#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1de2 n PHE 2 N 0.00 0.43 -4.07 1.12 3.72 -1.26 -3.96 117.46 113.44 1de2 n PHE 2 Ca 0.00 0.90 -0.35 0.00 -0.05 0.00 0.00 57.45 57.95 1de2 n PHE 2 Cb 0.00 -2.10 -0.13 0.00 -0.94 0.00 0.00 39.48 36.31 1de2 n PHE 2 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 1de2 s LYS 3 N -0.57 3.57 0.01 -1.08 3.01 0.36 0.19 119.74 125.23 1de2 s LYS 3 Ca 0.74 -0.54 0.04 0.00 -1.01 0.00 0.00 55.97 55.20 1de2 s LYS 3 Cb -0.99 -3.05 -0.03 0.00 -1.01 0.00 0.00 37.83 32.74 1de2 s LYS 3 CO 0.55 -0.01 -0.09 0.08 0.51 0.00 0.00 175.35 176.39 1de2 s VAL 4 N 1.06 3.49 -0.30 3.17 1.01 0.21 0.20 120.40 129.23 1de2 s VAL 4 Ca 0.02 -0.84 0.02 0.00 0.00 0.00 0.00 61.98 61.18 1de2 s VAL 4 Cb -0.14 -2.51 0.09 0.00 0.00 0.00 0.00 36.38 33.82 1de2 s VAL 4 CO 0.01 0.39 0.02 -0.31 0.00 0.00 0.00 175.10 175.22 1de2 s TYR 5 N -0.97 2.80 0.00 5.22 1.51 0.41 0.10 117.35 126.42 1de2 s TYR 5 Ca 0.16 -2.28 0.00 0.00 -1.01 0.00 0.00 57.07 53.95 1de2 s TYR 5 Cb -0.11 -2.17 0.00 0.00 -0.11 0.00 0.00 41.96 39.57 1de2 s TYR 5 CO 0.07 -0.88 0.00 0.41 -1.11 0.00 0.00 175.55 174.04 1de2 n GLY 6 N 4.54 3.04 3.40 0.71 0.00 -0.92 -0.14 105.19 115.82 1de2 n GLY 6 Ca -0.03 -0.13 -0.21 0.00 0.00 0.00 0.00 46.02 45.65 1de2 n GLY 6 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1de2 s TYR 7 N 0.07 1.95 -0.40 1.61 2.02 -1.26 -2.72 117.35 118.62 1de2 s TYR 7 Ca 0.00 -0.51 0.06 0.00 -0.37 0.00 0.00 57.07 56.25 1de2 s TYR 7 Cb 0.00 -0.91 0.64 0.00 -0.40 0.00 0.00 41.96 41.28 1de2 s TYR 7 CO 0.00 0.47 1.80 -0.25 -1.57 0.00 0.00 175.55 176.00 1de2 n ASP 8 N -0.49 3.56 0.00 2.29 8.00 -1.26 -4.87 116.55 123.77 1de2 n ASP 8 Ca -0.07 -3.61 0.00 0.00 0.71 0.00 0.00 54.79 51.82 1de2 n ASP 8 Cb 0.61 -0.78 0.00 0.00 -0.02 0.00 0.00 41.12 40.92 1de2 n ASP 8 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1de2 n SER 9 N -1.05 -5.02 -0.08 -2.24 3.41 -1.25 -4.85 113.62 102.55 1de2 n SER 9 Ca 0.52 0.00 -0.12 0.00 -0.26 0.00 0.00 58.87 59.01 1de2 n SER 9 Cb 1.50 -2.59 -0.07 0.00 -0.26 0.00 0.00 64.21 62.79 1de2 n SER 9 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 175.04 173.75 1de2 h ASN 10 N 0.00 0.00 0.42 4.04 -0.73 -1.98 -3.42 115.58 113.91 1de2 h ASN 10 Ca 0.00 -0.32 -0.17 0.00 1.87 0.00 0.00 56.30 57.67 1de2 h ASN 10 Cb 0.69 0.00 -0.03 0.00 0.27 0.00 0.00 38.32 39.25 1de2 h ASN 10 CO 0.00 1.02 -1.73 -0.38 -0.37 0.00 0.00 177.43 175.97 1de2 n ILE 11 N -4.57 0.99 -3.76 2.57 -0.00 -1.26 -4.94 119.36 108.39 1de2 n ILE 11 Ca -0.16 -0.69 -0.13 0.00 -0.00 0.00 0.00 62.75 61.78 1de2 n ILE 11 Cb 0.41 -0.52 -0.12 0.00 -0.00 0.00 0.00 39.64 39.40 1de2 n ILE 11 CO 0.00 0.00 0.00 -2.28 -0.00 0.00 0.00 176.55 174.27 1de2 s HIS 12 N -2.96 -0.29 0.19 1.39 2.46 -1.26 -4.99 115.29 109.82 1de2 s HIS 12 Ca -0.05 0.71 -0.32 0.00 0.47 0.00 0.00 55.06 55.87 1de2 s HIS 12 Cb 0.09 0.07 -0.11 0.00 -0.13 0.00 0.00 32.58 32.50 1de2 s HIS 12 CO 0.83 -0.18 1.68 0.21 -2.47 0.00 0.00 174.74 174.81 1de2 s LYS 13 N 0.71 4.15 -0.41 2.88 2.20 -1.26 -3.81 119.74 124.19 1de2 s LYS 13 Ca -0.05 2.53 0.08 0.00 -0.36 0.00 0.00 55.97 58.16 1de2 s LYS 13 Cb -0.06 -3.14 0.18 0.00 -1.51 0.00 0.00 37.83 33.30 1de2 s LYS 13 CO -0.04 -0.71 0.62 0.00 -0.36 0.00 0.00 175.35 174.85 1de2 h VAL 15 N 5.00 1.33 -0.38 0.00 -1.51 -1.99 -3.21 116.25 115.49 1de2 h VAL 15 Ca 0.05 -2.14 0.11 0.00 -1.23 0.00 0.00 66.70 63.49 1de2 h VAL 15 Cb 1.16 2.15 -0.02 0.00 -2.13 0.00 0.00 31.29 32.46 1de2 h VAL 15 CO 0.10 0.66 0.29 1.88 -1.23 0.00 0.00 177.57 179.27 1de2 h TYR 16 N 0.39 0.00 0.71 5.19 -1.99 -1.97 -0.94 116.97 118.36 1de2 h TYR 16 Ca -0.06 0.00 -0.03 0.00 2.00 0.00 0.00 58.73 60.63 1de2 h TYR 16 Cb 1.45 0.00 0.01 0.00 2.00 0.00 0.00 36.73 40.19 1de2 h TYR 16 CO 0.07 0.00 -0.34 0.00 -0.00 0.00 0.00 178.16 177.89 1de2 h ASP 18 N -1.19 0.63 -0.46 0.00 1.82 -1.58 -1.24 116.42 114.40 1de2 h ASP 18 Ca -0.10 0.01 -0.09 0.00 -0.39 0.00 0.00 57.03 56.46 1de2 h ASP 18 Cb 0.73 -0.12 -0.02 0.00 0.68 0.00 0.00 39.33 40.60 1de2 h ASP 18 CO 0.16 0.39 -0.06 0.78 -1.61 0.00 0.00 179.24 178.90 1de2 h ASN 19 N 0.70 0.89 0.14 2.28 2.35 -1.12 -2.69 115.58 118.14 1de2 h ASN 19 Ca 0.33 -0.26 -0.18 0.00 -0.55 0.00 0.00 56.30 55.64 1de2 h ASN 19 Cb 0.36 -0.24 -0.00 0.00 0.05 0.00 0.00 38.32 38.48 1de2 h ASN 19 CO -0.11 0.99 -0.67 0.00 -1.65 0.00 0.00 177.43 175.99 1de2 h ALA 20 N 1.10 0.61 -0.49 -0.83 0.00 -0.13 -2.84 119.26 116.68 1de2 h ALA 20 Ca 0.14 -0.57 0.00 0.00 0.00 0.00 0.00 54.91 54.49 1de2 h ALA 20 Cb 0.57 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 1de2 h ALA 20 CO 0.03 0.73 0.31 -0.22 0.00 0.00 0.00 179.25 180.10 1de2 h LYS 21 N 0.35 0.65 -0.45 0.00 3.64 -1.11 -1.35 116.57 118.30 1de2 h LYS 21 Ca -0.02 -0.04 -0.14 0.00 -1.27 0.00 0.00 60.65 59.18 1de2 h LYS 21 Cb 1.23 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 32.90 1de2 h LYS 21 CO 0.12 0.44 -0.26 -0.09 -2.27 0.00 0.00 179.45 177.39 1de2 h ARG 22 N 0.67 0.96 -0.00 1.90 1.12 -1.33 -2.24 114.38 115.45 1de2 h ARG 22 Ca 0.18 -0.43 0.03 0.00 -1.11 0.00 0.00 59.98 58.64 1de2 h ARG 22 Cb -0.06 -0.02 -0.04 0.00 -0.01 0.00 0.00 29.97 29.84 1de2 h ARG 22 CO -0.04 1.10 -0.19 1.25 -3.11 0.00 0.00 179.97 178.99 1de2 h LEU 23 N 0.82 -0.54 -1.27 3.80 6.46 -1.03 0.22 115.31 123.76 1de2 h LEU 23 Ca 0.10 0.08 0.05 0.00 -0.12 0.00 0.00 57.88 57.99 1de2 h LEU 23 Cb 0.83 0.23 -0.05 0.00 -0.73 0.00 0.00 40.66 40.94 1de2 h LEU 23 CO 0.07 -0.25 0.52 -0.07 -0.62 0.00 0.00 178.44 178.09 1de2 h LEU 24 N -0.30 0.79 -0.99 2.25 3.38 -1.36 0.70 115.31 119.79 1de2 h LEU 24 Ca 0.06 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.02 