#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 -0.07 -4.03 1.12 3.01 -0.81 -4.22 117.46 112.46 1de2 n PHE 2 Ca 0.00 0.46 -0.34 0.00 1.01 0.00 0.00 57.45 58.58 1de2 n PHE 2 Cb 0.00 -2.03 -0.15 0.00 -0.01 0.00 0.00 39.48 37.29 1de2 n PHE 2 CO 0.00 0.00 0.00 0.15 1.01 0.00 0.00 176.76 177.92 1de2 s LYS 3 N -2.25 2.89 -0.16 -1.08 3.01 -0.22 -1.12 119.74 120.81 1de2 s LYS 3 Ca 0.70 -0.92 -0.03 0.00 -1.01 0.00 0.00 55.97 54.71 1de2 s LYS 3 Cb -0.46 -2.82 -0.02 0.00 -1.01 0.00 0.00 37.83 33.53 1de2 s LYS 3 CO 0.52 -0.32 -0.06 0.08 0.51 0.00 0.00 175.35 176.08 1de2 s VAL 4 N 1.30 3.62 -0.38 3.17 1.01 -1.02 0.11 120.40 128.21 1de2 s VAL 4 Ca 0.02 -0.45 -0.07 0.00 0.00 0.00 0.00 61.98 61.47 1de2 s VAL 4 Cb -0.15 -2.58 0.07 0.00 0.00 0.00 0.00 36.38 33.71 1de2 s VAL 4 CO -0.08 0.49 0.19 -0.31 0.00 0.00 0.00 175.10 175.39 1de2 s TYR 5 N 0.52 3.33 0.00 5.22 2.02 0.43 -1.24 117.35 127.62 1de2 s TYR 5 Ca -0.05 -1.60 0.00 0.00 -0.37 0.00 0.00 57.07 55.06 1de2 s TYR 5 Cb -0.15 -2.70 0.00 0.00 -0.40 0.00 0.00 41.96 38.71 1de2 s TYR 5 CO 0.03 -0.81 0.00 0.41 -1.57 0.00 0.00 175.55 173.61 1de2 n GLY 6 N 4.83 1.90 3.17 0.71 0.00 -1.11 0.98 105.19 115.68 1de2 n GLY 6 Ca -0.10 0.05 -0.28 0.00 0.00 0.00 0.00 46.02 45.69 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 0.86 1.98 -0.64 1.61 2.02 -1.26 -2.59 117.35 119.33 1de2 s TYR 7 Ca 0.00 -0.63 -0.01 0.00 -0.37 0.00 0.00 57.07 56.06 1de2 s TYR 7 Cb 0.00 -1.33 0.47 0.00 -0.40 0.00 0.00 41.96 40.70 1de2 s TYR 7 CO 0.00 -0.22 2.01 -3.47 -1.57 0.00 0.00 175.55 172.30 1de2 n ASP 8 N 3.21 7.33 -0.65 2.29 2.03 -1.26 -4.74 116.55 124.75 1de2 n ASP 8 Ca -0.18 -3.77 -0.08 0.00 0.52 0.00 0.00 54.79 51.27 1de2 n ASP 8 Cb 0.53 -0.96 -0.04 0.00 -0.72 0.00 0.00 41.12 39.93 1de2 n ASP 8 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 1de2 n SER 9 N -0.94 -5.79 -0.08 1.67 2.88 -1.17 -4.82 113.62 105.37 1de2 n SER 9 Ca 0.62 0.21 -0.13 0.00 -1.33 0.00 0.00 58.87 58.24 1de2 n SER 9 Cb 0.75 -4.03 -0.08 0.00 -0.75 0.00 0.00 64.21 60.10 1de2 n SER 9 CO 0.00 0.00 0.00 -1.13 -1.23 0.00 0.00 175.04 172.68 1de2 h ASN 10 N 0.00 0.00 0.00 -3.46 -0.73 -1.99 -3.42 115.58 105.98 1de2 h ASN 10 Ca -0.17 -0.48 0.00 0.00 1.87 0.00 0.00 56.30 57.52 1de2 h ASN 10 Cb 1.14 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.73 1de2 h ASN 10 CO 0.25 1.08 -0.98 -0.38 -0.37 0.00 0.00 177.43 177.03 1de2 n ILE 11 N -4.56 0.00 -3.54 2.57 5.41 -1.26 -5.04 119.36 112.93 1de2 n ILE 11 Ca -0.17 -0.25 -0.17 0.00 1.00 0.00 0.00 62.75 63.16 1de2 n ILE 11 Cb 0.45 0.62 -0.06 0.00 -0.71 0.00 0.00 39.64 39.94 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 -2.31 -0.66 0.71 1.39 5.04 -1.26 -4.88 115.29 113.31 1de2 s HIS 12 Ca -0.00 1.21 -0.11 0.00 -1.54 0.00 0.00 55.06 54.62 1de2 s HIS 12 Cb 