#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1urk n VAL 7 N 0.00 0.37 0.65 5.09 3.14 -1.26 -4.88 118.33 121.43 1urk n VAL 7 Ca 0.00 -3.89 0.08 0.00 -2.96 0.00 0.00 64.34 57.57 1urk n VAL 7 Cb 0.00 0.16 0.38 0.00 -1.06 0.00 0.00 33.84 33.31 1urk n VAL 7 CO 0.00 0.00 0.00 -0.81 -6.46 0.00 0.00 176.83 169.56 1urk n PRO 8 N 0.12 0.09 -2.71 1.45 -0.04 -1.26 -3.89 135.00 128.77 1urk n PRO 8 Ca 0.18 0.19 -0.07 0.00 -0.04 0.00 0.00 63.50 63.75 1urk n PRO 8 Cb 0.73 -1.50 0.10 0.00 -0.04 0.00 0.00 33.50 32.79 1urk n PRO 8 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1urk n SER 9 N -1.42 -2.01 -2.93 3.54 2.88 -1.26 -5.05 113.62 107.36 1urk n SER 9 Ca 0.05 -2.97 -0.11 0.00 -1.33 0.00 0.00 58.87 54.52 1urk n SER 9 Cb 0.17 1.49 -0.02 0.00 -0.75 0.00 0.00 64.21 65.10 1urk n SER 9 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 1urk n ASN 10 N -0.01 -2.59 -0.80 -3.46 5.15 -1.25 -5.14 115.26 107.15 1urk n ASN 10 Ca -0.00 -2.79 0.00 0.00 -0.60 0.00 0.00 54.58 51.19 1urk n ASN 10 Cb 0.75 1.11 0.00 0.00 -0.53 0.00 0.00 39.78 41.11 1urk n ASN 10 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1urk s ASP 12 N -0.45 4.18 0.41 0.00 1.11 -1.26 -5.00 116.67 115.67 1urk s ASP 12 Ca 0.00 -0.57 0.00 0.00 0.18 0.00 0.00 52.55 52.16 1urk s ASP 12 Cb 0.00 -0.69 0.00 0.00 1.07 0.00 0.00 42.92 43.30 1urk s ASP 12 CO 0.00 0.12 0.00 0.00 1.18 0.00 0.00 175.17 176.47 1urk n LEU 14 N -0.69 0.00 -1.74 0.00 -0.00 0.86 -4.39 117.00 111.03 1urk n LEU 14 Ca 0.00 0.00 -0.19 0.00 -0.00 0.00 0.00 56.01 55.82 1urk n LEU 14 Cb 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 43.42 43.37 1urk n LEU 14 CO 0.00 0.00 -0.21 0.59 -0.00 0.00 0.00 177.39 177.77 1urk n ASN 15 N 0.00 -5.38 0.00 1.45 3.02 -1.26 -1.61 115.26 111.48 1urk n ASN 15 Ca 0.00 0.28 0.00 0.00 -0.03 0.00 0.00 54.58 54.83 1urk n ASN 15 Cb 0.00 -4.50 0.00 0.00 -0.61 0.00 0.00 39.78 34.67 1urk n ASN 15 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1urk n GLY 16 N -0.78 1.19 3.74 7.41 0.00 -1.26 -5.01 105.19 110.48 1urk n GLY 16 Ca -0.20 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.40 1urk n GLY 16 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1urk s GLY 17 N -2.00 2.39 0.07 -0.02 0.00 -0.63 -4.81 107.32 102.31 1urk s GLY 17 Ca 0.00 1.18 -0.17 0.00 0.00 0.00 0.00 44.72 45.72 1urk s GLY 17 CO 0.00 2.15 0.53 -1.59 0.00 0.00 0.00 173.10 174.19 1urk s THR 18 N 0.13 4.82 -0.08 0.90 2.01 -1.05 -4.81 115.64 117.56 1urk s THR 18 Ca 0.58 1.06 -0.11 0.00 0.31 0.00 0.00 61.69 63.53 1urk s THR 18 Cb -0.38 -3.83 -0.05 0.00 0.01 0.00 0.00 72.50 68.25 1urk s THR 18 CO 0.39 0.51 0.27 0.00 -0.69 0.00 0.00 174.62 175.10 1urk n VAL 20 N 2.20 0.00 -3.15 0.00 0.24 -1.25 -4.97 118.33 111.40 1urk n VAL 20 Ca -0.16 -2.42 0.06 0.00 -2.04 0.00 0.00 64.34 59.78 1urk n VAL 20 Cb 0.53 0.89 -0.01 0.00 -1.47 0.00 0.00 33.84 33.78 1urk n VAL 20 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 1urk s SER 21 N -3.53 -0.10 0.00 -1.34 1.04 -1.26 -4.10 113.70 104.41 1urk s SER 21 Ca 0.22 0.04 0.00 0.00 0.48 0.00 0.00 55.95 56.69 1urk s SER 21 Cb 0.01 1.07 0.00 0.00 0.10 0.00 0.00 66.02 67.21 1urk s SER 21 CO 0.16 -0.02 0.00 -3.20 0.98 0.00 0.00 173.24 171.16 1urk n ASN 22 N 5.32 0.00 0.00 7.02 5.15 -1.24 -5.00 115.26 126.51 1urk n ASN 22 Ca -0.02 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.96 1urk n ASN 22 Cb 0.56 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.81 1urk n ASN 22 CO 0.00 0.00 0.00 1.17 1.40 0.00 0.00 177.26 179.83 1urk n LYS 23 N 0.00 0.00 -1.01 1.20 4.81 -1.26 -4.86 118.16 117.05 1urk n LYS 23 Ca 0.00 0.00 -0.22 0.00 -0.87 0.00 0.00 58.31 57.22 1urk n LYS 23 Cb 0.00 0.00 0.06 0.00 0.02 0.00 0.00 35.03 35.11 1urk n LYS 23 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 1urk n TYR 24 N -0.23 2.06 -1.13 5.64 4.01 -1.26 -3.76 117.16 122.48 1urk n TYR 24 Ca 0.00 -2.21 0.00 0.00 -0.16 0.00 0.00 57.90 55.53 1urk n TYR 