LYS 112 Ca -0.16 0.76 0.23 0.00 0.02 0.00 0.00 55.97 56.82 1m16 s LYS 112 Cb -0.17 -1.77 1.11 0.00 -0.52 0.00 0.00 37.83 36.49 1m16 s LYS 112 CO 0.06 -2.49 1.70 1.63 -0.92 0.00 0.00 175.35 175.33 1m16 n LYS 113 N -4.05 0.17 -0.28 1.68 5.02 -1.26 -1.14 118.16 118.30 1m16 n LYS 113 Ca 0.06 0.55 0.11 0.00 -2.02 0.00 0.00 58.31 57.01 1m16 n LYS 113 Cb 0.56 -1.94 0.27 0.00 -0.02 0.00 0.00 35.03 33.90 1m16 n LYS 113 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 1m16 n ASN 114 N -2.28 3.49 0.00 4.39 0.23 -1.26 -4.57 115.26 115.26 1m16 n ASN 114 Ca 0.00 -1.98 0.00 0.00 -0.53 0.00 0.00 54.58 52.07 1m16 n ASN 114 Cb 0.13 -0.36 0.00 0.00 -2.08 0.00 0.00 39.78 37.46 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 1.54 1.58 3.79 4.83 0.00 -0.30 -4.96 105.19 111.67 1m16 n GLY 115 Ca 0.21 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.84 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 -3.26 7.29 0.42 1.61 1.04 -1.26 0.16 113.70 119.70 1m16 s SER 116 Ca 0.00 1.55 -0.25 0.00 0.48 0.00 0.00 55.95 57.73 1m16 s SER 116 Cb 0.00 -2.46 -0.08 0.00 0.10 0.00 0.00 66.02 63.57 1m16 s SER 116 CO 0.00 0.21 1.26 0.54 0.98 0.00 0.00 173.24 176.23 1m16 s VAL 117 N -1.18 2.75 0.51 5.02 0.11 -1.26 -0.55 120.40 125.79 1m16 s VAL 117 Ca 0.35 0.64 -0.10 0.00 -2.93 0.00 0.00 61.98 59.94 1m16 s VAL 117 Cb -0.22 -3.36 -0.05 0.00 -1.53 0.00 0.00 36.38 31.21 1m16 s VAL 117 CO 0.24 0.07 0.89 -0.54 -3.33 0.00 0.00 175.10 172.43 1m16 s LYS 118 N -2.34 3.69 0.02 1.54 1.02 0.17 -4.82 119.74 119.03 1m16 s LYS 118 Ca 0.59 0.56 -0.20 0.00 0.02 0.00 0.00 55.97 56.94 1m16 s LYS 118 Cb -0.36 -2.25 -0.06 0.00 -0.52 0.00 0.00 37.83 34.64 1m16 s LYS 118 CO 0.45 -0.27 0.57 1.03 -0.92 0.00 0.00 175.35 176.21 1m16 s ARG 119 N -4.50 4.25 0.26 1.68 0.52 -1.26 -4.61 118.95 115.29 1m16 s ARG 119 Ca 0.53 0.70 -0.08 0.00 -0.52 0.00 0.00 55.73 56.36 1m16 s ARG 119 Cb -0.10 -3.30 0.43 0.00 0.52 0.00 0.00 34.95 32.50 1m16 s ARG 119 CO 0.41 0.48 1.59 0.78 0.02 0.00 0.00 175.30 178.58 1m16 h GLY 120 N 5.22 0.73 2.00 -3.53 0.00 -0.89 0.55 103.07 107.15 1m16 h GLY 120 Ca -0.47 0.24 0.00 0.00 0.00 0.00 0.00 47.33 47.10 1m16 h GLY 120 CO 0.67 -0.35 0.00 -2.55 0.00 0.00 0.00 176.54 174.32 1m16 h PRO 121 N 0.02 0.00 -0.37 4.80 0.11 -1.86 -2.12 132.00 132.58 1m16 h PRO 121 Ca 0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.55 1m16 h PRO 121 Cb 0.72 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.83 1m16 h PRO 121 CO -0.86 0.00 0.00 0.54 -0.21 0.00 0.00 178.00 177.47 1m16 n ARG 122 N -2.57 2.25 -4.11 1.05 5.12 0.19 -4.92 116.66 113.68 1m16 n ARG 122 Ca -0.00 -1.90 -0.26 0.00 -1.93 0.00 0.00 57.85 53.75 1m16 n ARG 122 Cb 0.16 -1.46 -0.06 0.00 -1.16 0.00 0.00 32.46 29.93 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 -1.52 4.33 -0.09 0.55 -4.23 -0.80 -4.91 115.64 108.97 1m16 s THR 123 Ca 0.37 -1.15 -0.30 0.00 -1.18 0.00 0.00 61.69 59.43 1m16 s THR 123 Cb 0.21 -3.21 0.10 0.00 1.34 0.00 0.00 72.50 70.94 1m16 s THR 123 CO 0.29 -0.11 0.87 -1.38 -0.54 0.00 0.00 174.62 173.75 1m16 s HIS 124 N -1.75 -0.46 0.34 3.99 -3.43 -1.26 -4.82 115.29 107.90 1m16 s HIS 124 Ca 0.30 0.70 -0.27 0.00 -0.80 0.00 0.00 55.06 55.00 1m16 s HIS 124 Cb -0.10 0.46 -0.12 0.00 -1.43 0.00 0.00 