#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1urk s VAL 7 N 0.00 5.17 -0.84 1.69 -7.23 -1.26 -4.98 120.40 112.96 1urk s VAL 7 Ca 0.00 -0.47 0.20 0.00 -1.81 0.00 0.00 61.98 59.89 1urk s VAL 7 Cb 0.00 -3.51 0.18 0.00 0.56 0.00 0.00 36.38 33.61 1urk s VAL 7 CO 0.00 0.15 1.61 -0.81 -0.31 0.00 0.00 175.10 175.74 1urk n PRO 8 N 0.38 0.07 -2.61 4.82 -0.04 -1.26 -4.86 135.00 131.50 1urk n PRO 8 Ca -0.06 0.27 -0.15 0.00 -0.04 0.00 0.00 63.50 63.51 1urk n PRO 8 Cb 0.51 -1.62 -0.00 0.00 -0.04 0.00 0.00 33.50 32.35 1urk n PRO 8 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1urk n SER 9 N -1.76 -4.12 -3.58 3.54 3.41 -1.26 -4.91 113.62 104.94 1urk n SER 9 Ca 0.04 0.07 -0.24 0.00 -0.26 0.00 0.00 58.87 58.48 1urk n SER 9 Cb 0.22 -3.47 -0.16 0.00 -0.26 0.00 0.00 64.21 60.54 1urk n SER 9 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 1urk s ASN 10 N -2.17 2.08 0.00 4.04 -0.87 -1.26 -5.14 114.94 111.62 1urk s ASN 10 Ca 0.08 -0.51 0.00 0.00 -1.57 0.00 0.00 52.86 50.86 1urk s ASN 10 Cb -0.04 -0.07 0.00 0.00 -0.02 0.00 0.00 41.25 41.12 1urk s ASN 10 CO 0.09 -0.34 0.00 0.00 -2.57 0.00 0.00 177.10 174.28 1urk n ASP 12 N 0.00 -3.00 -3.78 0.00 -0.08 -1.26 -5.02 116.55 103.41 1urk n ASP 12 Ca 0.00 0.05 0.00 0.00 -1.51 0.00 0.00 54.79 53.33 1urk n ASP 12 Cb 0.00 -1.74 0.00 0.00 2.34 0.00 0.00 41.12 41.72 1urk n ASP 12 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1urk n LEU 14 N 0.00 0.00 -2.14 0.00 4.77 0.81 -4.60 117.00 115.84 1urk n LEU 14 Ca 0.00 0.00 -0.14 0.00 -0.03 0.00 0.00 56.01 55.84 1urk n LEU 14 Cb 0.00 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.07 1urk n LEU 14 CO 0.00 0.00 -0.17 -3.20 -1.33 0.00 0.00 177.39 172.69 1urk n ASN 15 N -2.26 -4.17 -0.02 -1.43 4.05 -1.23 -0.14 115.26 110.07 1urk n ASN 15 Ca 0.00 0.21 0.00 0.00 0.45 0.00 0.00 54.58 55.24 1urk n ASN 15 Cb 0.00 -3.61 0.00 0.00 1.23 0.00 0.00 39.78 37.40 1urk n ASN 15 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1urk n GLY 16 N -0.68 0.78 3.58 8.20 0.00 -1.26 -5.05 105.19 110.75 1urk n GLY 16 Ca -0.16 -0.66 -0.29 0.00 0.00 0.00 0.00 46.02 44.90 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 -2.76 1.55 -0.28 -0.02 0.00 0.80 -5.04 107.32 101.57 1urk s GLY 17 Ca 0.00 -0.64 -0.03 0.00 0.00 0.00 0.00 44.72 44.05 1urk s GLY 17 CO 0.00 0.15 0.17 -1.59 0.00 0.00 0.00 173.10 171.83 1urk s THR 18 N -2.85 -0.15 0.52 0.90 2.01 -0.97 -4.80 115.64 110.29 1urk s THR 18 Ca 0.68 -0.67 -0.22 0.00 0.31 0.00 0.00 61.69 61.80 1urk s THR 18 Cb -0.15 -0.96 -0.06 0.00 0.01 0.00 0.00 72.50 71.34 1urk s THR 18 CO 0.58 -0.65 1.28 0.00 -0.69 0.00 0.00 174.62 175.14 1urk s VAL 20 N -1.40 0.02 0.14 0.00 -7.23 -0.95 -4.80 120.40 106.18 1urk s VAL 20 Ca 0.69 -1.78 -0.24 0.00 -1.81 0.00 0.00 61.98 58.84 1urk s VAL 20 Cb -0.36 -2.29 0.08 0.00 0.56 0.00 0.00 36.38 34.37 1urk s VAL 20 CO 0.42 -0.10 1.05 -0.44 -0.31 0.00 0.00 175.10 175.72 1urk s SER 21 N -3.09 -0.06 0.00 4.85 0.01 -1.26 -1.47 113.70 112.69 1urk s SER 21 Ca 0.30 -0.51 0.00 0.00 1.31 0.00 0.00 55.95 57.05 1urk s SER 21 Cb 0.05 0.44 0.00 0.00 0.21 0.00 0.00 66.02 66.72 1urk s SER 21 CO 0.08 -0.86 0.00 -3.20 0.41 0.00 0.00 173.24 169.68 1urk n ASN 22 N -0.90 0.00 0.00 2.44 2.85 -1.26 -5.00 115.26 113.39 1urk n ASN 22 Ca -0.04 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.43 1urk n ASN 22 Cb 0.60 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.62 1urk n ASN 22 CO 0.00 0.00 0.00 1.17 -2.11 0.00 0.00 177.26 176.32 1urk n LYS 23 N 0.00 0.00 -1.69 1.20 0.00 -1.26 -4.87 118.16 111.54 1urk n LYS 23 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 58.31 57.93 1urk n LYS 23 Cb 0.00 -0.29 0.05 0.00 0.00 0.00 0.00 35.03 34.79 1urk n LYS 23 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.40 179.88 1urk n TYR 24 N -1.78 3.00 -1.67 5.64 0.18 -1.26 -4.90 117.16 116.38 