#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1aaz s PHE 2 N 0.00 3.34 -0.17 1.12 0.40 -0.27 -3.79 117.98 118.61 1aaz s PHE 2 Ca 0.00 1.54 -0.03 0.00 -0.60 0.00 0.00 56.93 57.84 1aaz s PHE 2 Cb 0.00 -2.79 -0.02 0.00 0.51 0.00 0.00 43.02 40.72 1aaz s PHE 2 CO 0.00 -0.06 -0.06 0.15 0.70 0.00 0.00 175.22 175.96 1aaz s LYS 3 N -3.10 3.51 -0.22 0.44 1.02 -0.42 -0.70 119.74 120.27 1aaz s LYS 3 Ca 0.60 -0.59 0.00 0.00 0.02 0.00 0.00 55.97 56.01 1aaz s LYS 3 Cb -0.10 -2.90 0.03 0.00 -0.52 0.00 0.00 37.83 34.34 1aaz s LYS 3 CO 0.14 0.07 -0.13 0.08 -0.92 0.00 0.00 175.35 174.59 1aaz s VAL 4 N 0.78 2.39 -0.15 3.17 1.01 -0.16 -0.87 120.40 126.56 1aaz s VAL 4 Ca -0.02 -1.11 -0.13 0.00 0.00 0.00 0.00 61.98 60.71 1aaz s VAL 4 Cb -0.15 -2.17 -0.05 0.00 0.00 0.00 0.00 36.38 34.02 1aaz s VAL 4 CO 0.02 0.30 0.28 -0.31 0.00 0.00 0.00 175.10 175.39 1aaz s TYR 5 N 1.26 3.48 0.00 5.22 1.51 0.21 -0.23 117.35 128.80 1aaz s TYR 5 Ca 0.00 0.61 0.00 0.00 -1.01 0.00 0.00 57.07 56.67 1aaz s TYR 5 Cb -0.16 -2.31 0.00 0.00 -0.11 0.00 0.00 41.96 39.38 1aaz s TYR 5 CO -0.08 0.29 0.00 0.41 -1.11 0.00 0.00 175.55 175.06 1aaz n GLY 6 N 3.21 1.57 3.45 0.71 0.00 -0.37 -1.38 105.19 112.37 1aaz n GLY 6 Ca -0.13 -0.63 -0.28 0.00 0.00 0.00 0.00 46.02 44.98 1aaz n GLY 6 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1aaz s TYR 7 N -2.28 2.41 -0.26 1.61 2.02 -1.26 -1.27 117.35 118.32 1aaz s TYR 7 Ca 0.00 -0.32 -0.18 0.00 -0.37 0.00 0.00 57.07 56.20 1aaz s TYR 7 Cb 0.00 -1.26 -0.03 0.00 -0.40 0.00 0.00 41.96 40.27 1aaz s TYR 7 CO 0.00 0.40 0.52 0.34 -1.57 0.00 0.00 175.55 175.25 1aaz s ASP 8 N -2.28 6.45 0.39 2.29 -1.08 -1.26 -4.80 116.67 116.37 1aaz s ASP 8 Ca 0.18 0.54 0.24 0.00 -0.52 0.00 0.00 52.55 52.99 1aaz s ASP 8 Cb -0.10 -2.29 1.30 0.00 -1.46 0.00 0.00 42.92 40.38 1aaz s ASP 8 CO 0.09 -0.29 1.72 0.28 0.52 0.00 0.00 175.17 177.49 1aaz h SER 9 N 7.98 0.00 1.32 -0.34 0.02 -1.87 -0.41 113.55 120.25 1aaz h SER 9 Ca -0.29 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.66 1aaz h SER 9 Cb 1.14 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.68 1aaz h SER 9 CO 0.72 0.00 0.00 0.78 -1.14 0.00 0.00 176.83 177.19 1aaz h ASN 10 N 0.00 0.00 0.00 3.07 2.35 -1.99 -3.27 115.58 115.73 1aaz h ASN 10 Ca 0.00 0.00 -0.29 0.00 -0.55 0.00 0.00 56.30 55.46 1aaz h ASN 10 Cb 0.14 0.00 -0.05 0.00 0.05 0.00 0.00 38.32 38.46 1aaz h ASN 10 CO 0.00 0.00 -2.05 -0.38 -1.65 0.00 0.00 177.43 173.35 1aaz n ILE 11 N -2.33 1.05 -3.60 2.81 5.41 -0.26 -4.98 119.36 117.46 1aaz n ILE 11 Ca 0.04 -0.36 -0.05 0.00 1.00 0.00 0.00 62.75 63.38 1aaz n ILE 11 Cb 0.38 -1.31 -0.07 0.00 -0.71 0.00 0.00 39.64 37.94 1aaz n ILE 11 CO 0.00 0.00 0.00 -2.28 0.00 0.00 0.00 176.55 174.27 1aaz s HIS 12 N -2.36 -1.02 0.11 1.39 5.04 -0.64 -4.80 115.29 113.00 1aaz s HIS 12 Ca -0.25 1.73 -0.34 0.00 -1.54 