#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1de1 n PHE 2 N 0.00 0.92 -3.97 1.12 3.01 -0.69 -4.08 117.46 113.78 1de1 n PHE 2 Ca 0.00 0.39 -0.28 0.00 1.01 0.00 0.00 57.45 58.58 1de1 n PHE 2 Cb 0.00 -2.08 -0.17 0.00 -0.01 0.00 0.00 39.48 37.22 1de1 n PHE 2 CO 0.00 0.00 0.00 0.15 1.01 0.00 0.00 176.76 177.92 1de1 s LYS 3 N -3.83 1.73 -0.01 -1.08 3.01 -0.75 0.18 119.74 119.00 1de1 s LYS 3 Ca 0.72 -0.34 0.06 0.00 -1.01 0.00 0.00 55.97 55.40 1de1 s LYS 3 Cb -0.30 -1.71 -0.03 0.00 -1.01 0.00 0.00 37.83 34.77 1de1 s LYS 3 CO 0.52 -0.25 -0.18 0.08 0.51 0.00 0.00 175.35 176.03 1de1 s VAL 4 N 1.61 2.76 -0.34 3.17 1.01 -0.53 0.12 120.40 128.19 1de1 s VAL 4 Ca 0.04 -0.99 0.03 0.00 0.00 0.00 0.00 61.98 61.06 1de1 s VAL 4 Cb -0.13 -2.10 0.10 0.00 0.00 0.00 0.00 36.38 34.26 1de1 s VAL 4 CO -0.08 0.48 0.06 -0.31 0.00 0.00 0.00 175.10 175.25 1de1 s TYR 5 N -0.79 3.48 0.00 5.22 1.51 0.45 0.11 117.35 127.32 1de1 s TYR 5 Ca 0.13 -2.83 0.00 0.00 -1.01 0.00 0.00 57.07 53.35 1de1 s TYR 5 Cb -0.10 -2.76 0.00 0.00 -0.11 0.00 0.00 41.96 38.99 1de1 s TYR 5 CO 0.02 -0.94 0.00 0.41 -1.11 0.00 0.00 175.55 173.93 1de1 n GLY 6 N 4.32 3.66 3.28 0.71 0.00 0.63 0.31 105.19 118.10 1de1 n GLY 6 Ca 0.03 -0.14 -0.27 0.00 0.00 0.00 0.00 46.02 45.64 1de1 n GLY 6 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1de1 s TYR 7 N 0.29 1.99 -0.33 1.61 2.02 -1.26 -1.22 117.35 120.45 1de1 s TYR 7 Ca 0.00 -0.39 0.08 0.00 -0.37 0.00 0.00 57.07 56.39 1de1 s TYR 7 Cb 0.00 -1.20 0.57 0.00 -0.40 0.00 0.00 41.96 40.93 1de1 s TYR 7 CO 0.00 0.09 1.61 -3.47 -1.57 0.00 0.00 175.55 172.21 1de1 n ASP 8 N 1.90 3.03 -0.62 2.29 -0.08 -1.26 -4.83 116.55 116.98 1de1 n ASP 8 Ca -0.17 -3.66 -0.08 0.00 -1.51 0.00 0.00 54.79 49.37 1de1 n ASP 8 Cb 0.53 -0.70 -0.03 0.00 2.34 0.00 0.00 41.12 43.26 1de1 n ASP 8 CO 0.00 0.00 0.00 -1.20 0.12 0.00 0.00 177.20 176.12 1de1 n SER 9 N -1.05 -5.36 -0.07 1.67 7.64 -0.99 -4.85 113.62 110.61 1de1 n SER 9 Ca 0.41 0.20 -0.07 0.00 1.01 0.00 0.00 58.87 60.41 1de1 n SER 9 Cb 1.23 -3.58 -0.04 0.00 -1.01 0.00 0.00 64.21 60.81 1de1 n SER 9 CO 0.00 0.00 0.00 0.78 -3.01 0.00 0.00 175.04 172.81 1de1 h ASN 10 N 0.00 0.00 0.00 6.43 4.21 -1.95 -3.42 115.58 120.85 1de1 h ASN 10 Ca -0.17 -0.21 -0.21 0.00 1.21 0.00 0.00 56.30 56.92 1de1 h ASN 10 Cb 0.99 0.00 -0.04 0.00 -1.12 0.00 0.00 38.32 38.15 1de1 h ASN 10 CO 0.24 0.84 -2.02 -0.38 -1.29 0.00 0.00 177.43 174.83 1de1 n ILE 11 N -4.63 0.80 -3.97 2.81 2.08 -1.26 -5.01 119.36 110.18 1de1 n ILE 11 Ca -0.10 -0.60 -0.09 0.00 0.56 0.00 0.00 62.75 62.52 1de1 n ILE 11 Cb 0.29 -0.39 -0.10 0.00 -0.75 0.00 0.00 39.64 38.69 1de1 n ILE 11 CO 0.00 0.00 0.00 -2.28 0.56 0.00 0.00 176.55 174.83 1de1 s HIS 12 N -2.61 0.25 0.97 1.39 2.46 -1.26 -4.70 115.29 111.78 1de1 s HIS 12 Ca -0.07 -0.53 -0.14 0.00 