0.07 0.39 0.02 0.00 0.04 0.00 0.00 32.58 33.10 1de2 s HIS 12 CO 0.40 -0.55 1.07 0.21 -2.34 0.00 0.00 174.74 173.53 1de2 s LYS 13 N -0.94 2.75 -0.30 2.88 2.20 -1.26 -3.02 119.74 122.06 1de2 s LYS 13 Ca -0.09 1.06 -0.13 0.00 -0.36 0.00 0.00 55.97 56.46 1de2 s LYS 13 Cb -0.01 -1.96 0.16 0.00 -1.51 0.00 0.00 37.83 34.50 1de2 s LYS 13 CO 0.08 -1.25 0.87 0.00 -0.36 0.00 0.00 175.35 174.69 1de2 n VAL 15 N 5.16 1.63 0.24 0.00 0.24 -1.26 -4.07 118.33 120.27 1de2 n VAL 15 Ca -0.09 -0.78 0.08 0.00 -2.04 0.00 0.00 64.34 61.50 1de2 n VAL 15 Cb 0.51 -1.11 0.60 0.00 -1.47 0.00 0.00 33.84 32.37 1de2 n VAL 15 CO 0.00 0.00 0.00 1.88 -2.14 0.00 0.00 176.83 176.57 1de2 h TYR 16 N 0.01 0.00 -0.32 6.34 0.05 -1.96 -2.69 116.97 118.39 1de2 h TYR 16 Ca -0.31 0.00 0.01 0.00 0.05 0.00 0.00 58.73 58.49 1de2 h TYR 16 Cb 2.02 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 39.74 1de2 h TYR 16 CO 0.01 0.12 0.19 0.00 -1.05 0.00 0.00 178.16 177.43 1de2 h ASP 18 N 0.39 0.44 -0.03 0.00 1.82 -1.69 0.16 116.42 117.51 1de2 h ASP 18 Ca 0.12 -0.06 -0.09 0.00 -0.39 0.00 0.00 57.03 56.62 1de2 h ASP 18 Cb -0.01 -0.11 0.01 0.00 0.68 0.00 0.00 39.33 39.90 1de2 h ASP 18 CO -0.06 0.45 -0.32 0.78 -1.61 0.00 0.00 179.24 178.49 1de2 h ASN 19 N 0.47 0.33 -0.56 2.28 2.35 -1.32 -2.06 115.58 117.08 1de2 h ASN 19 Ca 0.11 -0.71 -0.10 0.00 -0.55 0.00 0.00 56.30 55.05 1de2 h ASN 19 Cb 0.19 -0.10 -0.02 0.00 0.05 0.00 0.00 38.32 38.44 1de2 h ASN 19 CO -0.00 0.99 -0.05 0.00 -1.65 0.00 0.00 177.43 176.72 1de2 h ALA 20 N 0.34 0.75 0.63 -0.83 0.00 -0.55 -0.30 119.26 119.31 1de2 h ALA 20 Ca -0.03 -0.33 -0.03 0.00 0.00 0.00 0.00 54.91 54.52 1de2 h ALA 20 Cb 1.01 -0.20 0.01 0.00 0.00 0.00 0.00 17.79 18.61 1de2 h ALA 20 CO 0.06 0.62 -0.30 -0.22 0.00 0.00 0.00 179.25 179.41 1de2 h LYS 21 N 0.90 -0.82 -1.00 0.00 3.11 -0.75 0.24 116.57 118.24 1de2 h LYS 21 Ca 0.15 0.06 0.05 0.00 -2.81 0.00 0.00 60.65 58.10 1de2 h LYS 21 Cb 0.61 0.19 -0.06 0.00 -1.00 0.00 0.00 32.23 31.96 1de2 h LYS 21 CO 0.04 -0.50 0.65 0.07 -2.81 0.00 0.00 179.45 176.89 1de2 h ARG 22 N -1.02 1.18 0.43 1.90 -0.00 -1.40 -0.07 114.38 115.40 1de2 h ARG 22 Ca -0.09 -0.07 -0.02 0.00 -0.00 0.00 0.00 59.98 59.81 1de2 h ARG 22 Cb 0.69 -0.27 -0.00 0.00 -0.00 0.00 0.00 29.97 30.40 1de2 h ARG 22 CO 0.14 0.78 -0.24 1.25 -0.00 0.00 0.00 179.97 181.90 1de2 h LEU 23 N 1.22 -0.60 -0.53 0.08 6.46 -0.95 -0.86 115.31 120.14 1de2 h LEU 23 Ca 0.41 0.03 0.06 0.00 -0.12 0.00 0.00 57.88 58.27 1de2 h LEU 23 Cb 0.08 0.17 -0.05 0.00 -0.73 0.00 0.00 40.66 40.13 1de2 h LEU 23 CO -0.15 -0.40 0.23 -0.07 -0.62 0.00 0.00 178.44 177.44 1de2 h LEU 24 N -0.63 0.29 -1.21 2.25 3.38 -0.49 0.92 115.31 119.81 1de2 h LEU 24 Ca -0.05 0.05 0.10 0.00 0.09 0.00 0.00 57.88 58.06 1de2 h LEU 24 Cb 0.51 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.20 