0.00 0.00 55.06 54.66 1aaz s HIS 12 Cb 0.07 0.45 -0.13 0.00 0.04 0.00 0.00 32.58 33.02 1aaz s HIS 12 CO 0.40 -0.59 1.65 1.63 -2.34 0.00 0.00 174.74 175.49 1aaz n LYS 13 N 5.41 2.19 -3.35 2.88 4.76 -1.23 -3.64 118.16 125.17 1aaz n LYS 13 Ca -0.09 0.79 -0.18 0.00 -2.87 0.00 0.00 58.31 55.96 1aaz n LYS 13 Cb 0.49 -2.58 -0.08 0.00 -1.84 0.00 0.00 35.03 31.02 1aaz n LYS 13 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1aaz h VAL 15 N 4.99 1.15 -0.88 0.00 2.07 -1.96 -0.81 116.25 120.80 1aaz h VAL 15 Ca 0.07 -0.31 0.01 0.00 0.82 0.00 0.00 66.70 67.30 1aaz h VAL 15 Cb 1.04 0.42 -0.05 0.00 -1.52 0.00 0.00 31.29 31.18 1aaz h VAL 15 CO 0.21 0.15 0.58 1.88 0.02 0.00 0.00 177.57 180.40 1aaz h TYR 16 N 0.70 1.10 -0.05 1.57 0.05 -1.96 -1.14 116.97 117.24 1aaz h TYR 16 Ca 0.19 0.03 -0.00 0.00 0.05 0.00 0.00 58.73 58.99 1aaz h TYR 16 Cb -0.04 -0.37 -0.00 0.00 1.01 0.00 0.00 36.73 37.33 1aaz h TYR 16 CO -0.03 0.68 0.03 0.00 -1.05 0.00 0.00 178.16 177.78 1aaz h ASP 18 N 0.00 0.27 -0.55 0.00 3.32 -0.93 -2.44 116.42 116.09 1aaz h ASP 18 Ca 0.02 0.07 -0.07 0.00 0.02 0.00 0.00 57.03 57.07 1aaz h ASP 18 Cb 0.06 0.04 -0.03 0.00 0.22 0.00 0.00 39.33 39.62 1aaz h ASP 18 CO -0.00 0.16 0.10 0.78 -1.72 0.00 0.00 179.24 178.56 1aaz h ASN 19 N 0.45 0.91 -0.37 6.45 2.35 -1.02 -0.74 115.58 123.60 1aaz h ASN 19 Ca 0.31 -0.20 -0.02 0.00 -0.55 0.00 0.00 56.30 55.84 1aaz h ASN 19 Cb 0.36 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 38.47 1aaz h ASN 19 CO -0.29 0.91 0.15 0.00 -1.65 0.00 0.00 177.43 176.55 1aaz h ALA 20 N 1.20 0.48 -0.66 -0.83 0.00 -0.80 -0.36 119.26 118.30 1aaz h ALA 20 Ca 0.19 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 1aaz h ALA 20 Cb 0.39 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 1aaz h ALA 20 CO 0.01 0.08 0.28 0.87 0.00 0.00 0.00 179.25 180.49 1aaz h LYS 21 N 0.46 0.98 -0.26 0.00 1.57 -1.26 -1.12 116.57 116.94 1aaz h LYS 21 Ca 0.12 -0.17 -0.01 0.00 -1.87 0.00 0.00 60.65 58.72 1aaz h LYS 21 Cb 0.18 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.31 1aaz h LYS 21 CO -0.01 0.81 0.13 -0.09 -0.57 0.00 0.00 179.45 179.72 1aaz h ARG 22 N 0.93 0.37 -0.13 3.15 2.43 -0.89 -1.47 114.38 118.76 1aaz h ARG 22 Ca 0.22 -0.05 0.01 0.00 -0.81 0.00 0.00 59.98 59.35 1aaz h ARG 22 Cb 0.19 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.66 1aaz h ARG 22 CO -0.02 0.35 0.07 1.25 -1.51 0.00 0.00 179.97 180.11 1aaz h LEU 23 N 0.29 0.10 -0.96 3.80 6.46 -0.73 -1.23 115.31 123.04 1aaz h LEU 23 Ca 0.09 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.85 1aaz h LEU 23 Cb 0.11 -0.02 -0.05 0.00 -0.73 0.00 0.00 40.66 39.97 1aaz h LEU 23 CO -0.01 0.08 0.60 -0.07 -0.62 0.00 0.00 178.44 178.42 1aaz h LEU 24 N 0.15 1.13 0.03 2.25 3.38 -1.10 -1.41 115.31 119.73 1aaz h LEU 24 Ca 0.05 -0.05 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 