#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2h64 h LYS 11 N 0.00 0.00 -0.00 3.23 1.63 -2.04 -1.41 116.57 117.98 2h64 h LYS 11 Ca 0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 2h64 h LYS 11 Cb 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.63 2h64 h LYS 11 CO 0.00 0.00 -0.17 -1.13 -3.45 0.00 0.00 179.45 174.70 2h64 n SER 12 N -3.78 0.65 -4.83 4.20 3.41 -1.26 -4.95 113.62 107.07 2h64 n SER 12 Ca 0.06 -0.63 -0.30 0.00 -0.26 0.00 0.00 58.87 57.73 2h64 n SER 12 Cb 0.55 -0.00 0.07 0.00 -0.26 0.00 0.00 64.21 64.57 2h64 n SER 12 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2h64 s SER 13 N -2.52 4.91 -0.02 4.04 1.04 -0.53 -0.73 113.70 119.89 2h64 s SER 13 Ca 0.26 1.33 -0.33 0.00 0.48 0.00 0.00 55.95 57.70 2h64 s SER 13 Cb 0.20 -2.12 -0.11 0.00 0.10 0.00 0.00 66.02 64.09 2h64 s SER 13 CO 0.50 -1.70 1.89 0.00 0.98 0.00 0.00 173.24 174.90 2h64 s LYS 15 N 3.87 1.47 0.25 0.00 -2.85 -0.63 -4.94 119.74 116.92 2h64 s LYS 15 Ca 0.90 -0.84 -0.27 0.00 -1.00 0.00 0.00 55.97 54.76 2h64 s LYS 15 Cb -0.60 0.49 -0.09 0.00 -2.06 0.00 0.00 37.83 35.57 2h64 s LYS 15 CO 0.47 -0.68 0.89 0.50 0.10 0.00 0.00 175.35 176.63 2h64 s ARG 16 N -3.35 4.68 0.26 1.78 3.52 -1.26 -1.82 118.95 122.76 2h64 s ARG 16 Ca 0.13 1.33 0.09 0.00 -0.13 0.00 0.00 55.73 57.15 2h64 s ARG 16 Cb -0.03 -3.11 -0.05 0.00 -1.56 0.00 0.00 34.95 30.19 2h64 s ARG 16 CO 0.05 0.45 -0.14 -1.01 -0.81 0.00 0.00 175.30 173.84 2h64 s HIS 17 N -1.32 2.01 0.44 5.12 3.76 0.11 -4.95 115.29 120.46 2h64 s HIS 17 Ca 0.43 -0.51 -0.22 0.00 -0.15 0.00 0.00 55.06 54.61 2h64 s HIS 17 Cb -0.23 -0.97 -0.09 0.00 1.11 0.00 0.00 32.58 32.40 2h64 s HIS 17 CO 0.28 0.49 1.03 -1.25 -0.85 0.00 0.00 174.74 174.44 2h64 s PRO 18 N -3.61 4.03 -0.30 8.40 0.04 -1.26 -2.05 135.00 140.24 2h64 s PRO 18 Ca 0.27 1.40 -0.09 0.00 0.04 0.00 0.00 61.00 62.63 2h64 s PRO 18 Cb -0.01 -2.32 0.18 0.00 0.04 0.00 0.00 34.50 32.39 2h64 s PRO 18 CO 0.11 -0.24 0.85 -1.17 0.04 0.00 0.00 177.00 176.60 2h64 s LEU 19 N -3.04 -0.86 -0.19 -3.56 2.96 -1.26 -4.68 118.68 108.04 2h64 s LEU 19 Ca 0.62 0.63 -0.06 0.00 -0.22 0.00 0.00 54.13 55.10 2h64 s LEU 19 Cb -0.18 1.76 -0.03 0.00 0.50 0.00 0.00 46.19 48.23 2h64 s LEU 19 CO 0.23 -0.16 0.03 -0.47 -1.32 0.00 0.00 176.35 174.66 2h64 s TYR 20 N 2.86 3.14 -0.36 5.38 5.04 -1.26 -0.33 117.35 131.81 2h64 s TYR 20 Ca 0.07 -0.15 -0.13 0.00 -2.44 0.00 0.00 57.07 54.42 2h64 s TYR 20 Cb -0.12 -2.08 -0.00 0.00 0.35 0.00 0.00 41.96 40.11 2h64 s TYR 20 CO -0.16 -0.02 0.25 0.08 -1.34 0.00 0.00 175.55 174.36 2h64 s VAL 21 N 0.65 5.19 -0.36 3.14 1.01 0.25 -4.95 120.40 125.33 2h64 s VAL 21 Ca 0.02 -0.40 -0.13 0.00 0.00 0.00 0.00 61.98 61.46 2h64 s VAL 21 Cb -0.14 -3.75 -0.01 0.00 0.00 0.00 0.00 36.38 32.49 2h64 s VAL 21 CO 0.02 -0.11 0.26 -0.62 0.00 0.00 0.00 175.10 174.65 2h64 s ASP 22 N 1.69 6.08 0.43 3.32 -1.08 -1.26 -1.32 116.67 124.53 2h64 s ASP 22 Ca 0.05 -0.52 0.10 0.00 -0.52 0.00 0.00 52.55 51.66 2h64 s ASP 22 Cb -0.18 -2.15 0.94 0.00 -1.46 0.00 0.00 42.92 40.07 2h64 s ASP 22 CO 0.10 -0.29 2.04 -0.26 0.52 0.00 0.00 175.17 177.28 2h64 h PHE 23 N 8.52 0.31 -0.63 -5.34 0.04 -1.68 -2.14 116.94 116.02 2h64 h PHE 23 Ca -0.30 -0.00 -0.07 0.00 2.80 0.00 0.00 57.97 60.39 2h64 h PHE 23 Cb 1.15 -0.10 -0.03 0.00 2.20 0.00 