1de2 h LEU 24 CO 0.06 0.19 0.57 0.74 0.09 0.00 0.00 178.44 180.10 1de2 h THR 25 N 0.44 0.97 0.00 0.22 2.02 -0.78 0.13 112.91 115.90 1de2 h THR 25 Ca 0.25 -0.30 -0.20 0.00 0.77 0.00 0.00 66.41 66.93 1de2 h THR 25 Cb 0.22 0.01 -0.03 0.00 -1.74 0.00 0.00 68.15 66.61 1de2 h THR 25 CO -0.21 0.16 -0.94 0.58 0.37 0.00 0.00 175.52 175.48 1de2 h VAL 26 N 0.88 1.65 0.00 3.16 2.07 0.37 -3.15 116.25 121.23 1de2 h VAL 26 Ca 0.41 -3.24 0.00 0.00 0.82 0.00 0.00 66.70 64.69 1de2 h VAL 26 Cb 0.41 2.76 0.00 0.00 -1.52 0.00 0.00 31.29 32.94 1de2 h VAL 26 CO -0.18 0.92 0.00 1.17 0.02 0.00 0.00 177.57 179.50 1de2 n LYS 27 N -3.38 0.18 -2.93 1.57 3.00 0.30 -4.92 118.16 111.98 1de2 n LYS 27 Ca 0.00 0.27 -0.11 0.00 -0.00 0.00 0.00 58.31 58.47 1de2 n LYS 27 Cb 0.90 -1.77 0.05 0.00 0.00 0.00 0.00 35.03 34.21 1de2 n LYS 27 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 1de2 n LYS 28 N -2.10 -4.08 -4.76 1.64 4.76 0.24 -5.04 118.16 108.82 1de2 n LYS 28 Ca 0.04 0.48 -0.24 0.00 -2.87 0.00 0.00 58.31 55.72 1de2 n LYS 28 Cb 0.32 -4.43 -0.15 0.00 -1.84 0.00 0.00 35.03 28.93 1de2 n LYS 28 CO 0.00 0.00 0.00 -0.65 -1.37 0.00 0.00 177.40 175.38 1de2 s GLN 29 N -5.14 1.35 0.21 1.97 1.11 -1.04 -5.07 119.66 113.05 1de2 s GLN 29 Ca 0.12 -0.66 -0.27 0.00 0.01 0.00 0.00 55.36 54.56 1de2 s GLN 29 Cb -0.05 -1.33 -0.09 0.00 -1.01 0.00 0.00 33.01 30.53 1de2 s GLN 29 CO 0.42 0.36 0.86 -1.25 0.01 0.00 0.00 175.29 175.69 1de2 s PRO 30 N -0.55 4.69 0.27 2.91 0.04 -1.26 -4.60 135.00 136.50 1de2 s PRO 30 Ca 0.06 1.31 -0.19 0.00 0.04 0.00 0.00 61.00 62.22 1de2 s PRO 30 Cb -0.07 -3.23 0.01 0.00 0.04 0.00 0.00 34.50 31.25 1de2 s PRO 30 CO -0.00 0.53 0.66 -0.59 0.04 0.00 0.00 177.00 177.63 1de2 s PHE 31 N -1.20 -0.06 -0.11 0.56 -0.12 -1.26 -1.91 117.98 113.88 1de2 s PHE 31 Ca 0.39 -0.37 -0.10 0.00 -0.05 0.00 0.00 56.93 56.80 1de2 s PHE 31 Cb -0.24 0.58 0.03 0.00 -0.63 0.00 0.00 43.02 42.75 1de2 s PHE 31 CO 0.29 -1.17 0.28 -1.21 -0.05 0.00 0.00 175.22 173.36 1de2 s GLU 32 N -3.94 0.33 0.47 1.99 0.41 -0.28 -4.82 118.70 112.86 1de2 s GLU 32 Ca 0.14 0.40 -0.03 0.00 -0.41 0.00 0.00 54.97 55.06 1de2 s GLU 32 Cb -0.05 0.15 -0.02 0.00 -1.78 0.00 0.00 34.13 32.43 1de2 s GLU 32 CO 0.07 -0.04 0.74 0.12 -0.49 0.00 0.00 175.26 175.66 1de2 s PHE 33 N 0.19 3.45 -0.16 1.61 5.36 -1.26 -2.42 117.98 124.74 1de2 s PHE 33 Ca -0.00 0.61 -0.06 0.00 -0.96 0.00 0.00 56.93 56.51 1de2 s PHE 33 Cb -0.02 -2.29 0.07 0.00 -0.34 0.00 0.00 43.02 40.44 1de2 s PHE 33 CO 0.00 -0.30 0.35 0.42 -1.46 0.00 0.00 175.22 174.23 1de2 s ILE 34 N -2.67 -0.44 -0.45 3.12 1.01 -0.37 -4.85 121.20 116.53 1de2 s ILE 34 Ca 0.47 0.20 -0.29 0.00 0.00 0.00 0.00 60.65 61.03 1de2 s ILE 34 Cb -0.10 -0.56 0.03 0.00 0.01 0.00 0.00 42.46 41.83 1de2 s ILE 34 CO 0.42 0.08 