1aaz h LEU 24 Cb 0.00 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.47 1aaz h LEU 24 CO -0.03 0.84 -0.02 0.74 0.09 0.00 0.00 178.44 180.06 1aaz h THR 25 N 1.31 1.03 -0.99 0.22 2.02 -0.83 -1.11 112.91 114.56 1aaz h THR 25 Ca 0.35 -0.21 0.11 0.00 0.77 0.00 0.00 66.41 67.43 1aaz h THR 25 Cb -0.10 1.17 -0.08 0.00 -1.74 0.00 0.00 68.15 67.40 1aaz h THR 25 CO -0.07 0.05 0.62 0.58 0.37 0.00 0.00 175.52 177.07 1aaz h VAL 26 N -0.13 0.95 -0.01 3.16 2.07 -0.96 -0.67 116.25 120.65 1aaz h VAL 26 Ca -0.00 -0.35 0.00 0.00 0.82 0.00 0.00 66.70 67.17 1aaz h VAL 26 Cb 0.12 -0.15 0.00 0.00 -1.52 0.00 0.00 31.29 29.74 1aaz h VAL 26 CO 0.01 0.18 -0.01 0.29 0.02 0.00 0.00 177.57 178.06 1aaz n LYS 27 N -4.61 1.36 -3.18 1.57 4.76 -0.56 -4.95 118.16 112.56 1aaz n LYS 27 Ca 0.18 -0.58 -0.19 0.00 -2.87 0.00 0.00 58.31 54.85 1aaz n LYS 27 Cb 0.31 -1.49 0.05 0.00 -1.84 0.00 0.00 35.03 32.07 1aaz n LYS 27 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1aaz n LYS 28 N -0.31 -5.45 -3.63 1.97 5.02 -0.26 -4.99 118.16 110.51 1aaz n LYS 28 Ca 0.20 0.70 -0.37 0.00 -2.02 0.00 0.00 58.31 56.82 1aaz n LYS 28 Cb 0.27 -5.24 -0.10 0.00 -0.02 0.00 0.00 35.03 29.93 1aaz n LYS 28 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 1aaz s GLN 29 N -5.82 4.03 0.34 1.97 -1.52 -0.55 -5.04 119.66 113.07 1aaz s GLN 29 Ca 0.38 -0.28 -0.28 0.00 -1.95 0.00 0.00 55.36 53.23 1aaz s GLN 29 Cb -0.17 -3.58 -0.12 0.00 -0.22 0.00 0.00 33.01 28.92 1aaz s GLN 29 CO 0.47 -0.03 1.35 -2.30 -0.25 0.00 0.00 175.29 174.53 1aaz n PRO 30 N 4.57 2.26 -3.76 2.91 -0.02 -1.26 -4.51 135.00 135.19 1aaz n PRO 30 Ca -0.15 0.79 -0.12 0.00 -2.02 0.00 0.00 63.50 62.01 1aaz n PRO 30 Cb 0.52 -2.42 -0.08 0.00 -0.02 0.00 0.00 33.50 31.50 1aaz n PRO 30 CO 0.00 0.00 0.00 -0.59 1.98 0.00 0.00 175.50 176.89 1aaz s PHE 31 N -1.02 -0.13 -0.16 6.00 -0.71 -1.26 -1.11 117.98 119.58 1aaz s PHE 31 Ca 0.56 0.09 -0.03 0.00 -1.04 0.00 0.00 56.93 56.51 1aaz s PHE 31 Cb -0.55 0.09 -0.02 0.00 -1.21 0.00 0.00 43.02 41.33 1aaz s PHE 31 CO 0.62 -0.45 -0.06 -2.00 -1.34 0.00 0.00 175.22 171.98 1aaz s GLU 32 N -2.01 3.53 -0.18 1.99 2.12 0.12 -4.91 118.70 119.37 1aaz s GLU 32 Ca -0.09 -0.59 -0.07 0.00 0.36 0.00 0.00 54.97 54.58 1aaz s GLU 32 Cb -0.03 -2.86 -0.04 0.00 0.26 0.00 0.00 34.13 31.46 1aaz s GLU 32 CO 0.00 0.14 0.06 0.12 -0.54 0.00 0.00 175.26 175.04 1aaz s PHE 33 N 0.61 3.24 -0.26 5.30 5.36 -1.26 -0.99 117.98 129.98 1aaz s PHE 33 Ca -0.04 0.06 -0.02 0.00 -0.96 0.00 0.00 56.93 55.97 1aaz s PHE 33 Cb -0.15 -2.07 0.03 0.00 -0.34 0.00 0.00 43.02 40.49 1aaz s PHE 33 CO 0.03 0.15 -0.04 0.42 -1.46 0.00 0.00 175.22 174.32 1aaz s ILE 34 N 0.36 2.97 -0.22 3.12 1.01 0.68 -4.95 121.20 124.17 1aaz s ILE 34 Ca 0.03 -1.10 -0.27 0.00 0.00 0.00 0.00 60.65 59.32 1aaz s ILE 34 Cb -0.12 -2.56 -0.00 0.00 0.01 0.00 