0.00 35.95 39.17 2h64 h PHE 23 CO 0.64 0.26 0.12 0.77 -0.60 0.00 0.00 178.31 179.50 2h64 h SER 24 N 0.32 0.99 -0.23 2.17 0.02 -1.93 0.25 113.55 115.13 2h64 h SER 24 Ca 0.08 -0.25 -0.05 0.00 -0.84 0.00 0.00 61.79 60.73 2h64 h SER 24 Cb 0.08 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.36 2h64 h SER 24 CO -0.01 0.99 -0.04 0.44 -1.14 0.00 0.00 176.83 177.07 2h64 h ASP 25 N 0.95 0.43 1.28 3.07 3.32 -1.78 -2.91 116.42 120.78 2h64 h ASP 25 Ca 0.19 -0.35 0.00 0.00 0.02 0.00 0.00 57.03 56.89 2h64 h ASP 25 Cb 0.41 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 39.84 2h64 h ASP 25 CO 0.01 0.69 0.00 -0.37 -1.72 0.00 0.00 179.24 177.85 2h64 h VAL 26 N 0.17 0.00 0.00 -1.35 -1.51 -1.38 -3.47 116.25 108.72 2h64 h VAL 26 Ca 0.06 -0.64 0.00 0.00 -1.23 0.00 0.00 66.70 64.89 2h64 h VAL 26 Cb 0.49 1.63 0.00 0.00 -2.13 0.00 0.00 31.29 31.28 2h64 h VAL 26 CO 0.02 0.00 0.00 0.61 -1.23 0.00 0.00 177.57 176.97 2h64 n GLY 27 N 0.33 0.89 1.05 5.19 0.00 0.07 -4.99 105.19 107.73 2h64 n GLY 27 Ca 0.02 -0.13 0.10 0.00 0.00 0.00 0.00 46.02 46.00 2h64 n GLY 27 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 2h64 n TRP 28 N -2.20 0.68 0.41 1.61 8.01 0.65 -4.25 117.44 122.34 2h64 n TRP 28 Ca 0.00 -0.34 0.11 0.00 -1.31 0.00 0.00 57.50 55.96 2h64 n TRP 28 Cb 0.00 0.00 0.46 0.00 -2.01 0.00 0.00 31.31 29.76 2h64 n TRP 28 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 177.69 176.95 2h64 n ASN 29 N 1.19 0.56 0.15 -0.99 6.94 -1.17 -1.02 115.26 120.91 2h64 n ASN 29 Ca 0.19 0.64 0.02 0.00 -0.02 0.00 0.00 54.58 55.41 2h64 n ASN 29 Cb 0.50 -0.75 0.17 0.00 -2.36 0.00 0.00 39.78 37.34 2h64 n ASN 29 CO 0.00 0.00 0.00 -2.24 -1.03 0.00 0.00 177.26 173.99 2h64 h ASP 30 N 0.00 0.00 0.00 0.53 3.04 -1.91 -3.34 116.42 114.74 2h64 h ASP 30 Ca 0.00 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.79 2h64 h ASP 30 Cb 0.34 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.63 2h64 h ASP 30 CO 0.00 0.55 -1.33 -2.67 -2.04 0.00 0.00 179.24 173.74 2h64 n TRP 31 N -3.50 0.00 -3.54 4.15 4.27 -0.97 -4.92 117.44 112.92 2h64 n TRP 31 Ca 0.00 0.00 -0.38 0.00 -3.89 0.00 0.00 57.50 53.23 2h64 n TRP 31 Cb 0.64 -0.18 -0.10 0.00 -1.36 0.00 0.00 31.31 30.31 2h64 n TRP 31 CO 0.00 0.00 0.00 0.42 -2.29 0.00 0.00 177.69 175.82 2h64 s ILE 32 N -2.54 5.28 -0.10 -1.67 1.01 -0.19 -0.91 121.20 122.08 2h64 s ILE 32 Ca -0.03 0.30 -0.19 0.00 0.00 0.00 0.00 60.65 60.73 2h64 s ILE 32 Cb 0.05 -3.58 -0.28 0.00 0.01 0.00 0.00 42.46 38.67 2h64 s ILE 32 CO 0.35 0.24 0.64 0.58 0.00 0.00 0.00 174.94 176.75 2h64 h VAL 33 N 5.33 1.21 -2.86 2.92 2.07 -0.55 -3.42 116.25 120.94 2h64 h VAL 33 Ca -0.34 -2.42 -0.12 0.00 0.82 0.00 0.00 66.70 64.63 2h64 h VAL 33 Cb 1.18 2.86 -0.22 0.00 -1.52 0.00 0.00 31.29 33.59 2h64 h VAL 33 CO 0.59 0.68 -0.25 0.00 0.02 0.00 0.00 177.57 178.61 2h64 s ALA 34 N -2.44 -0.92 0.88 1.67 0.00 -1.12 -4.69 121.76 115.13 2h64 s ALA 34 Ca -0.19 0.79 -0.12 0.00 0.00 0.00 0.00 51.96 52.44 2h64 s ALA 34 Cb 0.03 -0.32 0.16 0.00 0.00 0.00 0.00 23.12 22.99 2h64 s ALA 34 CO 0.77 -0.22 1.22 -1.25 0.00 0.00 0.00 175.76 176.27 2h64 s PRO 35 N -0.47 1.12 0.37 0.00 0.04 -1.26 -0.42 135.00 134.37 2h64 s PRO 35 Ca -0.06 -0.47 0.27 0.00 0.04 0.00 0.00 61.00 60.78 2h64 s PRO 35 Cb -0.04 -1.98 0.92 0.00 0.04 0.00 