1de2 h LEU 24 Cb 0.37 -0.17 -0.05 0.00 0.09 0.00 0.00 40.66 40.91 1de2 h LEU 24 CO -0.18 0.52 0.58 0.74 0.09 0.00 0.00 178.44 180.19 1de2 h THR 25 N 0.91 1.26 -0.02 0.22 2.02 -0.62 0.24 112.91 116.92 1de2 h THR 25 Ca 0.33 -0.54 -0.19 0.00 0.77 0.00 0.00 66.41 66.79 1de2 h THR 25 Cb 0.17 -0.09 -0.01 0.00 -1.74 0.00 0.00 68.15 66.48 1de2 h THR 25 CO -0.11 0.26 -0.80 0.58 0.37 0.00 0.00 175.52 175.82 1de2 h VAL 26 N 1.30 1.45 0.00 3.16 2.07 0.10 -2.85 116.25 121.48 1de2 h VAL 26 Ca 0.34 -2.42 0.00 0.00 0.82 0.00 0.00 66.70 65.44 1de2 h VAL 26 Cb -0.07 2.32 0.00 0.00 -1.52 0.00 0.00 31.29 32.02 1de2 h VAL 26 CO -0.07 0.71 0.00 0.29 0.02 0.00 0.00 177.57 178.52 1de2 n LYS 27 N -3.73 0.04 -3.31 1.57 4.76 0.22 -4.89 118.16 112.82 1de2 n LYS 27 Ca -0.04 0.10 -0.24 0.00 -2.87 0.00 0.00 58.31 55.27 1de2 n LYS 27 Cb 0.75 -1.50 0.05 0.00 -1.84 0.00 0.00 35.03 32.49 1de2 n LYS 27 CO 0.00 0.00 0.00 0.36 -1.37 0.00 0.00 177.40 176.39 1de2 n LYS 28 N -1.47 -5.99 -4.03 1.97 2.85 0.76 -4.98 118.16 107.27 1de2 n LYS 28 Ca 0.06 0.84 -0.31 0.00 -1.05 0.00 0.00 58.31 57.85 1de2 n LYS 28 Cb 0.26 -5.77 -0.15 0.00 -0.65 0.00 0.00 35.03 28.72 1de2 n LYS 28 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 177.40 176.70 1de2 s GLN 29 N -6.01 1.80 1.04 -1.58 -1.52 -0.67 -5.05 119.66 107.68 1de2 s GLN 29 Ca 0.44 -1.58 -0.23 0.00 -1.95 0.00 0.00 55.36 52.05 1de2 s GLN 29 Cb -0.20 -3.00 -0.07 0.00 -0.22 0.00 0.00 33.01 29.52 1de2 s GLN 29 CO 0.54 -0.76 -0.80 -0.35 -0.25 0.00 0.00 175.29 173.67 1de2 n PRO 30 N 4.37 -0.62 -3.82 2.91 -0.04 -1.26 -4.68 135.00 131.86 1de2 n PRO 30 Ca -0.05 -0.17 -0.06 0.00 -0.04 0.00 0.00 63.50 63.18 1de2 n PRO 30 Cb 0.42 -1.31 -0.01 0.00 -0.04 0.00 0.00 33.50 32.56 1de2 n PRO 30 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 1de2 s PHE 31 N -2.11 -0.14 -0.05 0.54 -0.71 -1.26 -4.25 117.98 110.00 1de2 s PHE 31 Ca 0.45 -0.27 -0.01 0.00 -1.04 0.00 0.00 56.93 56.06 1de2 s PHE 31 Cb -0.02 0.69 0.03 0.00 -1.21 0.00 0.00 43.02 42.51 1de2 s PHE 31 CO 0.68 -1.09 0.02 -2.00 -1.34 0.00 0.00 175.22 171.49 1de2 s GLU 32 N -3.53 0.26 0.44 1.99 -6.30 0.51 -4.81 118.70 107.26 1de2 s GLU 32 Ca 0.12 0.20 -0.04 0.00 -2.50 0.00 0.00 54.97 52.75 1de2 s GLU 32 Cb -0.04 -0.65 -0.04 0.00 0.00 0.00 0.00 34.13 33.40 1de2 s GLU 32 CO 0.05 -0.26 0.71 0.12 0.02 0.00 0.00 175.26 175.91 1de2 s PHE 33 N 1.76 3.54 -0.11 5.30 5.36 -1.26 -0.62 117.98 131.95 1de2 s PHE 33 Ca 0.01 0.69 -0.04 0.00 -0.96 0.00 0.00 56.93 56.62 1de2 s PHE 33 Cb -0.13 -2.19 0.06 0.00 -0.34 0.00 0.00 43.02 40.42 1de2 s PHE 33 CO -0.03 -0.15 0.22 0.42 -1.46 0.00 0.00 175.22 174.21 1de2 s ILE 34 N -2.60 -0.33 -0.00 3.12 1.01 0.28 -4.75 121.20 117.93 1de2 s ILE 34 Ca 0.45 0.30 -0.27 0.00 0.00 0.00 0.00 60.65 61.13 1de2 s ILE 34 Cb -0.10 -0.38 -0.04 