1.17 0.54 0.00 0.00 0.00 174.94 177.15 1de2 s ASN 35 N 2.29 6.62 0.00 3.58 4.22 -1.26 -2.75 114.94 127.65 1de2 s ASN 35 Ca -0.02 0.57 0.29 0.00 -2.14 0.00 0.00 52.86 51.56 1de2 s ASN 35 Cb -0.11 -2.55 1.26 0.00 1.28 0.00 0.00 41.25 41.13 1de2 s ASN 35 CO -0.11 -1.25 1.87 2.30 -2.04 0.00 0.00 177.10 177.87 1de2 n ILE 36 N 6.79 0.00 -4.04 0.54 -5.35 -1.07 -4.68 119.36 111.56 1de2 n ILE 36 Ca 0.13 -0.12 -0.32 0.00 -0.27 0.00 0.00 62.75 62.17 1de2 n ILE 36 Cb 0.49 0.07 -0.15 0.00 -1.74 0.00 0.00 39.64 38.31 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 -2.23 2.06 0.20 6.28 1.75 -1.26 0.14 119.30 126.24 1de2 s MET 37 Ca 0.35 -1.49 0.10 0.00 -1.25 0.00 0.00 55.69 53.41 1de2 s MET 37 Cb 0.21 -3.01 -0.03 0.00 2.84 0.00 0.00 34.83 34.84 1de2 s MET 37 CO 0.41 -0.68 1.38 -1.00 -0.65 0.00 0.00 175.02 174.49 1de2 h PRO 38 N 7.75 0.00 -4.06 4.11 0.13 -1.84 -3.47 132.00 134.63 1de2 h PRO 38 Ca -0.15 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.82 1de2 h PRO 38 Cb 1.04 0.00 -0.19 0.00 0.13 0.00 0.00 31.00 31.97 1de2 h PRO 38 CO 0.49 0.78 -0.69 -2.00 -0.23 0.00 0.00 178.00 176.34 1de2 s GLU 39 N -2.92 0.40 0.00 0.86 2.12 -1.24 -5.02 118.70 112.90 1de2 s GLU 39 Ca 0.02 -0.78 0.08 0.00 0.36 0.00 0.00 54.97 54.65 1de2 s GLU 39 Cb 0.10 0.13 0.38 0.00 0.26 0.00 0.00 34.13 34.99 1de2 s GLU 39 CO 0.78 -0.07 1.22 0.36 -0.54 0.00 0.00 175.26 177.02 1de2 n LYS 40 N 1.19 0.04 -0.07 4.30 2.85 -1.26 -2.84 118.16 122.37 1de2 n LYS 40 Ca -0.21 0.30 -0.09 0.00 -1.05 0.00 0.00 58.31 57.26 1de2 n LYS 40 Cb 0.57 -1.50 -0.08 0.00 -0.65 0.00 0.00 35.03 33.37 1de2 n LYS 40 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 177.40 178.13 1de2 h GLY 41 N 1.40 0.00 -3.87 2.58 0.00 -1.99 -3.49 103.07 97.70 1de2 h GLY 41 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 47.23 1de2 h GLY 41 CO 0.00 0.00 -0.30 0.14 0.00 0.00 0.00 176.54 176.38 1de2 s VAL 42 N -2.00 0.09 0.87 4.60 1.01 -1.13 -5.17 120.40 118.67 1de2 s VAL 42 Ca -0.13 -0.76 -0.12 0.00 0.00 0.00 0.00 61.98 60.97 1de2 s VAL 42 Cb -0.01 -0.92 0.11 0.00 0.00 0.00 0.00 36.38 35.56 1de2 s VAL 42 CO 0.42 -0.42 1.16 -0.36 0.00 0.00 0.00 175.10 175.90 1de2 s PHE 43 N -2.54 2.66 -0.36 5.22 0.08 -1.26 -3.63 117.98 118.14 1de2 s PHE 43 Ca -0.05 0.78 -0.22 0.00 0.12 0.00 0.00 56.93 57.56 1de2 s PHE 43 Cb -0.01 -3.47 0.01 0.00 -0.57 0.00 0.00 43.02 38.98 1de2 s PHE 43 CO -0.03 -2.12 0.72 -0.51 -0.10 0.00 0.00 175.22 173.17 1de2 s ASP 44 N -4.32 6.49 0.35 1.36 1.01 0.38 -4.80 116.67 117.15 1de2 s ASP 44 Ca 0.63 0.25 0.25 0.00 0.71 0.00 0.00 52.55 54.40 1de2 s ASP 44 Cb -0.13 -2.36 1.26 0.00 1.01 0.00 0.00 42.92 42.70 1de2 s ASP 44 CO 0.51 -0.67 1.77 0.44 0.21 0.00 0.00 175.17 177.43 1de2 h ASP 45 N 8.48 0.00 0.53 0.27 3.32 -1.95 -2.77 116.42 124.29 1de2 h ASP 