0.00 42.46 39.78 1aaz s ILE 34 CO 0.00 0.11 0.92 0.21 0.00 0.00 0.00 174.94 176.18 1aaz s ASN 35 N 1.32 6.97 0.00 3.58 3.84 -1.26 -1.24 114.94 128.14 1aaz s ASN 35 Ca -0.01 1.20 0.25 0.00 0.21 0.00 0.00 52.86 54.51 1aaz s ASN 35 Cb -0.17 -2.48 0.50 0.00 -0.55 0.00 0.00 41.25 38.54 1aaz s ASN 35 CO -0.03 -0.56 1.40 2.30 -2.79 0.00 0.00 177.10 177.42 1aaz n ILE 36 N 5.19 0.00 -3.51 -5.21 -5.35 -0.40 -4.39 119.36 105.69 1aaz n ILE 36 Ca 0.08 -0.14 -0.27 0.00 -0.27 0.00 0.00 62.75 62.15 1aaz n ILE 36 Cb 0.47 0.62 -0.10 0.00 -1.74 0.00 0.00 39.64 38.89 1aaz n ILE 36 CO 0.00 0.00 0.00 0.80 -1.76 0.00 0.00 176.55 175.59 1aaz n MET 37 N -0.62 0.91 0.31 6.28 1.56 -1.26 -0.66 117.12 123.64 1aaz n MET 37 Ca 0.10 -3.68 0.20 0.00 -0.27 0.00 0.00 57.70 54.06 1aaz n MET 37 Cb 0.38 -1.83 1.02 0.00 2.15 0.00 0.00 33.22 34.93 1aaz n MET 37 CO 0.00 0.00 0.00 -1.35 -0.73 0.00 0.00 175.97 173.89 1aaz h PRO 38 N 5.23 0.00 -3.67 2.12 0.11 -1.75 -3.43 132.00 130.62 1aaz h PRO 38 Ca 0.20 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 66.24 1aaz h PRO 38 Cb 0.84 0.00 -0.13 0.00 0.11 0.00 0.00 31.00 31.82 1aaz h PRO 38 CO 0.52 0.00 -0.25 -2.00 -0.21 0.00 0.00 178.00 176.06 1aaz s GLU 39 N -3.96 0.98 -0.18 1.05 2.12 -1.25 -5.07 118.70 112.40 1aaz s GLU 39 Ca -0.03 -0.91 -0.34 0.00 0.36 0.00 0.00 54.97 54.05 1aaz s GLU 39 Cb 0.11 0.40 -0.11 0.00 0.26 0.00 0.00 34.13 34.79 1aaz s GLU 39 CO 0.43 -0.35 1.98 1.63 -0.54 0.00 0.00 175.26 178.41 1aaz n LYS 40 N -0.15 1.81 -2.36 4.30 5.02 -1.26 -0.79 118.16 124.73 1aaz n LYS 40 Ca -0.14 0.62 -0.15 0.00 -2.02 0.00 0.00 58.31 56.62 1aaz n LYS 40 Cb 0.63 -2.62 -0.00 0.00 -0.02 0.00 0.00 35.03 33.02 1aaz n LYS 40 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1aaz n GLY 41 N 5.02 -0.23 2.77 0.72 0.00 -1.26 -4.98 105.19 107.22 1aaz n GLY 41 Ca 0.28 -0.24 -0.30 0.00 0.00 0.00 0.00 46.02 45.76 1aaz n GLY 41 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1aaz s VAL 42 N -2.78 0.95 0.13 1.61 1.01 0.03 -5.11 120.40 116.23 1aaz s VAL 42 Ca 0.03 -1.28 -0.26 0.00 0.00 0.00 0.00 61.98 60.47 1aaz s VAL 42 Cb -0.01 -1.62 -0.07 0.00 0.00 0.00 0.00 36.38 34.67 1aaz s VAL 42 CO 0.04 -0.54 0.79 -0.36 0.00 0.00 0.00 175.10 175.04 1aaz s PHE 43 N 1.60 3.85 -0.79 5.22 0.08 -1.26 -3.13 117.98 123.56 1aaz s PHE 43 Ca 0.06 1.61 -0.26 0.00 0.12 0.00 0.00 56.93 58.46 1aaz s PHE 43 Cb -0.17 -2.82 0.03 0.00 -0.57 0.00 0.00 43.02 39.49 1aaz s PHE 43 CO -0.20 0.41 1.31 0.34 -0.10 0.00 0.00 175.22 176.98 1aaz s ASP 44 N -0.71 6.22 0.37 1.36 -1.08 0.17 -4.89 116.67 118.11 1aaz s ASP 44 Ca 0.38 -0.63 0.05 0.00 -0.52 0.00 0.00 52.55 51.82 1aaz s ASP 44 Cb -0.22 -2.56 0.73 0.00 -1.46 0.00 0.00 42.92 39.41 1aaz s ASP 44 CO 0.26 -1.78 2.02 0.44 0.52 0.00 0.00 175.17 176.63 1aaz h ASP 45 N 9.98 0.63 0.73 -0.34 3.32 -1.95 -1.57 116.42 