0.00 0.01 0.00 0.00 42.46 41.95 1de2 s ILE 34 CO 0.42 0.13 0.86 0.20 0.00 0.00 0.00 174.94 176.54 1de2 s ASN 35 N 2.28 7.24 -0.17 3.58 0.02 -1.26 -2.15 114.94 124.48 1de2 s ASN 35 Ca 0.01 1.49 0.18 0.00 -1.02 0.00 0.00 52.86 53.53 1de2 s ASN 35 Cb -0.12 -2.51 -0.26 0.00 0.02 0.00 0.00 41.25 38.38 1de2 s ASN 35 CO -0.07 -0.15 0.14 2.30 0.02 0.00 0.00 177.10 179.34 1de2 n ILE 36 N 3.58 1.12 -3.86 0.60 -5.35 -1.10 -4.78 119.36 109.56 1de2 n ILE 36 Ca 0.02 -0.78 -0.30 0.00 -0.27 0.00 0.00 62.75 61.42 1de2 n ILE 36 Cb 0.51 -0.38 -0.14 0.00 -1.74 0.00 0.00 39.64 37.89 1de2 n ILE 36 CO 0.00 0.00 0.00 -0.32 -1.76 0.00 0.00 176.55 174.47 1de2 s MET 37 N -2.67 1.63 0.00 6.28 0.00 -1.26 0.19 119.30 123.47 1de2 s MET 37 Ca -0.09 -2.27 0.21 0.00 0.00 0.00 0.00 55.69 53.54 1de2 s MET 37 Cb 0.07 -2.91 1.21 0.00 0.00 0.00 0.00 34.83 33.20 1de2 s MET 37 CO 0.83 -1.11 1.78 -0.35 0.00 0.00 0.00 175.02 176.18 1de2 n PRO 38 N 3.45 1.07 -3.96 4.11 -0.04 -1.26 -4.80 135.00 133.56 1de2 n PRO 38 Ca 0.06 -0.11 -0.10 0.00 -0.04 0.00 0.00 63.50 63.30 1de2 n PRO 38 Cb 0.34 -1.34 -0.12 0.00 -0.04 0.00 0.00 33.50 32.35 1de2 n PRO 38 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1de2 s GLU 39 N -1.98 0.25 0.00 0.54 8.01 -1.26 -5.02 118.70 119.24 1de2 s GLU 39 Ca 0.32 -0.44 0.17 0.00 0.01 0.00 0.00 54.97 55.03 1de2 s GLU 39 Cb 0.15 0.03 0.79 0.00 -4.31 0.00 0.00 34.13 30.79 1de2 s GLU 39 CO 0.25 -0.02 1.52 1.17 0.01 0.00 0.00 175.26 178.19 1de2 n LYS 40 N 2.04 0.13 -0.07 1.61 0.00 -1.26 -3.61 118.16 117.00 1de2 n LYS 40 Ca -0.20 0.17 -0.05 0.00 0.00 0.00 0.00 58.31 58.22 1de2 n LYS 40 Cb 0.56 -1.50 -0.02 0.00 0.00 0.00 0.00 35.03 34.08 1de2 n LYS 40 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1de2 n GLY 41 N 0.20 -0.86 3.15 3.14 0.00 -1.26 -5.04 105.19 104.52 1de2 n GLY 41 Ca 0.06 -0.18 -0.12 0.00 0.00 0.00 0.00 46.02 45.77 1de2 n GLY 41 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1de2 s VAL 42 N -2.28 0.03 1.11 1.61 1.01 -1.24 -5.16 120.40 115.48 1de2 s VAL 42 Ca -0.16 -0.24 -0.13 0.00 0.00 0.00 0.00 61.98 61.45 1de2 s VAL 42 Cb 0.02 -0.42 0.25 0.00 0.00 0.00 0.00 36.38 36.23 1de2 s VAL 42 CO 0.24 -0.13 1.05 0.72 0.00 0.00 0.00 175.10 176.98 1de2 s PHE 43 N -0.48 1.61 -0.33 5.22 -0.12 -1.26 -4.14 117.98 118.48 1de2 s PHE 43 Ca -0.06 1.11 -0.14 0.00 -0.05 0.00 0.00 56.93 57.80 1de2 s PHE 43 Cb -0.04 -3.16 -0.02 0.00 -0.63 0.00 0.00 43.02 39.17 1de2 s PHE 43 CO 0.01 -3.54 0.29 0.34 -0.05 0.00 0.00 175.22 172.27 1de2 s ASP 44 N -2.85 6.12 0.61 1.98 -1.08 0.13 -4.90 116.67 116.67 1de2 s ASP 44 Ca 0.67 -0.24 0.32 0.00 -0.52 0.00 0.00 52.55 52.79 1de2 s ASP 44 Cb -0.23 -2.16 1.84 0.00 -1.46 0.00 0.00 42.92 40.91 1de2 s ASP 44 CO 0.62 -0.25 2.18 -0.78 0.52 0.00 0.00 175.17 177.46 1de2 h ASP 45 N 8.44 0.00 -0.32 -0.34 