45 Ca -0.25 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 56.77 1de2 h ASP 45 Cb 1.10 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.66 1de2 h ASP 45 CO 0.88 0.00 -0.25 -0.33 -1.72 0.00 0.00 179.24 177.81 1de2 h GLU 46 N 0.00 -0.68 -0.21 3.56 5.08 -1.95 1.07 114.58 121.45 1de2 h GLU 46 Ca 0.00 0.05 -0.14 0.00 -1.00 0.00 0.00 59.36 58.27 1de2 h GLU 46 Cb 0.14 0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.54 1de2 h GLU 46 CO 0.00 -0.40 -0.45 0.87 -1.00 0.00 0.00 179.01 178.02 1de2 h LYS 47 N -0.85 0.54 -0.10 2.33 1.79 -1.89 -2.93 116.57 115.47 1de2 h LYS 47 Ca -0.07 -0.30 -0.13 0.00 -2.18 0.00 0.00 60.65 57.97 1de2 h LYS 47 Cb 0.60 0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 31.25 1de2 h LYS 47 CO 0.12 0.89 -0.50 0.82 -1.08 0.00 0.00 179.45 179.70 1de2 h ILE 48 N 0.44 1.34 0.72 1.86 2.04 -1.43 -2.18 117.51 120.29 1de2 h ILE 48 Ca 0.03 -1.74 -0.04 0.00 1.00 0.00 0.00 64.86 64.11 1de2 h ILE 48 Cb 0.97 1.82 0.01 0.00 -0.74 0.00 0.00 36.82 38.87 1de2 h ILE 48 CO 0.09 0.52 -0.34 0.00 0.00 0.00 0.00 178.15 178.41 1de2 h ALA 49 N 1.26 -0.96 0.00 1.87 0.00 0.14 -2.02 119.26 119.55 1de2 h ALA 49 Ca 0.01 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.68 1de2 h ALA 49 Cb 0.96 0.37 -0.00 0.00 0.00 0.00 0.00 17.79 19.12 1de2 h ALA 49 CO 0.08 -1.01 -0.09 1.05 0.00 0.00 0.00 179.25 179.28 1de2 h GLU 50 N -1.02 0.00 0.62 0.00 4.11 -1.57 -2.76 114.58 113.97 1de2 h GLU 50 Ca -0.10 0.00 -0.03 0.00 0.07 0.00 0.00 59.36 59.30 1de2 h GLU 50 Cb 0.75 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.01 1de2 h GLU 50 CO 0.16 0.09 -0.30 1.25 0.07 0.00 0.00 179.01 180.29 1de2 h LEU 51 N 0.00 -0.70 -0.67 3.06 6.46 -0.89 -0.79 115.31 121.77 1de2 h LEU 51 Ca -0.00 0.02 0.11 0.00 -0.12 0.00 0.00 57.88 57.89 1de2 h LEU 51 Cb 0.23 0.18 -0.08 0.00 -0.73 0.00 0.00 40.66 40.26 1de2 h LEU 51 CO 0.01 -0.49 0.26 -0.07 -0.62 0.00 0.00 178.44 177.53 1de2 h LEU 52 N -0.85 0.25 -0.24 2.25 3.38 -1.09 0.20 115.31 119.21 1de2 h LEU 52 Ca -0.08 0.09 0.04 0.00 0.09 0.00 0.00 57.88 58.01 1de2 h LEU 52 Cb 0.64 0.07 -0.03 0.00 0.09 0.00 0.00 40.66 41.43 1de2 h LEU 52 CO 0.14 0.13 0.03 0.74 0.09 0.00 0.00 178.44 179.57 1de2 h THR 53 N 0.43 0.86 -0.60 0.22 2.02 -1.35 -1.44 112.91 113.05 1de2 h THR 53 Ca 0.35 -0.04 -0.01 0.00 0.77 0.00 0.00 66.41 67.48 1de2 h THR 53 Cb 0.47 0.74 -0.03 0.00 -1.74 0.00 0.00 68.15 67.59 1de2 h THR 53 CO -0.34 0.02 0.35 0.11 0.37 0.00 0.00 175.52 176.03 1de2 h LYS 54 N 0.11 0.82 0.00 6.66 1.57 -0.10 -0.66 116.57 124.97 1de2 h LYS 54 Ca 0.11 -0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 58.81 1de2 h LYS 54 Cb 0.12 -0.17 -0.00 0.00 0.08 0.00 0.00 32.23 32.26 1de2 h LYS 54 CO -0.16 0.58 -0.06 -0.07 -0.57 0.00 0.00 179.45 179.17 1de2 h LEU 55 N 0.83 0.00 0.00 2.94 3.38 0.05 -3.41 115.31 119.10 1de2 h LEU 55 Ca 0.22 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.19 1de2 h LEU 55 Cb -0.