#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 -0.32 -3.70 1.12 3.72 -0.87 -4.10 117.46 113.31 1de2 n PHE 2 Ca 0.00 0.16 -0.21 0.00 -0.05 0.00 0.00 57.45 57.35 1de2 n PHE 2 Cb 0.00 -1.84 -0.18 0.00 -0.94 0.00 0.00 39.48 36.52 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 -4.36 0.13 0.06 -1.08 3.01 -0.96 -0.42 119.74 116.12 1de2 s LYS 3 Ca 0.66 0.27 0.04 0.00 -1.01 0.00 0.00 55.97 55.92 1de2 s LYS 3 Cb -0.23 -0.74 -0.04 0.00 -1.01 0.00 0.00 37.83 35.81 1de2 s LYS 3 CO 0.62 -0.35 -0.00 0.08 0.51 0.00 0.00 175.35 176.21 1de2 s VAL 4 N 2.11 4.05 -0.30 3.17 1.01 -0.42 0.64 120.40 130.66 1de2 s VAL 4 Ca 0.05 -0.85 -0.01 0.00 0.00 0.00 0.00 61.98 61.18 1de2 s VAL 4 Cb -0.12 -2.88 0.09 0.00 0.00 0.00 0.00 36.38 33.47 1de2 s VAL 4 CO -0.04 0.22 0.08 -0.31 0.00 0.00 0.00 175.10 175.05 1de2 s TYR 5 N -1.22 1.85 0.00 5.22 1.51 0.37 0.81 117.35 125.90 1de2 s TYR 5 Ca 0.23 -1.76 0.00 0.00 -1.01 0.00 0.00 57.07 54.54 1de2 s TYR 5 Cb -0.12 -1.74 0.00 0.00 -0.11 0.00 0.00 41.96 40.00 1de2 s TYR 5 CO 0.15 -0.85 0.00 0.41 -1.11 0.00 0.00 175.55 174.15 1de2 n GLY 6 N 4.81 3.25 3.75 0.71 0.00 0.54 -0.67 105.19 117.58 1de2 n GLY 6 Ca -0.03 -0.06 -0.24 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 0.43 2.98 -1.67 1.61 2.02 -1.26 -0.36 117.35 121.10 1de2 s TYR 7 Ca 0.00 -0.11 0.29 0.00 -0.37 0.00 0.00 57.07 56.87 1de2 s TYR 7 Cb 0.00 -1.39 1.19 0.00 -0.40 0.00 0.00 41.96 41.36 1de2 s TYR 7 CO 0.00 0.54 1.83 -3.47 -1.57 0.00 0.00 175.55 172.88 1de2 n ASP 8 N -0.64 0.53 0.00 2.29 2.03 -1.26 -4.90 116.55 114.60 1de2 n ASP 8 Ca -0.08 -0.62 0.00 0.00 0.52 0.00 0.00 54.79 54.61 1de2 n ASP 8 Cb 0.56 -0.05 0.00 0.00 -0.72 0.00 0.00 41.12 40.91 1de2 n ASP 8 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 1de2 n SER 9 N -0.91 0.00 0.08 1.67 7.64 -1.21 -4.72 113.62 116.17 1de2 n SER 9 Ca 0.14 0.00 -0.10 0.00 1.01 0.00 0.00 58.87 59.93 1de2 n SER 9 Cb 0.28 0.00 -0.00 0.00 -1.01 0.00 0.00 64.21 63.48 1de2 n SER 9 CO 0.00 0.00 0.00 -1.13 -3.01 0.00 0.00 175.04 170.90 1de2 h ASN 10 N 0.00 0.35 0.43 6.43 -1.24 -2.00 -3.31 115.58 116.25 1de2 h ASN 10 Ca 0.00 -0.27 -0.30 0.00 0.71 0.00 0.00 56.30 56.44 1de2 h ASN 10 Cb 0.00 -0.11 -0.04 0.00 0.73 0.00 0.00 38.32 38.90 1de2 h ASN 10 CO 0.00 1.05 -1.74 0.40 -1.29 0.00 0.00 177.43 175.85 1de2 h ILE 11 N 0.16 0.83 -3.47 2.57 2.04 -1.94 -3.47 117.51 114.25 1de2 h ILE 11 Ca -0.05 -2.65 -0.27 0.00 1.00 0.00 0.00 64.86 62.89 1de2 h ILE 11 Cb 1.46 2.46 -0.32 0.00 -0.74 0.00 0.00 36.82 39.68 1de2 h ILE 11 CO 0.14 0.59 -0.68 -2.28 0.00 0.00 0.00 178.15 175.91 1de2 s HIS 12 N -2.59 -0.04 0.53 1.37 5.04 -1.24 -4.71 115.29 113.65 1de2 s HIS 12 Ca -0.08 0.23 -0.19 0.00 -1.54 0.00 0.00 55.06 53.48 1de2 s HIS 12 Cb 0.08 -0.14 -0.06 0.00 0.04 