0.47 0.00 0.00 55.06 54.79 1de1 s HIS 12 Cb 0.07 -0.18 0.17 0.00 -0.13 0.00 0.00 32.58 32.50 1de1 s HIS 12 CO 0.68 -0.26 1.14 0.21 -2.47 0.00 0.00 174.74 174.04 1de1 s LYS 13 N -1.96 0.64 -0.30 2.88 2.20 -1.26 -2.34 119.74 119.60 1de1 s LYS 13 Ca -0.11 0.22 -0.17 0.00 -0.36 0.00 0.00 55.97 55.55 1de1 s LYS 13 Cb -0.06 -1.79 0.17 0.00 -1.51 0.00 0.00 37.83 34.65 1de1 s LYS 13 CO -0.02 -2.52 1.21 0.00 -0.36 0.00 0.00 175.35 173.65 1de1 h VAL 15 N 4.89 1.14 0.00 0.00 -1.51 -1.98 -3.30 116.25 115.49 1de1 h VAL 15 Ca -0.10 -2.88 0.00 0.00 -1.23 0.00 0.00 66.70 62.49 1de1 h VAL 15 Cb 1.18 2.65 0.00 0.00 -2.13 0.00 0.00 31.29 32.99 1de1 h VAL 15 CO -0.22 0.75 0.00 1.88 -1.23 0.00 0.00 177.57 178.75 1de1 h TYR 16 N 0.03 0.00 0.24 5.19 0.05 -1.97 -3.21 116.97 117.29 1de1 h TYR 16 Ca -0.22 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.55 1de1 h TYR 16 Cb 1.96 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.70 1de1 h TYR 16 CO 0.03 0.00 -0.11 0.00 -1.05 0.00 0.00 178.16 177.02 1de1 h ASP 18 N -0.93 0.00 0.04 0.00 1.82 -1.70 -0.80 116.42 114.85 1de1 h ASP 18 Ca -0.03 0.00 -0.00 0.00 -0.39 0.00 0.00 57.03 56.61 1de1 h ASP 18 Cb 0.49 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.50 1de1 h ASP 18 CO 0.05 0.00 -0.02 0.78 -1.61 0.00 0.00 179.24 178.44 1de1 h ASN 19 N 0.00 -0.05 -0.23 2.28 2.35 -1.59 -2.40 115.58 115.94 1de1 h ASN 19 Ca 0.30 -0.64 0.03 0.00 -0.55 0.00 0.00 56.30 55.44 1de1 h ASN 19 Cb 1.35 0.01 -0.03 0.00 0.05 0.00 0.00 38.32 39.71 1de1 h ASN 19 CO -0.00 0.67 0.07 0.00 -1.65 0.00 0.00 177.43 176.52 1de1 h ALA 20 N -0.01 0.25 0.55 -0.83 0.00 -0.82 0.25 119.26 118.65 1de1 h ALA 20 Ca -0.01 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 1de1 h ALA 20 Cb 0.68 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.50 1de1 h ALA 20 CO 0.01 -0.35 -0.27 -0.22 0.00 0.00 0.00 179.25 178.42 1de1 h LYS 21 N 0.17 -0.71 -0.62 0.00 3.64 -1.32 0.23 116.57 117.96 1de1 h LYS 21 Ca 0.10 0.05 0.08 0.00 -1.27 0.00 0.00 60.65 59.61 1de1 h LYS 21 Cb 0.08 0.16 -0.06 0.00 -0.41 0.00 0.00 32.23 32.00 1de1 h LYS 21 CO -0.12 -0.48 0.30 -0.09 -2.27 0.00 0.00 179.45 176.80 1de1 h ARG 22 N -0.74 0.52 0.01 1.90 1.12 -1.30 0.30 114.38 116.19 1de1 h ARG 22 Ca -0.07 -0.03 0.01 0.00 -1.11 0.00 0.00 59.98 58.77 1de1 h ARG 22 Cb 0.57 -0.12 -0.01 0.00 -0.01 0.00 0.00 29.97 30.40 1de1 h ARG 22 CO 0.12 0.34 -0.04 1.25 -3.11 0.00 0.00 179.97 178.53 1de1 h LEU 23 N 0.54 -0.11 -0.62 3.80 6.46 -0.27 -1.25 115.31 123.85 1de1 h LEU 23 Ca 0.30 0.02 0.00 0.00 -0.12 0.00 0.00 57.88 58.08 1de1 h LEU 23 Cb 0.28 0.05 -0.03 0.00 -0.73 0.00 0.00 40.66 40.23 1de1 h LEU 23 CO -0.24 -0.06 0.39 -0.07 -0.62 0.00 0.00 178.44 177.84 1de1 h LEU 24 N -0.08 0.74 -1.00 2.25 3.38 0.22 1.07 115.31 121.89 1de1 h LEU 24 Ca 0.01 -0.04 0.07 0.00 