1.82 -1.94 -2.36 116.42 121.71 1de2 h ASP 45 Ca -0.31 0.00 0.05 0.00 -0.39 0.00 0.00 57.03 56.38 1de2 h ASP 45 Cb 1.16 0.00 -0.05 0.00 0.68 0.00 0.00 39.33 41.12 1de2 h ASP 45 CO 0.65 0.00 0.02 1.05 -1.61 0.00 0.00 179.24 179.35 1de2 h GLU 46 N 0.00 0.12 0.03 0.28 4.11 -1.94 0.45 114.58 117.63 1de2 h GLU 46 Ca 0.04 -0.01 -0.25 0.00 0.07 0.00 0.00 59.36 59.22 1de2 h GLU 46 Cb 0.29 -0.03 0.01 0.00 0.50 0.00 0.00 28.75 29.52 1de2 h GLU 46 CO -0.00 0.08 -1.02 0.87 0.07 0.00 0.00 179.01 179.01 1de2 h LYS 47 N 0.12 0.48 -0.06 1.06 6.56 -1.75 -2.89 116.57 120.09 1de2 h LYS 47 Ca 0.15 -0.55 0.02 0.00 -1.06 0.00 0.00 60.65 59.21 1de2 h LYS 47 Cb 0.19 0.16 -0.02 0.00 -0.57 0.00 0.00 32.23 32.00 1de2 h LYS 47 CO -0.24 1.19 -0.04 0.82 -2.06 0.00 0.00 179.45 179.12 1de2 h ILE 48 N 0.25 0.87 -0.57 1.86 1.08 -1.10 0.46 117.51 120.36 1de2 h ILE 48 Ca -0.11 0.00 -0.00 0.00 -0.39 0.00 0.00 64.86 64.36 1de2 h ILE 48 Cb 1.68 0.87 -0.03 0.00 -3.07 0.00 0.00 36.82 36.26 1de2 h ILE 48 CO 0.18 0.00 0.36 0.00 -0.69 0.00 0.00 178.15 178.00 1de2 h ALA 49 N 1.00 0.72 -0.62 1.87 0.00 -0.18 -1.42 119.26 120.63 1de2 h ALA 49 Ca 0.04 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 1de2 h ALA 49 Cb 0.11 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 1de2 h ALA 49 CO -0.09 0.19 0.19 1.49 0.00 0.00 0.00 179.25 181.03 1de2 h GLU 50 N 0.77 0.94 0.41 0.00 4.81 -1.24 -2.59 114.58 117.68 1de2 h GLU 50 Ca 0.21 -0.18 -0.02 0.00 -0.13 0.00 0.00 59.36 59.23 1de2 h GLU 50 Cb -0.04 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.20 1de2 h GLU 50 CO -0.04 0.81 -0.20 1.25 -0.73 0.00 0.00 179.01 180.10 1de2 h LEU 51 N 0.91 -0.46 -0.86 1.64 5.85 0.56 -0.78 115.31 122.17 1de2 h LEU 51 Ca 0.20 -0.02 0.17 0.00 0.84 0.00 0.00 57.88 59.08 1de2 h LEU 51 Cb 0.27 0.12 -0.10 0.00 0.37 0.00 0.00 40.66 41.31 1de2 h LEU 51 CO -0.01 -0.29 0.42 -0.07 -0.34 0.00 0.00 178.44 178.15 1de2 h LEU 52 N -0.60 0.45 -1.04 2.25 3.38 -1.16 0.34 115.31 118.93 1de2 h LEU 52 Ca -0.06 0.11 -0.07 0.00 0.09 0.00 0.00 57.88 57.96 1de2 h LEU 52 Cb 0.45 0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.24 1de2 h LEU 52 CO 0.09 0.14 -0.10 0.74 0.09 0.00 0.00 178.44 179.40 1de2 h THR 53 N 0.54 1.23 -0.72 0.22 2.02 -1.20 -2.54 112.91 112.46 1de2 h THR 53 Ca 0.49 -1.02 -0.07 0.00 0.77 0.00 0.00 66.41 66.59 1de2 h THR 53 Cb 0.80 1.09 -0.03 0.00 -1.74 0.00 0.00 68.15 68.26 1de2 h THR 53 CO -0.42 0.34 0.19 0.50 0.37 0.00 0.00 175.52 176.49 1de2 h LYS 54 N 0.53 1.15 -0.49 6.66 3.64 0.11 -2.83 116.57 125.35 1de2 h LYS 54 Ca 0.10 -0.27 0.01 0.00 -1.27 0.00 0.00 60.65 59.22 1de2 h LYS 54 Cb 0.49 -0.15 -0.03 0.00 -0.41 0.00 0.00 32.23 32.13 1de2 h LYS 54 CO 0.03 1.00 0.31 -0.07 -2.27 0.00 0.00 179.45 178.45 1de2 h LEU 55 N 1.09 0.52 0.00 5.20 3.38 -0.73 -3.41 115.31 121.36 1de2 