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.73 1de2 h LEU 55 CO -0.04 0.06 0.00 0.61 0.09 0.00 0.00 178.44 179.16 1de2 n GLY 56 N -0.92 0.66 2.10 0.83 0.00 -0.26 -3.91 105.19 103.69 1de2 n GLY 56 Ca -0.02 -1.11 -0.22 0.00 0.00 0.00 0.00 46.02 44.67 1de2 n GLY 56 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1de2 n ARG 57 N 6.02 2.15 -4.03 1.61 1.74 -1.26 -4.71 116.66 118.18 1de2 n ARG 57 Ca 0.00 -2.67 -0.31 0.00 -0.77 0.00 0.00 57.85 54.09 1de2 n ARG 57 Cb 0.00 -2.05 -0.15 0.00 -1.02 0.00 0.00 32.46 29.24 1de2 n ARG 57 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1de2 s ASP 58 N -1.06 4.29 0.49 0.55 1.11 -1.25 -5.12 116.67 115.68 1de2 s ASP 58 Ca 0.51 -1.38 -0.19 0.00 0.18 0.00 0.00 52.55 51.68 1de2 s ASP 58 Cb 0.42 -1.44 -0.09 0.00 1.07 0.00 0.00 42.92 42.89 1de2 s ASP 58 CO 0.08 -0.21 0.99 0.28 1.18 0.00 0.00 175.17 177.49 1de2 s THR 59 N 1.18 4.26 -0.68 -1.27 -1.32 -1.26 -4.83 115.64 111.71 1de2 s THR 59 Ca -0.07 1.25 -0.26 0.00 -1.21 0.00 0.00 61.69 61.40 1de2 s THR 59 Cb -0.20 -3.59 -0.03 0.00 -1.51 0.00 0.00 72.50 67.18 1de2 s THR 59 CO -0.06 -0.45 1.88 0.00 -2.21 0.00 0.00 174.62 173.78 1de2 s GLN 60 N -3.60 2.61 -1.26 7.08 -2.07 -1.26 -4.89 119.66 116.27 1de2 s GLN 60 Ca 0.62 0.39 -0.18 0.00 -1.82 0.00 0.00 55.36 54.36 1de2 s GLN 60 Cb -0.11 -4.55 0.07 0.00 -1.09 0.00 0.00 33.01 27.33 1de2 s GLN 60 CO 0.23 -2.88 1.68 0.42 -1.32 0.00 0.00 175.29 173.43 1de2 s ILE 61 N 9.28 4.14 -1.73 3.63 1.01 -1.26 -4.10 121.20 132.18 1de2 s ILE 61 Ca 0.68 -1.81 0.00 0.00 0.00 0.00 0.00 60.65 59.52 1de2 s ILE 61 Cb -0.11 -5.17 0.00 0.00 0.01 0.00 0.00 42.46 37.19 1de2 s ILE 61 CO 0.15 -2.00 0.00 0.61 0.00 0.00 0.00 174.94 173.71 1de2 n GLY 62 N 5.52 0.74 3.27 6.18 0.00 -1.26 -4.96 105.19 114.67 1de2 n GLY 62 Ca 0.46 -0.15 -0.28 0.00 0.00 0.00 0.00 46.02 46.05 1de2 n GLY 62 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1de2 n LEU 63 N -2.30 -1.70 -4.33 0.99 7.99 -1.26 -5.05 117.00 111.34 1de2 n LEU 63 Ca -0.20 -0.34 -0.17 0.00 -0.01 0.00 0.00 56.01 55.29 1de2 n LEU 63 Cb 0.62 -1.01 -0.10 0.00 -0.11 0.00 0.00 43.42 42.83 1de2 n LEU 63 CO 0.26 -3.48 -0.27 0.42 -1.51 0.00 0.00 177.39 172.81 1de2 s THR 64 N -2.22 0.71 0.18 -5.08 -4.23 -1.26 -5.15 115.64 98.60 1de2 s THR 64 Ca 0.58 -2.00 0.08 0.00 -1.18 0.00 0.00 61.69 59.17 1de2 s THR 64 Cb -0.15 -2.59 -0.04 0.00 1.34 0.00 0.00 72.50 71.07 1de2 s THR 64 CO 0.59 -0.08 -0.01 -0.04 -0.54 0.00 0.00 174.62 174.54 1de2 s MET 65 N -3.98 2.36 0.22 3.99 1.00 -1.26 -4.10 119.30 117.53 1de2 s MET 65 Ca 0.35 -1.15 -0.22 0.00 0.00 0.00 0.00 55.69 54.67 1de2 s MET 65 Cb 0.08 -2.32 -0.08 0.00 0.00 0.00 0.00 