0.09 0.00 0.00 57.88 58.01 1de1 h LEU 24 Cb 0.09 -0.19 -0.07 0.00 0.09 0.00 0.00 40.66 40.59 1de1 h LEU 24 CO -0.04 0.56 0.64 0.74 0.09 0.00 0.00 178.44 180.44 1de1 h THR 25 N 0.85 1.08 0.00 0.22 2.02 -0.14 -0.24 112.91 116.70 1de1 h THR 25 Ca 0.23 -0.40 -0.15 0.00 0.77 0.00 0.00 66.41 66.86 1de1 h THR 25 Cb -0.05 -0.18 -0.02 0.00 -1.74 0.00 0.00 68.15 66.15 1de1 h THR 25 CO -0.05 0.21 -0.73 0.58 0.37 0.00 0.00 175.52 175.91 1de1 h VAL 26 N 1.16 1.23 0.00 3.16 2.07 -0.50 -3.16 116.25 120.21 1de1 h VAL 26 Ca 0.43 -2.74 0.00 0.00 0.82 0.00 0.00 66.70 65.22 1de1 h VAL 26 Cb 0.18 2.60 0.00 0.00 -1.52 0.00 0.00 31.29 32.55 1de1 h VAL 26 CO -0.18 0.70 0.00 1.17 0.02 0.00 0.00 177.57 179.28 1de1 n LYS 27 N -3.28 0.15 -2.83 1.57 3.00 0.36 -4.93 118.16 112.22 1de1 n LYS 27 Ca 0.01 0.30 -0.11 0.00 -0.00 0.00 0.00 58.31 58.51 1de1 n LYS 27 Cb 0.83 -1.75 0.05 0.00 0.00 0.00 0.00 35.03 34.16 1de1 n LYS 27 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 1de1 n LYS 28 N -2.03 -3.07 -4.02 1.64 4.76 -0.26 -5.03 118.16 110.14 1de1 n LYS 28 Ca 0.04 0.58 -0.16 0.00 -2.87 0.00 0.00 58.31 55.89 1de1 n LYS 28 Cb 0.28 -4.61 -0.15 0.00 -1.84 0.00 0.00 35.03 28.71 1de1 n LYS 28 CO 0.00 0.00 0.00 -0.65 -1.37 0.00 0.00 177.40 175.38 1de1 s GLN 29 N -4.45 0.36 0.11 1.97 1.11 -1.14 -5.08 119.66 112.53 1de1 s GLN 29 Ca 0.15 -0.04 -0.30 0.00 0.01 0.00 0.00 55.36 55.18 1de1 s GLN 29 Cb -0.02 -0.43 -0.06 0.00 -1.01 0.00 0.00 33.01 31.49 1de1 s GLN 29 CO 0.49 -0.03 1.01 -1.25 0.01 0.00 0.00 175.29 175.53 1de1 s PRO 30 N 0.50 4.64 0.23 2.91 0.04 -1.26 -4.69 135.00 137.37 1de1 s PRO 30 Ca -0.05 1.53 -0.10 0.00 0.04 0.00 0.00 61.00 62.42 1de1 s PRO 30 Cb -0.08 -3.36 -0.01 0.00 0.04 0.00 0.00 34.50 31.08 1de1 s PRO 30 CO -0.01 0.12 0.38 -0.59 0.04 0.00 0.00 177.00 176.94 1de1 s PHE 31 N 0.12 0.59 -0.02 0.56 -0.71 -1.26 -1.70 117.98 115.56 1de1 s PHE 31 Ca 0.49 -0.91 0.01 0.00 -1.04 0.00 0.00 56.93 55.48 1de1 s PHE 31 Cb -0.25 -0.02 0.02 0.00 -1.21 0.00 0.00 43.02 41.56 1de1 s PHE 31 CO 0.31 -0.90 -0.02 -1.21 -1.34 0.00 0.00 175.22 172.06 1de1 s GLU 32 N -4.06 0.40 0.50 1.99 2.02 0.13 -4.83 118.70 114.85 1de1 s GLU 32 Ca 0.27 -0.03 -0.03 0.00 0.02 0.00 0.00 54.97 55.20 1de1 s GLU 32 Cb 0.01 -0.49 -0.01 0.00 0.10 0.00 0.00 34.13 33.75 1de1 s GLU 32 CO 0.10 -0.05 0.77 0.12 0.02 0.00 0.00 175.26 176.22 1de1 s PHE 33 N 0.62 3.35 -0.12 1.61 5.36 -1.26 -1.46 117.98 126.08 1de1 s PHE 33 Ca -0.07 0.53 -0.04 0.00 -0.96 0.00 0.00 56.93 56.39 1de1 s PHE 33 Cb -0.10 -2.42 0.06 0.00 -0.34 0.00 0.00 43.02 40.23 1de1 s PHE 33 CO -0.01 -0.45 0.23 0.42 -1.46 0.00 0.00 175.22 173.95 1de1 s ILE 34 N -2.73 -0.36 -0.18 3.12 1.01 0.29 -4.79 121.20 117.56 1de1 s ILE 34 Ca 0.49 0.29 -0.27 0.00 0.00 0.00 0.00 60.65 61.16 1de1 s ILE 34 Cb -0.10 -0.40 -0.01 