0.00 34.50 33.45 2h64 s PRO 35 CO 0.02 -2.04 1.78 -1.00 0.04 0.00 0.00 177.00 175.81 2h64 h PRO 36 N -1.27 0.00 0.00 0.56 0.13 -1.94 -3.47 132.00 126.00 2h64 h PRO 36 Ca -0.43 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 2h64 h PRO 36 Cb 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 2h64 h PRO 36 CO 0.44 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.62 2h64 n GLY 37 N 0.54 -1.56 3.51 1.56 0.00 -1.26 -1.71 105.19 106.26 2h64 n GLY 37 Ca 0.03 -1.06 -0.09 0.00 0.00 0.00 0.00 46.02 44.90 2h64 n GLY 37 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2h64 s TYR 38 N -2.55 -0.36 -0.52 1.61 1.13 -0.43 -4.98 117.35 111.25 2h64 s TYR 38 Ca 0.00 0.26 -0.28 0.00 -1.41 0.00 0.00 57.07 55.65 2h64 s TYR 38 Cb 0.00 0.53 0.03 0.00 -1.10 0.00 0.00 41.96 41.42 2h64 s TYR 38 CO 0.00 -0.54 1.10 -1.01 -2.51 0.00 0.00 175.55 172.59 2h64 s HIS 39 N -2.94 2.76 -0.15 -3.49 3.76 -1.26 -0.59 115.29 113.38 2h64 s HIS 39 Ca 0.04 0.49 0.03 0.00 -0.15 0.00 0.00 55.06 55.47 2h64 s HIS 39 Cb -0.01 -4.36 -0.23 0.00 1.11 0.00 0.00 32.58 29.09 2h64 s HIS 39 CO -0.08 -1.36 0.23 0.00 -0.85 0.00 0.00 174.74 172.69 2h64 n ALA 40 N 7.90 1.24 -1.08 -1.40 0.00 0.55 -4.78 120.51 122.94 2h64 n ALA 40 Ca 0.09 -0.86 0.14 0.00 0.00 0.00 0.00 53.44 52.81 2h64 n ALA 40 Cb 0.49 -0.50 -0.04 0.00 0.00 0.00 0.00 19.45 19.40 2h64 n ALA 40 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 2h64 n PHE 41 N -3.23 -2.74 -3.48 0.00 3.72 -0.58 -2.22 117.46 108.94 2h64 n PHE 41 Ca -0.33 1.39 -0.11 0.00 -0.05 0.00 0.00 57.45 58.36 2h64 n PHE 41 Cb 1.05 -2.49 -0.02 0.00 -0.94 0.00 0.00 39.48 37.08 2h64 n PHE 41 CO 0.00 0.00 0.00 1.52 -0.05 0.00 0.00 176.76 178.23 2h64 s TYR 42 N -2.33 -0.46 -0.09 1.38 -0.85 -0.87 -4.73 117.35 109.39 2h64 s TYR 42 Ca 0.00 0.25 -0.02 0.00 -0.52 0.00 0.00 57.07 56.77 2h64 s TYR 42 Cb 0.00 0.57 -0.03 0.00 0.38 0.00 0.00 41.96 42.87 2h64 s TYR 42 CO 0.00 -0.81 0.02 0.00 -1.52 0.00 0.00 175.55 173.24 2h64 s HIS 44 N -0.90 -0.60 0.00 0.00 5.04 -0.75 -4.76 115.29 113.32 2h64 s HIS 44 Ca 0.13 1.07 0.00 0.00 -1.54 0.00 0.00 55.06 54.72 2h64 s HIS 44 Cb -0.11 0.41 0.00 0.00 0.04 0.00 0.00 32.58 32.92 2h64 s HIS 44 CO 0.02 -0.53 0.00 0.41 -2.34 0.00 0.00 174.74 172.30 2h64 n GLY 45 N 1.00 4.21 3.78 1.59 0.00 -1.26 -1.60 105.19 112.90 2h64 n GLY 45 Ca -0.17 -1.58 -0.35 0.00 0.00 0.00 0.00 46.02 43.92 2h64 n GLY 45 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2h64 s GLU 46 N -3.04 3.72 -0.78 1.61 2.12 0.09 -3.91 118.70 118.51 2h64 s GLU 46 Ca 0.00 1.55 0.03 0.00 0.36 0.00 0.00 54.97 56.91 2h64 s GLU 46 Cb 0.00 -2.21 0.24 0.00 0.26 0.00 0.00 34.13 32.41 2h64 s GLU 46 CO 0.00 -0.53 0.81 0.00 -0.54 0.00 0.00 175.26 175.00 2h64 s PRO 48 N -2.07 2.25 0.20 0.00 0.04 -1.26 -4.53 135.00 129.63 2h64 s PRO 48 Ca 0.33 -0.20 -0.30 0.00 0.04 0.00 0.00 61.00 60.87 2h64 s PRO 48 Cb 0.05 -2.16 -0.08 0.00 0.04 0.00 0.00 34.50 32.34 2h64 s PRO 48 CO -0.05 -1.21 1.02 0.12 0.04 0.00 0.00 177.00 176.92 2h64 s PHE 49 N -3.25 3.76 0.51 0.56 5.36 -1.26 -4.02 117.98 119.63 2h64 s PHE 49 Ca 0.60 1.76 0.00 0.00 -0.96 0.00 0.00 56.93 58.33 2h64 s PHE 49 Cb -0.11 -3.14 0.02 0.00 -0.34 0.00 0.00 43.02 39.44 2h64 s PHE 49 CO 0.45 -0.11 0.73 -1.25 -1.46 0.00 0.00 175.22 173.59 2h64 s PRO 