0.00 0.00 32.58 32.49 1de2 s HIS 12 CO 0.82 -0.10 1.07 0.21 -2.34 0.00 0.00 174.74 174.40 1de2 s LYS 13 N 0.89 3.53 0.00 2.88 2.36 -1.26 -3.34 119.74 124.80 1de2 s LYS 13 Ca -0.07 1.40 0.00 0.00 -2.55 0.00 0.00 55.97 54.75 1de2 s LYS 13 Cb -0.10 -2.05 0.00 0.00 -1.05 0.00 0.00 37.83 34.63 1de2 s LYS 13 CO -0.03 -0.67 0.00 0.00 1.55 0.00 0.00 175.35 176.20 1de2 h VAL 15 N 0.00 1.03 -0.08 0.00 -1.51 -2.00 -0.37 116.25 113.31 1de2 h VAL 15 Ca 0.00 -0.29 0.02 0.00 -1.23 0.00 0.00 66.70 65.21 1de2 h VAL 15 Cb 0.00 0.12 -0.00 0.00 -2.13 0.00 0.00 31.29 29.27 1de2 h VAL 15 CO 0.00 0.15 0.14 1.88 -1.23 0.00 0.00 177.57 178.52 1de2 h TYR 16 N 0.84 0.00 0.26 5.19 -1.99 -1.99 -2.25 116.97 117.03 1de2 h TYR 16 Ca 0.34 0.00 -0.01 0.00 2.00 0.00 0.00 58.73 61.06 1de2 h TYR 16 Cb 0.25 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.98 1de2 h TYR 16 CO -0.00 0.00 -0.12 0.00 -0.00 0.00 0.00 178.16 178.04 1de2 h ASP 18 N -0.59 0.37 -0.29 0.00 3.32 -1.58 0.72 116.42 118.37 1de2 h ASP 18 Ca -0.04 0.06 -0.00 0.00 0.02 0.00 0.00 57.03 57.07 1de2 h ASP 18 Cb 0.26 -0.01 -0.01 0.00 0.22 0.00 0.00 39.33 39.79 1de2 h ASP 18 CO 0.06 0.10 0.17 0.78 -1.72 0.00 0.00 179.24 178.63 1de2 h ASN 19 N 0.34 0.35 -0.64 6.45 4.21 -1.43 -2.72 115.58 122.14 1de2 h ASN 19 Ca 0.54 -0.05 0.00 0.00 1.21 0.00 0.00 56.30 58.00 1de2 h ASN 19 Cb 1.47 -0.09 -0.03 0.00 -1.12 0.00 0.00 38.32 38.55 1de2 h ASN 19 CO -0.21 0.30 0.40 0.00 -1.29 0.00 0.00 177.43 176.63 1de2 h ALA 20 N 1.07 0.81 -0.88 -0.83 0.00 -0.51 -1.88 119.26 117.03 1de2 h ALA 20 Ca 0.10 -0.06 0.15 0.00 0.00 0.00 0.00 54.91 55.10 1de2 h ALA 20 Cb 0.01 -0.26 -0.07 0.00 0.00 0.00 0.00 17.79 17.48 1de2 h ALA 20 CO -0.02 0.27 0.57 -0.22 0.00 0.00 0.00 179.25 179.85 1de2 h LYS 21 N 0.87 0.64 0.00 0.00 3.64 -1.21 0.46 116.57 120.97 1de2 h LYS 21 Ca 0.23 -0.04 -0.09 0.00 -1.27 0.00 0.00 60.65 59.48 1de2 h LYS 21 Cb -0.05 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 31.61 1de2 h LYS 21 CO -0.05 0.42 -0.43 -0.09 -2.27 0.00 0.00 179.45 177.03 1de2 h ARG 22 N 0.66 0.00 0.40 1.90 9.65 -1.06 -2.26 114.38 123.67 1de2 h ARG 22 Ca 0.44 0.00 -0.01 0.00 -1.10 0.00 0.00 59.98 59.31 1de2 h ARG 22 Cb 0.75 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 29.31 1de2 h ARG 22 CO -0.20 0.43 -0.31 1.25 2.80 0.00 0.00 179.97 183.94 1de2 h LEU 23 N 0.00 -0.82 -0.55 3.80 6.46 0.44 0.32 115.31 124.95 1de2 h LEU 23 Ca -0.00 0.06 -0.05 0.00 -0.12 0.00 0.00 57.88 57.77 1de2 h LEU 23 Cb 0.84 0.26 -0.02 0.00 -0.73 0.00 0.00 40.66 41.01 1de2 h LEU 23 CO 0.06 -0.47 0.16 -0.07 -0.62 0.00 0.00 178.44 177.50 1de2 h LEU 24 N -0.71 0.82 -1.57 2.25 3.38 -1.47 -0.84 115.31 117.17 1de2 h LEU 24 Ca -0.04 -0.22 0.04 0.00 0.09 0.00 0.00 57.88 57.76 1de2 h LEU 24 Cb 0.61 