1urk n TYR 24 Ca 0.00 -2.55 0.00 0.00 1.88 0.00 0.00 57.90 57.23 1urk n TYR 24 Cb 0.00 -1.29 0.00 0.00 -0.38 0.00 0.00 39.34 37.67 1urk n TYR 24 CO 0.00 0.00 0.00 1.97 -2.08 0.00 0.00 176.86 176.75 1urk n PHE 25 N -0.61 0.00 0.00 -3.48 -1.74 -1.26 -5.09 117.46 105.27 1urk n PHE 25 Ca 0.57 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 57.46 1urk n PHE 25 Cb 0.39 0.00 0.00 0.00 1.52 0.00 0.00 39.48 41.39 1urk n PHE 25 CO 0.00 0.00 0.00 0.45 -0.56 0.00 0.00 176.76 176.65 1urk n SER 26 N 0.00 0.00 -3.19 5.98 2.88 -1.26 -4.99 113.62 113.05 1urk n SER 26 Ca 0.00 0.00 -0.22 0.00 -1.33 0.00 0.00 58.87 57.32 1urk n SER 26 Cb 0.00 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.41 1urk n SER 26 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 1urk n ASN 27 N -1.44 1.30 -4.08 -3.46 5.03 -1.26 -5.09 115.26 106.27 1urk n ASN 27 Ca 0.00 -3.01 -0.19 0.00 0.87 0.00 0.00 54.58 52.25 1urk n ASN 27 Cb 0.00 -0.63 -0.14 0.00 -1.02 0.00 0.00 39.78 38.00 1urk n ASN 27 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 1urk s ILE 28 N -2.19 0.88 0.00 2.41 -1.09 -1.26 -5.10 121.20 114.85 1urk s ILE 28 Ca 0.39 -0.74 0.00 0.00 -2.23 0.00 0.00 60.65 58.07 1urk s ILE 28 Cb 0.25 -0.79 0.00 0.00 -1.58 0.00 0.00 42.46 40.34 1urk s ILE 28 CO -0.09 0.06 0.00 0.00 -1.23 0.00 0.00 174.94 173.68 1urk n HIS 29 N 2.28 0.00 -5.06 3.97 1.44 -1.26 -4.44 115.22 112.15 1urk n HIS 29 Ca -0.16 0.00 -0.32 0.00 -2.01 0.00 0.00 57.72 55.23 1urk n HIS 29 Cb 0.56 0.00 -0.17 0.00 0.12 0.00 0.00 29.99 30.50 1urk n HIS 29 CO 0.00 0.00 0.00 1.67 -2.81 0.00 0.00 176.34 175.20 1urk s TRP 30 N 0.00 2.54 0.72 -1.40 -2.14 -0.54 -4.97 118.94 113.14 1urk s TRP 30 Ca 0.00 -1.10 -0.12 0.00 2.66 0.00 0.00 56.10 57.54 1urk s TRP 30 Cb 0.00 -1.71 0.03 0.00 -3.10 0.00 0.00 33.47 28.69 1urk s TRP 30 CO 0.00 -0.46 1.10 0.00 -2.66 0.00 0.00 176.95 174.93 1urk s ASN 32 N -3.06 4.40 0.01 0.00 3.84 -0.56 -4.79 114.94 114.79 1urk s ASN 32 Ca 0.63 -2.64 0.02 0.00 0.21 0.00 0.00 52.86 51.08 1urk s ASN 32 Cb -0.18 -1.56 -0.01 0.00 -0.55 0.00 0.00 41.25 38.95 1urk s ASN 32 CO 0.49 -0.29 -0.07 0.00 -2.79 0.00 0.00 177.10 174.45 1urk n PRO 34 N 2.39 0.25 0.21 0.00 -0.02 -1.26 -4.83 135.00 131.74 1urk n PRO 34 Ca -0.16 0.09 0.06 0.00 -2.02 0.00 0.00 63.50 61.46 1urk n PRO 34 Cb 0.57 -1.22 0.45 0.00 -0.02 0.00 0.00 33.50 33.28 1urk n PRO 34 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 1urk h LYS 35 N 0.62 0.00 -0.11 -0.52 1.57 -2.03 -1.59 116.57 114.51 1urk h LYS 35 Ca -0.37 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.41 1urk h LYS 35 Cb 1.43 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.74 1urk h LYS 35 CO 0.50 0.30 0.00 0.36 -0.57 0.00 0.00 179.45 180.05 1urk n LYS 36 N -3.87 1.26 -3.62 3.15 2.85 -1.26 -4.83 118.16 111.84 1urk n LYS 36 Ca -0.02 -0.40 -0.31 0.00 -1.05 0.00 0.00 58.31 56.54 1urk n LYS 36 Cb 0.38 -1.09 -0.04 0.00 -0.65 0.00 0.00 35.03 33.63 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 -1.85 3.47 0.33 5.58 0.40 -0.60 -3.31 117.98 122.00 1urk s PHE 37 Ca 0.08 0.56 -0.13 0.00 -0.60 0.00 0.00 56.93 56.83 1urk s PHE 37 Cb 0.04 -2.01 0.03 0.00 0.51 0.00 0.00 43.02 41.58 1urk s PHE 37 CO 0.05 0.39 0.66 0.20 0.70 0.00 0.00 175.22 177.22 1urk s GLY 38 N -2.60 0.55 0.00 4.36 0.00 -1.07 -4.88 107.32 103.68 1urk s GLY 38 Ca 0.41 -0.85 0.00 0.00 0.00 0.00 0.00 44.72 44.28 1urk s GLY 38 CO 0.25 -0.47 0.00 0.61 0.00 0.00 0.00 173.10 173.49 1urk n GLY 39 N -0.50 0.73 5.89 0.20 0.00 -1.26 0.22 105.19 110.48 1urk n GLY 39 Ca -0.04 -0.66 0.00 0.00 0.00 0.00 0.00 46.02 45.31 1urk n GLY 39 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1urk n GLN 40 N 0.00 0.00 -1.14 1.61 10.64 -1.26 0.32 117.38 127.55 1urk n GLN 40 Ca 0.00 0.00 -0.27 0.00 -1.83 0.00 0.00 57.00 54.90 1urk n GLN 40 Cb 0.00 0.00 0.06 0.00 -0.86 0.00 0.00 30.24 29.44 