50 N -0.76 2.79 -0.34 10.12 0.04 -1.26 -5.11 135.00 140.49 2h64 s PRO 50 Ca 0.45 -0.61 -0.18 0.00 0.04 0.00 0.00 61.00 60.71 2h64 s PRO 50 Cb -0.28 -2.51 -0.01 0.00 0.04 0.00 0.00 34.50 31.75 2h64 s PRO 50 CO 0.34 -0.51 0.49 -0.51 0.04 0.00 0.00 177.00 176.85 2h64 s LEU 51 N -4.68 4.32 0.83 -3.56 1.43 -1.26 -5.05 118.68 110.71 2h64 s LEU 51 Ca 0.53 0.01 -0.11 0.00 -1.03 0.00 0.00 54.13 53.53 2h64 s LEU 51 Cb -0.10 -2.55 0.09 0.00 0.03 0.00 0.00 46.19 43.66 2h64 s LEU 51 CO 0.38 -0.43 1.09 0.00 0.23 0.00 0.00 176.35 177.63 2h64 s ALA 52 N 2.32 1.98 0.19 4.21 0.00 -1.26 -4.93 121.76 124.27 2h64 s ALA 52 Ca 0.18 -0.12 -0.13 0.00 0.00 0.00 0.00 51.96 51.89 2h64 s ALA 52 Cb -0.16 -3.15 0.21 0.00 0.00 0.00 0.00 23.12 20.02 2h64 s ALA 52 CO 0.13 -1.97 1.70 0.22 0.00 0.00 0.00 175.76 175.83 2h64 h ASP 53 N -1.26 -0.12 0.18 0.00 3.58 -2.03 -1.33 116.42 115.44 2h64 h ASP 53 Ca -0.48 0.11 0.00 0.00 0.42 0.00 0.00 57.03 57.08 2h64 h ASP 53 Cb 1.27 0.18 0.00 0.00 1.72 0.00 0.00 39.33 42.50 2h64 h ASP 53 CO 0.57 -0.03 0.00 0.00 -2.88 0.00 0.00 179.24 176.90 2h64 n HIS 54 N -5.18 0.00 1.32 0.28 1.44 -1.26 -1.43 115.22 110.39 2h64 n HIS 54 Ca 0.06 0.00 0.10 0.00 -2.01 0.00 0.00 57.72 55.87 2h64 n HIS 54 Cb 0.27 -0.40 0.37 0.00 0.12 0.00 0.00 29.99 30.35 2h64 n HIS 54 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 2h64 n LEU 55 N -1.40 1.41 -3.92 2.39 4.77 -0.50 -4.80 117.00 114.95 2h64 n LEU 55 Ca 0.02 -0.60 -0.28 0.00 -0.03 0.00 0.00 56.01 55.12 2h64 n LEU 55 Cb 0.06 -0.10 0.00 0.00 -2.33 0.00 0.00 43.42 41.06 2h64 n LEU 55 CO 0.06 0.30 -0.12 0.59 -1.33 0.00 0.00 177.39 176.89 2h64 n ASN 56 N 0.17 -2.18 -4.84 -1.43 4.13 -0.51 -1.67 115.26 108.92 2h64 n ASN 56 Ca 0.15 -0.80 -0.25 0.00 1.68 0.00 0.00 54.58 55.36 2h64 n ASN 56 Cb 0.28 -0.96 0.08 0.00 -1.54 0.00 0.00 39.78 37.64 2h64 n ASN 56 CO 0.00 0.00 0.00 -0.55 0.28 0.00 0.00 177.26 176.99 2h64 s SER 57 N -4.08 4.68 0.40 6.41 0.15 -1.26 -4.58 113.70 115.42 2h64 s SER 57 Ca 0.27 0.28 0.08 0.00 0.70 0.00 0.00 55.95 57.28 2h64 s SER 57 Cb -0.15 -0.88 -0.03 0.00 -1.71 0.00 0.00 66.02 63.25 2h64 s SER 57 CO 0.60 -1.66 0.33 0.42 1.20 0.00 0.00 173.24 174.13 2h64 s THR 58 N -3.22 2.74 0.25 6.45 -4.23 -1.26 -4.99 115.64 111.37 2h64 s THR 58 Ca 0.62 -1.40 -0.05 0.00 -1.18 0.00 0.00 61.69 59.67 2h64 s THR 58 Cb -0.09 -3.02 0.25 0.00 1.34 0.00 0.00 72.50 70.98 2h64 s THR 58 CO 0.44 -0.03 1.91 0.78 -0.54 0.00 0.00 174.62 177.18 2h64 h ASN 59 N 1.12 1.08 -0.46 3.99 2.35 -1.99 -1.94 115.58 119.74 2h64 h ASN 59 Ca -0.42 -0.02 -0.02 0.00 -0.55 0.00 0.00 56.30 55.30 2h64 h ASN 59 Cb 1.26 -0.25 -0.02 0.00 0.05 0.00 0.00 38.32 39.36 2h64 h ASN 59 CO 0.59 0.75 0.22 -0.74 -1.65 0.00 0.00 177.43 176.60 2h64 h HIS 60 N 1.26 0.68 -0.30 1.19 2.76 -1.99 -0.95 115.15 117.79 2h64 h HIS 60 Ca 0.38 -0.04 -0.08 0.00 -2.20 0.00 0.00 60.37 58.43 2h64 h HIS 60 Cb -0.05 -0.21 -0.02 0.00 1.55 0.00 0.00 27.41 28.69 2h64 h HIS 60 CO -0.00 0.55 -0.16 0.00 -1.30 0.00 0.00 177.93 177.02 2h64 h ALA 61 N 1.06 1.17 -0.35 5.26 0.00 -1.83 -0.60 119.26 123.97 2h64 h ALA 61 Ca 0.16 -0.30 -0.05 0.00 0.00 0.00 0.00 54.91 54.72 2h64 h ALA 61 Cb 0.13 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 2h64 h ALA 61 CO -0.02 0.53 0.02 0.82 0.00 0.00 0.00 179.25 