24 Cb 0.00 -1.07 0.00 0.00 -0.31 0.00 0.00 39.34 37.96 1urk n TYR 24 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 1urk n PHE 25 N -0.09 0.00 0.00 -0.72 -0.00 -1.26 -5.04 117.46 110.35 1urk n PHE 25 Ca 0.40 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.85 1urk n PHE 25 Cb 0.66 0.01 0.00 0.00 -0.00 0.00 0.00 39.48 40.16 1urk n PHE 25 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.76 177.19 1urk n SER 26 N 0.00 0.00 -3.01 -2.13 7.64 -1.25 -4.42 113.62 110.45 1urk n SER 26 Ca 0.00 0.00 -0.15 0.00 1.01 0.00 0.00 58.87 59.73 1urk n SER 26 Cb 0.51 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.68 1urk n SER 26 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 1urk n ASN 27 N 3.95 -1.91 -4.85 6.43 5.15 -1.26 -4.99 115.26 117.77 1urk n ASN 27 Ca 0.00 -2.80 -0.33 0.00 -0.60 0.00 0.00 54.58 50.86 1urk n ASN 27 Cb 0.00 0.72 -0.06 0.00 -0.53 0.00 0.00 39.78 39.91 1urk n ASN 27 CO 0.00 0.00 0.00 -0.51 1.40 0.00 0.00 177.26 178.15 1urk s ILE 28 N 0.27 5.09 -0.30 -1.44 -1.16 -1.26 -5.08 121.20 117.32 1urk s ILE 28 Ca 0.32 -0.33 -0.12 0.00 -0.51 0.00 0.00 60.65 60.01 1urk s ILE 28 Cb 0.08 -3.38 0.15 0.00 0.61 0.00 0.00 42.46 39.92 1urk s ILE 28 CO -0.14 0.29 0.81 -1.38 -2.81 0.00 0.00 174.94 171.72 1urk s HIS 29 N -1.31 -1.03 -0.05 3.50 -3.43 -1.26 -3.66 115.29 108.06 1urk s HIS 29 Ca 0.27 1.75 -0.00 0.00 -0.80 0.00 0.00 55.06 56.28 1urk s HIS 29 Cb -0.12 0.61 0.03 0.00 -1.43 0.00 0.00 32.58 31.66 1urk s HIS 29 CO 0.18 -0.51 -0.01 1.67 -2.00 0.00 0.00 174.74 174.08 1urk s TRP 30 N 2.69 0.54 1.18 0.38 -2.14 -1.26 -5.02 118.94 115.31 1urk s TRP 30 Ca -0.04 -0.09 -0.13 0.00 2.66 0.00 0.00 56.10 58.50 1urk s TRP 30 Cb -0.09 -0.63 0.30 0.00 -3.10 0.00 0.00 33.47 29.95 1urk s TRP 30 CO -0.18 -0.22 1.02 0.00 -2.66 0.00 0.00 176.95 174.91 1urk n ASN 32 N -5.01 -0.33 -4.87 0.00 5.15 0.51 -4.89 115.26 105.82 1urk n ASN 32 Ca 0.03 -2.90 -0.35 0.00 -0.60 0.00 0.00 54.58 50.76 1urk n ASN 32 Cb 0.54 -0.11 -0.05 0.00 -0.53 0.00 0.00 39.78 39.63 1urk n ASN 32 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1urk n PRO 34 N 0.99 -0.09 0.26 0.00 -0.02 -1.26 -4.81 135.00 130.07 1urk n PRO 34 Ca -0.09 0.00 0.14 0.00 -2.02 0.00 0.00 63.50 61.53 1urk n PRO 34 Cb 0.52 -1.58 0.69 0.00 -0.02 0.00 0.00 33.50 33.12 1urk n PRO 34 CO 0.00 0.00 0.00 1.57 1.98 0.00 0.00 175.50 179.05 1urk h LYS 35 N -1.12 0.00 0.00 -0.52 2.10 -2.01 -1.66 116.57 113.36 1urk h LYS 35 Ca -0.44 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.21 1urk h LYS 35 Cb 1.31 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.64 1urk h LYS 35 CO 0.33 0.11 0.00 0.36 -2.00 0.00 0.00 179.45 178.25 1urk n LYS 36 N -3.38 0.11 -4.01 0.07 2.85 -1.26 -4.65 118.16 107.89 1urk n LYS 36 Ca -0.01 0.42 -0.23 0.00 -1.05 0.00 0.00 58.31 57.44 1urk n LYS 36 Cb 0.29 -1.74 -0.03 0.00 -0.65 0.00 0.00 35.03 32.90 1urk n LYS 36 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 177.40 177.29 1urk s PHE 37 N -3.23 3.35 -0.10 5.58 0.08 -0.63 -0.45 117.98 122.58 1urk s PHE 37 Ca 0.04 -0.01 -0.31 0.00 0.12 0.00 0.00 56.93 56.77 1urk s PHE 37 Cb 0.08 -1.55 0.10 0.00 -0.57 0.00 0.00 43.02 41.08 1urk s PHE 37 CO 0.29 0.49 1.38 0.20 -0.10 0.00 0.00 175.22 177.47 1urk s GLY 38 N -3.67 -0.23 0.00 4.36 0.00 -0.15 -4.68 107.32 102.96 1urk s GLY 38 Ca 0.33 0.20 0.00 0.00 0.00 0.00 0.00 44.72 45.25 1urk s GLY 38 CO 0.27 6.73 0.00 0.61 0.00 0.00 0.00 173.10 180.71 1urk n GLY 39 N -0.97 0.20 4.97 0.20 0.00 -1.26 0.20 105.19 108.54 1urk n GLY 39 Ca 0.06 -0.91 0.00 0.00 0.00 0.00 0.00 46.02 45.17 1urk n GLY 39 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1urk n GLN 40 N 2.16 0.00 -1.79 1.61 3.00 -1.26 0.62 117.38 121.72 1urk n GLN 40 Ca 0.00 0.00 -0.38 0.00 -0.01 0.00 0.00 57.00 56.61 1urk n GLN 40 Cb 0.00 0.00 0.03 0.00 0.00 0.00 0.00 30.24 30.27 1urk n GLN 40 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.06 177.78 1urk n HIS 41 N 0.00 