1urk n GLN 40 CO 0.00 0.00 0.00 0.72 -1.83 0.00 0.00 177.06 175.95 1urk n HIS 41 N 0.00 2.46 -3.11 2.61 8.25 -1.26 -4.84 115.22 119.33 1urk n HIS 41 Ca 0.00 -2.54 -0.08 0.00 -0.26 0.00 0.00 57.72 54.84 1urk n HIS 41 Cb 0.00 -1.23 0.04 0.00 1.12 0.00 0.00 29.99 29.91 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 -2.49 0.43 -1.15 0.00 2.13 0.36 -1.38 120.64 118.54 1urk n GLU 43 Ca -0.04 0.17 -0.37 0.00 0.66 0.00 0.00 57.16 57.59 1urk n GLU 43 Cb 0.56 -1.25 0.05 0.00 0.27 0.00 0.00 31.44 31.07 1urk n GLU 43 CO 0.00 0.00 0.00 -0.89 -0.41 0.00 0.00 177.13 175.83 1urk n ILE 44 N -4.27 0.73 -3.72 6.31 2.08 0.61 -4.22 119.36 116.89 1urk n ILE 44 Ca -0.12 -0.43 -0.29 0.00 0.56 0.00 0.00 62.75 62.47 1urk n ILE 44 Cb 0.43 -0.36 -0.13 0.00 -0.75 0.00 0.00 39.64 38.83 1urk n ILE 44 CO 0.00 0.00 0.00 1.51 0.56 0.00 0.00 176.55 178.62 1urk s ASP 45 N -1.29 3.63 0.00 4.38 -4.77 -1.26 -2.59 116.67 114.77 1urk s ASP 45 Ca 0.56 -2.73 0.00 0.00 -3.30 0.00 0.00 52.55 47.08 1urk s ASP 45 Cb -0.33 -1.06 0.00 0.00 -1.09 0.00 0.00 42.92 40.44 1urk s ASP 45 CO 0.67 -0.25 0.00 0.29 0.70 0.00 0.00 175.17 176.58 1urk n LYS 46 N 3.40 0.00 -3.09 2.11 5.02 -1.21 -4.86 118.16 119.54 1urk n LYS 46 Ca 0.10 0.00 -0.00 0.00 -2.02 0.00 0.00 58.31 56.39 1urk n LYS 46 Cb 0.35 -0.34 -0.00 0.00 -0.02 0.00 0.00 35.03 35.02 1urk n LYS 46 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1urk n SER 47 N 0.00 -6.77 -4.10 4.39 7.64 -1.26 -4.78 113.62 108.74 1urk n SER 47 Ca 0.00 0.65 -0.36 0.00 1.01 0.00 0.00 58.87 60.18 1urk n SER 47 Cb 0.00 -2.27 0.06 0.00 -1.01 0.00 0.00 64.21 60.99 1urk n SER 47 CO 0.00 0.00 0.00 2.29 -3.01 0.00 0.00 175.04 174.32 1urk n LYS 48 N 1.34 -0.18 -0.23 1.43 0.00 -1.26 -4.81 118.16 114.45 1urk n LYS 48 Ca -0.01 -0.04 -0.03 0.00 -0.00 0.00 0.00 58.31 58.22 1urk n LYS 48 Cb 0.37 -1.22 0.14 0.00 -0.00 0.00 0.00 35.03 34.33 1urk n LYS 48 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.40 178.55 1urk h THR 49 N -1.19 1.24 -3.15 0.58 2.02 -1.92 -3.43 112.91 107.05 1urk h THR 49 Ca -0.44 -0.72 -0.57 0.00 0.77 0.00 0.00 66.41 65.46 1urk h THR 49 Cb 1.32 0.36 0.18 0.00 -1.74 0.00 0.00 68.15 68.27 1urk h THR 49 CO 0.26 0.29 -0.31 0.00 0.37 0.00 0.00 175.52 176.13 1urk s TYR 51 N -1.75 3.82 -0.13 0.00 -0.85 -1.26 -5.05 117.35 112.12 1urk s TYR 51 Ca 0.69 1.51 -0.09 0.00 -0.52 0.00 0.00 57.07 58.66 1urk s TYR 51 Cb -0.41 -2.68 -0.04 0.00 0.38 0.00 0.00 41.96 39.21 1urk s TYR 51 CO 0.54 0.48 0.17 -1.21 -1.52 0.00 0.00 175.55 174.01 1urk s GLU 52 N -1.38 3.65 2.03 -3.49 2.02 -1.26 -4.97 118.70 115.31 1urk s GLU 52 Ca 0.37 -0.09 0.00 0.00 0.02 0.00 0.00 54.97 55.27 1urk s GLU 52 Cb -0.21 -3.24 0.00 0.00 0.10 0.00 0.00 34.13 30.78 1urk s GLU 52 CO 0.23 0.66 0.00 0.41 0.02 0.00 0.00 175.26 176.59 1urk n GLY 53 N 2.30 0.75 0.28 -1.39 0.00 -1.26 -2.90 105.19 102.98 1urk n GLY 53 Ca -0.18 -0.84 -0.05 0.00 0.00 0.00 0.00 46.02 44.94 1urk n GLY 53 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 1urk h ASN 54 N 0.00 -0.81 0.00 1.61 7.08 -1.94 -3.46 115.58 118.06 1urk h ASN 54 Ca 0.00 0.18 0.00 0.00 -3.08 0.00 0.00 56.30 53.40 1urk h ASN 54 Cb 0.00 0.43 0.00 0.00 -2.08 0.00 0.00 38.32 36.67 1urk h ASN 54 CO 0.00 -0.26 0.00 0.61 -2.08 0.00 0.00 177.43 175.70 1urk n GLY 55 N -1.40 0.96 0.56 9.14 0.00 -1.14 -4.45 105.19 108.86 1urk n GLY 55 Ca 0.03 0.00 0.40 0.00 0.00 0.00 0.00 46.02 46.45 1urk n GLY 55 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 1urk h HIS 56 N 0.00 0.21 -3.60 1.61 6.17 -1.88 -3.13 115.15 114.53 1urk h HIS 56 Ca 0.00 0.01 -0.66 0.00 0.71 0.00 0.00 60.37 60.43 1urk h HIS 56 Cb 0.00 -0.05 -0.40 0.00 2.52 0.00 0.00 27.41 29.48 1urk h HIS 56 CO 0.00 -0.05 -0.68 -0.59 0.71 0.00 0.00 177.93 177.32 1urk s PHE 57 N -5.07 3.60 0.00 5.26 -0.71 -1.26 -4.69 117.98 115.11 1urk s PHE 57 Ca -0.06 -3.02 0.00 