0.00 0.01 0.00 0.00 42.46 41.96 1de1 s ILE 34 CO 0.42 0.12 0.93 0.20 0.00 0.00 0.00 174.94 176.60 1de1 s ASN 35 N 2.38 7.05 0.08 3.58 0.01 -1.26 -0.27 114.94 126.51 1de1 s ASN 35 Ca 0.02 1.30 0.23 0.00 -0.71 0.00 0.00 52.86 53.70 1de1 s ASN 35 Cb -0.12 -2.50 0.01 0.00 0.41 0.00 0.00 41.25 39.05 1de1 s ASN 35 CO -0.08 -0.49 0.98 2.30 -1.51 0.00 0.00 177.10 178.30 1de1 n ILE 36 N 4.90 0.28 -3.81 0.60 -5.35 -0.36 -4.65 119.36 110.97 1de1 n ILE 36 Ca 0.08 -0.36 -0.29 0.00 -0.27 0.00 0.00 62.75 61.91 1de1 n ILE 36 Cb 0.48 0.02 -0.13 0.00 -1.74 0.00 0.00 39.64 38.27 1de1 n ILE 36 CO 0.00 0.00 0.00 -0.32 -1.76 0.00 0.00 176.55 174.47 1de1 s MET 37 N -3.28 1.83 0.00 6.28 0.00 -1.26 0.13 119.30 123.01 1de1 s MET 37 Ca 0.01 -2.64 0.29 0.00 0.00 0.00 0.00 55.69 53.35 1de1 s MET 37 Cb 0.13 -2.88 1.45 0.00 0.00 0.00 0.00 34.83 33.53 1de1 s MET 37 CO 0.81 -1.21 2.00 -0.35 0.00 0.00 0.00 175.02 176.26 1de1 n PRO 38 N 2.82 0.40 -3.85 4.11 -0.04 -1.26 -4.44 135.00 132.73 1de1 n PRO 38 Ca 0.14 0.01 -0.14 0.00 -0.04 0.00 0.00 63.50 63.47 1de1 n PRO 38 Cb 0.35 -1.50 -0.15 0.00 -0.04 0.00 0.00 33.50 32.16 1de1 n PRO 38 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1de1 s GLU 39 N -2.58 0.03 0.00 0.54 2.02 -1.26 -4.98 118.70 112.47 1de1 s GLU 39 Ca 0.27 0.07 0.02 0.00 0.02 0.00 0.00 54.97 55.35 1de1 s GLU 39 Cb 0.19 -0.15 0.09 0.00 0.10 0.00 0.00 34.13 34.36 1de1 s GLU 39 CO 0.44 -0.07 0.99 1.17 0.02 0.00 0.00 175.26 177.81 1de1 n LYS 40 N 3.59 0.01 0.00 1.61 4.81 -1.26 -2.74 118.16 124.17 1de1 n LYS 40 Ca -0.19 0.39 -0.01 0.00 -0.87 0.00 0.00 58.31 57.63 1de1 n LYS 40 Cb 0.55 -1.50 -0.01 0.00 0.02 0.00 0.00 35.03 34.10 1de1 n LYS 40 CO 0.00 0.00 0.00 0.78 1.17 0.00 0.00 177.40 179.35 1de1 h GLY 41 N 0.34 -0.08 -3.24 3.14 0.00 -1.95 -3.49 103.07 97.78 1de1 h GLY 41 Ca 0.00 0.03 -0.07 0.00 0.00 0.00 0.00 47.33 47.29 1de1 h GLY 41 CO 0.00 -0.03 -0.21 0.14 0.00 0.00 0.00 176.54 176.45 1de1 s VAL 42 N -1.65 0.10 0.85 4.60 1.01 -1.11 -5.16 120.40 119.04 1de1 s VAL 42 Ca -0.01 -0.80 -0.11 0.00 0.00 0.00 0.00 61.98 61.06 1de1 s VAL 42 Cb 0.00 -1.19 0.11 0.00 0.00 0.00 0.00 36.38 35.30 1de1 s VAL 42 CO 0.03 -0.44 1.14 -0.36 0.00 0.00 0.00 175.10 175.47 1de1 s PHE 43 N -3.59 1.95 -0.12 5.22 0.08 -1.26 -4.15 117.98 116.12 1de1 s PHE 43 Ca 0.02 1.70 -0.27 0.00 0.12 0.00 0.00 56.93 58.50 1de1 s PHE 43 Cb 0.02 -3.27 -0.02 0.00 -0.57 0.00 0.00 43.02 39.19 1de1 s PHE 43 CO -0.10 -2.48 0.91 0.34 -0.10 0.00 0.00 175.22 173.79 1de1 s ASP 44 N -2.81 7.13 0.49 1.36 2.15 0.35 -4.92 116.67 120.42 1de1 s ASP 44 Ca 0.66 1.38 0.27 0.00 0.43 0.00 0.00 52.55 55.29 1de1 s ASP 44 Cb -0.22 -2.51 1.24 0.00 -0.30 0.00 0.00 42.92 41.14 1de1 s ASP 44 CO 0.56 -0.38 1.96 -2.24 -0.17 0.00 0.00 175.17 174.90 1de1 h ASP 45 N 7.12 0.00 0.56 -0.34 