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.12 1de2 h LEU 24 CO -0.01 0.82 0.34 0.74 0.09 0.00 0.00 178.44 180.43 1de2 h THR 25 N 0.78 1.03 0.01 0.22 2.02 -1.14 -0.12 112.91 115.71 1de2 h THR 25 Ca 0.18 -0.19 -0.19 0.00 0.77 0.00 0.00 66.41 66.98 1de2 h THR 25 Cb 0.30 0.43 -0.02 0.00 -1.74 0.00 0.00 68.15 67.12 1de2 h THR 25 CO -0.00 0.10 -0.88 0.58 0.37 0.00 0.00 175.52 175.69 1de2 h VAL 26 N 0.55 1.56 0.00 3.16 2.07 0.16 -3.13 116.25 120.63 1de2 h VAL 26 Ca 0.21 -2.81 0.00 0.00 0.82 0.00 0.00 66.70 64.92 1de2 h VAL 26 Cb 0.16 2.55 0.00 0.00 -1.52 0.00 0.00 31.29 32.48 1de2 h VAL 26 CO -0.06 0.81 0.00 0.11 0.02 0.00 0.00 177.57 178.45 1de2 h LYS 27 N 0.04 0.00 -3.89 1.57 1.79 0.30 -3.48 116.57 112.91 1de2 h LYS 27 Ca -0.03 0.00 -0.09 0.00 -2.18 0.00 0.00 60.65 58.36 1de2 h LYS 27 Cb 1.53 0.00 0.07 0.00 -1.58 0.00 0.00 32.23 32.25 1de2 h LYS 27 CO 0.12 0.00 -0.30 1.17 -1.08 0.00 0.00 179.45 179.36 1de2 n LYS 28 N -3.03 -0.80 -3.91 3.15 3.00 -0.21 -5.08 118.16 111.27 1de2 n LYS 28 Ca 0.03 0.34 -0.11 0.00 -0.00 0.00 0.00 58.31 58.56 1de2 n LYS 28 Cb 0.43 -3.07 -0.13 0.00 0.00 0.00 0.00 35.03 32.26 1de2 n LYS 28 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.40 176.75 1de2 s GLN 29 N -3.48 0.10 0.21 1.64 -1.52 -1.19 -5.08 119.66 110.34 1de2 s GLN 29 Ca 0.16 -0.16 -0.30 0.00 -1.95 0.00 0.00 55.36 53.11 1de2 s GLN 29 Cb -0.02 0.00 -0.08 0.00 -0.22 0.00 0.00 33.01 32.69 1de2 s GLN 29 CO 0.27 -0.01 1.08 -1.25 -0.25 0.00 0.00 175.29 175.13 1de2 s PRO 30 N -0.36 4.64 0.25 2.91 0.04 -1.26 -4.71 135.00 136.51 1de2 s PRO 30 Ca -0.04 1.70 -0.13 0.00 0.04 0.00 0.00 61.00 62.58 1de2 s PRO 30 Cb -0.03 -3.26 -0.00 0.00 0.04 0.00 0.00 34.50 31.25 1de2 s PRO 30 CO -0.00 0.17 0.49 -0.59 0.04 0.00 0.00 177.00 177.10 1de2 s PHE 31 N -0.57 0.37 -0.03 0.56 -0.12 -1.26 -2.04 117.98 114.89 1de2 s PHE 31 Ca 0.47 -0.74 0.00 0.00 -0.05 0.00 0.00 56.93 56.62 1de2 s PHE 31 Cb -0.29 0.20 0.03 0.00 -0.63 0.00 0.00 43.02 42.32 1de2 s PHE 31 CO 0.36 -1.01 0.01 -1.21 -0.05 0.00 0.00 175.22 173.32 1de2 s GLU 32 N -3.97 0.21 0.43 1.99 2.02 0.44 -4.83 118.70 114.99 1de2 s GLU 32 Ca 0.22 0.11 -0.03 0.00 0.02 0.00 0.00 54.97 55.30 1de2 s GLU 32 Cb -0.01 -0.43 -0.03 0.00 0.10 0.00 0.00 34.13 33.76 1de2 s GLU 32 CO 0.09 -0.15 0.70 0.12 0.02 0.00 0.00 175.26 176.04 1de2 s PHE 33 N 1.08 3.54 -0.11 1.61 5.36 -1.26 -1.30 117.98 126.89 1de2 s PHE 33 Ca -0.09 0.64 -0.04 0.00 -0.96 0.00 0.00 56.93 56.48 1de2 s PHE 33 Cb -0.13 -2.15 0.06 0.00 -0.34 0.00 0.00 43.02 40.45 1de2 s PHE 33 CO -0.02 -0.13 0.22 0.42 -1.46 0.00 0.00 175.22 174.25 1de2 s ILE 34 N -2.58 -0.31 -0.24 3.12 1.01 0.24 -4.79 121.20 117.65 1de2 s ILE 34 Ca 0.45 0.29 -0.19 0.00 0.00 0.00 0.00 60.65 61.20 1de2 s ILE 34 Cb -0.10 -0.38 -0.03 0.00 0.01 0.00 0.00 42.46 41.96 1de2 s ILE 34 CO 0.42 0.12 0.55 0.54 0.00 0.00 0.00 174.94 176.57 1de2 s ASN 35 N 2.21 6.52 0.00 3.58 2.20 -1.26 -0.34 114.94 127.86 1de2 s ASN 35 Ca 0.00 0.63 0.30 0.00 -0.94 0.00 0.00 52.86 52.86 1de2 s ASN 35 Cb -0.12 -2.30 1.56 0.00 -2.00 0.00 0.00 41.25 38.39 1de2 s ASN 35 CO -0.07 -0.28 2.07 2.30 -2.94 0.00 0.00 177.10 178.17 1de2 n ILE 36 N 4.97 0.00 -3.78 0.54 -5.35 0.51 -4.61 119.36 111.64 1de2 n ILE 36 Ca -0.03 -0.01 -0.28 0.00 -0.27 0.00 0.00 62.75 62.16 1de2 n ILE 36 Cb 0.50 -0.44 -0.16 0.00 -1.74 0.00 0.00 39.64 37.79 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 -2.44 0.86 0.17 6.28 1.75 -1.26 0.19 119.30 124.85 1de2 s MET 37 Ca 0.33 -0.49 0.07 0.00 -1.25 0.00 0.00 55.69 54.35 1de2 s MET 37 Cb 0.21 -2.12 -0.00 0.00 2.84 0.00 0.00 34.83 35.76 1de2 s MET 37 CO 0.44 -0.60 1.39 -1.00 -0.65 0.00 0.00 175.02 174.61 1de2 h PRO 38 N 8.19 0.05 -4.16 4.11 0.13 -1.82 -3.45 132.00 135.06 1de2 h PRO 38 Ca -0.17 -0.06 -0.15 0.00 -0.87 0.00 0.00 66.00 64.75 1de2 h PRO 38 Cb 1.11 0.02 -0.18 0.00 0.13 0.00 0.00 31.00 32.08 1de2 h PRO 38 CO 0.35 0.88 -0.69 -2.00 -0.23 0.00 0.00 178.00 176.31 1de2 s GLU 39 N -3.08 0.49 0.00 0.86 2.56 -1.25 -5.01 118.70 113.27 1de2 s GLU 39 Ca -0.01 -0.95 0.07 0.00 0.00 0.00 0.00 54.97 54.09 1de2 s GLU 39 Cb 0.11 0.13 0.31 0.00 2.00 0.00 0.00 34.13 36.68 1de2 s GLU 39 CO 0.81 -0.07 1.15 0.36 -0.56 0.00 0.00 175.26 176.94 1de2 n LYS 40 N 0.79 0.04 -0.07 4.30 0.00 -1.26 -2.74 118.16 119.23 1de2 n LYS 40 Ca -0.19 0.31 -0.11 0.00 -0.00 0.00 0.00 58.31 58.32 1de2 n LYS 40 Cb 0.58 -1.50 -0.10 0.00 -0.00 0.00 0.00 35.03 34.01 1de2 n LYS 40 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.40 178.18 1de2 h GLY 41 N 1.13 0.00 -4.05 2.58 0.00 -1.95 -3.49 103.07 97.29 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 -0.28 0.14 0.00 0.00 0.00 176.54 176.40 1de2 s VAL 42 N -2.08 0.08 0.91 4.60 1.01 -1.11 -5.17 120.40 118.64 1de2 s VAL 42 Ca -0.15 -0.65 -0.12 0.00 0.00 0.00 0.00 61.98 61.05 1de2 s VAL 42 Cb -0.02 -0.83 0.14 0.00 0.00 0.00 0.00 36.38 35.66 1de2 s VAL 42 CO 0.54 -0.36 1.12 -0.36 0.00 0.00 0.00 175.10 176.04 1de2 s PHE 43 N -2.19 2.48 -0.39 5.22 0.40 -1.26 -3.78 117.98 118.46 1de2 s PHE 43 Ca -0.08 0.95 -0.15 0.00 -0.60 0.00 0.00 56.93 57.06 1de2 s PHE 43 Cb -0.02 -3.31 0.01 0.00 0.51 0.00 0.00 43.02 40.21 1de2 s PHE 43 CO -0.01 -2.36 0.29 -0.51 0.70 0.00 0.00 175.22 173.33 1de2 s ASP 44 N -3.87 6.10 0.53 1.36 1.01 0.52 -4.79 116.67 117.54 1de2 s ASP 44 Ca 0.63 -0.74 0.24 0.00 0.71 0.00 0.00 52.55 53.40 1de2 s ASP 44 Cb -0.16 -2.16 1.46 0.00 1.01 0.00 0.00 42.92 43.08 1de2 s ASP 44 CO 0.54 -0.40 2.13 0.44 0.21 0.00 0.00 175.17 178.09 1de2 h ASP 45 N 8.59 0.00 0.51 0.27 3.32 -1.96 -0.85 116.42 126.31 1de2 h ASP 45 Ca -0.28 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 56.74 1de2 h ASP 45 Cb 1.13 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.69 1de2 h ASP 45 CO 0.71 0.08 -0.25 -0.33 -1.72 0.00 0.00 179.24 177.73 1de2 h GLU 46 N 0.00 -0.67 -0.35 3.56 5.08 -1.94 0.67 114.58 120.93 1de2 h GLU 46 Ca -0.00 0.05 -0.11 0.00 -1.00 0.00 0.00 59.36 58.30 1de2 h GLU 46 Cb 0.19 0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.57 1de2 h GLU 46 CO 0.01 -0.38 -0.22 0.87 -1.00 0.00 0.00 179.01 178.29 1de2 h LYS 47 N -0.86 0.69 -0.45 2.33 6.56 -1.83 -1.18 116.57 121.84 1de2 h LYS 47 Ca -0.07 -0.27 -0.11 0.00 -1.06 0.00 0.00 60.65 59.14 1de2 h LYS 47 Cb 0.60 -0.04 -0.02 0.00 -0.57 0.00 0.00 32.23 32.20 1de2 h LYS 47 CO 0.12 0.86 -0.16 0.82 -2.06 0.00 0.00 179.45 179.02 1de2 h ILE 48 N 0.61 1.27 0.33 1.86 2.04 -1.09 -2.06 117.51 120.45 1de2 h ILE 48 Ca 0.09 -1.27 -0.02 0.00 1.00 0.00 0.00 64.86 64.66 1de2 h ILE 48 Cb 0.71 1.09 0.00 0.00 -0.74 0.00 0.00 36.82 37.88 1de2 h ILE 48 CO 0.05 0.44 -0.16 0.00 0.00 0.00 0.00 178.15 178.48 1de2 h ALA 49 N 1.06 -0.44 -0.42 1.87 0.00 0.60 -2.97 119.26 118.96 1de2 h ALA 49 Ca 0.11 -0.19 0.12 0.00 0.00 0.00 0.00 54.91 54.96 1de2 h ALA 49 Cb 0.68 0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.63 1de2 h ALA 49 CO 0.05 -0.51 0.33 1.05 0.00 0.00 0.00 179.25 180.17 1de2 h GLU 50 N -0.91 0.00 0.80 0.00 4.11 -1.26 -2.28 114.58 115.03 1de2 h GLU 50 Ca -0.04 0.00 -0.04 0.00 0.07 0.00 0.00 59.36 59.35 1de2 h GLU 50 Cb 0.52 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.78 1de2 h GLU 50 CO 0.07 0.00 -0.38 1.25 0.07 0.00 0.00 179.01 180.02 1de2 h LEU 51 N 0.00 -0.90 -1.06 3.06 5.85 -1.31 -1.29 115.31 119.65 1de2 h LEU 51 Ca 0.20 0.03 0.31 0.00 0.84 0.00 0.00 57.88 59.26 1de2 h LEU 51 Cb 0.85 0.23 -0.14 0.00 0.37 0.00 0.00 40.66 41.97 1de2 h LEU 51 CO -0.00 -0.58 0.60 -0.07 -0.34 0.00 0.00 178.44 178.05 1de2 h LEU 52 N -1.20 0.52 -0.84 2.25 3.38 -1.25 1.18 115.31 119.34 1de2 h LEU 52 Ca -0.11 0.17 -0.10 0.00 0.09 0.00 0.00 57.88 57.93 1de2 h LEU 52 Cb 0.82 0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.66 1de2 h LEU 52 CO 0.18 -0.08 -0.20 0.74 0.09 0.00 0.00 178.44 179.17 1de2 h THR 53 N 0.36 1.26 0.02 0.22 2.02 -1.31 -1.76 112.91 113.73 1de2 h THR 53 Ca 0.72 -1.25 -0.00 0.00 0.77 0.00 0.00 66.41 66.65 1de2 h THR 53 Cb 1.65 1.22 0.00 0.00 -1.74 0.00 0.00 68.15 69.28 1de2 h THR 53 CO -0.55 0.41 -0.01 0.50 0.37 0.00 0.00 175.52 176.24 1de2 h LYS 54 N 0.57 -0.03 0.43 6.66 3.64 0.26 -3.21 116.57 124.89 1de2 h LYS 54 Ca 0.09 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.45 1de2 h LYS 54 Cb 0.66 0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 32.48 1de2 h LYS 54 CO 0.05 0.14 -0.26 -0.07 -2.27 0.00 0.00 179.45 177.04 1de2 h LEU 55 N -0.19 -0.64 0.00 5.20 4.07 -1.09 -3.43 115.31 119.23 1de2 h LEU 55 Ca -0.00 0.04 0.00 0.00 0.08 0.00 0.00 57.88 57.99 1de2 h LEU 55 Cb 0.18 0.19 0.00 0.00 1.08 0.00 0.00 40.66 42.11 1de2 h LEU 55 CO 0.01 -0.41 0.00 0.61 -1.08 0.00 0.00 178.44 177.56 1de2 n GLY 56 N -1.39 1.07 1.73 0.83 0.00 -0.67 -4.82 105.19 101.94 1de2 n GLY 56 Ca -0.11 0.32 -0.02 0.00 0.00 0.00 0.00 46.02 46.22 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 0.50 0.00 1.61 1.85 -1.26 -4.23 116.66 115.12 1de2 n ARG 57 Ca 0.00 -1.75 0.00 0.00 -1.00 0.00 0.00 57.85 55.10 1de2 n ARG 57 Cb 0.00 -0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.41 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 -0.19 0.00 -4.91 2.89 8.00 -1.26 -5.14 116.55 115.94 1de2 n ASP 58 Ca -0.10 0.00 -0.20 0.00 0.71 0.00 0.00 54.79 55.20 1de2 n ASP 58 Cb 0.89 0.00 -0.02 0.00 -0.02 0.00 0.00 41.12 41.97 1de2 n ASP 58 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 1de2 s THR 59 N 3.03 2.74 -0.72 -3.53 -1.32 -1.26 -5.03 115.64 109.55 1de2 s THR 59 Ca 0.00 -1.25 -0.23 0.00 -1.21 0.00 0.00 61.69 59.00 1de2 s THR 59 Cb 0.00 -2.99 0.07 0.00 -1.51 0.00 0.00 72.50 68.07 1de2 s THR 59 CO 0.00 0.00 1.05 0.00 -2.21 0.00 0.00 174.62 173.46 1de2 s GLN 60 N -4.19 3.20 -1.12 7.08 0.00 -1.26 -4.96 119.66 118.42 1de2 s GLN 60 Ca 0.50 -0.87 -0.21 0.00 -0.00 0.00 0.00 55.36 54.78 1de2 s GLN 60 Cb -0.05 -4.36 0.06 0.00 0.00 0.00 0.00 33.01 28.66 1de2 s GLN 60 CO 0.29 -1.88 1.54 0.42 0.00 0.00 0.00 175.29 175.66 1de2 s ILE 61 N 4.19 4.02 -1.59 3.63 1.01 -1.26 -4.01 121.20 127.20 1de2 s ILE 61 Ca 0.26 -1.21 -0.00 0.00 0.00 0.00 0.00 60.65 59.70 1de2 s ILE 61 Cb -0.13 -5.10 0.00 0.00 0.01 0.00 0.00 42.46 37.24 1de2 s ILE 61 CO 0.07 -1.96 0.03 0.61 0.00 0.00 0.00 174.94 173.70 1de2 n GLY 62 N 6.30 -0.40 3.42 6.18 0.00 -1.26 -4.92 105.19 114.51 1de2 n GLY 62 Ca 0.38 -0.09 -0.38 0.00 0.00 0.00 0.00 46.02 45.94 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 -2.74 -0.07 -4.16 0.99 0.00 -1.26 -5.01 117.00 104.75 1de2 n LEU 63 Ca -0.21 0.67 -0.12 0.00 0.00 0.00 0.00 56.01 56.35 1de2 n LEU 63 Cb 0.67 -1.12 -0.09 0.00 0.00 0.00 0.00 43.42 42.87 1de2 n LEU 63 CO 0.27 -3.42 -0.16 0.42 0.00 0.00 0.00 177.39 174.50 1de2 s THR 64 N -1.82 0.00 0.06 1.96 -4.23 -1.26 -5.16 115.64 105.19 1de2 s THR 64 Ca 0.65 -1.89 0.04 0.00 -1.18 0.00 0.00 61.69 59.32 1de2 s THR 64 Cb -0.42 -2.45 -0.03 0.00 1.34 0.00 0.00 72.50 70.95 1de2 s THR 64 CO 0.58 0.00 -0.12 -0.04 -0.54 0.00 0.00 174.62 174.49 1de2 s MET 65 N -4.12 0.74 0.31 3.99 1.00 -1.26 -4.18 119.30 115.79 1de2 s MET 65 Ca 0.36 -0.89 -0.16 0.00 0.00 0.00 0.00 55.69 55.00 1de2 s MET 65 Cb 0.05 -0.68 -0.09 0.00 0.00 0.00 0.00 34.83 