h LEU 55 Ca 0.23 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.19 1de2 h LEU 55 Cb 0.36 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.99 1de2 h LEU 55 CO 0.00 0.37 0.00 0.61 0.09 0.00 0.00 178.44 179.51 1de2 n GLY 56 N -1.23 -0.83 1.62 0.83 0.00 -1.05 -4.86 105.19 99.66 1de2 n GLY 56 Ca 0.03 0.36 -0.02 0.00 0.00 0.00 0.00 46.02 46.39 1de2 n GLY 56 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1de2 n ARG 57 N 0.00 0.39 0.00 1.61 1.85 -1.26 -4.56 116.66 114.68 1de2 n ARG 57 Ca 0.00 -1.68 0.00 0.00 -1.00 0.00 0.00 57.85 55.17 1de2 n ARG 57 Cb 0.00 0.06 0.00 0.00 -1.05 0.00 0.00 32.46 31.47 1de2 n ARG 57 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 1de2 n ASP 58 N -0.10 0.00 -4.63 2.89 9.92 -1.26 -5.16 116.55 118.22 1de2 n ASP 58 Ca -0.10 0.00 -0.28 0.00 -0.53 0.00 0.00 54.79 53.87 1de2 n ASP 58 Cb 0.90 0.00 -0.11 0.00 -0.64 0.00 0.00 41.12 41.27 1de2 n ASP 58 CO 0.00 0.00 0.00 0.28 0.13 0.00 0.00 177.20 177.61 1de2 s THR 59 N 2.59 1.96 -0.56 -3.53 -1.32 -1.26 -5.00 115.64 108.53 1de2 s THR 59 Ca 0.00 -2.00 -0.13 0.00 -1.21 0.00 0.00 61.69 58.35 1de2 s THR 59 Cb 0.00 -2.96 0.14 0.00 -1.51 0.00 0.00 72.50 68.17 1de2 s THR 59 CO 0.00 0.00 0.48 0.00 -2.21 0.00 0.00 174.62 172.89 1de2 s GLN 60 N -3.72 2.88 -1.11 7.08 1.03 -1.26 -5.01 119.66 119.56 1de2 s GLN 60 Ca 0.34 -1.86 -0.21 0.00 0.04 0.00 0.00 55.36 53.67 1de2 s GLN 60 Cb 0.10 -4.17 0.07 0.00 0.03 0.00 0.00 33.01 29.03 1de2 s GLN 60 CO 0.17 -1.27 1.51 0.96 -2.54 0.00 0.00 175.29 174.12 1de2 s ILE 61 N 1.28 4.08 -0.99 3.63 -4.36 -1.26 -3.92 121.20 119.66 1de2 s ILE 61 Ca 0.06 -1.25 0.00 0.00 -0.26 0.00 0.00 60.65 59.20 1de2 s ILE 61 Cb -0.26 -5.08 0.00 0.00 1.25 0.00 0.00 42.46 38.37 1de2 s ILE 61 CO 0.00 -1.92 0.00 0.61 0.24 0.00 0.00 174.94 173.87 1de2 n GLY 62 N 6.22 0.00 3.36 6.27 0.00 -1.26 -4.96 105.19 114.83 1de2 n GLY 62 Ca 0.37 -0.42 -0.37 0.00 0.00 0.00 0.00 46.02 45.60 1de2 n GLY 62 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1de2 n LEU 63 N -1.61 -1.01 -4.35 0.99 0.00 -1.25 -5.01 117.00 104.76 1de2 n LEU 63 Ca -0.13 0.60 -0.18 0.00 0.00 0.00 0.00 56.01 56.30 1de2 n LEU 63 Cb 0.58 -1.07 -0.10 0.00 0.00 0.00 0.00 43.42 42.84 1de2 n LEU 63 CO 0.16 -3.82 -0.33 0.42 0.00 0.00 0.00 177.39 173.82 1de2 s THR 64 N -1.90 1.11 0.16 1.96 -4.23 -1.26 -5.16 115.64 106.32 1de2 s THR 64 Ca 0.62 -2.04 0.08 0.00 -1.18 0.00 0.00 61.69 59.17 1de2 s THR 64 Cb -0.39 -2.41 -0.04 0.00 1.34 0.00 0.00 72.50 71.00 1de2 s THR 64 CO 0.62 -0.28 -0.18 -0.04 -0.54 0.00 0.00 174.62 174.19 1de2 s MET 65 N -3.85 1.25 0.24 3.99 1.00 -1.26 -4.13 119.30 116.53 1de2 s MET 65 Ca 0.30 -1.39 -0.23 0.00 0.00 0.00 0.00 55.69 54.37 1de2 s MET 65 Cb 0.06 -1.30 -0.09 0.00 0.00 0.00 0.00 34.83 33.50 1de2 s MET 65 CO 0.10 0.27 0.79 -1.25 0.00 0.00 0.00 