3.04 -1.93 -2.35 116.42 122.52 1de1 h ASP 45 Ca -0.32 0.00 -0.03 0.00 -3.24 0.00 0.00 57.03 53.44 1de1 h ASP 45 Cb 1.15 0.00 0.01 0.00 -1.04 0.00 0.00 39.33 39.45 1de1 h ASP 45 CO 0.83 0.16 -0.27 -0.08 -2.04 0.00 0.00 179.24 177.84 1de1 h GLU 46 N 0.00 -0.72 -0.51 4.15 4.81 -1.96 0.07 114.58 120.41 1de1 h GLU 46 Ca -0.00 0.05 -0.12 0.00 -0.13 0.00 0.00 59.36 59.16 1de1 h GLU 46 Cb 0.52 0.16 -0.02 0.00 0.63 0.00 0.00 28.75 30.05 1de1 h GLU 46 CO 0.02 -0.48 -0.15 0.87 -0.73 0.00 0.00 179.01 178.54 1de1 h LYS 47 N -0.75 1.00 -0.55 1.92 6.56 -1.89 -2.57 116.57 120.28 1de1 h LYS 47 Ca -0.08 -0.39 0.08 0.00 -1.06 0.00 0.00 60.65 59.21 1de1 h LYS 47 Cb 0.58 -0.05 -0.07 0.00 -0.57 0.00 0.00 32.23 32.11 1de1 h LYS 47 CO 0.13 1.06 0.18 0.82 -2.06 0.00 0.00 179.45 179.58 1de1 h ILE 48 N 0.88 0.77 0.03 1.86 2.04 -1.27 0.38 117.51 122.19 1de1 h ILE 48 Ca 0.13 -0.12 -0.00 0.00 1.00 0.00 0.00 64.86 65.87 1de1 h ILE 48 Cb 0.71 0.39 0.00 0.00 -0.74 0.00 0.00 36.82 37.19 1de1 h ILE 48 CO 0.05 0.06 -0.01 0.00 0.00 0.00 0.00 178.15 178.25 1de1 h ALA 49 N 1.39 -0.04 -0.21 1.87 0.00 -0.84 -1.59 119.26 119.83 1de1 h ALA 49 Ca 0.27 -0.07 0.01 0.00 0.00 0.00 0.00 54.91 55.12 1de1 h ALA 49 Cb 0.34 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 1de1 h ALA 49 CO -0.30 -0.46 0.14 1.49 0.00 0.00 0.00 179.25 180.13 1de1 h GLU 50 N -0.16 0.26 0.43 0.00 4.81 -0.99 -2.05 114.58 116.87 1de1 h GLU 50 Ca -0.00 -0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.19 1de1 h GLU 50 Cb 0.15 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.48 1de1 h GLU 50 CO 0.01 0.17 -0.20 1.25 -0.73 0.00 0.00 179.01 179.50 1de1 h LEU 51 N 0.27 -0.48 -0.98 1.64 5.85 0.18 -0.82 115.31 120.96 1de1 h LEU 51 Ca 0.08 0.02 0.29 0.00 0.84 0.00 0.00 57.88 59.11 1de1 h LEU 51 Cb -0.00 0.13 -0.14 0.00 0.37 0.00 0.00 40.66 41.01 1de1 h LEU 51 CO -0.02 -0.25 0.52 -0.07 -0.34 0.00 0.00 178.44 178.28 1de1 h LEU 52 N -0.76 0.46 -0.96 2.25 3.38 -1.17 1.33 115.31 119.83 1de1 h LEU 52 Ca -0.06 0.18 -0.09 0.00 0.09 0.00 0.00 57.88 58.00 1de1 h LEU 52 Cb 0.44 0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.31 1de1 h LEU 52 CO 0.10 -0.09 -0.26 0.74 0.09 0.00 0.00 178.44 179.01 1de1 h THR 53 N 0.36 1.27 -0.04 0.22 2.02 -1.35 -2.30 112.91 113.08 1de1 h THR 53 Ca 0.68 -1.27 -0.01 0.00 0.77 0.00 0.00 66.41 66.58 1de1 h THR 53 Cb 1.48 1.38 -0.00 0.00 -1.74 0.00 0.00 68.15 69.27 1de1 h THR 53 CO -0.59 0.40 -0.00 0.50 0.37 0.00 0.00 175.52 176.20 1de1 h LYS 54 N 0.40 0.08 -0.04 6.66 1.63 0.32 -2.80 116.57 122.81 1de1 h LYS 54 Ca 0.06 -0.03 0.01 0.00 -0.85 0.00 0.00 60.65 59.84 1de1 h LYS 54 Cb 0.67 -0.01 -0.00 0.00 -0.60 0.00 0.00 32.23 32.29 1de1 h LYS 54 CO 0.05 0.38 0.04 -0.07 -3.45 0.00 0.00 179.45 176.40 1de1 h LEU 55 N -0.23 0.00 -0.01 5.20 4.07 -0.84 -3.46 