180.60 2h64 h ILE 62 N 0.49 1.25 -0.56 0.00 2.04 -1.08 -0.52 117.51 119.13 2h64 h ILE 62 Ca 0.08 -0.92 -0.10 0.00 1.00 0.00 0.00 64.86 64.93 2h64 h ILE 62 Cb 0.55 1.17 -0.02 0.00 -0.74 0.00 0.00 36.82 37.79 2h64 h ILE 62 CO 0.04 0.31 -0.03 0.58 0.00 0.00 0.00 178.15 179.04 2h64 h VAL 63 N 0.41 1.26 -0.34 1.67 2.07 -0.91 -2.02 116.25 118.39 2h64 h VAL 63 Ca 0.10 -1.16 -0.09 0.00 0.82 0.00 0.00 66.70 66.37 2h64 h VAL 63 Cb 0.42 0.86 -0.02 0.00 -1.52 0.00 0.00 31.29 31.03 2h64 h VAL 63 CO 0.01 0.42 -0.16 -0.61 0.02 0.00 0.00 177.57 177.25 2h64 h GLN 64 N 0.91 0.61 -0.60 1.57 4.15 -0.99 -0.49 115.11 120.27 2h64 h GLN 64 Ca 0.16 -0.20 -0.07 0.00 0.77 0.00 0.00 58.65 59.30 2h64 h GLN 64 Cb 0.57 -0.05 -0.03 0.00 0.21 0.00 0.00 27.48 28.18 2h64 h GLN 64 CO 0.03 0.75 0.10 1.15 -1.93 0.00 0.00 178.83 178.93 2h64 h THR 65 N 0.55 1.25 -0.30 2.39 2.02 -0.75 -0.03 112.91 118.04 2h64 h THR 65 Ca 0.09 -0.97 -0.09 0.00 0.77 0.00 0.00 66.41 66.22 2h64 h THR 65 Cb 0.59 0.69 -0.01 0.00 -1.74 0.00 0.00 68.15 67.68 2h64 h THR 65 CO 0.04 0.36 -0.14 -0.07 0.37 0.00 0.00 175.52 176.08 2h64 h LEU 66 N 0.92 0.65 -0.45 2.58 3.38 -0.75 -2.16 115.31 119.48 2h64 h LEU 66 Ca 0.19 -0.41 0.00 0.00 0.09 0.00 0.00 57.88 57.75 2h64 h LEU 66 Cb 0.40 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 2h64 h LEU 66 CO 0.01 0.91 0.28 0.58 0.09 0.00 0.00 178.44 180.32 2h64 h VAL 67 N 0.39 1.13 -0.36 1.22 2.07 -0.88 -1.90 116.25 117.92 2h64 h VAL 67 Ca 0.07 -0.28 0.01 0.00 0.82 0.00 0.00 66.70 67.32 2h64 h VAL 67 Cb 0.67 0.50 -0.02 0.00 -1.52 0.00 0.00 31.29 30.92 2h64 h VAL 67 CO 0.04 0.13 0.24 -1.13 0.02 0.00 0.00 177.57 176.88 2h64 h ASN 68 N 0.61 0.40 0.10 0.57 -0.73 -0.93 0.66 115.58 116.25 2h64 h ASN 68 Ca 0.16 -0.01 -0.04 0.00 1.87 0.00 0.00 56.30 58.29 2h64 h ASN 68 Cb -0.03 -0.10 -0.01 0.00 0.27 0.00 0.00 38.32 38.45 2h64 h ASN 68 CO -0.03 0.29 -0.13 -1.28 -0.37 0.00 0.00 177.43 175.90 2h64 h SER 69 N 0.47 0.08 0.07 1.15 0.87 -0.67 -3.09 113.55 112.44 2h64 h SER 69 Ca 0.14 -0.01 -0.35 0.00 -1.23 0.00 0.00 61.79 60.33 2h64 h SER 69 Cb -0.02 -0.02 -0.03 0.00 -0.44 0.00 0.00 62.40 61.88 2h64 h SER 69 CO -0.03 0.23 -1.97 0.52 -0.53 0.00 0.00 176.83 175.05 2h64 n VAL 70 N -4.34 1.67 -3.79 2.23 0.31 -0.33 -4.82 118.33 109.26 2h64 n VAL 70 Ca -0.02 -0.49 -0.30 0.00 -0.01 0.00 0.00 64.34 63.52 2h64 n VAL 70 Cb 0.23 -1.76 -0.15 0.00 -0.91 0.00 0.00 33.84 31.25 2h64 n VAL 70 CO 0.00 0.00 0.00 0.21 -1.32 0.00 0.00 176.83 175.72 2h64 s ASN 71 N -6.95 4.16 0.20 4.52 2.47 0.22 -4.99 114.94 114.56 2h64 s ASN 71 Ca -0.27 -1.82 0.12 0.00 0.42 0.00 0.00 52.86 51.31 2h64 s ASN 71 Cb 0.07 -1.04 0.65 0.00 -1.45 0.00 0.00 41.25 39.49 2h64 s ASN 71 CO 0.69 -0.40 1.33 -1.20 -3.72 0.00 0.00 177.10 173.80 2h64 n SER 72 N 4.63 0.31 0.24 -4.21 7.64 -1.17 -1.28 113.62 119.78 2h64 n SER 72 Ca 0.00 0.61 0.12 0.00 1.01 0.00 0.00 58.87 60.61 2h64 n SER 72 Cb 0.41 -0.63 0.55 0.00 -1.01 0.00 0.00 64.21 63.53 2h64 n SER 72 CO 0.00 0.00 0.00 0.07 -3.01 0.00 0.00 175.04 172.10 2h64 h LYS 73 N 0.00 0.00 -5.47 1.43 2.10 -1.93 -3.40 116.57 109.30 2h64 h LYS 73 Ca 0.00 0.00 -0.61 0.00 -2.00 0.00 0.00 60.65 58.04 2h64 h LYS 73 Cb 0.14 0.00 -0.11 0.00 -0.90 0.00 0.00 32.23 31.36 2h64 h LYS 73 CO 0.00 0.15 0.05 0.42 -2.00 0.00 