175.02 174.93 1de2 s PRO 66 N -2.75 4.41 -0.20 2.03 0.05 -1.26 -4.98 135.00 132.30 1de2 s PRO 66 Ca 0.15 1.05 -0.08 0.00 0.05 0.00 0.00 61.00 62.17 1de2 s PRO 66 Cb -0.06 -2.95 -0.04 0.00 0.05 0.00 0.00 34.50 31.51 1de2 s PRO 66 CO 0.06 0.41 0.08 -0.65 0.05 0.00 0.00 177.00 176.95 1de2 s GLN 67 N -1.81 3.97 0.25 4.56 -1.52 0.80 -4.44 119.66 121.46 1de2 s GLN 67 Ca 0.43 -0.34 0.05 0.00 -1.95 0.00 0.00 55.36 53.56 1de2 s GLN 67 Cb -0.19 -3.28 -0.03 0.00 -0.22 0.00 0.00 33.01 29.29 1de2 s GLN 67 CO 0.23 0.20 0.34 0.08 -0.25 0.00 0.00 175.29 175.89 1de2 s VAL 68 N 0.59 5.01 0.07 1.09 1.01 0.81 0.15 120.40 129.13 1de2 s VAL 68 Ca 0.04 -1.06 -0.05 0.00 0.00 0.00 0.00 61.98 60.91 1de2 s VAL 68 Cb -0.13 -3.74 -0.02 0.00 0.00 0.00 0.00 36.38 32.49 1de2 s VAL 68 CO 0.01 -0.32 0.09 -0.36 0.00 0.00 0.00 175.10 174.52 1de2 s PHE 69 N -2.02 0.31 0.41 5.22 0.08 0.52 -2.79 117.98 119.71 1de2 s PHE 69 Ca 0.35 -0.77 -0.25 0.00 0.12 0.00 0.00 56.93 56.38 1de2 s PHE 69 Cb -0.09 -0.20 -0.08 0.00 -0.57 0.00 0.00 43.02 42.08 1de2 s PHE 69 CO 0.29 -0.45 1.17 0.00 -0.10 0.00 0.00 175.22 176.13 1de2 s ALA 70 N -3.71 3.11 0.46 5.36 0.00 0.14 -0.48 121.76 126.64 1de2 s ALA 70 Ca 0.04 0.97 0.40 0.00 0.00 0.00 0.00 51.96 53.37 1de2 s ALA 70 Cb 0.05 -3.38 1.49 0.00 0.00 0.00 0.00 23.12 21.27 1de2 s ALA 70 CO -0.10 -0.57 1.40 -2.30 0.00 0.00 0.00 175.76 174.19 1de2 n PRO 71 N -0.06 -0.01 -1.53 0.00 -0.01 -1.25 -2.88 135.00 129.25 1de2 n PRO 71 Ca 0.05 1.02 -0.02 0.00 -0.01 0.00 0.00 63.50 64.54 1de2 n PRO 71 Cb 0.47 -2.23 0.02 0.00 -0.01 0.00 0.00 33.50 31.75 1de2 n PRO 71 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 175.50 175.24 1de2 n ASP 72 N -3.97 -0.59 0.00 2.55 9.92 -1.26 -4.13 116.55 119.07 1de2 n ASP 72 Ca 0.39 -1.31 0.00 0.00 -0.53 0.00 0.00 54.79 53.34 1de2 n ASP 72 Cb 1.68 0.25 0.00 0.00 -0.64 0.00 0.00 41.12 42.41 1de2 n ASP 72 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1de2 n GLY 73 N -0.44 1.76 1.43 0.44 0.00 -1.14 -5.18 105.19 102.06 1de2 n GLY 73 Ca -0.10 -0.09 -0.11 0.00 0.00 0.00 0.00 46.02 45.71 1de2 n GLY 73 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1de2 n SER 74 N 0.00 1.52 -4.75 1.61 7.64 -1.26 -4.80 113.62 113.58 1de2 n SER 74 Ca 0.00 -1.91 -0.41 0.00 1.01 0.00 0.00 58.87 57.56 1de2 n SER 74 Cb 0.00 0.34 -0.03 0.00 -1.01 0.00 0.00 64.21 63.51 1de2 n SER 74 CO 0.00 0.00 0.00 -2.28 -3.01 0.00 0.00 175.04 169.75 1de2 s HIS 75 N -2.05 3.32 -0.11 1.43 2.46 -1.26 0.24 115.29 119.32 1de2 s HIS 75 Ca 0.06 1.43 0.08 0.00 0.47 0.00 0.00 55.06 57.10 1de2 s HIS 75 Cb 0.00 -3.51 -0.12 0.00 -0.13 0.00 0.00 32.58 28.82 1de2 s HIS 75 CO 0.04 -1.41 0.02 -0.89 -2.47 0.00 0.00 174.74 170.03 1de2 n ILE 76 N 1.78 0.73 0.00 0.89 -0.00 -1.12 -4.84 119.36 116.80 1de2 n ILE 76 Ca 0.02 -0.42 0.00 0.00 -0.00 