#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1de2 s PHE 2 N 0.00 1.71 -0.12 1.12 0.08 -0.79 -4.00 117.98 115.98 1de2 s PHE 2 Ca 0.00 1.72 -0.02 0.00 0.12 0.00 0.00 56.93 58.76 1de2 s PHE 2 Cb 0.00 -3.44 0.04 0.00 -0.57 0.00 0.00 43.02 39.05 1de2 s PHE 2 CO 0.00 -2.87 0.00 0.15 -0.10 0.00 0.00 175.22 172.40 1de2 s LYS 3 N -4.32 0.78 -0.21 0.44 3.01 -0.71 -0.88 119.74 117.85 1de2 s LYS 3 Ca 0.71 -0.15 -0.07 0.00 -1.01 0.00 0.00 55.97 55.45 1de2 s LYS 3 Cb -0.27 -1.49 -0.03 0.00 -1.01 0.00 0.00 37.83 35.03 1de2 s LYS 3 CO 0.53 -0.42 0.04 0.08 0.51 0.00 0.00 175.35 176.10 1de2 s VAL 4 N 1.88 4.39 -0.54 3.17 1.01 -1.00 0.78 120.40 130.09 1de2 s VAL 4 Ca 0.03 -0.16 -0.14 0.00 0.00 0.00 0.00 61.98 61.70 1de2 s VAL 4 Cb -0.14 -3.00 0.13 0.00 0.00 0.00 0.00 36.38 33.37 1de2 s VAL 4 CO -0.07 0.41 0.47 -0.31 0.00 0.00 0.00 175.10 175.61 1de2 s TYR 5 N 0.91 3.32 0.00 5.22 1.51 0.41 -1.10 117.35 127.62 1de2 s TYR 5 Ca 0.03 -1.49 0.00 0.00 -1.01 0.00 0.00 57.07 54.60 1de2 s TYR 5 Cb -0.14 -3.72 0.00 0.00 -0.11 0.00 0.00 41.96 38.00 1de2 s TYR 5 CO 0.02 -1.01 0.00 0.41 -1.11 0.00 0.00 175.55 173.86 1de2 n GLY 6 N 5.08 3.35 3.31 0.71 0.00 -1.07 0.11 105.19 116.69 1de2 n GLY 6 Ca -0.11 -0.09 -0.31 0.00 0.00 0.00 0.00 46.02 45.51 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 0.28 2.32 -0.46 1.61 1.51 -1.26 -2.32 117.35 119.03 1de2 s TYR 7 Ca 0.00 -0.44 0.08 0.00 -1.01 0.00 0.00 57.07 55.70 1de2 s TYR 7 Cb 0.00 -1.50 0.51 0.00 -0.11 0.00 0.00 41.96 40.87 1de2 s TYR 7 CO 0.00 -0.04 1.38 -3.47 -1.11 0.00 0.00 175.55 172.31 1de2 n ASP 8 N 2.45 3.97 0.00 2.29 2.03 -1.26 -4.86 116.55 121.15 1de2 n ASP 8 Ca -0.16 -2.71 0.00 0.00 0.52 0.00 0.00 54.79 52.44 1de2 n ASP 8 Cb 0.51 -0.65 0.00 0.00 -0.72 0.00 0.00 41.12 40.26 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 0.19 -2.94 0.04 1.67 7.64 -1.01 -4.81 113.62 114.39 1de2 n SER 9 Ca 0.23 0.00 -0.21 0.00 1.01 0.00 0.00 58.87 59.90 1de2 n SER 9 Cb 0.96 -2.27 -0.14 0.00 -1.01 0.00 0.00 64.21 61.74 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 0.47 0.00 6.43 -1.24 -1.96 -3.40 115.58 115.88 1de2 h ASN 10 Ca 0.00 -0.92 0.00 0.00 0.71 0.00 0.00 56.30 56.09 1de2 h ASN 10 Cb 0.41 -0.15 0.00 0.00 0.73 0.00 0.00 38.32 39.31 1de2 h ASN 10 CO 0.00 1.48 0.00 -0.38 -1.29 0.00 0.00 177.43 177.24 1de2 n ILE 11 N -4.04 0.11 -3.66 2.57 2.08 -1.26 -5.04 119.36 110.13 1de2 n ILE 11 Ca -0.18 -0.43 -0.09 0.00 0.56 0.00 0.00 62.75 62.61 1de2 n ILE 11 Cb 0.87 1.15 -0.08 0.00 -0.75 0.00 0.00 39.64 40.83 1de2 n ILE 11 CO 0.00 0.00 0.00 -2.28 0.56 0.00 0.00 176.55 174.83 1de2 s HIS 12 N -0.11 -0.88 0.59 1.39 2.46 -1.26 -4.79 115.29 112.69 1de2 s HIS 12 Ca 0.00 1.82 -0.11 0.00 0.47 0.00 0.00 55.06 57.24 1de2 s HIS 12 Cb 0.00 0.48 -0.04 0.00 -0.13 0.00 0.00 32.58 32.88 1de2 s HIS 12 CO 0.00 -0.45 0.99 -1.59 -2.47 0.00 0.00 174.74 171.22 1de2 s LYS 13 N 1.41 3.62 0.00 2.88 -2.85 -1.26 -2.39 119.74 121.14 1de2 s LYS 13 Ca -0.09 0.69 0.00 0.00 -1.00 0.00 0.00 55.97 55.57 1de2 s LYS 13 Cb -0.06 -2.12 0.00 0.00 -2.06 0.00 0.00 37.83 33.59 1de2 s LYS 13 CO -0.15 -0.50 0.00 0.00 0.10 0.00 0.00 175.35 174.80 1de2 h VAL 15 N 0.00 1.09 -0.40 0.00 -1.51 -2.00 -3.33 116.25 110.10 1de2 h VAL 15 Ca 0.00 -2.61 0.12 0.00 -1.23 0.00 0.00 66.70 62.98 1de2 h VAL 15 Cb 0.00 2.88 -0.02 0.00 -2.13 0.00 0.00 31.29 32.02 1de2 h VAL 15 CO 0.00 0.84 0.32 1.88 -1.23 0.00 0.00 177.57 179.38 1de2 h TYR 16 N 0.12 0.00 0.35 5.19 0.05 -1.98 -1.90 116.97 118.81 1de2 h TYR 16 Ca -0.30 0.00 -0.02 0.00 0.05 0.00 0.00 58.73 58.46 1de2 h TYR 16 Cb 2.13 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.87 1de2 h TYR 16 CO 0.11 0.00 -0.17 0.00 -1.05 0.00 0.00 178.16 177.05 1de2 h ASP 18 N -0.58 0.37 0.43 0.00 5.19 -1.51 0.19 116.42 120.51 1de2 h ASP 18 Ca -0.05 0.03 -0.02 0.00 -0.62 0.00 0.00 57.03 56.37 1de2 h ASP 18 Cb 0.43 -0.04 0.00 0.00 0.18 0.00 0.00 39.33 39.90 1de2 h ASP 18 CO 0.08 0.17 -0.20 0.78 -3.12 0.00 0.00 179.24 176.95 1de2 h ASN 19 N 0.38 -0.48 -0.72 6.45 -0.26 -1.31 -2.95 115.58 116.68 1de2 h ASN 19 Ca 0.41 0.02 0.18 0.00 -0.56 0.00 0.00 56.30 56.34 1de2 h ASN 19 Cb 1.02 0.13 -0.04 0.00 -1.06 0.00 0.00 38.32 38.37 1de2 h ASN 19 CO -0.13 -0.13 0.50 0.00 -1.06 0.00 0.00 177.43 176.61 1de2 h ALA 20 N -1.30 2.41 0.59 -0.83 0.00 -0.93 -0.68 119.26 118.53 1de2 h ALA 20 Ca -0.06 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 1de2 h ALA 20 Cb 0.44 0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.24 1de2 h ALA 20 CO 0.10 -0.62 -0.28 -0.22 0.00 0.00 0.00 179.25 178.22 1de2 h LYS 21 N 0.18 -0.77 0.00 0.00 3.64 -0.99 -2.49 116.57 116.14 1de2 h LYS 21 Ca 0.35 0.05 -0.03 0.00 -1.27 0.00 0.00 60.65 59.75 1de2 h LYS 21 Cb 1.12 0.17 -0.00 0.00 -0.41 