2.83 -3.90 1.08 8.25 -1.26 -4.76 115.22 117.46 1urk n HIS 41 Ca 0.00 -2.35 -0.39 0.00 -0.26 0.00 0.00 57.72 54.72 1urk n HIS 41 Cb 0.00 -1.24 0.03 0.00 1.12 0.00 0.00 29.99 29.90 1urk n HIS 41 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1urk n GLU 43 N -4.50 3.06 -3.83 0.00 0.28 0.29 -2.43 120.64 113.50 1urk n GLU 43 Ca -0.12 -4.03 -0.11 0.00 -0.16 0.00 0.00 57.16 52.74 1urk n GLU 43 Cb 0.58 -2.08 -0.09 0.00 1.43 0.00 0.00 31.44 31.29 1urk n GLU 43 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 177.13 177.39 1urk s ILE 44 N -4.48 0.09 -0.98 3.84 1.01 0.55 -4.86 121.20 116.36 1urk s ILE 44 Ca 0.44 -0.74 -0.15 0.00 0.00 0.00 0.00 60.65 60.20 1urk s ILE 44 Cb 0.39 -0.70 0.19 0.00 0.01 0.00 0.00 42.46 42.35 1urk s ILE 44 CO -0.01 -0.41 1.07 -0.62 0.00 0.00 0.00 174.94 174.97 1urk s ASP 45 N -1.72 6.87 0.62 3.58 -1.08 -1.26 -0.97 116.67 122.71 1urk s ASP 45 Ca -0.10 -2.69 -0.17 0.00 -0.52 0.00 0.00 52.55 49.07 1urk s ASP 45 Cb -0.04 -2.31 -0.07 0.00 -1.46 0.00 0.00 42.92 39.04 1urk s ASP 45 CO -0.00 -0.72 0.54 0.29 0.52 0.00 0.00 175.17 175.79 1urk n LYS 46 N 4.92 0.46 0.00 4.34 5.02 0.40 -4.98 118.16 128.32 1urk n LYS 46 Ca 0.23 0.19 0.00 0.00 -2.02 0.00 0.00 58.31 56.71 1urk n LYS 46 Cb 0.46 -1.76 0.00 0.00 -0.02 0.00 0.00 35.03 33.71 1urk n LYS 46 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1urk n SER 47 N 0.22 0.78 -4.26 4.39 2.88 -1.26 -4.89 113.62 111.48 1urk n SER 47 Ca 0.11 0.00 -0.25 0.00 -1.33 0.00 0.00 58.87 57.40 1urk n SER 47 Cb 0.48 0.00 -0.14 0.00 -0.75 0.00 0.00 64.21 63.81 1urk n SER 47 CO 0.00 0.00 0.00 -0.75 -1.23 0.00 0.00 175.04 173.06 1urk s LYS 48 N 4.73 1.28 0.00 -1.46 2.47 -1.26 -5.06 119.74 120.43 1urk s LYS 48 Ca 0.00 -1.00 0.00 0.00 -1.56 0.00 0.00 55.97 53.41 1urk s LYS 48 Cb 0.00 -1.44 0.00 0.00 -1.46 0.00 0.00 37.83 34.93 1urk s LYS 48 CO 0.00 0.36 0.00 -2.37 0.16 0.00 0.00 175.35 173.50 1urk n THR 49 N 1.60 0.00 -3.79 3.43 5.66 -1.26 -5.06 114.28 114.86 1urk n THR 49 Ca -0.18 0.00 -0.13 0.00 -3.05 0.00 0.00 64.05 60.69 1urk n THR 49 Cb 0.53 0.00 -0.13 0.00 -1.55 0.00 0.00 70.33 69.19 1urk n THR 49 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1urk s TYR 51 N 0.33 1.73 -0.64 0.00 1.13 -1.26 -4.78 117.35 113.86 1urk s TYR 51 Ca -0.02 0.57 0.00 0.00 -1.41 0.00 0.00 57.07 56.22 1urk s TYR 51 Cb -0.03 -3.67 0.41 0.00 -1.10 0.00 0.00 41.96 37.58 1urk s TYR 51 CO -0.01 -2.80 1.77 0.39 -2.51 0.00 0.00 175.55 172.39 1urk n GLU 52 N -3.98 2.96 -1.66 -3.49 1.02 -1.26 -3.79 120.64 110.43 1urk n GLU 52 Ca 0.11 -3.68 0.00 0.00 -0.02 0.00 0.00 57.16 53.57 1urk n GLU 52 Cb 0.59 -2.28 0.00 0.00 -0.02 0.00 0.00 31.44 29.74 1urk n GLU 52 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1urk n GLY 53 N -0.70 -4.66 3.32 0.62 0.00 -1.26 -4.80 105.19 97.71 1urk n GLY 53 Ca 0.54 -0.69 -0.16 0.00 0.00 0.00 0.00 46.02 45.70 1urk n GLY 53 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1urk n ASN 54 N -1.07 -6.13 0.00 1.61 6.94 0.01 -4.92 115.26 111.69 1urk n ASN 54 Ca 0.00 0.18 0.00 0.00 -0.02 0.00 0.00 54.58 54.74 1urk n ASN 54 Cb 0.05 -1.61 0.00 0.00 -2.36 0.00 0.00 39.78 35.86 1urk n ASN 54 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1urk n GLY 55 N 0.69 0.00 5.36 4.83 0.00 -1.26 -5.05 105.19 109.76 1urk n GLY 55 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.98 1urk n GLY 55 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1urk n HIS 56 N -1.55 0.00 -1.49 1.61 -0.00 -1.26 -4.16 115.22 108.37 1urk n HIS 56 Ca 0.00 0.00 -0.32 0.00 0.46 0.00 0.00 57.72 57.86 1urk n HIS 56 Cb 0.27 0.00 0.07 0.00 -0.12 0.00 0.00 29.99 30.21 1urk n HIS 56 CO 0.00 0.00 0.00 1.97 0.46 0.00 0.00 176.34 178.77 1urk n PHE 57 N 0.00 3.11 -0.19 1.57 1.16 -1.26 -4.44 117.46 117.41 1urk n PHE 57 Ca 0.00 -2.83 -0.15 0.00 -1.87 0.00 0.00 57.45 52.61 1urk n PHE 57 Cb 0.00 -1.19 0.14 0.00 -1.61 0.00 0.00 39.48 36.82 1urk n PHE 57 CO 0.00 0.00 0.00 2.48 -1.87 