115.31 120.04 1de1 h LEU 55 Ca 0.01 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.97 1de1 h LEU 55 Cb 0.34 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.08 1de1 h LEU 55 CO 0.00 0.00 0.00 0.61 -1.08 0.00 0.00 178.44 177.97 1de1 n GLY 56 N -1.33 1.19 2.85 0.83 0.00 -0.98 -4.93 105.19 102.83 1de1 n GLY 56 Ca -0.02 -0.44 -0.12 0.00 0.00 0.00 0.00 46.02 45.44 1de1 n GLY 56 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1de1 n ARG 57 N -0.99 0.64 -0.08 1.61 1.85 -0.90 -5.05 116.66 113.73 1de1 n ARG 57 Ca 0.00 -2.27 -0.16 0.00 -1.00 0.00 0.00 57.85 54.42 1de1 n ARG 57 Cb 0.25 2.26 -0.06 0.00 -1.05 0.00 0.00 32.46 33.86 1de1 n ARG 57 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 1de1 n ASP 58 N -1.67 1.58 -4.93 2.89 9.92 -1.26 -4.06 116.55 119.02 1de1 n ASP 58 Ca -0.01 0.12 -0.25 0.00 -0.53 0.00 0.00 54.79 54.13 1de1 n ASP 58 Cb 0.49 -0.41 -0.01 0.00 -0.64 0.00 0.00 41.12 40.55 1de1 n ASP 58 CO 0.00 0.00 0.00 0.28 0.13 0.00 0.00 177.20 177.61 1de1 s THR 59 N -2.30 5.03 -0.47 -3.53 -1.32 -1.26 -4.95 115.64 106.84 1de1 s THR 59 Ca -0.22 -0.31 -0.07 0.00 -1.21 0.00 0.00 61.69 59.87 1de1 s THR 59 Cb 0.08 -3.85 0.12 0.00 -1.51 0.00 0.00 72.50 67.33 1de1 s THR 59 CO 0.30 -0.62 0.32 0.00 -2.21 0.00 0.00 174.62 172.41 1de1 s GLN 60 N -4.42 2.38 -1.20 7.08 0.00 -1.26 -5.02 119.66 117.22 1de1 s GLN 60 Ca 0.42 -1.83 -0.20 0.00 -0.00 0.00 0.00 55.36 53.75 1de1 s GLN 60 Cb -0.10 -3.84 0.06 0.00 0.00 0.00 0.00 33.01 29.13 1de1 s GLN 60 CO 0.38 -1.17 1.64 0.42 0.00 0.00 0.00 175.29 176.56 1de1 s ILE 61 N 1.22 4.04 -0.96 3.63 1.09 -1.26 -3.93 121.20 125.02 1de1 s ILE 61 Ca 0.07 -1.49 0.00 0.00 -1.10 0.00 0.00 60.65 58.13 1de1 s ILE 61 Cb -0.25 -5.14 0.00 0.00 -1.06 0.00 0.00 42.46 36.01 1de1 s ILE 61 CO -0.02 -1.99 0.00 0.61 -0.10 0.00 0.00 174.94 173.44 1de1 n GLY 62 N 5.94 0.77 3.72 6.18 0.00 -1.26 -4.97 105.19 115.57 1de1 n GLY 62 Ca 0.43 -0.56 -0.42 0.00 0.00 0.00 0.00 46.02 45.47 1de1 n GLY 62 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1de1 s LEU 63 N -2.38 4.39 0.30 0.99 1.98 -1.25 -5.02 118.68 117.68 1de1 s LEU 63 Ca 0.00 2.27 0.03 0.00 -2.89 0.00 0.00 54.13 53.53 1de1 s LEU 63 Cb 0.00 -3.59 -0.06 0.00 0.66 0.00 0.00 46.19 43.20 1de1 s LEU 63 CO 0.00 -0.56 0.08 -0.89 -1.89 0.00 0.00 176.35 173.09 1de1 s THR 64 N 0.77 0.85 0.15 3.68 2.01 -1.26 -5.07 115.64 116.77 1de1 s THR 64 Ca 0.61 -2.00 0.05 0.00 0.31 0.00 0.00 61.69 60.66 1de1 s THR 64 Cb -0.35 -2.69 -0.04 0.00 0.01 0.00 0.00 72.50 69.43 1de1 s THR 64 CO 0.32 0.00 0.10 -0.04 -0.69 0.00 0.00 174.62 174.31 1de1 s MET 65 N -3.94 2.79 0.11 4.92 -1.94 -1.26 -3.74 119.30 116.24 1de1 s MET 65 Ca 0.36 -0.90 -0.29 0.00 -1.71 0.00 0.00 55.69 53.16 1de1 s MET 65 Cb 0.08 -2.59 -0.06 0.00 2.01 0.00 0.00 34.83 34.26 1de1 s MET 65 CO 