0.00 -1.04 0.00 0.00 56.93 52.81 1urk s PHE 57 Cb 0.26 -2.92 0.00 0.00 -1.21 0.00 0.00 43.02 39.15 1urk s PHE 57 CO 0.84 -0.89 0.00 0.98 -1.34 0.00 0.00 175.22 174.81 1urk n TYR 58 N 3.95 0.00 0.00 3.49 9.36 -1.19 -5.04 117.16 127.73 1urk n TYR 58 Ca 0.04 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.26 1urk n TYR 58 Cb 0.39 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.10 1urk n TYR 58 CO 0.00 0.00 0.00 -2.13 0.22 0.00 0.00 176.86 174.95 1urk n ARG 59 N 0.00 0.00 -0.15 2.98 3.00 -1.26 -5.02 116.66 116.21 1urk n ARG 59 Ca 0.00 0.21 0.02 0.00 -0.00 0.00 0.00 57.85 58.08 1urk n ARG 59 Cb 0.00 -0.83 -0.01 0.00 0.00 0.00 0.00 32.46 31.62 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 1.57 -1.92 0.05 5.14 0.00 -1.26 -4.71 105.19 104.06 1urk n GLY 60 Ca 0.00 -1.35 -0.05 0.00 0.00 0.00 0.00 46.02 44.62 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 -1.07 2.31 -1.48 1.61 4.81 -1.26 -4.94 118.16 118.14 1urk n LYS 61 Ca 0.00 0.00 -0.43 0.00 -0.87 0.00 0.00 58.31 57.01 1urk n LYS 61 Cb 0.07 -1.23 -0.12 0.00 0.02 0.00 0.00 35.03 33.76 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 -2.38 0.41 0.02 3.14 0.00 -1.26 -4.66 120.51 115.78 1urk n ALA 62 Ca -0.15 -0.32 0.04 0.00 0.00 0.00 0.00 53.44 53.00 1urk n ALA 62 Cb 0.79 -2.42 -0.06 0.00 0.00 0.00 0.00 19.45 17.76 1urk n ALA 62 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1urk n SER 63 N 11.02 2.98 -4.91 0.00 3.41 -1.26 -3.85 113.62 121.02 1urk n SER 63 Ca 0.59 -0.05 -0.28 0.00 -0.26 0.00 0.00 58.87 58.87 1urk n SER 63 Cb 0.12 1.34 0.06 0.00 -0.26 0.00 0.00 64.21 65.47 1urk n SER 63 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1urk s THR 64 N -2.50 2.88 0.00 6.66 -4.23 -1.26 -4.37 115.64 112.83 1urk s THR 64 Ca -0.03 0.06 0.00 0.00 -1.18 0.00 0.00 61.69 60.54 1urk s THR 64 Cb 0.05 -3.24 0.00 0.00 1.34 0.00 0.00 72.50 70.65 1urk s THR 64 CO 0.33 -0.29 0.00 -0.90 -0.54 0.00 0.00 174.62 173.23 1urk n ASP 65 N -2.95 0.00 -1.21 3.99 5.75 -0.87 -4.36 116.55 116.90 1urk n ASP 65 Ca 0.07 0.00 -0.03 0.00 -0.01 0.00 0.00 54.79 54.82 1urk n ASP 65 Cb 0.59 0.00 0.10 0.00 -1.03 0.00 0.00 41.12 40.78 1urk n ASP 65 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 1urk n THR 66 N 0.00 1.36 0.00 2.12 -2.24 -1.26 -2.77 114.28 111.49 1urk n THR 66 Ca 0.00 -0.57 0.00 0.00 -2.27 0.00 0.00 64.05 61.21 1urk n THR 66 Cb 0.00 -0.62 0.00 0.00 -2.10 0.00 0.00 70.33 67.61 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 0.07 0.00 0.00 -0.78 2.81 -1.26 -4.86 117.12 113.11 1urk n MET 67 Ca 0.15 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 56.04 1urk n MET 67 Cb 0.74 -0.64 0.00 0.00 -0.71 0.00 0.00 33.22 32.62 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 2.36 1.36 3.61 3.03 0.00 -1.25 -5.12 105.19 109.18 1urk n GLY 68 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 1urk n GLY 68 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1urk n ARG 69 N 0.00 0.69 0.00 1.61 1.85 -1.26 -4.63 116.66 114.92 1urk n ARG 69 Ca 0.00 0.28 0.09 0.00 -1.00 0.00 0.00 57.85 57.22 1urk n ARG 69 Cb 0.00 -2.20 0.52 0.00 -1.05 0.00 0.00 32.46 29.73 1urk n ARG 69 CO 0.00 0.00 0.00 -0.35 -0.01 0.00 0.00 177.63 177.27 1urk n PRO 70 N -1.47 0.60 -0.56 2.89 -0.04 -1.26 -2.05 135.00 133.11 1urk n PRO 70 Ca 0.14 0.00 0.07 0.00 -0.04 0.00 0.00 63.50 63.66 1urk n PRO 70 Cb 0.49 -1.46 -0.03 0.00 -0.04 0.00 0.00 33.50 32.46 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 -5.53 4.12 0.45 0.00 1.43 -0.65 -4.92 118.68 113.58 1urk s LEU 72 Ca 0.00 1.31 -0.22 0.00 -1.03 0.00 0.00 54.13 54.19 1urk s LEU 72 Cb 0.00 -3.44 -0.11 0.00 0.03 0.00 0.00 46.19 42.67 1urk s LEU 72 CO 0.00 -0.58 0.73 -2.65 0.23 0.00 0.00 176.35 174.08 1urk n PRO 73 N 5.97 0.84 0.00 1.29 -0.02 -1.26 -4.70 135.00 137.12 1urk n PRO 73 Ca 0.09 0.31 0.05 0.00 -2.02 0.00 0.00 63.50 