127.23 1aaz h ASP 45 Ca -0.20 -0.01 -0.03 0.00 0.02 0.00 0.00 57.03 56.81 1aaz h ASP 45 Cb 1.04 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 40.44 1aaz h ASP 45 CO 1.30 0.44 -0.39 -0.08 -1.72 0.00 0.00 179.24 178.80 1aaz h GLU 46 N 0.74 -1.00 0.00 3.56 4.81 -1.99 -0.53 114.58 120.17 1aaz h GLU 46 Ca 0.22 0.07 -0.06 0.00 -0.13 0.00 0.00 59.36 59.46 1aaz h GLU 46 Cb -0.00 0.23 -0.01 0.00 0.63 0.00 0.00 28.75 29.60 1aaz h GLU 46 CO -0.06 -0.66 -0.29 0.87 -0.73 0.00 0.00 179.01 178.14 1aaz h LYS 47 N -1.03 0.00 -0.39 1.92 1.79 -1.92 -0.96 116.57 115.98 1aaz h LYS 47 Ca -0.10 0.00 -0.07 0.00 -2.18 0.00 0.00 60.65 58.30 1aaz h LYS 47 Cb 0.81 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.45 1aaz h LYS 47 CO 0.14 0.29 -0.04 0.82 -1.08 0.00 0.00 179.45 179.58 1aaz h ILE 48 N 0.00 1.27 -0.87 1.86 2.04 -1.20 -2.13 117.51 118.48 1aaz h ILE 48 Ca -0.00 -1.08 0.02 0.00 1.00 0.00 0.00 64.86 64.80 1aaz h ILE 48 Cb 0.82 1.18 -0.05 0.00 -0.74 0.00 0.00 36.82 38.04 1aaz h ILE 48 CO 0.04 0.36 0.57 0.00 0.00 0.00 0.00 178.15 179.12 1aaz h ALA 49 N 0.86 1.12 -0.18 1.87 0.00 -0.29 -1.02 119.26 121.62 1aaz h ALA 49 Ca 0.11 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 1aaz h ALA 49 Cb 0.53 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1aaz h ALA 49 CO 0.03 0.46 0.10 1.49 0.00 0.00 0.00 179.25 181.33 1aaz h GLU 50 N 1.14 0.26 -0.11 0.00 4.81 -0.97 -1.85 114.58 117.85 1aaz h GLU 50 Ca 0.33 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.53 1aaz h GLU 50 Cb -0.08 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.25 1aaz h GLU 50 CO -0.09 0.25 0.06 1.25 -0.73 0.00 0.00 179.01 179.75 1aaz h LEU 51 N 0.20 0.13 -1.45 1.64 5.85 -0.77 -1.25 115.31 119.66 1aaz h LEU 51 Ca 0.06 -0.07 -0.00 0.00 0.84 0.00 0.00 57.88 58.72 1aaz h LEU 51 Cb 0.06 -0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.03 1aaz h LEU 51 CO -0.01 0.16 0.31 -0.07 -0.34 0.00 0.00 178.44 178.49 1aaz h LEU 52 N 0.09 0.60 -0.53 2.25 3.38 -1.13 -1.02 115.31 118.95 1aaz h LEU 52 Ca 0.04 -0.03 -0.13 0.00 0.09 0.00 0.00 57.88 57.85 1aaz h LEU 52 Cb 0.06 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 1aaz h LEU 52 CO -0.01 0.46 -0.19 0.74 0.09 0.00 0.00 178.44 179.53 1aaz h THR 53 N 0.70 1.27 0.00 0.22 2.02 -1.08 0.45 112.91 116.49 1aaz h THR 53 Ca 0.18 -1.35 -0.04 0.00 0.77 0.00 0.00 66.41 65.97 1aaz h THR 53 Cb -0.03 1.08 -0.01 0.00 -1.74 0.00 0.00 68.15 67.46 1aaz h THR 53 CO -0.04 0.47 -0.19 0.11 0.37 0.00 0.00 175.52 176.25 1aaz h LYS 54 N 0.86 0.00 0.04 6.66 1.57 -0.19 -3.19 116.57 122.32 1aaz h LYS 54 Ca 0.12 0.00 -0.33 0.00 -1.87 0.00 0.00 60.65 58.57 1aaz h LYS 54 Cb 0.76 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 33.03 1aaz h LYS 54 CO 0.06 0.19 -1.90 1.28 -0.57 0.00 0.00 179.45 178.51 1aaz n LEU 55 N -3.45 1.54 0.00 2.94 