0.00 179.45 178.07 2h64 s ILE 74 N -3.71 5.05 0.75 0.07 -1.09 -0.41 -5.05 121.20 116.82 2h64 s ILE 74 Ca 0.00 1.00 -0.14 0.00 -2.23 0.00 0.00 60.65 59.29 2h64 s ILE 74 Cb 0.10 -3.87 0.05 0.00 -1.58 0.00 0.00 42.46 37.16 2h64 s ILE 74 CO 0.60 0.09 1.17 -2.16 -1.23 0.00 0.00 174.94 173.41 2h64 s PRO 75 N 2.16 2.06 0.85 2.79 0.04 -1.26 -4.36 135.00 137.28 2h64 s PRO 75 Ca 0.24 1.60 -0.12 0.00 0.04 0.00 0.00 61.00 62.77 2h64 s PRO 75 Cb -0.16 -1.84 0.10 0.00 0.04 0.00 0.00 34.50 32.64 2h64 s PRO 75 CO 0.09 -1.86 1.10 0.15 0.04 0.00 0.00 177.00 176.52 2h64 s LYS 76 N -4.17 1.68 0.91 4.56 1.02 -1.26 -4.76 119.74 117.71 2h64 s LYS 76 Ca 0.70 0.72 -0.11 0.00 0.02 0.00 0.00 55.97 57.30 2h64 s LYS 76 Cb -0.25 -1.87 0.14 0.00 -0.52 0.00 0.00 37.83 35.33 2h64 s LYS 76 CO 0.48 -1.92 1.09 0.00 -0.92 0.00 0.00 175.35 174.08 2h64 s ALA 77 N -3.06 1.42 0.03 5.17 0.00 -1.26 -5.01 121.76 119.06 2h64 s ALA 77 Ca 0.62 0.10 0.03 0.00 0.00 0.00 0.00 51.96 52.71 2h64 s ALA 77 Cb -0.16 -3.26 -0.04 0.00 0.00 0.00 0.00 23.12 19.67 2h64 s ALA 77 CO 0.55 -2.49 -0.03 0.00 0.00 0.00 0.00 175.76 173.79 2h64 s VAL 80 N 3.77 0.08 0.27 0.00 -7.23 -0.41 -4.45 120.40 112.43 2h64 s VAL 80 Ca 0.43 -1.88 -0.30 0.00 -1.81 0.00 0.00 61.98 58.42 2h64 s VAL 80 Cb -0.11 -2.12 -0.10 0.00 0.56 0.00 0.00 36.38 34.61 2h64 s VAL 80 CO 0.21 -0.35 1.38 -2.84 -0.31 0.00 0.00 175.10 173.19 2h64 s PRO 81 N -4.06 4.30 0.00 4.82 0.02 -1.26 -1.12 135.00 137.70 2h64 s PRO 81 Ca 0.26 2.25 0.00 0.00 0.02 0.00 0.00 61.00 63.54 2h64 s PRO 81 Cb 0.07 -3.11 -0.00 0.00 0.02 0.00 0.00 34.50 31.48 2h64 s PRO 81 CO 0.04 -0.33 0.22 0.25 -0.33 0.00 0.00 177.00 176.84 2h64 n THR 82 N 1.87 0.00 -3.67 0.99 -2.24 0.00 -4.81 114.28 106.42 2h64 n THR 82 Ca 0.05 -0.49 -0.10 0.00 -2.27 0.00 0.00 64.05 61.23 2h64 n THR 82 Cb 0.41 1.00 -0.10 0.00 -2.10 0.00 0.00 70.33 69.54 2h64 n THR 82 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 2h64 s GLU 83 N -0.64 0.32 0.15 -0.78 2.12 -1.16 -4.95 118.70 113.76 2h64 s GLU 83 Ca 0.00 0.92 0.08 0.00 0.36 0.00 0.00 54.97 56.34 2h64 s GLU 83 Cb 0.00 0.18 -0.04 0.00 0.26 0.00 0.00 34.13 34.53 2h64 s GLU 83 CO 0.01 -0.23 -0.18 -0.51 -0.54 0.00 0.00 175.26 173.82 2h64 s LEU 84 N 2.21 2.42 0.37 2.70 1.43 -1.26 -0.39 118.68 126.16 2h64 s LEU 84 Ca -0.04 -0.84 0.06 0.00 -1.03 0.00 0.00 54.13 52.28 2h64 s LEU 84 Cb -0.11 -0.78 -0.07 0.00 0.03 0.00 0.00 46.19 45.26 2h64 s LEU 84 CO -0.12 -0.05 0.02 -0.94 0.23 0.00 0.00 176.35 175.49 2h64 s SER 85 N -2.56 3.26 0.26 2.29 1.04 0.13 -4.72 113.70 113.40 2h64 s SER 85 Ca 0.14 -1.35 0.07 0.00 0.48 0.00 0.00 55.95 55.28 2h64 s SER 85 Cb -0.06 -0.27 -0.03 0.00 0.10 0.00 0.00 66.02 65.76 2h64 s SER 85 CO 0.06 -0.48 0.24 0.00 0.98 0.00 0.00 173.24 174.03 2h64 s ALA 86 N -2.93 3.68 0.04 5.32 0.00 -1.26 -0.67 121.76 125.93 2h64 s ALA 86 Ca 0.35 -1.40 0.01 0.00 0.00 0.00 0.00 51.96 50.92 2h64 s ALA 86 Cb 0.09 -1.38 -0.03 0.00 0.00 0.00 0.00 23.12 21.80 2h64 s ALA 86 CO 0.17 0.23 -0.06 0.96 0.00 0.00 0.00 175.76 177.05 2h64 s ILE 87 N -2.12 0.43 0.09 0.00 -4.36 -0.90 -4.90 121.20 109.44 2h64 s ILE 87 Ca 0.34 -1.16 -0.20 0.00 -0.26 0.00 0.00 60.65 59.36 2h64 s ILE 87 Cb -0.08 -0.68 -0.07 0.00 1.25 0.00 0.00 42.46 42.88 2h64 s ILE 87 CO 0.26 -0.49 0.61 -0.44 0.24 0.00 