61.93 1urk n PRO 73 Cb 0.47 -1.76 0.25 0.00 -0.02 0.00 0.00 33.50 32.44 1urk n PRO 73 CO 0.00 0.00 0.00 0.91 1.98 0.00 0.00 175.50 178.39 1urk n TRP 74 N -0.92 0.00 0.01 6.00 7.02 -0.89 -1.05 117.44 127.61 1urk n TRP 74 Ca 0.11 0.00 0.06 0.00 -1.02 0.00 0.00 57.50 56.65 1urk n TRP 74 Cb 0.41 -0.29 -0.11 0.00 -2.42 0.00 0.00 31.31 28.90 1urk n TRP 74 CO 0.00 0.00 0.00 -1.71 -2.02 0.00 0.00 177.69 173.96 1urk n ASN 75 N -1.29 0.36 -4.49 -0.99 2.85 -1.26 -1.18 115.26 109.26 1urk n ASN 75 Ca 0.05 0.15 -0.46 0.00 -0.11 0.00 0.00 54.58 54.21 1urk n ASN 75 Cb 0.08 1.15 -0.07 0.00 1.24 0.00 0.00 39.78 42.18 1urk n ASN 75 CO 0.00 0.00 0.00 -1.20 -2.11 0.00 0.00 177.26 173.95 1urk n SER 76 N -2.55 2.12 -0.49 1.20 7.64 -0.21 -4.71 113.62 116.62 1urk n SER 76 Ca -0.08 0.18 0.37 0.00 1.01 0.00 0.00 58.87 60.34 1urk n SER 76 Cb 0.70 -1.33 0.57 0.00 -1.01 0.00 0.00 64.21 63.14 1urk n SER 76 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1urk n ALA 77 N 11.38 1.31 0.32 -0.43 0.00 -1.26 -0.39 120.51 131.44 1urk n ALA 77 Ca 0.42 0.46 -0.13 0.00 0.00 0.00 0.00 53.44 54.19 1urk n ALA 77 Cb 0.30 -0.79 -0.06 0.00 0.00 0.00 0.00 19.45 18.90 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 -0.34 0.00 2.02 -1.92 0.08 112.91 112.75 1urk h THR 78 Ca 0.65 -0.01 -0.01 0.00 0.77 0.00 0.00 66.41 67.81 1urk h THR 78 Cb 2.60 0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 68.99 1urk h THR 78 CO -0.02 0.00 0.17 1.62 0.37 0.00 0.00 175.52 177.66 1urk h VAL 79 N -0.83 1.12 -0.84 3.16 3.04 -0.99 0.14 116.25 121.04 1urk h VAL 79 Ca -0.08 -0.31 0.14 0.00 -1.01 0.00 0.00 66.70 65.43 1urk h VAL 79 Cb 0.63 0.68 -0.06 0.00 -2.01 0.00 0.00 31.29 30.53 1urk h VAL 79 CO 0.14 0.13 0.55 -0.07 -1.01 0.00 0.00 177.57 177.31 1urk h LEU 80 N 0.47 0.58 -0.69 3.16 3.38 -0.96 0.49 115.31 121.73 1urk h LEU 80 Ca 0.12 0.03 -0.12 0.00 0.09 0.00 0.00 57.88 58.00 1urk h LEU 80 Cb 0.04 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 1urk h LEU 80 CO -0.02 0.30 -0.29 -0.61 0.09 0.00 0.00 178.44 177.91 1urk h GLN 81 N 0.61 0.70 0.00 1.13 4.15 0.13 -3.43 115.11 118.40 1urk h GLN 81 Ca 0.42 -0.31 0.00 0.00 0.77 0.00 0.00 58.65 59.53 1urk h GLN 81 Cb 0.74 -0.02 0.00 0.00 0.21 0.00 0.00 27.48 28.41 1urk h GLN 81 CO -0.17 0.91 0.00 1.04 -1.93 0.00 0.00 178.83 178.67 1urk n GLN 82 N -4.09 2.48 0.00 1.69 1.13 0.17 -5.04 117.38 113.72 1urk n GLN 82 Ca -0.01 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.05 1urk n GLN 82 Cb 0.46 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.81 1urk n GLN 82 CO 0.00 0.00 0.00 0.25 -1.44 0.00 0.00 177.06 175.87 1urk n THR 83 N 0.00 0.00 -1.89 5.09 -2.24 -1.26 -4.92 114.28 109.06 1urk n THR 83 Ca 0.00 0.02 -0.41 0.00 -2.27 0.00 0.00 64.05 61.40 1urk n THR 83 Cb 0.00 -0.77 -0.03 0.00 -2.10 0.00 0.00 70.33 67.43 1urk n THR 83 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 1urk s TYR 84 N -0.11 1.56 0.00 4.78 2.02 -1.26 -4.53 117.35 119.82 1urk s TYR 84 Ca 0.00 0.81 0.00 0.00 -0.37 0.00 0.00 57.07 57.51 1urk s TYR 84 Cb 0.00 -4.00 0.00 0.00 -0.40 0.00 0.00 41.96 37.56 1urk s TYR 84 CO 0.00 -2.85 0.00 -2.39 -1.57 0.00 0.00 175.55 168.74 1urk n HIS 85 N 12.07 0.00 -1.84 2.71 1.44 -1.26 -4.93 115.22 123.41 1urk n HIS 85 Ca 0.25 0.00 -0.36 0.00 -2.01 0.00 0.00 57.72 55.61 1urk n HIS 85 Cb 0.49 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.61 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 -3.00 6.48 0.00 1.59 0.00 -0.33 -4.28 120.51 120.97 1urk n ALA 86 Ca 0.00 -3.81 0.00 0.00 0.00 0.00 0.00 53.44 49.63 1urk n ALA 86 Cb 0.00 -2.10 0.00 0.00 0.00 0.00 0.00 19.45 17.35 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 0.09 0.00 -4.43 0.00 8.25 -1.26 -4.87 115.22 113.00 1urk n HIS 87 Ca 0.52 0.00 -0.21 0.00 -0.26 0.00 0.00 57.72 57.77 1urk n HIS 87 Cb 0.34 0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.35 