4.77 -0.49 -4.99 117.00 117.32 1aaz n LEU 55 Ca -0.01 0.28 0.00 0.00 -0.03 0.00 0.00 56.01 56.26 1aaz n LEU 55 Cb 0.36 -0.31 0.00 0.00 -2.33 0.00 0.00 43.42 41.14 1aaz n LEU 55 CO 0.32 0.59 0.00 0.61 -1.33 0.00 0.00 177.39 177.58 1aaz n GLY 56 N 1.76 0.80 3.96 -0.72 0.00 0.11 -5.08 105.19 106.02 1aaz n GLY 56 Ca -0.25 -0.65 -0.22 0.00 0.00 0.00 0.00 46.02 44.90 1aaz n GLY 56 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1aaz s ARG 57 N -2.58 3.18 0.00 1.61 1.81 -0.93 -5.01 118.95 117.02 1aaz s ARG 57 Ca 0.00 -0.62 0.00 0.00 -1.72 0.00 0.00 55.73 53.39 1aaz s ARG 57 Cb 0.00 -2.67 0.00 0.00 -0.45 0.00 0.00 34.95 31.83 1aaz s ARG 57 CO 0.00 -0.06 0.71 -0.25 -0.68 0.00 0.00 175.30 175.02 1aaz n ASP 58 N -1.87 1.08 -3.92 0.23 8.00 -1.26 -4.64 116.55 114.17 1aaz n ASP 58 Ca -0.01 -1.49 -0.10 0.00 0.71 0.00 0.00 54.79 53.91 1aaz n ASP 58 Cb 0.57 0.00 -0.10 0.00 -0.02 0.00 0.00 41.12 41.58 1aaz n ASP 58 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1aaz s THR 59 N -0.49 0.12 -0.48 -3.53 -4.23 -1.26 -5.04 115.64 100.74 1aaz s THR 59 Ca 0.00 -0.99 0.14 0.00 -1.18 0.00 0.00 61.69 59.67 1aaz s THR 59 Cb 0.00 -0.74 0.46 0.00 1.34 0.00 0.00 72.50 73.57 1aaz s THR 59 CO 0.00 -0.54 1.37 1.67 -0.54 0.00 0.00 174.62 176.58 1aaz n GLN 60 N 0.99 2.97 0.09 3.99 0.00 -1.26 -4.70 117.38 119.47 1aaz n GLN 60 Ca -0.20 -2.57 -0.22 0.00 -0.00 0.00 0.00 57.00 54.01 1aaz n GLN 60 Cb 0.57 -1.65 -0.15 0.00 0.00 0.00 0.00 30.24 29.02 1aaz n GLN 60 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.06 178.03 1aaz h ILE 61 N 1.99 1.07 -0.14 1.69 2.10 -2.03 -3.29 117.51 118.91 1aaz h ILE 61 Ca 0.00 -2.63 0.00 0.00 1.08 0.00 0.00 64.86 63.31 1aaz h ILE 61 Cb 1.20 2.83 0.00 0.00 -1.09 0.00 0.00 36.82 39.76 1aaz h ILE 61 CO 0.15 0.84 0.00 0.61 -1.08 0.00 0.00 178.15 178.67 1aaz n GLY 62 N 1.78 0.52 3.73 8.18 0.00 -1.26 -4.92 105.19 113.22 1aaz n GLY 62 Ca -0.21 -0.17 -0.37 0.00 0.00 0.00 0.00 46.02 45.27 1aaz n GLY 62 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1aaz s LEU 63 N -0.83 4.26 0.52 0.99 2.96 -1.24 -5.04 118.68 120.29 1aaz s LEU 63 Ca 0.10 0.61 -0.16 0.00 -0.22 0.00 0.00 54.13 54.46 1aaz s LEU 63 Cb 0.06 -2.48 -0.08 0.00 0.50 0.00 0.00 46.19 44.20 1aaz s LEU 63 CO 0.05 0.07 0.99 0.42 -1.32 0.00 0.00 176.35 176.56 1aaz s THR 64 N 0.50 4.52 0.05 3.68 -4.23 -1.26 -5.05 115.64 113.85 1aaz s THR 64 Ca 0.20 1.21 0.07 0.00 -1.18 0.00 0.00 61.69 61.98 1aaz s THR 64 Cb -0.14 -3.72 -0.03 0.00 1.34 0.00 0.00 72.50 69.95 1aaz s THR 64 CO 0.06 -0.69 -0.17 -0.04 -0.54 0.00 0.00 174.62 173.24 1aaz s MET 65 N -4.08 2.09 0.95 3.99 -1.94 -1.26 -4.47 119.30 114.58 1aaz s MET 65 Ca 0.59 -0.98 -0.15 0.00 -1.71 0.00 0.00 55.69 53.44 1aaz s MET 65 Cb -0.10 -2.22 0.18 0.00 2.01 0.00 0.00 34.83 34.71 1aaz s MET 65 CO 0.32 0.54 1.27 -1.25 -0.01 0.00 0.00 