0.00 174.94 175.11 2h64 s SER 88 N -1.77 7.13 0.05 4.36 0.01 -1.26 -1.12 113.70 121.09 2h64 s SER 88 Ca -0.08 1.34 0.03 0.00 1.31 0.00 0.00 55.95 58.54 2h64 s SER 88 Cb -0.08 -2.39 -0.02 0.00 0.21 0.00 0.00 66.02 63.74 2h64 s SER 88 CO -0.01 0.26 -0.10 -0.04 0.41 0.00 0.00 173.24 173.76 2h64 s MET 89 N -1.11 0.63 -0.17 12.44 1.00 -0.34 -4.37 119.30 127.37 2h64 s MET 89 Ca 0.30 -0.80 0.01 0.00 0.00 0.00 0.00 55.69 55.20 2h64 s MET 89 Cb -0.20 -0.48 0.02 0.00 0.00 0.00 0.00 34.83 34.17 2h64 s MET 89 CO 0.20 0.10 -0.16 -1.17 0.00 0.00 0.00 175.02 173.99 2h64 s LEU 90 N -1.57 1.98 0.27 -0.03 2.96 0.43 -1.59 118.68 121.14 2h64 s LEU 90 Ca -0.07 -0.62 0.03 0.00 -0.22 0.00 0.00 54.13 53.26 2h64 s LEU 90 Cb -0.10 -1.33 -0.03 0.00 0.50 0.00 0.00 46.19 45.23 2h64 s LEU 90 CO 0.01 -0.04 0.22 -0.72 -1.32 0.00 0.00 176.35 174.50 2h64 s TYR 91 N 1.38 1.47 -0.20 5.38 1.13 0.09 0.17 117.35 126.78 2h64 s TYR 91 Ca 0.04 -1.53 -0.05 0.00 -1.41 0.00 0.00 57.07 54.12 2h64 s TYR 91 Cb -0.13 -0.63 -0.03 0.00 -1.10 0.00 0.00 41.96 40.07 2h64 s TYR 91 CO -0.11 -0.77 0.01 -0.51 -2.51 0.00 0.00 175.55 171.65 2h64 s LEU 92 N -3.27 3.32 0.00 -3.49 1.43 -0.09 0.10 118.68 116.68 2h64 s LEU 92 Ca 0.40 -0.17 -0.10 0.00 -1.03 0.00 0.00 54.13 53.23 2h64 s LEU 92 Cb 0.04 -1.84 0.14 0.00 0.03 0.00 0.00 46.19 44.56 2h64 s LEU 92 CO 0.20 0.07 0.71 -0.90 0.23 0.00 0.00 176.35 176.67 2h64 n ASP 93 N 4.19 -0.42 0.25 2.29 5.68 0.27 -4.83 116.55 123.97 2h64 n ASP 93 Ca -0.17 -1.16 0.13 0.00 -0.50 0.00 0.00 54.79 53.09 2h64 n ASP 93 Cb 0.52 -0.57 0.79 0.00 -1.14 0.00 0.00 41.12 40.72 2h64 n ASP 93 CO 0.00 0.00 0.00 -0.08 -1.33 0.00 0.00 177.20 175.79 2h64 h GLU 94 N 0.00 0.00 -0.71 0.11 4.81 -2.00 -0.95 114.58 115.84 2h64 h GLU 94 Ca -0.24 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.99 2h64 h GLU 94 Cb 0.68 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.06 2h64 h GLU 94 CO 0.16 0.00 0.00 0.09 -0.73 0.00 0.00 179.01 178.53 2h64 n ASN 95 N -4.13 2.48 -2.18 1.04 5.03 -1.26 -4.86 115.26 111.38 2h64 n ASN 95 Ca -0.02 -2.27 -0.18 0.00 0.87 0.00 0.00 54.58 52.99 2h64 n ASN 95 Cb 0.15 -0.48 -0.03 0.00 -1.02 0.00 0.00 39.78 38.40 2h64 n ASN 95 CO 0.00 0.00 0.00 1.21 -1.83 0.00 0.00 177.26 176.64 2h64 n GLU 96 N 0.25 -1.75 -3.75 3.52 4.07 -0.36 -4.96 120.64 117.66 2h64 n GLU 96 Ca 0.10 0.92 -0.37 0.00 -0.06 0.00 0.00 57.16 57.75 2h64 n GLU 96 Cb 0.52 -5.48 -0.06 0.00 -0.06 0.00 0.00 31.44 26.36 2h64 n GLU 96 CO 0.00 0.00 0.00 0.21 -0.06 0.00 0.00 177.13 177.28 2h64 s LYS 97 N -4.65 3.63 -0.01 5.31 2.20 -1.26 -4.82 119.74 120.14 2h64 s LYS 97 Ca 0.00 0.04 -0.30 0.00 -0.36 0.00 0.00 55.97 55.35 2h64 s LYS 97 Cb 0.00 -3.21 -0.03 0.00 -1.51 0.00 0.00 37.83 33.08 2h64 s LYS 97 CO 0.00 0.72 0.98 0.08 -0.36 0.00 0.00 175.35 176.77 2h64 s VAL 98 N -0.96 4.87 -0.02 4.02 1.01 -1.26 -0.57 120.40 127.49 2h64 s VAL 98 Ca 0.17 2.05 0.03 0.00 0.00 0.00 0.00 61.98 64.23 2h64 s VAL 98 Cb -0.13 -4.31 -0.00 0.00 0.00 0.00 0.00 36.38 31.93 2h64 s VAL 98 CO 0.07 0.15 -0.12 -0.69 0.00 0.00 0.00 175.10 174.51 2h64 s VAL 99 N 1.06 1.00 -0.16 2.92 1.01 0.12 -4.96 120.40 121.38 2h64 s VAL 99 Ca 0.52 -0.50 -0.02 0.00 0.00 0.00 0.00 61.98 61.97 2h64 s VAL 99 Cb -0.21 -0.86 -0.02 0.00 0.00 0.00 0.00 36.38 35.29 2h64 s