0.00 0.00 176.76 177.37 1urk n TYR 58 N -0.88 -2.62 -1.36 2.97 0.18 -1.26 -4.97 117.16 109.22 1urk n TYR 58 Ca 0.58 -0.31 0.02 0.00 1.88 0.00 0.00 57.90 60.07 1urk n TYR 58 Cb 0.75 -0.75 0.02 0.00 -0.38 0.00 0.00 39.34 38.98 1urk n TYR 58 CO 0.00 0.00 0.00 0.54 -2.08 0.00 0.00 176.86 175.32 1urk n ARG 59 N -3.11 0.52 0.00 -3.48 3.00 -1.26 -5.01 116.66 107.31 1urk n ARG 59 Ca 0.07 -1.17 0.00 0.00 -0.01 0.00 0.00 57.85 56.73 1urk n ARG 59 Cb 0.29 -0.72 0.00 0.00 0.00 0.00 0.00 32.46 32.03 1urk n ARG 59 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1urk n GLY 60 N -0.29 1.29 0.00 -0.13 0.00 -1.26 -4.85 105.19 99.95 1urk n GLY 60 Ca 0.03 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.04 1urk n GLY 60 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1urk n LYS 61 N 0.00 0.00 -2.58 1.61 4.81 -1.26 -4.83 118.16 115.90 1urk n LYS 61 Ca 0.00 0.00 -0.09 0.00 -0.87 0.00 0.00 58.31 57.35 1urk n LYS 61 Cb 0.00 0.00 0.04 0.00 0.02 0.00 0.00 35.03 35.09 1urk n LYS 61 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1urk n ALA 62 N -3.00 -1.37 0.33 3.14 0.00 -1.26 -4.92 120.51 113.43 1urk n ALA 62 Ca 0.00 0.03 0.13 0.00 0.00 0.00 0.00 53.44 53.60 1urk n ALA 62 Cb 0.00 -2.61 0.32 0.00 0.00 0.00 0.00 19.45 17.16 1urk n ALA 62 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1urk h SER 63 N -0.77 0.00 -4.12 0.00 0.02 -1.91 -3.44 113.55 103.33 1urk h SER 63 Ca -0.32 0.00 -0.53 0.00 -0.84 0.00 0.00 61.79 60.10 1urk h SER 63 Cb 1.17 0.00 0.12 0.00 0.14 0.00 0.00 62.40 63.83 1urk h SER 63 CO 0.25 0.00 0.45 0.42 -1.14 0.00 0.00 176.83 176.81 1urk s THR 64 N -3.26 2.61 0.00 -2.27 -4.23 -1.25 -4.08 115.64 103.15 1urk s THR 64 Ca 0.07 0.36 0.00 0.00 -1.18 0.00 0.00 61.69 60.93 1urk s THR 64 Cb 0.08 -3.07 0.00 0.00 1.34 0.00 0.00 72.50 70.85 1urk s THR 64 CO 0.62 -0.11 0.00 -0.90 -0.54 0.00 0.00 174.62 173.69 1urk n ASP 65 N -1.88 0.00 -1.20 3.99 5.68 -0.78 -4.00 116.55 118.35 1urk n ASP 65 Ca 0.13 0.00 -0.04 0.00 -0.50 0.00 0.00 54.79 54.39 1urk n ASP 65 Cb 0.50 0.00 0.08 0.00 -1.14 0.00 0.00 41.12 40.55 1urk n ASP 65 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 1urk n THR 66 N -0.86 1.35 0.00 2.12 -2.24 -1.26 -3.14 114.28 110.25 1urk n THR 66 Ca 0.00 -0.51 0.00 0.00 -2.27 0.00 0.00 64.05 61.27 1urk n THR 66 Cb 0.00 -0.70 0.00 0.00 -2.10 0.00 0.00 70.33 67.53 1urk n THR 66 CO 0.00 0.00 0.00 0.23 -0.57 0.00 0.00 175.07 174.73 1urk n MET 67 N 0.08 0.34 0.00 -0.78 2.81 -1.26 -4.82 117.12 113.49 1urk n MET 67 Ca 0.14 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 56.03 1urk n MET 67 Cb 0.73 -0.81 0.00 0.00 -0.71 0.00 0.00 33.22 32.43 1urk n MET 67 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1urk n GLY 68 N 2.66 0.71 3.77 3.03 0.00 -1.24 -5.12 105.19 109.00 1urk n GLY 68 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 1urk n GLY 68 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1urk s ARG 69 N 0.00 3.51 0.00 1.61 0.52 -1.26 -4.78 118.95 118.55 1urk s ARG 69 Ca 0.00 1.64 0.18 0.00 -0.52 0.00 0.00 55.73 57.03 1urk s ARG 69 Cb 0.00 -2.13 0.99 0.00 0.52 0.00 0.00 34.95 34.33 1urk s ARG 69 CO 0.00 -0.73 1.50 -0.35 0.02 0.00 0.00 175.30 175.74 1urk n PRO 70 N -1.03 0.42 -1.11 3.54 -0.04 -1.26 -1.87 135.00 133.65 1urk n PRO 70 Ca 0.10 0.05 0.15 0.00 -0.04 0.00 0.00 63.50 63.76 1urk n PRO 70 Cb 0.50 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.41 1urk n PRO 70 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1urk s LEU 72 N -6.42 4.17 0.20 0.00 1.43 -0.80 -4.93 118.68 112.33 1urk s LEU 72 Ca 0.00 0.35 -0.32 0.00 -1.03 0.00 0.00 54.13 53.13 1urk s LEU 72 Cb 0.00 -2.74 -0.15 0.00 0.03 0.00 0.00 46.19 43.33 1urk s LEU 72 CO 0.00 -0.45 1.29 -2.65 0.23 0.00 0.00 176.35 174.77 1urk n PRO 73 N 5.80 1.59 0.16 1.29 -0.02 -1.26 -4.55 135.00 138.01 1urk n PRO 73 Ca -0.02 0.57 0.15 0.00 -2.02 0.00 0.00 63.50 62.17 1urk n PRO 73 Cb 0.49 -2.15 0.51 0.00 -0.02 