0.00 0.00 62.75 62.35 1de2 n ILE 76 Cb 0.43 -0.76 0.00 0.00 -0.00 0.00 0.00 39.64 39.32 1de2 n ILE 76 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 1de2 n GLY 77 N 2.42 0.28 0.00 7.39 0.00 -1.19 -4.09 105.19 110.00 1de2 n GLY 77 Ca -0.18 -2.19 0.00 0.00 0.00 0.00 0.00 46.02 43.65 1de2 n GLY 77 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1de2 n GLY 78 N 0.00 0.65 0.00 -0.02 0.00 -1.26 -0.14 105.19 104.42 1de2 n GLY 78 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1de2 n GLY 78 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1de2 n PHE 79 N 0.00 0.00 -0.16 1.61 -0.00 -1.26 -2.24 117.46 115.40 1de2 n PHE 79 Ca 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 57.45 57.43 1de2 n PHE 79 Cb 0.00 -0.48 0.07 0.00 -0.00 0.00 0.00 39.48 39.07 1de2 n PHE 79 CO 0.00 0.00 0.00 0.22 -0.00 0.00 0.00 176.76 176.98 1de2 h ASP 80 N 0.00 -0.12 -0.56 -2.13 1.82 -1.98 1.18 116.42 114.64 1de2 h ASP 80 Ca 0.00 0.11 0.04 0.00 -0.39 0.00 0.00 57.03 56.79 1de2 h ASP 80 Cb 0.00 0.18 -0.04 0.00 0.68 0.00 0.00 39.33 40.14 1de2 h ASP 80 CO 0.00 -0.03 0.31 1.56 -1.61 0.00 0.00 179.24 179.47 1de2 h GLN 81 N 0.17 0.58 -0.03 0.28 1.08 -1.87 -2.23 115.11 113.09 1de2 h GLN 81 Ca 0.26 -0.04 -0.17 0.00 -1.45 0.00 0.00 58.65 57.25 1de2 h GLN 81 Cb 0.38 -0.13 -0.01 0.00 -0.05 0.00 0.00 27.48 27.67 1de2 h GLN 81 CO -0.39 0.39 -0.76 1.25 -0.95 0.00 0.00 178.83 178.37 1de2 h LEU 82 N 0.60 0.25 -1.69 1.46 6.46 -0.74 -3.01 115.31 118.64 1de2 h LEU 82 Ca 0.24 -0.17 0.20 0.00 -0.12 0.00 0.00 57.88 58.02 1de2 h LEU 82 Cb 0.10 -0.07 -0.05 0.00 -0.73 0.00 0.00 40.66 39.91 1de2 h LEU 82 CO -0.14 0.91 0.56 -0.09 -0.62 0.00 0.00 178.44 179.06 1de2 h ARG 83 N 0.13 0.26 -0.25 1.25 2.43 0.20 1.35 114.38 119.74 1de2 h ARG 83 Ca -0.03 -0.02 -0.06 0.00 -0.81 0.00 0.00 59.98 59.07 1de2 h ARG 83 Cb 1.33 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 30.81 1de2 h ARG 83 CO 0.12 0.17 -0.11 1.49 -1.51 0.00 0.00 179.97 180.12 1de2 h GLU 84 N 0.27 0.41 -0.30 0.20 4.81 -1.35 1.25 114.58 119.87 1de2 h GLU 84 Ca 0.41 -0.11 -0.06 0.00 -0.13 0.00 0.00 59.36 59.48 1de2 h GLU 84 Cb 1.20 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 30.52 1de2 h GLU 84 CO -0.11 0.53 -0.07 -0.92 -0.73 0.00 0.00 179.01 177.72 1de2 h TYR 85 N 0.39 0.51 0.00 0.92 5.03 0.17 -3.35 116.97 120.64 1de2 h TYR 85 Ca 0.08 -0.06 0.00 0.00 2.58 0.00 0.00 58.73 61.32 1de2 h TYR 85 Cb 0.44 -0.14 0.00 0.00 1.55 0.00 0.00 36.73 38.57 1de2 h TYR 85 CO 0.01 0.55 0.00 1.19 -1.32 0.00 0.00 178.16 178.59 1de2 n PHE 86 N -4.24 0.00 1.11 -3.82 3.72 -0.56 -5.14 117.46 108.53 1de2 n PHE 86 Ca 0.01 0.00 0.12 0.00 -0.05 0.00 0.00 57.45 57.53 1de2 n PHE 86 Cb 0.28 -0.21 0.20 0.00 -0.94 0.00 0.00 39.48 38.81 1de2 n PHE 86 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34