1urk n HIS 87 CO 0.00 0.00 0.00 0.50 0.64 0.00 0.00 176.34 177.48 1urk s ARG 88 N 0.00 1.55 -0.01 -0.41 3.52 -1.26 -5.00 118.95 117.34 1urk s ARG 88 Ca 0.00 -1.80 0.04 0.00 -0.13 0.00 0.00 55.73 53.84 1urk s ARG 88 Cb 0.00 -1.07 0.14 0.00 -1.56 0.00 0.00 34.95 32.45 1urk s ARG 88 CO 0.00 -0.01 1.04 0.43 -0.81 0.00 0.00 175.30 175.95 1urk n SER 89 N -0.59 1.03 0.00 -2.12 7.64 -1.26 -3.33 113.62 114.99 1urk n SER 89 Ca -0.05 -2.04 0.00 0.00 1.01 0.00 0.00 58.87 57.79 1urk n SER 89 Cb 0.64 -0.19 0.00 0.00 -1.01 0.00 0.00 64.21 63.65 1urk n SER 89 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1urk n ASP 90 N -0.03 0.10 0.06 6.43 9.92 -1.26 -4.76 116.55 127.01 1urk n ASP 90 Ca 0.05 -1.03 0.12 0.00 -0.53 0.00 0.00 54.79 53.41 1urk n ASP 90 Cb 0.19 0.00 0.48 0.00 -0.64 0.00 0.00 41.12 41.15 1urk n ASP 90 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1urk n ALA 91 N -0.01 2.12 0.88 2.24 0.00 -1.21 -2.54 120.51 121.99 1urk n ALA 91 Ca 0.00 -0.04 0.13 0.00 0.00 0.00 0.00 53.44 53.53 1urk n ALA 91 Cb 0.32 -1.42 0.40 0.00 0.00 0.00 0.00 19.45 18.74 1urk n ALA 91 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 1urk n LEU 92 N -1.87 0.39 0.14 0.00 -0.00 -1.26 -0.98 117.00 113.42 1urk n LEU 92 Ca 0.05 0.30 0.12 0.00 -0.00 0.00 0.00 56.01 56.48 1urk n LEU 92 Cb 0.33 -0.34 0.08 0.00 -0.00 0.00 0.00 43.42 43.49 1urk n LEU 92 CO 0.25 0.01 0.34 1.56 -0.00 0.00 0.00 177.39 179.55 1urk h GLN 93 N 0.00 0.00 0.00 1.47 1.08 -1.84 -3.31 115.11 112.50 1urk h GLN 93 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1urk h GLN 93 Cb 0.57 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.00 1urk h GLN 93 CO 0.00 0.00 -0.96 1.28 -0.95 0.00 0.00 178.83 178.20 1urk n LEU 94 N -2.76 0.24 -2.35 1.46 7.99 -1.19 -5.05 117.00 115.34 1urk n LEU 94 Ca 0.02 -0.26 -0.00 0.00 -0.01 0.00 0.00 56.01 55.76 1urk n LEU 94 Cb 0.53 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.84 1urk n LEU 94 CO 0.37 0.06 0.18 0.61 -1.51 0.00 0.00 177.39 177.10 1urk n GLY 95 N 1.57 -0.84 0.00 -0.72 0.00 -0.15 -5.03 105.19 100.02 1urk n GLY 95 Ca 0.00 0.22 0.00 0.00 0.00 0.00 0.00 46.02 46.24 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 -1.32 0.19 0.00 0.99 4.77 -0.98 -5.05 117.00 115.61 1urk n LEU 96 Ca 0.01 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.99 1urk n LEU 96 Cb 0.47 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.56 1urk n LEU 96 CO 0.29 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.96 1urk n GLY 97 N 2.88 -0.03 3.13 -0.72 0.00 -1.26 -4.58 105.19 104.61 1urk n GLY 97 Ca 0.00 -1.21 -0.38 0.00 0.00 0.00 0.00 46.02 44.43 1urk n GLY 97 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1urk s LYS 98 N 0.00 2.52 0.00 1.61 1.02 -1.26 -3.99 119.74 119.64 1urk s LYS 98 Ca 0.00 -2.31 0.00 0.00 0.02 0.00 0.00 55.97 53.68 1urk s LYS 98 Cb 0.00 -3.77 0.00 0.00 -0.52 0.00 0.00 37.83 33.54 1urk s LYS 98 CO 0.00 -1.16 0.00 -2.39 -0.92 0.00 0.00 175.35 170.88 1urk n HIS 99 N 3.87 -0.04 -2.21 3.18 1.44 -1.26 -4.92 115.22 115.28 1urk n HIS 99 Ca 0.05 0.00 0.02 0.00 -2.01 0.00 0.00 57.72 55.77 1urk n HIS 99 Cb 0.39 0.00 0.01 0.00 0.12 0.00 0.00 29.99 30.51 1urk n HIS 99 CO 0.00 0.00 0.00 0.27 -2.81 0.00 0.00 176.34 173.80 1urk n ASN 100 N -0.07 0.40 -4.88 4.39 6.94 -1.26 -2.10 115.26 118.67 1urk n ASN 100 Ca 0.00 -1.98 -0.30 0.00 -0.02 0.00 0.00 54.58 52.28 1urk n ASN 100 Cb 0.00 -0.23 0.03 0.00 -2.36 0.00 0.00 39.78 37.22 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 0.00 3.46 0.17 -2.53 1.51 -1.26 -4.72 117.35 113.98 1urk s TYR 101 Ca 0.14 1.08 -0.16 0.00 -1.01 0.00 0.00 57.07 57.12 1urk s TYR 101 Cb 0.16 -2.83 -0.07 0.00 -0.11 0.00 0.00 41.96 39.11 1urk s TYR 101 CO -0.07 -0.87 0.60 0.00 -1.11 0.00 0.00 175.55 174.10 1urk s ARG 103 N -1.99 0.98 -0.43 0.00 6.06 -1.15 -4.96 118.95 