0.00 0.00 33.50 32.33 1urk n PRO 73 CO 0.00 0.00 0.00 -1.49 1.98 0.00 0.00 175.50 175.99 1urk h TRP 74 N 3.85 0.00 -0.05 6.00 4.06 -1.65 0.41 115.95 128.57 1urk h TRP 74 Ca -0.44 0.00 -0.21 0.00 2.06 0.00 0.00 58.89 60.30 1urk h TRP 74 Cb 1.31 0.00 0.01 0.00 -1.00 0.00 0.00 29.16 29.48 1urk h TRP 74 CO 0.55 0.00 -0.79 -2.95 -3.56 0.00 0.00 178.44 171.69 1urk h ASN 75 N 0.00 0.78 0.00 -3.49 7.08 -1.65 -3.20 115.58 115.11 1urk h ASN 75 Ca 0.15 -0.71 -0.49 0.00 -3.08 0.00 0.00 56.30 52.17 1urk h ASN 75 Cb 1.58 -0.24 -0.04 0.00 -2.08 0.00 0.00 38.32 37.55 1urk h ASN 75 CO -0.00 1.38 1.05 -0.24 -2.08 0.00 0.00 177.43 177.53 1urk n SER 76 N -4.02 0.44 -0.36 6.14 2.88 0.14 -4.30 113.62 114.54 1urk n SER 76 Ca -0.10 0.38 0.29 0.00 -1.33 0.00 0.00 58.87 58.11 1urk n SER 76 Cb 0.76 -0.65 0.46 0.00 -0.75 0.00 0.00 64.21 64.03 1urk n SER 76 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1urk n ALA 77 N 6.06 1.00 0.28 -1.46 0.00 -1.26 0.06 120.51 125.18 1urk n ALA 77 Ca 0.42 0.49 -0.13 0.00 0.00 0.00 0.00 53.44 54.22 1urk n ALA 77 Cb -0.01 -0.69 -0.07 0.00 0.00 0.00 0.00 19.45 18.68 1urk n ALA 77 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1urk h THR 78 N 0.00 0.00 -0.56 0.00 2.02 -1.93 -0.44 112.91 112.00 1urk h THR 78 Ca 0.57 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.72 1urk h THR 78 Cb 2.03 0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 68.41 1urk h THR 78 CO -0.18 0.00 0.23 1.62 0.37 0.00 0.00 175.52 177.56 1urk h VAL 79 N -0.79 1.22 -0.89 3.16 3.04 -0.66 0.14 116.25 121.47 1urk h VAL 79 Ca -0.07 -0.68 0.26 0.00 -1.01 0.00 0.00 66.70 65.20 1urk h VAL 79 Cb 0.64 0.63 -0.04 0.00 -2.01 0.00 0.00 31.29 30.51 1urk h VAL 79 CO 0.06 0.26 0.83 -0.07 -1.01 0.00 0.00 177.57 177.65 1urk h LEU 80 N 0.76 0.00 0.21 3.16 3.38 -1.05 0.92 115.31 122.69 1urk h LEU 80 Ca 0.19 0.00 -0.31 0.00 0.09 0.00 0.00 57.88 57.85 1urk h LEU 80 Cb 0.19 0.00 0.02 0.00 0.09 0.00 0.00 40.66 40.97 1urk h LEU 80 CO -0.02 0.00 -1.43 -0.61 0.09 0.00 0.00 178.44 176.47 1urk h GLN 81 N 0.00 0.44 0.00 1.13 4.15 0.75 -3.46 115.11 118.12 1urk h GLN 81 Ca 0.42 -0.75 0.00 0.00 0.77 0.00 0.00 58.65 59.09 1urk h GLN 81 Cb 2.07 0.28 0.00 0.00 0.21 0.00 0.00 27.48 30.04 1urk h GLN 81 CO -0.00 1.36 0.00 1.04 -1.93 0.00 0.00 178.83 179.29 1urk n GLN 82 N -3.78 2.13 0.00 1.69 1.13 0.32 -5.05 117.38 113.81 1urk n GLN 82 Ca -0.19 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 54.87 1urk n GLN 82 Cb 1.03 0.00 0.00 0.00 0.11 0.00 0.00 30.24 31.38 1urk n GLN 82 CO 0.00 0.00 0.00 2.41 -1.44 0.00 0.00 177.06 178.03 1urk n THR 83 N -0.05 0.00 -1.16 5.09 -1.04 -1.26 -4.74 114.28 111.12 1urk n THR 83 Ca 0.00 0.00 -0.25 0.00 -2.04 0.00 0.00 64.05 61.76 1urk n THR 83 Cb 0.00 0.00 -0.14 0.00 -1.82 0.00 0.00 70.33 68.37 1urk n THR 83 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 1urk n TYR 84 N 0.00 0.23 -0.61 -1.42 4.01 -1.26 -4.51 117.16 113.60 1urk n TYR 84 Ca 0.00 0.16 0.00 0.00 -0.16 0.00 0.00 57.90 57.90 1urk n TYR 84 Cb 0.00 -1.17 0.00 0.00 -0.31 0.00 0.00 39.34 37.86 1urk n TYR 84 CO 0.00 0.00 0.00 -2.39 -0.46 0.00 0.00 176.86 174.01 1urk n HIS 85 N 6.34 0.00 -0.86 -0.72 1.44 -1.26 -4.88 115.22 115.28 1urk n HIS 85 Ca 0.52 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 56.23 1urk n HIS 85 Cb 0.06 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.17 1urk n HIS 85 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1urk n ALA 86 N -0.03 -0.03 0.00 1.59 0.00 -1.26 -3.78 120.51 117.00 1urk n ALA 86 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1urk n ALA 86 Cb 0.15 -0.22 0.00 0.00 0.00 0.00 0.00 19.45 19.38 1urk n ALA 86 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1urk n HIS 87 N -0.47 0.00 -4.65 0.00 8.25 -1.26 -4.73 115.22 112.35 1urk n HIS 87 Ca 0.00 0.00 -0.29 0.00 -0.26 0.00 0.00 57.72 57.17 1urk n HIS 87 Cb 0.22 0.00 -0.09 0.00 1.12 0.00 0.00 29.99 31.24 1urk n HIS 87 