0.00 0.00 32.23 33.11 1de2 h LYS 21 CO -0.06 -0.50 -0.16 -0.09 -2.27 0.00 0.00 179.45 176.37 1de2 h ARG 22 N -0.83 0.00 0.52 1.90 2.43 -1.17 -2.76 114.38 114.48 1de2 h ARG 22 Ca -0.08 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.07 1de2 h ARG 22 Cb 0.62 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.16 1de2 h ARG 22 CO 0.13 0.16 -0.38 1.25 -1.51 0.00 0.00 179.97 179.63 1de2 h LEU 23 N 0.00 -0.99 -0.82 3.80 6.46 -0.73 0.27 115.31 123.30 1de2 h LEU 23 Ca -0.00 0.07 0.01 0.00 -0.12 0.00 0.00 57.88 57.84 1de2 h LEU 23 Cb 0.36 0.31 -0.04 0.00 -0.73 0.00 0.00 40.66 40.56 1de2 h LEU 23 CO 0.02 -0.57 0.54 -0.07 -0.62 0.00 0.00 178.44 177.75 1de2 h LEU 24 N -0.88 0.93 -1.28 2.25 3.38 -1.32 0.22 115.31 118.62 1de2 h LEU 24 Ca -0.06 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.89 1de2 h LEU 24 Cb 0.74 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 41.22 1de2 h LEU 24 CO 0.02 0.67 0.46 0.74 0.09 0.00 0.00 178.44 180.42 1de2 h THR 25 N 1.10 1.19 0.00 0.22 2.02 -1.20 -0.99 112.91 115.25 1de2 h THR 25 Ca 0.30 -0.36 -0.10 0.00 0.77 0.00 0.00 66.41 67.02 1de2 h THR 25 Cb -0.11 0.15 -0.01 0.00 -1.74 0.00 0.00 68.15 66.43 1de2 h THR 25 CO -0.07 0.19 -0.47 0.58 0.37 0.00 0.00 175.52 176.11 1de2 h VAL 26 N 0.97 0.88 0.00 3.16 2.07 0.59 -3.09 116.25 120.83 1de2 h VAL 26 Ca 0.26 -2.03 0.00 0.00 0.82 0.00 0.00 66.70 65.75 1de2 h VAL 26 Cb -0.09 2.28 0.00 0.00 -1.52 0.00 0.00 31.29 31.96 1de2 h VAL 26 CO -0.05 0.46 0.00 0.11 0.02 0.00 0.00 177.57 178.11 1de2 h LYS 27 N 0.00 0.00 -3.44 1.57 1.79 0.67 -3.47 116.57 113.69 1de2 h LYS 27 Ca -0.00 0.00 -0.19 0.00 -2.18 0.00 0.00 60.65 58.28 1de2 h LYS 27 Cb 1.25 0.00 0.07 0.00 -1.58 0.00 0.00 32.23 31.97 1de2 h LYS 27 CO 0.06 0.00 -0.34 1.63 -1.08 0.00 0.00 179.45 179.72 1de2 n LYS 28 N -2.42 -3.72 -4.53 3.15 4.76 -0.70 -5.05 118.16 109.67 1de2 n LYS 28 Ca 0.04 0.40 -0.22 0.00 -2.87 0.00 0.00 58.31 55.67 1de2 n LYS 28 Cb 0.40 -4.13 -0.14 0.00 -1.84 0.00 0.00 35.03 29.32 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 -5.41 1.12 0.19 1.97 -1.52 -1.12 -5.08 119.66 109.81 1de2 s GLN 29 Ca 0.22 -0.73 -0.30 0.00 -1.95 0.00 0.00 55.36 52.60 1de2 s GLN 29 Cb -0.10 -1.14 -0.08 0.00 -0.22 0.00 0.00 33.01 31.47 1de2 s GLN 29 CO 0.35 0.29 1.04 -1.25 -0.25 0.00 0.00 175.29 175.48 1de2 s PRO 30 N -0.90 4.67 0.24 2.91 0.04 -1.26 -4.60 