VAL 99 CO 0.27 0.30 -0.07 -0.75 0.00 0.00 0.00 175.10 174.84 2h64 s LYS 100 N 0.01 3.50 -0.06 2.72 2.36 -1.26 -0.73 119.74 126.28 2h64 s LYS 100 Ca -0.01 -0.60 -0.04 0.00 -2.55 0.00 0.00 55.97 52.76 2h64 s LYS 100 Cb -0.08 -2.82 0.02 0.00 -1.05 0.00 0.00 37.83 33.90 2h64 s LYS 100 CO 0.01 0.14 0.14 0.21 1.55 0.00 0.00 175.35 177.40 2h64 s LYS 101 N 0.58 0.15 -0.75 4.03 2.20 -0.62 -5.01 119.74 120.32 2h64 s LYS 101 Ca -0.05 0.24 -0.19 0.00 -0.36 0.00 0.00 55.97 55.62 2h64 s LYS 101 Cb -0.15 0.02 0.13 0.00 -1.51 0.00 0.00 37.83 36.31 2h64 s LYS 101 CO 0.03 -0.06 0.90 -0.51 -0.36 0.00 0.00 175.35 175.35 2h64 s ASP 102 N 0.36 6.42 -0.02 1.43 1.01 -1.26 -1.19 116.67 123.41 2h64 s ASP 102 Ca -0.02 -1.77 -0.30 0.00 0.71 0.00 0.00 52.55 51.17 2h64 s ASP 102 Cb -0.04 -2.34 -0.06 0.00 1.01 0.00 0.00 42.92 41.50 2h64 s ASP 102 CO -0.01 -1.07 1.54 -0.31 0.21 0.00 0.00 175.17 175.53 2h64 s TYR 103 N 2.51 2.44 0.59 4.23 2.02 -0.28 -4.85 117.35 124.02 2h64 s TYR 103 Ca 0.21 0.50 -0.08 0.00 -0.37 0.00 0.00 57.07 57.33 2h64 s TYR 103 Cb -0.14 -3.81 -0.02 0.00 -0.40 0.00 0.00 41.96 37.59 2h64 s TYR 103 CO -0.01 -3.20 0.95 -0.65 -1.57 0.00 0.00 175.55 171.07 2h64 s GLN 104 N 3.13 3.33 -1.51 -0.62 -1.52 -1.26 -2.12 119.66 119.08 2h64 s GLN 104 Ca 0.69 0.40 -0.11 0.00 -1.95 0.00 0.00 55.36 54.39 2h64 s GLN 104 Cb -0.33 -2.19 0.08 0.00 -0.22 0.00 0.00 33.01 30.34 2h64 s GLN 104 CO 0.28 -0.57 0.83 -0.25 -0.25 0.00 0.00 175.29 175.33 2h64 n ASP 105 N -2.62 -3.34 -0.09 5.90 8.00 -1.23 -4.90 116.55 118.27 2h64 n ASP 105 Ca 0.04 -0.86 -0.11 0.00 0.71 0.00 0.00 54.79 54.58 2h64 n ASP 105 Cb 0.56 -3.59 -0.15 0.00 -0.02 0.00 0.00 41.12 37.91 2h64 n ASP 105 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04 2h64 n MET 106 N -4.52 0.68 -5.00 -1.24 2.81 0.15 -4.88 117.12 105.12 2h64 n MET 106 Ca -0.05 0.05 -0.32 0.00 -1.81 0.00 0.00 57.70 55.56 2h64 n MET 106 Cb 0.56 -1.56 -0.15 0.00 -0.71 0.00 0.00 33.22 31.36 2h64 n MET 106 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 2h64 s VAL 107 N -2.51 2.58 -0.19 2.03 1.01 -0.05 -4.73 120.40 118.54 2h64 s VAL 107 Ca -0.11 -0.84 -0.29 0.00 0.00 0.00 0.00 61.98 60.73 2h64 s VAL 107 Cb 0.06 -2.03 -0.01 0.00 0.00 0.00 0.00 36.38 34.40 2h64 s VAL 107 CO 0.81 0.55 1.24 -0.69 0.00 0.00 0.00 175.10 177.01 2h64 s VAL 108 N 0.21 4.31 -0.21 2.92 1.01 -0.94 0.18 120.40 127.88 2h64 s VAL 108 Ca -0.11 1.57 0.11 0.00 0.00 0.00 0.00 61.98 63.54 2h64 s VAL 108 Cb -0.16 -4.05 -0.20 0.00 0.00 0.00 0.00 36.38 31.97 2h64 s VAL 108 CO 0.06 -0.18 -0.05 -0.62 0.00 0.00 0.00 175.10 174.32 2h64 n GLU 109 N 6.66 0.79 -3.83 2.72 -0.58 0.48 -4.90 120.64 121.99 2h64 n GLU 109 Ca 0.14 0.05 -0.12 0.00 -0.42 0.00 0.00 57.16 56.81 2h64 n GLU 109 Cb 0.45 -1.48 -0.11 0.00 -0.57 0.00 0.00 31.44 29.73 2h64 n GLU 109 CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 2h64 s GLY 110 N -5.73 -0.06 0.07 0.62 0.00 -0.95 -4.98 107.32 96.29 2h64 s GLY 110 Ca -0.19 0.22 0.07 0.00 0.00 0.00 0.00 44.72 44.82 2h64 s GLY 110 CO 0.68 0.10 -0.12 0.00 0.00 0.00 0.00 173.10 173.76 2h64 s GLY 112 N -1.89 1.15 -0.22 0.00 0.00 -0.28 -4.68 107.32 101.41 2h64 s GLY 112 Ca 0.19 -1.29 -0.08 0.00 0.00 0.00 0.00 44.72 43.54 2h64 s GLY 112 CO 0.10 -0.82 0.08 0.00 0.00 0.00 0.00 173.10 172.46