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 1urk s ARG 88 N 0.00 2.03 0.00 -0.41 0.52 -1.26 -4.99 118.95 114.84 1urk s ARG 88 Ca 0.00 -2.23 0.21 0.00 -0.52 0.00 0.00 55.73 53.19 1urk s ARG 88 Cb 0.00 -1.39 1.24 0.00 0.52 0.00 0.00 34.95 35.32 1urk s ARG 88 CO 0.00 -0.25 1.80 0.45 0.02 0.00 0.00 175.30 177.32 1urk n SER 89 N -1.11 0.03 0.00 0.23 2.88 -1.26 -3.23 113.62 111.16 1urk n SER 89 Ca -0.11 -1.35 0.00 0.00 -1.33 0.00 0.00 58.87 56.08 1urk n SER 89 Cb 0.67 -0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.13 1urk n SER 89 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 1urk n ASP 90 N -0.80 0.00 -0.04 -3.46 8.00 -1.26 -4.77 116.55 114.21 1urk n ASP 90 Ca 0.16 -1.00 0.13 0.00 0.71 0.00 0.00 54.79 54.79 1urk n ASP 90 Cb 0.08 0.00 0.48 0.00 -0.02 0.00 0.00 41.12 41.66 1urk n ASP 90 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1urk n ALA 91 N 0.00 2.90 0.20 2.24 0.00 -1.20 -3.44 120.51 121.20 1urk n ALA 91 Ca 0.00 -0.24 0.12 0.00 0.00 0.00 0.00 53.44 53.31 1urk n ALA 91 Cb 0.45 -1.30 0.09 0.00 0.00 0.00 0.00 19.45 18.68 1urk n ALA 91 CO 0.00 0.00 0.00 1.37 0.00 0.00 0.00 177.50 178.87 1urk h LEU 92 N 0.21 0.00 -0.82 0.00 -0.00 -1.86 -3.19 115.31 109.65 1urk h LEU 92 Ca 0.00 -0.02 0.00 0.00 -0.00 0.00 0.00 57.88 57.86 1urk h LEU 92 Cb 0.46 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.12 1urk h LEU 92 CO 0.00 0.01 0.00 1.67 -0.00 0.00 0.00 178.44 180.12 1urk n GLN 93 N -2.77 1.52 -0.01 0.17 0.00 -1.22 -3.37 117.38 111.70 1urk n GLN 93 Ca 0.02 -0.81 0.04 0.00 -0.00 0.00 0.00 57.00 56.25 1urk n GLN 93 Cb 0.53 -1.22 -0.07 0.00 0.00 0.00 0.00 30.24 29.48 1urk n GLN 93 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 1urk n LEU 94 N 0.12 0.00 -0.43 1.69 4.77 -1.20 -5.02 117.00 116.92 1urk n LEU 94 Ca 0.09 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.07 1urk n LEU 94 Cb 0.20 0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.31 1urk n LEU 94 CO 0.07 0.02 0.00 0.61 -1.33 0.00 0.00 177.39 176.76 1urk n GLY 95 N 2.03 0.91 0.00 -0.72 0.00 -1.22 -4.74 105.19 101.46 1urk n GLY 95 Ca -0.03 -0.51 0.00 0.00 0.00 0.00 0.00 46.02 45.48 1urk n GLY 95 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1urk n LEU 96 N -0.43 0.00 0.00 0.99 4.77 -1.24 -5.06 117.00 116.03 1urk n LEU 96 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1urk n LEU 96 Cb 0.39 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.48 1urk n LEU 96 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.67 1urk n GLY 97 N 5.00 -0.13 2.64 -0.72 0.00 -1.26 -4.96 105.19 105.76 1urk n GLY 97 Ca 0.00 -0.54 -0.29 0.00 0.00 0.00 0.00 46.02 45.19 1urk n GLY 97 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1urk n LYS 98 N 0.00 3.04 -4.09 1.61 4.01 -1.26 -3.52 118.16 117.94 1urk n LYS 98 Ca 0.00 -4.73 -0.11 0.00 -0.51 0.00 0.00 58.31 52.96 1urk n LYS 98 Cb 0.00 -2.28 -0.07 0.00 -0.51 0.00 0.00 35.03 32.17 1urk n LYS 98 CO 0.00 0.00 0.00 -3.38 -1.11 0.00 0.00 177.40 172.91 1urk s HIS 99 N -2.92 0.79 -0.65 2.13 -3.43 -1.26 -4.86 115.29 105.10 1urk s HIS 99 Ca 0.42 -1.07 0.16 0.00 -0.80 0.00 0.00 55.06 53.77 1urk s HIS 99 Cb 0.19 -0.15 0.65 0.00 -1.43 0.00 0.00 32.58 31.83 1urk s HIS 99 CO -0.05 -0.88 1.56 0.27 -2.00 0.00 0.00 174.74 173.65 1urk n ASN 100 N -0.50 4.57 -4.67 7.38 6.94 -1.26 -2.24 115.26 125.48 1urk n ASN 100 Ca 0.00 -2.66 -0.42 0.00 -0.02 0.00 0.00 54.58 51.48 1urk n ASN 100 Cb 0.63 -0.56 -0.03 0.00 -2.36 0.00 0.00 39.78 37.47 1urk n ASN 100 CO 0.00 0.00 0.00 -0.31 -1.03 0.00 0.00 177.26 175.92 1urk s TYR 101 N -2.23 2.16 0.30 -2.53 1.51 -1.26 -4.67 117.35 110.63 1urk s TYR 101 Ca 0.47 0.29 -0.29 0.00 -1.01 0.00 0.00 57.07 56.53 1urk s TYR 101 Cb 0.33 -3.89 -0.10 0.00 -0.11 0.00 0.00 41.96 38.19 1urk s TYR 101 CO 0.17 -3.67 1.33 0.00 -1.11 0.00 0.00 175.55 172.28 1urk s ARG 103 N -1.38 1.72 -0.39 0.00 6.06 -1.10 -4.84 118.95 119.02 1urk s ARG 103 Ca 0.51 -2.00 0.11 0.00 -2.50 0.00 0.00 55.73 51.86 1urk s ARG 103 Cb -0.40 -0.50 0.34 0.00 0.06 0.00 0.00 34.95 34.45 1urk s ARG 103 CO 0.50 -0.38 0.73 -1.71 -2.50 0.00 0.00 175.30 171.94 1urk n ASN 104 N -0.96 1.01 0.18 -2.12 2.85 -1.26 -0.27 115.26 114.69 1urk n ASN 104 Ca -0.03 -3.03 0.06 0.00 -0.11 0.00 0.00 54.58 51.48 1urk n ASN 104 Cb 0.65 -0.62 0.54 0.00 1.24 0.00 0.00 39.78 41.60 1urk n ASN 104 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 1urk h PRO 105 N 3.09 0.16 -4.59 1.20 0.11 -1.93 -3.37 132.00 126.66 1urk h PRO 105 Ca 0.10 -0.01 -0.71 0.00 0.11 0.00 0.00 66.00 65.48 1urk h PRO 105 Cb 0.93 -0.03 -0.20 0.00 0.11 0.00 0.00 31.00 31.81 1urk h PRO 105 CO 0.52 0.15 0.11 0.34 -0.21 0.00 0.00 178.00 178.91 1urk s ASP 106 N -6.95 6.23 -0.05 -2.05 -1.08 -1.26 -4.92 116.67 106.60 1urk s ASP 106 Ca -0.06 -1.56 -0.00 0.00 -0.52 0.00 0.00 52.55 50.41 1urk s ASP 106 Cb 0.17 -2.29 -0.02 0.00 -1.46 0.00 0.00 42.92 39.32 1urk s ASP 106 CO 0.70 -1.06 0.12 -3.20 0.52 0.00 0.00 175.17 172.25 1urk n ASN 107 N 6.11 -0.11 0.00 -0.34 2.85 -1.26 -4.78 115.26 117.73 1urk n ASN 107 Ca -0.08 -0.06 0.00 0.00 -0.11 0.00 0.00 54.58 54.34 1urk n ASN 107 Cb 0.43 -0.04 0.00 0.00 1.24 0.00 0.00 39.78 41.41 1urk n ASN 107 CO 0.00 0.00 0.00 -1.14 -2.11 0.00 0.00 177.26 174.01 1urk n ARG 108 N 0.36 3.44 -0.12 1.20 0.63 -1.26 -5.09 116.66 115.81 1urk n ARG 108 Ca 0.03 0.00 -0.26 0.00 -0.92 0.00 0.00 57.85 56.70 1urk n ARG 108 Cb 0.02 0.00 -0.09 0.00 0.45 0.00 0.00 32.46 32.84 1urk n ARG 108 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 1urk n ARG 109 N 0.00 0.52 -4.43 -0.14 1.74 -1.26 -4.81 116.66 108.28 1urk n ARG 109 Ca 0.00 0.23 -0.25 0.00 -0.77 0.00 0.00 57.85 57.06 1urk n ARG 109 Cb 0.00 -1.38 -0.10 0.00 -1.02 0.00 0.00 32.46 29.95 1urk n ARG 109 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 1urk s ARG 110 N -2.47 1.69 -0.02 5.56 3.00 -1.26 -0.81 118.95 124.63 1urk s ARG 110 Ca -0.34 -1.64 -0.30 0.00 0.00 0.00 0.00 55.73 53.44 1urk s ARG 110 Cb 0.13 -1.84 -0.05 0.00 0.00 0.00 0.00 34.95 33.19 1urk s ARG 110 CO 0.43 0.36 1.46 -1.25 0.00 0.00 0.00 175.30 176.30 1urk s PRO 111 N -3.21 4.25 0.27 3.54 0.04 -1.26 -4.78 135.00 133.85 1urk s PRO 111 Ca 0.27 2.01 0.08 0.00 0.04 0.00 0.00 61.00 63.39 1urk s PRO 111 Cb -0.06 -3.68 -0.04 0.00 0.04 0.00 0.00 34.50 30.76 1urk s PRO 111 CO 0.14 -0.66 0.19 1.67 0.04 0.00 0.00 177.00 178.37 1urk s TRP 112 N 2.87 3.00 0.00 0.56 1.48 0.62 0.83 118.94 128.30 1urk s TRP 112 Ca 0.66 -0.17 -0.01 0.00 -1.06 0.00 0.00 56.10 55.51 1urk s TRP 112 Cb -0.31 -1.46 -0.01 0.00 -1.16 0.00 0.00 33.47 30.53 1urk s TRP 112 CO 0.26 0.46 0.01 0.00 -4.06 0.00 0.00 176.95 173.63 1urk s TYR 114 N -0.67 1.46 -0.11 0.00 1.51 -1.26 -1.87 117.35 116.41 1urk s TYR 114 Ca -0.07 1.46 -0.03 0.00 -1.01 0.00 0.00 57.07 57.42 1urk s TYR 114 Cb -0.05 -3.66 -0.03 0.00 -0.11 0.00 0.00 41.96 38.11 1urk s TYR 114 CO -0.00 -1.38 0.01 0.54 -1.11 0.00 0.00 175.55 173.61 1urk s VAL 115 N 13.41 4.36 0.03 0.71 0.11 -0.51 -1.90 120.40 136.62 1urk s VAL 115 Ca 0.81 -0.21 -0.34 0.00 -2.93 0.00 0.00 61.98 59.30 1urk s VAL 115 Cb -0.08 -2.87 -0.12 0.00 -1.53 0.00 0.00 36.38 31.78 1urk s VAL 115 CO 0.08 0.57 1.77 0.00 -3.33 0.00 0.00 175.10 174.18 1urk n GLN 116 N 2.58 2.27 -0.71 1.54 6.02 -1.26 -0.57 117.38 127.24 1urk n GLN 116 Ca -0.18 0.83 0.08 0.00 -0.01 0.00 0.00 57.00 57.71 1urk n GLN 116 Cb 0.53 -2.65 0.36 0.00 1.02 0.00 0.00 30.24 29.50 1urk n GLN 116 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 1urk n VAL 117 N 4.46 2.14 0.00 5.09 0.31 -1.04 -4.82 118.33 124.47 1urk n VAL 117 Ca 0.20 -1.21 0.00 0.00 -0.01 0.00 0.00 64.34 63.32 1urk n VAL 117 Cb 0.31 -0.08 0.00 0.00 -0.91 0.00 0.00 33.84 33.15 1urk n VAL 117 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1urk n GLY 118 N 0.87 1.00 0.02 2.92 0.00 -1.26 -4.80 105.19 103.94 1urk n GLY 118 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.27 1urk