117.45 1urk s ARG 103 Ca 0.40 -1.47 0.10 0.00 -2.50 0.00 0.00 55.73 52.25 1urk s ARG 103 Cb -0.15 0.18 0.38 0.00 0.06 0.00 0.00 34.95 35.42 1urk s ARG 103 CO 0.20 -0.26 0.90 0.09 -2.50 0.00 0.00 175.30 173.73 1urk n ASN 104 N -0.13 2.69 0.23 -2.12 3.02 -1.26 -2.79 115.26 114.89 1urk n ASN 104 Ca -0.05 -3.27 0.13 0.00 -0.03 0.00 0.00 54.58 51.36 1urk n ASN 104 Cb 0.64 -0.56 0.52 0.00 -0.61 0.00 0.00 39.78 39.77 1urk n ASN 104 CO 0.00 0.00 0.00 -0.65 -2.62 0.00 0.00 177.26 173.99 1urk h PRO 105 N 2.92 0.00 -4.51 3.52 0.11 -1.92 -3.29 132.00 128.83 1urk h PRO 105 Ca 0.10 0.00 -0.64 0.00 0.11 0.00 0.00 66.00 65.57 1urk h PRO 105 Cb 0.87 0.00 -0.39 0.00 0.11 0.00 0.00 31.00 31.59 1urk h PRO 105 CO 0.65 0.00 -0.76 -0.51 -0.21 0.00 0.00 178.00 177.17 1urk s ASP 106 N -4.02 4.33 -0.81 -2.05 1.01 -1.26 -5.02 116.67 108.85 1urk s ASP 106 Ca -0.02 -1.61 -0.07 0.00 0.71 0.00 0.00 52.55 51.56 1urk s ASP 106 Cb 0.08 -1.39 -0.28 0.00 1.01 0.00 0.00 42.92 42.34 1urk s ASP 106 CO 0.26 -0.29 1.80 0.59 0.21 0.00 0.00 175.17 177.74 1urk n ASN 107 N 4.49 -1.31 -0.80 0.27 3.02 -1.24 -4.62 115.26 115.07 1urk n ASN 107 Ca -0.06 -0.52 0.08 0.00 -0.03 0.00 0.00 54.58 54.05 1urk n ASN 107 Cb 0.43 -0.46 0.23 0.00 -0.61 0.00 0.00 39.78 39.36 1urk n ASN 107 CO 0.00 0.00 0.00 -1.14 -2.62 0.00 0.00 177.26 173.50 1urk n ARG 108 N 4.70 2.88 0.00 3.52 3.00 -1.26 -5.00 116.66 124.50 1urk n ARG 108 Ca 0.55 -2.64 0.00 0.00 -0.00 0.00 0.00 57.85 55.77 1urk n ARG 108 Cb 0.14 -1.69 0.00 0.00 0.00 0.00 0.00 32.46 30.91 1urk n ARG 108 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.63 175.50 1urk n ARG 109 N -0.29 0.00 -3.75 -0.14 0.63 -1.26 -4.85 116.66 107.00 1urk n ARG 109 Ca 0.19 0.00 -0.26 0.00 -0.92 0.00 0.00 57.85 56.85 1urk n ARG 109 Cb 0.77 0.00 -0.03 0.00 0.45 0.00 0.00 32.46 33.65 1urk n ARG 109 CO 0.00 0.00 0.00 1.03 -2.51 0.00 0.00 177.63 176.15 1urk s ARG 110 N 0.00 3.49 0.07 -0.14 0.52 -1.26 -4.34 118.95 117.30 1urk s ARG 110 Ca 0.00 -0.43 -0.31 0.00 -0.52 0.00 0.00 55.73 54.47 1urk s ARG 110 Cb 0.00 -2.86 -0.07 0.00 0.52 0.00 0.00 34.95 32.54 1urk s ARG 110 CO 0.00 0.42 1.34 -1.25 0.02 0.00 0.00 175.30 175.83 1urk s PRO 111 N -3.41 4.34 0.30 3.54 0.04 -1.26 -4.85 135.00 133.71 1urk s PRO 111 Ca 0.37 1.97 0.10 0.00 0.04 0.00 0.00 61.00 63.48 1urk s PRO 111 Cb -0.11 -3.35 -0.06 0.00 0.04 0.00 0.00 34.50 31.03 1urk s PRO 111 CO 0.29 -0.42 -0.13 1.67 0.04 0.00 0.00 177.00 178.46 1urk s TRP 112 N 1.38 2.24 0.02 0.56 1.48 -1.12 0.21 118.94 123.71 1urk s TRP 112 Ca 0.63 -0.48 -0.05 0.00 -1.06 0.00 0.00 56.10 55.13 1urk s TRP 112 Cb -0.34 -1.17 -0.01 0.00 -1.16 0.00 0.00 33.47 30.80 1urk s TRP 112 CO 0.29 0.56 0.08 0.00 -4.06 0.00 0.00 176.95 173.82 1urk s TYR 114 N -1.83 1.97 -0.17 0.00 1.51 -1.26 -1.54 117.35 116.04 1urk s TYR 114 Ca -0.12 0.37 -0.08 0.00 -1.01 0.00 0.00 57.07 56.22 1urk s TYR 114 Cb -0.06 -4.07 -0.05 0.00 -0.11 0.00 0.00 41.96 37.68 1urk s TYR 114 CO -0.01 -1.38 0.12 0.54 -1.11 0.00 0.00 175.55 173.71 1urk s VAL 115 N 10.31 5.29 0.26 0.71 0.11 -0.18 -1.64 120.40 135.25 1urk s VAL 115 Ca 0.68 0.14 -0.30 0.00 -2.93 0.00 0.00 61.98 59.56 1urk s VAL 115 Cb -0.02 -3.37 -0.14 0.00 -1.53 0.00 0.00 36.38 31.32 1urk s VAL 115 CO 0.09 0.50 1.29 1.67 -3.33 0.00 0.00 175.10 175.31 1urk n GLN 116 N 3.06 1.82 -0.61 1.54 7.27 -1.26 -0.84 117.38 128.36 1urk n GLN 116 Ca -0.17 0.64 0.06 0.00 0.07 0.00 0.00 57.00 57.60 1urk n GLN 116 Cb 0.53 -2.22 0.15 0.00 2.41 0.00 0.00 30.24 31.12 1urk n GLN 116 CO 0.00 0.00 0.00 0.28 0.07 0.00 0.00 177.06 177.41 1urk n VAL 117 N 1.27 1.69 0.00 1.69 0.31 -1.20 -4.76 118.33 117.33 1urk n VAL 117 Ca 0.10 -2.52 0.00 0.00 -0.01 0.00 0.00 64.34 61.92 1urk n VAL 117 Cb 0.31 -0.02 0.00 0.00 -0.91 0.00 0.00 33.84 33.23 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 -0.89 2.77 0.00 2.92 0.00 -1.26 -4.76 105.19 103.97 1urk n GLY 118 Ca 0.15 -0.62 0.00 0.00 0.00 0.00 0.00 46.02 45.55 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 -3.67 0.99 -0.00 -1.26 -5.07 117.00 107.99 1urk n LEU 119 Ca 0.00 0.00 -0.14 0.00 -0.00 0.00 0.00 56.01 55.87 1urk n LEU 119 Cb 0.00 0.00 -0.14 0.00 -0.00 0.00 0.00 43.42 43.28 1urk n LEU 119 CO 0.00 0.04 -0.15 -1.59 -0.00 0.00 0.00 177.39 175.69 1urk s LYS 120 N 0.00 0.13 -0.65 1.47 -2.85 -1.26 -5.08 119.74 111.51 1urk s LYS 120 Ca 0.00 0.69 -0.29 0.00 -1.00 0.00 0.00 55.97 55.37 1urk s LYS 120 Cb 0.00 -0.08 -0.13 0.00 -2.06 0.00 0.00 37.83 35.56 1urk s LYS 120 CO 0.00 -0.27 2.48 -2.30 0.10 0.00 0.00 175.35 175.36 1urk n PRO 121 N 5.22 0.69 -3.61 1.78 -0.02 -1.26 -3.21 135.00 134.59 1urk n PRO 121 Ca -0.08 0.04 -0.35 0.00 -2.02 0.00 0.00 63.50 61.09 1urk n PRO 121 Cb 0.50 -2.63 -0.06 0.00 -0.02 0.00 0.00 33.50 31.29 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 10.41 4.37 -0.22 2.45 1.98 -0.02 -4.64 118.68 133.01 1urk s LEU 122 Ca 1.13 0.76 -0.29 0.00 -2.89 0.00 0.00 54.13 52.84 1urk s LEU 122 Cb -0.65 -2.83 0.00 0.00 0.66 0.00 0.00 46.19 43.37 1urk s LEU 122 CO 0.37 0.22 1.16 0.68 -1.89 0.00 0.00 176.35 176.89 1urk s VAL 123 N -1.32 4.45 -0.18 1.68 -7.23 -1.25 -1.01 120.40 115.54 1urk s VAL 123 Ca 0.30 1.73 -0.00 0.00 -1.81 0.00 0.00 61.98 62.20 1urk s VAL 123 Cb -0.14 -4.19 0.00 0.00 0.56 0.00 0.00 36.38 32.61 1urk s VAL 123 CO 0.16 -0.23 -0.14 -1.10 -0.31 0.00 0.00 175.10 173.48 1urk s GLN 124 N 3.47 3.19 -0.86 4.82 1.11 -0.59 -4.75 119.66 126.05 1urk s GLN 124 Ca 0.50 -0.74 -0.20 0.00 0.01 0.00 0.00 55.36 54.92 1urk s GLN 124 Cb -0.17 -2.70 -0.21 0.00 -1.01 0.00 0.00 33.01 28.92 1urk s GLN 124 CO 0.12 -0.10 2.33 0.39 0.01 0.00 0.00 175.29 178.04 1urk n GLU 125 N 4.40 0.37 -1.23 2.91 1.02 -1.26 -2.06 120.64 124.80 1urk n GLU 125 Ca -0.19 -0.55 -0.43 0.00 -0.02 0.00 0.00 57.16 55.96 1urk n GLU 125 Cb 0.51 -2.77 -0.12 0.00 -0.02 0.00 0.00 31.44 29.04 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 7.10 0.61 -2.66 0.00 2.81 -1.12 -4.72 117.12 119.15 1urk n MET 127 Ca 0.54 0.10 -0.25 0.00 -1.81 0.00 0.00 57.70 56.27 1urk n MET 127 Cb 0.00 -2.30 -0.01 0.00 -0.71 0.00 0.00 33.22 30.20 1urk n MET 127 CO 0.00 0.00 0.00 1.55 1.51 0.00 0.00 175.97 179.03 1urk n VAL 128 N 7.43 2.39 -4.27 2.03 3.14 -1.26 -4.90 118.33 122.89 1urk n VAL 128 Ca 0.50 -4.99 -0.29 0.00 -2.96 0.00 0.00 64.34 56.60 1urk n VAL 128 Cb 0.22 -1.13 -0.04 0.00 -1.06 0.00 0.00 33.84 31.82 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 -3.45 1.83 0.12 1.45 2.46 -1.26 -4.49 115.29 111.96 1urk s HIS 129 Ca 0.46 -0.86 0.00 0.00 0.47 0.00 0.00 55.06 55.14 1urk s HIS 129 Cb 0.37 -1.80 0.00 0.00 -0.13 0.00 0.00 32.58 31.02 1urk s HIS 129 CO -0.15 -0.11 0.00 -3.47 -2.47 0.00 0.00 174.74 168.53 1urk n ASP 130 N -1.50 -8.41 -0.81 9.88 2.03 -1.26 -5.01 116.55 111.47 1urk n ASP 130 Ca -0.09 1.39 -0.04 0.00 0.52 0.00 0.00 54.79 56.57 1urk n ASP 130 Cb 0.65 -4.67 -0.04 0.00 -0.72 0.00 0.00 41.12 36.34 1urk n ASP 130 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1urk n ALA 132 N 0.00 0.34 -3.00 0.00 0.00 -1.26 -4.89 120.51 111.70 1urk n ALA 132 Ca -0.18 -2.27 0.00 0.00 0.00 0.00 0.00 53.44 51.00 1urk n ALA 132 Cb 0.61 -1.08 0.00 0.00 0.00 0.00 0.00 19.45 18.98 1urk n ALA 132 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1urk n ASP 133 N 0.66 0.00 0.11 0.00 5.75 -1.26 -5.04 116.55 116.77 1urk n ASP 133 Ca 0.14 0.00 -0.12 0.00 -0.01 0.00 0.00 54.79 54.80 1urk n ASP 133 Cb 0.66 0.00 -0.07 0.00 -1.03 0.00 0.00 41.12 40.67 1urk n ASP 133 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 1urk h GLY 134 N 0.00 -1.17 -0.04 6.12 0.00 -2.04 -3.56 103.07 102.38 1urk h GLY 134 Ca 0.00 0.59 0.00 0.00 0.00 0.00 0.00 47.33 47.92 1urk h GLY 134 CO 0.00 -0.33 0.00 0.28 0.00 0.00 0.00 176.54 176.49