34.83 32.50 1de2 s MET 65 CO 0.13 0.44 0.77 -2.14 0.00 0.00 0.00 175.02 174.22 1de2 s PRO 66 N -3.00 4.40 -0.17 2.03 0.02 -1.26 -4.98 135.00 132.05 1de2 s PRO 66 Ca 0.27 1.03 -0.12 0.00 0.02 0.00 0.00 61.00 62.20 1de2 s PRO 66 Cb -0.09 -2.99 -0.05 0.00 0.02 0.00 0.00 34.50 31.39 1de2 s PRO 66 CO 0.18 0.44 0.24 -0.65 -0.33 0.00 0.00 177.00 176.88 1de2 s GLN 67 N -1.72 4.21 0.25 5.54 -0.21 0.28 -4.21 119.66 123.80 1de2 s GLN 67 Ca 0.42 -0.00 0.05 0.00 0.02 0.00 0.00 55.36 55.84 1de2 s GLN 67 Cb -0.19 -3.41 -0.03 0.00 1.00 0.00 0.00 33.01 30.38 1de2 s GLN 67 CO 0.23 0.28 0.38 0.08 -2.12 0.00 0.00 175.29 174.14 1de2 s VAL 68 N 0.37 5.13 -0.02 1.09 1.01 0.33 0.16 120.40 128.47 1de2 s VAL 68 Ca 0.14 -0.97 -0.02 0.00 0.00 0.00 0.00 61.98 61.13 1de2 s VAL 68 Cb -0.12 -3.81 0.01 0.00 0.00 0.00 0.00 36.38 32.46 1de2 s VAL 68 CO 0.02 -0.32 0.06 -0.36 0.00 0.00 0.00 175.10 174.50 1de2 s PHE 69 N -2.01 -0.06 0.21 5.22 0.40 0.31 -2.84 117.98 119.21 1de2 s PHE 69 Ca 0.35 0.18 -0.30 0.00 -0.60 0.00 0.00 56.93 56.56 1de2 s PHE 69 Cb -0.09 -0.02 -0.16 0.00 0.51 0.00 0.00 43.02 43.26 1de2 s PHE 69 CO 0.30 -0.05 0.83 0.00 0.70 0.00 0.00 175.22 176.99 1de2 n ALA 70 N 3.27 -1.67 -0.09 5.36 0.00 0.26 -1.06 120.51 126.58 1de2 n ALA 70 Ca -0.15 0.44 0.26 0.00 0.00 0.00 0.00 53.44 53.98 1de2 n ALA 70 Cb 0.58 -1.83 0.61 0.00 0.00 0.00 0.00 19.45 18.81 1de2 n ALA 70 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1de2 h PRO 71 N 1.84 0.00 0.00 0.00 0.11 -1.89 -3.07 132.00 128.99 1de2 h PRO 71 Ca -0.36 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 65.66 1de2 h PRO 71 Cb 1.39 0.00 -0.08 0.00 0.11 0.00 0.00 31.00 32.42 1de2 h PRO 71 CO 0.61 0.00 -0.15 -0.25 -0.21 0.00 0.00 178.00 178.00 1de2 n ASP 72 N -3.51 -0.79 0.00 -2.05 8.00 -1.26 -3.29 116.55 113.65 1de2 n ASP 72 Ca 0.17 -1.62 0.00 0.00 0.71 0.00 0.00 54.79 54.04 1de2 n ASP 72 Cb 1.11 0.36 0.00 0.00 -0.02 0.00 0.00 41.12 42.57 1de2 n ASP 72 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1de2 n GLY 73 N -0.79 3.26 0.92 0.44 0.00 -1.16 -5.17 105.19 102.69 1de2 n GLY 73 Ca -0.10 -0.42 -0.07 0.00 0.00 0.00 0.00 46.02 45.42 1de2 n GLY 73 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1de2 n SER 74 N 0.00 1.46 -4.77 1.61 2.88 -1.26 -4.77 113.62 108.77 1de2 n SER 74 Ca 0.00 -1.59 -0.38 0.00 -1.33 0.00 0.00 58.87 55.58 1de2 n SER 74 Cb 0.00 0.22 0.00 0.00 -0.75 0.00 0.00 64.21 63.68 1de2 n SER 74 CO 0.00 0.00 0.00 -2.28 -1.23 0.00 0.00 175.04 171.53 1de2 s HIS 75 N -1.80 2.74 0.00 0.66 2.46 -1.26 0.90 115.29 119.00 1de2 s HIS 75 Ca 0.04 1.49 0.00 0.00 0.47 0.00 0.00 55.06 57.05 1de2 s HIS 75 Cb 0.00 -3.51 0.00 0.00 -0.13 0.00 0.00 32.58 28.94 1de2 s HIS 75 CO 0.03 -1.88 0.00 -0.89 -2.47 0.00 0.00 174.74 169.52 1de2 n ILE 76 N -0.51 0.00 0.00 0.89 -0.00 -1.13 -4.78 119.36 113.83 1de2 n ILE 76 Ca 0.07 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.82 1de2 n ILE 76 Cb 0.47 -0.60 0.00 0.00 -0.00 0.00 0.00 39.64 39.51 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 2.96 0.63 0.00 7.39 0.00 -1.22 -4.36 105.19 110.59 1de2 n GLY 77 Ca 0.00 -2.04 0.00 0.00 0.00 0.00 0.00 46.02 43.98 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 1.37 0.00 -0.02 0.00 -1.26 0.12 105.19 105.41 1de2 n GLY 78 Ca 0.00 -1.31 0.00 0.00 0.00 0.00 0.00 46.02 44.71 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 -0.05 1.61 7.35 -1.26 -1.91 117.46 123.19 1de2 n PHE 79 Ca 0.00 0.00 -0.08 0.00 -0.76 0.00 0.00 57.45 56.61 1de2 n PHE 79 Cb 0.00 -0.47 -0.02 0.00 0.35 0.00 0.00 39.48 39.34 1de2 n PHE 79 CO 0.00 0.00 0.00 0.22 -0.76 0.00 0.00 176.76 176.22 1de2 h ASP 80 N 0.00 -0.08 -0.90 -2.13 1.82 -1.98 0.85 116.42 114.00 1de2 h ASP 80 Ca 0.00 0.05 0.17 0.00 -0.39 0.00 0.00 57.03 56.87 1de2 h ASP 80 Cb 0.00 0.09 -0.07 0.00 0.68 0.00 0.00 39.33 40.03 1de2 h ASP 80 CO 0.00 -0.01 0.58 -0.61 -1.61 0.00 0.00 179.24 177.59 1de2 h GLN 81 N 0.08 0.54 0.00 0.28 5.75 -1.90 0.65 115.11 120.51 1de2 h GLN 81 Ca 0.11 -0.03 -0.24 0.00 -0.15 0.00 0.00 58.65 58.34 1de2 h GLN 81 Cb 0.14 -0.12 -0.04 0.00 1.07 0.00 0.00 27.48 28.53 1de2 h GLN 81 CO -0.19 0.36 -1.28 1.25 -2.65 0.00 0.00 178.83 176.32 1de2 h LEU 82 N 0.56 0.00 -1.90 -2.39 6.46 -0.49 -3.27 115.31 114.29 1de2 h LEU 82 Ca 0.47 0.00 0.23 0.00 -0.12 0.00 0.00 57.88 58.46 1de2 h LEU 82 Cb 0.94 0.00 -0.04 0.00 -0.73 0.00 0.00 40.66 40.83 1de2 h LEU 82 CO -0.21 0.98 0.60 0.03 -0.62 0.00 0.00 178.44 179.22 1de2 h ARG 83 N 0.00 0.08 -0.28 1.25 3.08 0.31 1.44 114.38 120.25 1de2 h ARG 83 Ca -0.12 -0.00 -0.08 0.00 0.07 0.00 0.00 59.98 59.85 1de2 h ARG 83 Cb 1.85 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 31.87 1de2 h ARG 83 CO 0.11 0.05 -0.15 1.49 -1.07 0.00 0.00 179.97 180.40 1de2 h GLU 84 N 0.08 0.49 -0.20 0.04 4.81 -1.54 0.88 114.58 119.14 1de2 h GLU 84 Ca 0.41 -0.15 -0.06 0.00 -0.13 0.00 0.00 59.36 59.43 1de2 h GLU 84 Cb 1.51 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.83 1de2 h GLU 84 CO -0.04 0.63 -0.15 -0.92 -0.73 0.00 0.00 179.01 177.79 1de2 h TYR 85 N 0.45 0.36 0.00 0.92 5.03 0.18 -2.66 116.97 121.25 1de2 h TYR 85 Ca 0.08 -0.05 -0.17 0.00 2.58 0.00 0.00 58.73 61.17 1de2 h TYR 85 Cb 0.53 -0.10 -0.03 0.00 1.55 0.00 0.00 36.73 38.68 1de2 h TYR 85 CO 0.02 0.49 -1.27 0.74 -1.32 0.00 0.00 178.16 176.81 1de2 h PHE 86 N 0.32 0.00 0.00 -3.82 0.04 -0.59 -3.52 116.94 109.37 1de2 h PHE 86 Ca 0.06 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.83 1de2 h PHE 86 Cb 0.46 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.61 1de2 h PHE 86 CO 0.01 0.63 0.00 1.63 -0.60 0.00 0.00 178.31 179.98