34.11 1de2 s MET 65 CO 0.12 0.15 0.74 -1.25 0.00 0.00 0.00 175.02 174.78 1de2 s PRO 66 N -1.66 4.04 -0.10 2.03 0.05 -1.26 -5.01 135.00 133.09 1de2 s PRO 66 Ca -0.04 0.71 0.02 0.00 0.05 0.00 0.00 61.00 61.73 1de2 s PRO 66 Cb -0.10 -2.47 -0.02 0.00 0.05 0.00 0.00 34.50 31.96 1de2 s PRO 66 CO 0.02 0.18 -0.14 -0.65 0.05 0.00 0.00 177.00 176.45 1de2 s GLN 67 N -2.87 3.01 0.40 4.56 -0.21 0.16 -4.54 119.66 120.17 1de2 s GLN 67 Ca 0.53 -0.70 0.08 0.00 0.02 0.00 0.00 55.36 55.29 1de2 s GLN 67 Cb -0.11 -2.51 -0.02 0.00 1.00 0.00 0.00 33.01 31.37 1de2 s GLN 67 CO 0.18 0.38 0.38 0.08 -2.12 0.00 0.00 175.29 174.18 1de2 s VAL 68 N -0.08 2.91 -0.00 1.09 1.01 -0.79 0.14 120.40 124.67 1de2 s VAL 68 Ca -0.02 -1.31 -0.03 0.00 0.00 0.00 0.00 61.98 60.62 1de2 s VAL 68 Cb -0.14 -3.05 -0.00 0.00 0.00 0.00 0.00 36.38 33.19 1de2 s VAL 68 CO 0.04 -0.04 0.06 -0.36 0.00 0.00 0.00 175.10 174.80 1de2 s PHE 69 N -2.42 0.06 0.32 5.22 0.40 0.21 -2.65 117.98 119.12 1de2 s PHE 69 Ca 0.47 -0.12 -0.29 0.00 -0.60 0.00 0.00 56.93 56.39 1de2 s PHE 69 Cb -0.05 -0.06 -0.12 0.00 0.51 0.00 0.00 43.02 43.30 1de2 s PHE 69 CO 0.28 -0.16 1.41 0.00 0.70 0.00 0.00 175.22 177.45 1de2 n ALA 70 N 2.11 1.73 -0.30 5.36 0.00 -0.41 -2.27 120.51 126.74 1de2 n ALA 70 Ca -0.19 0.37 0.35 0.00 0.00 0.00 0.00 53.44 53.96 1de2 n ALA 70 Cb 0.57 -2.33 0.71 0.00 0.00 0.00 0.00 19.45 18.40 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 3.30 0.00 0.00 0.00 0.11 -1.91 -3.04 132.00 130.45 1de2 h PRO 71 Ca -0.47 0.00 -0.11 0.00 0.11 0.00 0.00 66.00 65.53 1de2 h PRO 71 Cb 1.26 0.00 -0.10 0.00 0.11 0.00 0.00 31.00 32.27 1de2 h PRO 71 CO 0.68 0.00 -0.21 -0.25 -0.21 0.00 0.00 178.00 178.01 1de2 n ASP 72 N -3.89 -0.88 0.00 -2.05 9.92 -1.26 -3.51 116.55 114.88 1de2 n ASP 72 Ca 0.25 -1.65 0.00 0.00 -0.53 0.00 0.00 54.79 52.86 1de2 n ASP 72 Cb 1.32 0.33 0.00 0.00 -0.64 0.00 0.00 41.12 42.13 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 -0.42 1.78 3.42 0.44 0.00 -1.15 -5.18 105.19 104.09 1de2 n GLY 73 Ca -0.18 -0.11 -0.17 0.00 0.00 0.00 0.00 46.02 45.56 1de2 n GLY 73 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1de2 s SER 74 N 1.00 1.25 -0.25 1.61 1.04 -1.26 -4.81 113.70 112.27 1de2 s SER 74 Ca 0.00 -1.61 -0.38 0.00 0.48 0.00 0.00 55.95 54.44 1de2 s SER 74 Cb 0.00 0.64 -0.14 0.00 0.10 0.00 0.00 66.02 66.62 1de2 s SER 74 CO 0.00 -1.24 1.83 1.57 0.98 0.00 0.00 173.24 176.39 1de2 n HIS 75 N -0.60 2.06 -0.04 5.02 -0.00 -1.26 -1.29 115.22 119.10 1de2 n HIS 75 Ca 0.03 0.39 -0.19 0.00 0.46 0.00 0.00 57.72 58.41 1de2 n HIS 75 Cb 0.62 -2.51 -0.13 0.00 -0.12 0.00 0.00 29.99 27.84 1de2 n HIS 75 CO 0.00 0.00 0.00 0.82 0.46 0.00 0.00 176.34 177.62 1de2 h ILE 76 N 5.53 1.27 0.00 3.57 2.04 -1.83 -3.46 117.51 124.62 1de2 h ILE 76 Ca -0.44 -2.33 0.00 0.00 1.00 0.00 0.00 64.86 63.09 1de2 h ILE 76 Cb 1.31 2.81 0.00 0.00 -0.74 0.00 0.00 36.82 40.20 1de2 h ILE 76 CO 0.97 0.56 0.00 0.61 0.00 0.00 0.00 178.15 180.29 1de2 n GLY 77 N 1.60 0.47 0.00 5.37 0.00 -1.24 -4.54 105.19 106.86 1de2 n GLY 77 Ca -0.22 -1.99 0.00 0.00 0.00 0.00 0.00 46.02 43.82 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 1.29 0.11 -0.02 0.00 -1.26 -1.89 105.19 103.41 1de2 n GLY 78 Ca 0.00 -1.84 -0.04 0.00 0.00 0.00 0.00 46.02 44.14 1de2 n GLY 78 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1de2 h PHE 79 N 0.00 -0.26 -0.91 1.61 3.04 -1.97 0.99 116.94 119.43 1de2 h PHE 79 Ca 0.00 -0.01 0.22 0.00 3.98 0.00 0.00 57.97 62.16 1de2 h PHE 79 Cb 0.00 0.09 -0.12 0.00 2.56 0.00 0.00 35.95 38.47 1de2 h PHE 79 CO 0.00 -0.16 0.43 0.22 -2.02 0.00 0.00 178.31 176.78 1de2 h ASP 80 N -0.30 0.41 -0.42 0.41 1.82 -1.99 0.70 116.42 117.05 1de2 h ASP 80 Ca -0.03 0.15 -0.09 0.00 -0.39 0.00 0.00 57.03 56.67 1de2 h ASP 80 Cb 0.22 0.11 -0.01 0.00 0.68 0.00 0.00 39.33 40.32 1de2 h ASP 80 CO 0.05 0.03 -0.10 -0.61 -1.61 0.00 0.00 179.24 177.00 1de2 h GLN 81 N 0.45 0.80 -0.24 0.28 5.75 -1.88 -2.83 115.11 117.44 1de2 h GLN 81 Ca 0.57 -0.30 -0.04 0.00 -0.15 0.00 0.00 58.65 58.72 1de2 h GLN 81 Cb 1.06 -0.05 -0.01 0.00 1.07 0.00 0.00 27.48 29.56 1de2 h GLN 81 CO -0.51 0.92 -0.02 1.25 -2.65 0.00 0.00 178.83 177.82 1de2 h LEU 82 N 0.62 0.44 -1.34 -2.39 5.85 0.44 -1.65 115.31 117.28 1de2 h LEU 82 Ca 0.11 -0.33 0.21 0.00 0.84 0.00 0.00 57.88 58.71 1de2 h LEU 82 Cb 0.62 -0.12 -0.08 0.00 0.37 0.00 0.00 40.66 41.45 1de2 h LEU 82 CO 0.04 0.67 0.62 -0.09 -0.34 0.00 0.00 178.44 179.34 1de2 h ARG 83 N 0.20 0.49 -0.18 1.25 2.43 0.24 1.26 114.38 120.08 1de2 h ARG 83 Ca 0.07 -0.03 -0.14 0.00 -0.81 0.00 0.00 59.98 59.07 1de2 h ARG 83 Cb 0.46 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.89 1de2 h ARG 83 CO 0.02 0.32 -0.48 0.93 -1.51 0.00 0.00 179.97 179.25 1de2 h GLU 84 N 0.50 0.46 -0.04 0.20 5.08 -1.21 1.00 114.58 120.58 1de2 h GLU 84 Ca 0.53 -0.26 -0.07 0.00 -1.00 0.00 0.00 59.36 58.56 1de2 h GLU 84 Cb 1.18 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.43 1de2 h GLU 84 CO -0.26 0.84 -0.31 -0.92 -1.00 0.00 0.00 179.01 177.36 1de2 h TYR 85 N 0.37 0.07 0.00 4.33 5.03 0.23 -3.33 116.97 123.67 1de2 h TYR 85 Ca 0.02 -0.01 0.00 0.00 2.58 0.00 0.00 58.73 61.32 1de2 h TYR 85 Cb 0.98 -0.02 0.00 0.00 1.55 0.00 0.00 36.73 39.24 1de2 h TYR 85 CO 0.03 0.37 -0.18 1.19 -1.32 0.00 0.00 178.16 178.26 1de2 n PHE 86 N -4.15 0.29 0.00 -3.82 3.72 0.10 -5.09 117.46 108.51 1de2 n PHE 86 Ca -0.02 0.12 0.00 0.00 -0.05 0.00 0.00 57.45 57.51 1de2 n PHE 86 Cb 0.37 -0.40 0.00 0.00 -0.94 0.00 0.00 39.48 38.51 1de2 n PHE 86 CO 0.00 0.00 0.00 0.36 -0.05 0.00 0.00 176.76 177.07