0.15 0.49 0.91 -2.14 -0.01 0.00 0.00 175.02 174.42 1de1 s PRO 66 N -2.96 4.67 -0.31 2.03 0.02 -1.26 -4.98 135.00 132.20 1de1 s PRO 66 Ca 0.30 1.37 -0.20 0.00 0.02 0.00 0.00 61.00 62.49 1de1 s PRO 66 Cb -0.10 -3.36 -0.01 0.00 0.02 0.00 0.00 34.50 31.05 1de1 s PRO 66 CO 0.22 0.27 0.62 -1.14 -0.33 0.00 0.00 177.00 176.64 1de1 s GLN 67 N -0.17 3.86 0.26 5.54 -0.44 0.15 -4.31 119.66 124.55 1de1 s GLN 67 Ca 0.44 0.24 0.06 0.00 -2.50 0.00 0.00 55.36 53.60 1de1 s GLN 67 Cb -0.23 -3.74 -0.03 0.00 -1.64 0.00 0.00 33.01 27.37 1de1 s GLN 67 CO 0.29 -0.59 0.29 0.08 0.50 0.00 0.00 175.29 175.86 1de1 s VAL 68 N 2.59 4.67 0.04 1.34 1.01 -0.68 0.17 120.40 129.55 1de1 s VAL 68 Ca 0.24 -1.21 -0.04 0.00 0.00 0.00 0.00 61.98 60.97 1de1 s VAL 68 Cb -0.15 -3.57 -0.02 0.00 0.00 0.00 0.00 36.38 32.65 1de1 s VAL 68 CO 0.12 -0.32 0.06 -0.36 0.00 0.00 0.00 175.10 174.61 1de1 s PHE 69 N -2.09 0.27 0.74 5.22 0.40 0.32 -2.82 117.98 120.02 1de1 s PHE 69 Ca 0.35 -0.62 -0.13 0.00 -0.60 0.00 0.00 56.93 55.92 1de1 s PHE 69 Cb -0.08 -0.19 0.04 0.00 0.51 0.00 0.00 43.02 43.30 1de1 s PHE 69 CO 0.27 -0.36 1.14 0.00 0.70 0.00 0.00 175.22 176.97 1de1 s ALA 70 N -2.82 2.18 0.29 5.36 0.00 0.34 -1.81 121.76 125.30 1de1 s ALA 70 Ca -0.03 0.60 -0.01 0.00 0.00 0.00 0.00 51.96 52.51 1de1 s ALA 70 Cb 0.00 -3.37 0.46 0.00 0.00 0.00 0.00 23.12 20.20 1de1 s ALA 70 CO -0.06 -1.76 1.92 -1.35 0.00 0.00 0.00 175.76 174.52 1de1 h PRO 71 N -0.56 1.08 0.00 0.00 0.11 -1.90 -2.01 132.00 128.73 1de1 h PRO 71 Ca -0.46 -0.07 0.00 0.00 0.11 0.00 0.00 66.00 65.59 1de1 h PRO 71 Cb 1.26 -0.24 0.00 0.00 0.11 0.00 0.00 31.00 32.13 1de1 h PRO 71 CO 0.50 0.72 -0.92 -0.40 -0.21 0.00 0.00 178.00 177.69 1de1 n ASP 72 N -4.46 0.67 0.00 -2.05 5.68 -1.26 -3.77 116.55 111.36 1de1 n ASP 72 Ca 0.13 0.04 0.00 0.00 -0.50 0.00 0.00 54.79 54.46 1de1 n ASP 72 Cb 0.13 0.54 0.00 0.00 -1.14 0.00 0.00 41.12 40.66 1de1 n ASP 72 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1de1 n GLY 73 N 1.31 1.44 3.59 6.12 0.00 -0.76 -5.14 105.19 111.75 1de1 n GLY 73 Ca 0.02 -0.63 -0.02 0.00 0.00 0.00 0.00 46.02 45.39 1de1 n GLY 73 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1de1 s SER 74 N 0.00 -0.85 -0.23 1.61 0.01 -1.26 -4.81 113.70 108.17 1de1 s SER 74 Ca 0.00 1.24 -0.30 0.00 1.31 0.00 0.00 55.95 58.20 1de1 s SER 74 Cb 0.00 1.75 -0.07 0.00 0.21 0.00 0.00 66.02 67.91 1de1 s SER 74 CO 0.00 -0.18 2.20 1.57 0.41 0.00 0.00 173.24 177.24 1de1 n HIS 75 N 4.77 1.93 -0.10 2.43 -0.00 -1.26 0.13 115.22 123.12 1de1 n HIS 75 Ca -0.14 -0.06 -0.22 0.00 0.46 0.00 0.00 57.72 57.75 1de1 n HIS 75 Cb 0.54 -2.70 -0.12 0.00 -0.12 0.00 0.00 29.99 27.60 1de1 n HIS 75 CO 0.00 0.00 0.00 0.82 0.46 0.00 0.00 176.34 177.62 1de1 h ILE 76 N 7.02 0.90 0.00 3.57 2.04 -1.85 -3.47 117.51 125.73 1de1 h ILE 76 Ca -0.39 -2.18 0.00 0.00 1.00 0.00 0.00 64.86 63.29 1de1 h ILE 76 Cb 1.26 2.21 0.00 0.00 -0.74 0.00 0.00 36.82 39.55 1de1 h ILE 76 CO 0.97 0.31 0.00 0.61 0.00 0.00 0.00 178.15 180.04 1de1 n GLY 77 N 1.44 0.58 0.00 5.37 0.00 -1.23 -4.61 105.19 106.74 1de1 n GLY 77 Ca -0.32 -1.97 0.00 0.00 0.00 0.00 0.00 46.02 43.72 1de1 n GLY 77 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1de1 n GLY 78 N 0.00 1.21 0.26 -0.02 0.00 -1.26 -1.69 105.19 103.69 1de1 n GLY 78 Ca 0.00 -1.53 -0.09 0.00 0.00 0.00 0.00 46.02 44.40 1de1 n GLY 78 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1de1 h PHE 79 N 0.00 -0.54 -0.88 1.61 3.57 -1.92 -2.73 116.94 116.05 1de1 h PHE 79 Ca 0.00 -0.01 0.13 0.00 3.53 0.00 0.00 57.97 61.62 1de1 h PHE 79 Cb 0.00 0.18 -0.07 0.00 2.79 0.00 0.00 35.95 38.85 1de1 h PHE 79 CO 0.00 -0.33 0.57 0.22 -2.23 0.00 0.00 178.31 176.53 1de1 h ASP 80 N -1.12 0.67 -0.85 0.41 1.82 -1.98 -0.34 116.42 115.04 1de1 h ASP 80 Ca -0.06 0.04 -0.00 0.00 -0.39 0.00 0.00 57.03 56.61 1de1 h ASP 80 Cb 0.44 -0.10 -0.04 0.00 0.68 0.00 0.00 39.33 40.32 1de1 h ASP 80 CO 0.10 0.35 0.52 1.56 -1.61 0.00 0.00 179.24 180.15 1de1 h GLN 81 N 0.71 1.14 0.07 0.28 1.08 -1.87 -2.48 115.11 114.04 1de1 h GLN 81 Ca 0.44 -0.10 -0.00 0.00 -1.45 0.00 0.00 58.65 57.53 1de1 h GLN 81 Cb 0.66 -0.24 0.00 0.00 -0.05 0.00 0.00 27.48 27.85 1de1 h GLN 81 CO -0.20 0.80 -0.03 1.25 -0.95 0.00 0.00 178.83 179.70 1de1 h LEU 82 N 1.16 -0.08 -1.96 1.46 5.85 -0.75 0.15 115.31 121.14 1de1 h LEU 82 Ca 0.30 -0.18 0.20 0.00 0.84 0.00 0.00 57.88 59.05 1de1 h LEU 82 Cb -0.06 0.02 -0.03 0.00 0.37 0.00 0.00 40.66 40.97 1de1 h LEU 82 CO -0.06 0.14 0.57 -0.09 -0.34 0.00 0.00 178.44 178.66 1de1 h ARG 83 N -0.30 0.00 0.09 1.25 9.65 -1.24 1.37 114.38 125.20 1de1 h ARG 83 Ca -0.01 0.00 -0.26 0.00 -1.10 0.00 0.00 59.98 58.61 1de1 h ARG 83 Cb 0.26 0.00 -0.00 0.00 -1.39 0.00 0.00 29.97 28.83 1de1 h ARG 83 CO 0.02 0.00 -1.17 0.93 2.80 0.00 0.00 179.97 182.55 1de1 h GLU 84 N 0.00 0.21 -0.11 0.20 4.39 -0.92 1.13 114.58 119.47 1de1 h GLU 84 Ca 0.33 -0.35 -0.09 0.00 0.34 0.00 0.00 59.36 59.59 1de1 h GLU 84 Cb 1.48 0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 30.24 1de1 h GLU 84 CO -0.00 1.16 -0.33 -0.92 -1.16 0.00 0.00 179.01 177.76 1de1 h TYR 85 N 0.06 0.25 0.00 4.33 5.03 0.36 -3.36 116.97 123.63 1de1 h TYR 85 Ca -0.10 -0.06 0.00 0.00 2.58 0.00 0.00 58.73 61.15 1de1 h TYR 85 Cb 1.90 -0.06 0.00 0.00 1.55 0.00 0.00 36.73 40.12 1de1 h TYR 85 CO 0.05 0.53 0.00 1.19 -1.32 0.00 0.00 178.16 178.61 1de1 n PHE 86 N -4.10 0.00 1.50 -3.82 3.72 0.14 -5.08 117.46 109.81 1de1 n PHE 86 Ca -0.01 0.00 0.14 0.00 -0.05 0.00 0.00 57.45 57.53 1de1 n PHE 86 Cb 0.42 -0.09 0.52 0.00 -0.94 0.00 0.00 39.48 39.39 1de1 n PHE 86 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 176.76 177.88