175.02 175.89 1aaz s PRO 66 N -1.55 0.73 -0.19 2.03 0.04 -1.26 -4.48 135.00 130.33 1aaz s PRO 66 Ca 0.16 -0.26 0.01 0.00 0.04 0.00 0.00 61.00 60.95 1aaz s PRO 66 Cb -0.11 -1.84 0.02 0.00 0.04 0.00 0.00 34.50 32.62 1aaz s PRO 66 CO 0.06 -2.38 -0.19 -0.65 0.04 0.00 0.00 177.00 173.88 1aaz s GLN 67 N -5.77 2.92 -0.07 4.56 -1.52 -0.48 -3.78 119.66 115.53 1aaz s GLN 67 Ca 0.71 -0.87 0.02 0.00 -1.95 0.00 0.00 55.36 53.27 1aaz s GLN 67 Cb -0.06 -2.59 -0.02 0.00 -0.22 0.00 0.00 33.01 30.11 1aaz s GLN 67 CO 0.53 -0.24 -0.13 0.08 -0.25 0.00 0.00 175.29 175.28 1aaz s VAL 68 N 1.28 3.18 -0.04 1.09 1.01 0.45 -0.62 120.40 126.74 1aaz s VAL 68 Ca 0.04 -0.66 0.07 0.00 0.00 0.00 0.00 61.98 61.43 1aaz s VAL 68 Cb -0.14 -2.28 -0.02 0.00 0.00 0.00 0.00 36.38 33.95 1aaz s VAL 68 CO -0.12 0.57 -0.25 -0.36 0.00 0.00 0.00 175.10 174.94 1aaz s PHE 69 N -0.45 2.35 0.88 5.22 0.40 -0.05 -0.95 117.98 125.37 1aaz s PHE 69 Ca 0.06 -0.56 -0.11 0.00 -0.60 0.00 0.00 56.93 55.71 1aaz s PHE 69 Cb -0.12 -1.52 0.12 0.00 0.51 0.00 0.00 43.02 42.00 1aaz s PHE 69 CO 0.02 -0.12 1.09 0.00 0.70 0.00 0.00 175.22 176.91 1aaz s ALA 70 N -0.39 1.64 0.66 5.36 0.00 0.18 -1.31 121.76 127.91 1aaz s ALA 70 Ca 0.04 0.07 0.30 0.00 0.00 0.00 0.00 51.96 52.37 1aaz s ALA 70 Cb -0.12 -3.24 1.62 0.00 0.00 0.00 0.00 23.12 21.39 1aaz s ALA 70 CO 0.01 -2.29 1.92 -1.35 0.00 0.00 0.00 175.76 174.05 1aaz h PRO 71 N -1.51 0.00 -0.49 0.00 0.11 -1.90 -1.40 132.00 126.81 1aaz h PRO 71 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1aaz h PRO 71 Cb 1.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 1aaz h PRO 71 CO 0.52 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 177.91 1aaz n ASP 72 N -2.96 3.56 0.00 -2.05 5.68 -1.26 -4.79 116.55 114.74 1aaz n ASP 72 Ca -0.01 -2.15 0.00 0.00 -0.50 0.00 0.00 54.79 52.13 1aaz n ASP 72 Cb 0.40 -0.38 0.00 0.00 -1.14 0.00 0.00 41.12 40.00 1aaz n ASP 72 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1aaz n GLY 73 N 0.83 3.32 3.75 6.12 0.00 -0.53 -5.06 105.19 113.63 1aaz n GLY 73 Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 1aaz n GLY 73 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1aaz s SER 74 N -1.05 6.40 -0.20 1.61 0.01 -1.26 -4.63 113.70 114.58 1aaz s SER 74 Ca 0.00 2.93 -0.29 0.00 1.31 0.00 0.00 55.95 59.90 1aaz s SER 74 Cb 0.00 -2.64 -0.01 0.00 0.21 0.00 0.00 66.02 63.58 1aaz s SER 74 CO 0.00 -0.89 1.34 -2.28 0.41 0.00 0.00 173.24 171.82 1aaz s HIS 75 N -0.13 2.66 -0.22 2.43 2.46 -1.26 -0.64 115.29 120.59 1aaz s HIS 75 Ca 0.62 0.86 -0.16 0.00 0.47 0.00 0.00 55.06 56.84 1aaz s HIS 75 Cb -0.47 -3.70 -0.11 0.00 -0.13 0.00 0.00 32.58 28.16 1aaz s HIS 75 CO 0.49 -1.99 -0.17 -0.89 -2.47 0.00 0.00 174.74 169.71 1aaz n ILE 76 N 5.74 1.51 0.00 0.89 5.41 -0.13 -4.96 119.36 127.81 1aaz n ILE 76 Ca 0.15 -0.09 0.00 0.00 1.00 0.00 