32.58 31.38 1m16 s HIS 124 CO 0.22 -0.47 1.12 0.66 -2.00 0.00 0.00 174.74 174.27 1m16 n TYR 125 N 0.59 1.64 0.00 0.38 4.01 -1.26 -2.56 117.16 119.96 1m16 n TYR 125 Ca -0.13 0.61 0.00 0.00 -0.16 0.00 0.00 57.90 58.22 1m16 n TYR 125 Cb 0.59 -2.31 0.00 0.00 -0.31 0.00 0.00 39.34 37.31 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 1.03 2.80 3.83 2.72 0.00 -1.26 -5.08 105.19 109.23 1m16 n GLY 126 Ca 0.08 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.71 4.18 0.45 1.61 -0.21 -1.06 -4.97 119.66 118.95 1m16 s GLN 127 Ca 0.00 0.95 0.24 0.00 0.02 0.00 0.00 55.36 56.58 1m16 s GLN 127 Cb 0.00 -2.39 0.53 0.00 1.00 0.00 0.00 33.01 32.14 1m16 s GLN 127 CO 0.00 0.10 1.67 0.87 -2.12 0.00 0.00 175.29 175.82 1m16 h LYS 128 N 2.28 0.00 0.00 2.91 1.79 -1.98 -3.28 116.57 118.30 1m16 h LYS 128 Ca -0.48 0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 57.96 1m16 h LYS 128 Cb 1.18 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.83 1m16 h LYS 128 CO 0.63 0.04 -0.13 0.00 -1.08 0.00 0.00 179.45 178.91 1m16 h ALA 129 N 1.96 1.24 -0.00 3.86 0.00 -1.94 -2.80 119.26 121.57 1m16 h ALA 129 Ca -0.00 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1m16 h ALA 129 Cb 0.93 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.70 1m16 h ALA 129 CO 0.01 0.16 -0.24 0.44 0.00 0.00 0.00 179.25 179.61 1m16 n ILE 130 N -3.59 0.00 -3.12 0.00 -5.35 -1.24 -1.70 119.36 104.37 1m16 n ILE 130 Ca -0.02 -0.08 -0.40 0.00 -0.27 0.00 0.00 62.75 61.98 1m16 n ILE 130 Cb 0.26 0.20 -0.06 0.00 -1.74 0.00 0.00 39.64 38.30 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 -2.59 4.10 0.33 7.28 1.43 -1.06 -4.45 118.68 123.72 1m16 s LEU 131 Ca 0.23 0.77 0.06 0.00 -1.03 0.00 0.00 54.13 54.16 1m16 s LEU 131 Cb 0.19 -2.87 -0.07 0.00 0.03 0.00 0.00 46.19 43.48 1m16 s LEU 131 CO 0.54 -0.32 -0.01 -0.36 0.23 0.00 0.00 176.35 176.43 1m16 s PHE 132 N 2.20 2.15 -0.14 0.29 0.40 -0.53 -1.92 117.98 120.44 1m16 s PHE 132 Ca 0.27 -0.75 -0.05 0.00 -0.60 0.00 0.00 56.93 55.80 1m16 s PHE 132 Cb -0.16 -1.37 0.07 0.00 0.51 0.00 0.00 43.02 42.07 1m16 s PHE 132 CO 0.09 0.27 0.28 -0.51 0.70 0.00 0.00 175.22 176.05 1m16 s LEU 133 N -3.54 -0.30 -0.32 -0.37 1.43 -0.25 -1.59 118.68 113.74 1m16 s LEU 133 Ca 0.33 0.64 -0.29 0.00 -1.03 0.00 0.00 54.13 53.79 1m16 s LEU 133 Cb 0.07 0.79 -0.00 0.00 0.03 0.00 0.00 46.19 47.08 1m16 s LEU 133 CO 0.15 -0.23 1.40 -2.16 0.23 0.00 0.00 176.35 175.73 1m16 s PRO 134 N 2.36 3.78 0.04 1.29 0.04 -1.26 -1.65 135.00 139.59 1m16 s PRO 134 Ca 0.00 1.22 0.01 0.00 0.04 0.00 0.00 61.00 62.27 1m16 s PRO 134 Cb -0.12 -3.96 -0.04 0.00 0.04 0.00 0.00 34.50 30.43 1m16 s PRO 134 CO -0.09 -1.30 0.09 -0.51 0.04 0.00 0.00 177.00 175.23 1m16 s LEU 135 N 4.89 3.89 0.56 -3.56 1.43 0.10 -4.89 118.68 121.10 1m16 s LEU 135 Ca 0.61 0.09 -0.18 0.00 -1.03 0.00 0.00 54.13 53.61 1m16 s LEU 135 Cb -0.17 -2.43 -0.05 0.00 0.03 0.00 0.00 46.19 43.57 1m16 s LEU 135 CO 0.27 0.22 1.10 -2.84 0.23 0.00 0.00 176.35 175.33 1m16 s PRO 136 N -2.09 3.34 0.00 1.29 0.02 -1.26 -0.03 135.00 136.26 1m16 s PRO 136 Ca 0.27 1.46 0.27 0.00 0.02 0.00 0.00 61.00 63.03 1m16 s PRO 136 Cb -0.12 -2.02 0.92 0.00 0.02 0.00 0.00 34.50 33.30 1m16 s PRO 136 CO 0.19 -0.83 1.67 1.33 -0.33 0.00 0.00 177.00 179.03