n GLY 118 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1urk n LEU 119 N 0.00 0.00 -3.77 0.99 -0.00 -1.26 -5.13 117.00 107.83 1urk n LEU 119 Ca 0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 56.01 55.88 1urk n LEU 119 Cb 0.00 0.01 -0.12 0.00 -0.00 0.00 0.00 43.42 43.30 1urk n LEU 119 CO 0.00 -0.01 -0.10 -1.59 -0.00 0.00 0.00 177.39 175.69 1urk s LYS 120 N -1.02 0.26 -0.76 1.47 -2.85 -1.26 -5.07 119.74 110.50 1urk s LYS 120 Ca 0.00 0.41 -0.24 0.00 -1.00 0.00 0.00 55.97 55.15 1urk s LYS 120 Cb 0.00 0.04 -0.16 0.00 -2.06 0.00 0.00 37.83 35.65 1urk s LYS 120 CO 0.00 -0.08 2.42 -2.30 0.10 0.00 0.00 175.35 175.48 1urk n PRO 121 N 3.44 0.54 -3.57 1.78 -0.02 -1.26 -2.51 135.00 133.40 1urk n PRO 121 Ca -0.17 -0.32 -0.36 0.00 -2.02 0.00 0.00 63.50 60.63 1urk n PRO 121 Cb 0.56 -2.85 -0.06 0.00 -0.02 0.00 0.00 33.50 31.14 1urk n PRO 121 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1urk s LEU 122 N 10.70 4.41 -0.11 2.45 0.20 0.27 -4.53 118.68 132.07 1urk s LEU 122 Ca 1.08 0.85 -0.29 0.00 0.69 0.00 0.00 54.13 56.45 1urk s LEU 122 Cb -0.43 -2.72 -0.04 0.00 -0.43 0.00 0.00 46.19 42.57 1urk s LEU 122 CO 0.28 0.26 1.50 0.68 -0.29 0.00 0.00 176.35 178.79 1urk s VAL 123 N -1.22 3.85 -0.23 1.68 -7.23 -1.26 -1.43 120.40 114.57 1urk s VAL 123 Ca 0.27 1.03 -0.02 0.00 -1.81 0.00 0.00 61.98 61.45 1urk s VAL 123 Cb -0.15 -3.68 0.01 0.00 0.56 0.00 0.00 36.38 33.12 1urk s VAL 123 CO 0.15 -0.11 -0.08 -1.10 -0.31 0.00 0.00 175.10 173.64 1urk s GLN 124 N 3.89 3.05 -0.83 4.82 1.11 -0.78 -4.77 119.66 126.16 1urk s GLN 124 Ca 0.66 -0.83 -0.23 0.00 0.01 0.00 0.00 55.36 54.98 1urk s GLN 124 Cb -0.28 -2.92 -0.18 0.00 -1.01 0.00 0.00 33.01 28.63 1urk s GLN 124 CO 0.24 -0.29 2.32 0.39 0.01 0.00 0.00 175.29 177.96 1urk n GLU 125 N 4.70 0.42 -1.64 2.91 1.02 -1.26 -2.13 120.64 124.66 1urk n GLU 125 Ca -0.18 -0.78 -0.65 0.00 -0.02 0.00 0.00 57.16 55.53 1urk n GLU 125 Cb 0.49 -3.25 -0.10 0.00 -0.02 0.00 0.00 31.44 28.56 1urk n GLU 125 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1urk n MET 127 N 4.92 -1.75 0.00 0.00 0.00 -1.19 -4.52 117.12 114.59 1urk n MET 127 Ca 0.36 -0.49 0.00 0.00 0.00 0.00 0.00 57.70 57.56 1urk n MET 127 Cb -0.04 -1.71 0.00 0.00 0.00 0.00 0.00 33.22 31.48 1urk n MET 127 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 175.97 177.52 1urk n VAL 128 N -4.50 0.00 -2.65 3.17 3.14 -1.26 -4.89 118.33 111.34 1urk n VAL 128 Ca 0.01 0.00 -0.32 0.00 -2.96 0.00 0.00 64.34 61.07 1urk n VAL 128 Cb 0.61 0.00 -0.04 0.00 -1.06 0.00 0.00 33.84 33.35 1urk n VAL 128 CO 0.00 0.00 0.00 -2.28 -6.46 0.00 0.00 176.83 168.09 1urk s HIS 129 N -0.24 3.42 0.31 1.45 2.46 -1.26 -5.03 115.29 116.40 1urk s HIS 129 Ca 0.00 1.38 0.06 0.00 0.47 0.00 0.00 55.06 56.97 1urk s HIS 129 Cb 0.00 -2.70 -0.02 0.00 -0.13 0.00 0.00 32.58 29.73 1urk s HIS 129 CO 0.00 -0.21 0.40 0.34 -2.47 0.00 0.00 174.74 172.80 1urk s ASP 130 N -2.83 5.95 0.15 9.88 -1.08 -1.26 -4.60 116.67 122.87 1urk s ASP 130 Ca 0.57 -0.16 0.10 0.00 -0.52 0.00 0.00 52.55 52.54 1urk s ASP 130 Cb -0.10 -1.37 -0.04 0.00 -1.46 0.00 0.00 42.92 39.95 1urk s ASP 130 CO 0.26 -0.30 -0.24 0.00 0.52 0.00 0.00 175.17 175.41 1urk h ALA 132 N 3.58 0.15 -3.97 0.00 0.00 -1.99 -3.47 119.26 113.56 1urk h ALA 132 Ca -0.48 -0.82 -0.04 0.00 0.00 0.00 0.00 54.91 53.57 1urk h ALA 132 Cb 1.19 0.02 0.04 0.00 0.00 0.00 0.00 17.79 19.04 1urk h ALA 132 CO 0.44 0.88 -0.15 -3.47 0.00 0.00 0.00 179.25 176.94 1urk n ASP 133 N -3.64 -4.13 -2.63 0.00 -0.08 -1.26 -4.94 116.55 99.88 1urk n ASP 133 Ca -0.09 -0.14 -0.36 0.00 -1.51 0.00 0.00 54.79 52.69 1urk n ASP 133 Cb 0.97 -2.59 0.05 0.00 2.34 0.00 0.00 41.12 41.89 1urk n ASP 133 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1urk n GLY 134 N -1.35 5.53 0.66 0.27 0.00 -1.26 -5.29 105.19 103.75 1urk n GLY 134 Ca -0.01 -2.32 0.08 0.00 0.00 0.00 0.00 46.02 43.77 1urk n GLY 134 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49