0.00 62.75 63.81 1aaz n ILE 76 Cb 0.45 -2.10 0.00 0.00 -0.71 0.00 0.00 39.64 37.28 1aaz n ILE 76 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1aaz n GLY 77 N 1.40 0.15 0.56 7.39 0.00 -0.91 -4.78 105.19 109.00 1aaz n GLY 77 Ca -0.33 -1.84 -0.04 0.00 0.00 0.00 0.00 46.02 43.81 1aaz n GLY 77 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1aaz n GLY 78 N 0.00 -0.56 0.33 -0.02 0.00 -1.25 -0.41 105.19 103.29 1aaz n GLY 78 Ca 0.00 -1.77 0.03 0.00 0.00 0.00 0.00 46.02 44.28 1aaz n GLY 78 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1aaz h PHE 79 N -0.89 0.75 -0.24 1.61 3.57 -1.84 -1.14 116.94 118.76 1aaz h PHE 79 Ca -0.06 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.46 1aaz h PHE 79 Cb 0.17 -0.25 -0.01 0.00 2.79 0.00 0.00 35.95 38.65 1aaz h PHE 79 CO 0.00 0.46 0.16 -0.44 -2.23 0.00 0.00 178.31 176.26 1aaz h ASP 80 N 0.79 0.28 -0.51 0.41 3.32 -1.97 -0.54 116.42 118.20 1aaz h ASP 80 Ca 0.23 -0.01 -0.08 0.00 0.02 0.00 0.00 57.03 57.20 1aaz h ASP 80 Cb -0.03 -0.07 -0.02 0.00 0.22 0.00 0.00 39.33 39.43 1aaz h ASP 80 CO -0.06 0.20 0.02 1.56 -1.72 0.00 0.00 179.24 179.24 1aaz h GLN 81 N 0.33 0.89 -0.66 3.56 1.08 -1.81 -1.53 115.11 116.98 1aaz h GLN 81 Ca 0.09 -0.28 -0.03 0.00 -1.45 0.00 0.00 58.65 56.98 1aaz h GLN 81 Cb -0.04 -0.08 -0.03 0.00 -0.05 0.00 0.00 27.48 27.28 1aaz h GLN 81 CO -0.02 0.91 0.27 1.25 -0.95 0.00 0.00 178.83 180.30 1aaz h LEU 82 N 0.76 0.87 -0.90 1.46 5.85 -1.05 0.17 115.31 122.48 1aaz h LEU 82 Ca 0.15 -0.11 -0.06 0.00 0.84 0.00 0.00 57.88 58.69 1aaz h LEU 82 Cb 0.50 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 41.28 1aaz h LEU 82 CO 0.02 0.77 0.14 -0.09 -0.34 0.00 0.00 178.44 178.95 1aaz h ARG 83 N 0.94 0.96 -0.30 1.25 2.43 -0.88 -2.36 114.38 116.41 1aaz h ARG 83 Ca 0.22 -0.21 -0.09 0.00 -0.81 0.00 0.00 59.98 59.09 1aaz h ARG 83 Cb 0.16 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 29.56 1aaz h ARG 83 CO -0.02 0.86 -0.19 0.93 -1.51 0.00 0.00 179.97 180.03 1aaz h GLU 84 N 0.91 0.56 -0.15 0.20 4.39 -0.17 -3.16 114.58 117.16 1aaz h GLU 84 Ca 0.20 -0.19 0.02 0.00 0.34 0.00 0.00 59.36 59.72 1aaz h GLU 84 Cb 0.34 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 28.94 1aaz h GLU 84 CO 0.00 0.72 0.11 -0.92 -1.16 0.00 0.00 179.01 177.76 1aaz h TYR 85 N 0.50 0.12 -0.58 4.33 3.20 -0.18 -2.54 116.97 121.82 1aaz h TYR 85 Ca 0.08 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.95 1aaz h TYR 85 Cb 0.61 -0.04 0.00 0.00 1.54 0.00 0.00 36.73 38.84 1aaz h TYR 85 CO 0.02 0.07 0.00 1.19 -1.64 0.00 0.00 178.16 177.80 1aaz n PHE 86 N -4.51 0.77 1.77 -3.82 3.72 -1.16 -5.10 117.46 109.13 1aaz n PHE 86 Ca -0.00 -0.39 0.14 0.00 -0.05 0.00 0.00 57.45 57.16 1aaz n PHE 86 Cb 0.15 0.00 0.84 0.00 -0.94 0.00 0.00 39.48 39.53 1aaz n PHE 86 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34