135.00 136.10 1de2 s PRO 30 Ca 0.04 1.64 -0.10 0.00 0.04 0.00 0.00 61.00 62.62 1de2 s PRO 30 Cb -0.07 -3.28 -0.01 0.00 0.04 0.00 0.00 34.50 31.17 1de2 s PRO 30 CO 0.01 0.20 0.40 -0.59 0.04 0.00 0.00 177.00 177.06 1de2 s PHE 31 N -0.50 0.56 -0.09 0.56 -0.12 -1.26 -1.89 117.98 115.24 1de2 s PHE 31 Ca 0.47 -0.89 -0.10 0.00 -0.05 0.00 0.00 56.93 56.36 1de2 s PHE 31 Cb -0.28 0.02 0.03 0.00 -0.63 0.00 0.00 43.02 42.15 1de2 s PHE 31 CO 0.34 -0.92 0.27 -1.21 -0.05 0.00 0.00 175.22 173.65 1de2 s GLU 32 N -4.01 0.36 0.49 1.99 2.02 -0.06 -4.83 118.70 114.65 1de2 s GLU 32 Ca 0.26 0.31 -0.03 0.00 0.02 0.00 0.00 54.97 55.53 1de2 s GLU 32 Cb 0.01 0.17 -0.01 0.00 0.10 0.00 0.00 34.13 34.40 1de2 s GLU 32 CO 0.10 -0.05 0.76 0.12 0.02 0.00 0.00 175.26 176.20 1de2 s PHE 33 N -0.04 3.35 -0.12 1.61 5.36 -1.26 -2.37 117.98 124.51 1de2 s PHE 33 Ca -0.02 0.52 -0.04 0.00 -0.96 0.00 0.00 56.93 56.43 1de2 s PHE 33 Cb -0.02 -2.39 0.06 0.00 -0.34 0.00 0.00 43.02 40.33 1de2 s PHE 33 CO 0.01 -0.42 0.24 0.42 -1.46 0.00 0.00 175.22 174.01 1de2 s ILE 34 N -2.71 -0.38 -0.12 3.12 1.01 -0.26 -4.84 121.20 117.02 1de2 s ILE 34 Ca 0.49 0.29 -0.28 0.00 0.00 0.00 0.00 60.65 61.15 1de2 s ILE 34 Cb -0.10 -0.42 -0.02 0.00 0.01 0.00 0.00 42.46 41.94 1de2 s ILE 34 CO 0.42 0.12 0.92 0.21 0.00 0.00 0.00 174.94 176.60 1de2 s ASN 35 N 2.39 7.12 -0.01 3.58 2.47 -1.26 -2.59 114.94 126.65 1de2 s ASN 35 Ca 0.02 1.38 0.21 0.00 0.42 0.00 0.00 52.86 54.89 1de2 s ASN 35 Cb -0.12 -2.51 -0.26 0.00 -1.45 0.00 0.00 41.25 36.91 1de2 s ASN 35 CO -0.08 -0.40 0.77 2.30 -3.72 0.00 0.00 177.10 175.97 1de2 n ILE 36 N 4.54 0.00 -3.78 -5.21 -5.35 -0.98 -4.67 119.36 103.91 1de2 n ILE 36 Ca 0.06 -0.15 -0.28 0.00 -0.27 0.00 0.00 62.75 62.12 1de2 n ILE 36 Cb 0.49 0.71 -0.11 0.00 -1.74 0.00 0.00 39.64 38.99 1de2 n ILE 36 CO 0.00 0.00 0.00 0.80 -1.76 0.00 0.00 176.55 175.59 1de2 n MET 37 N -1.71 1.66 0.29 6.28 1.56 -1.26 0.19 117.12 124.12 1de2 n MET 37 Ca 0.02 -4.31 0.17 0.00 -0.27 0.00 0.00 57.70 53.30 1de2 n MET 37 Cb 0.39 -2.19 0.83 0.00 2.15 0.00 0.00 33.22 34.41 1de2 n MET 37 CO 0.00 0.00 0.00 -1.35 -0.73 0.00 0.00 175.97 173.89 1de2 h PRO 38 N 5.29 0.00 -3.78 2.12 0.11 -1.83 -3.42 132.00 130.49 1de2 h PRO 38 Ca 0.17 0.00 -0.27 0.00 0.11 0.00 0.00 66.00 66.01 1de2 h PRO 38 Cb 0.77 0.00 -0.30 0.00 0.11 0.00 0.00 31.00 31.58 1de2 h PRO 38 CO 0.68 0.06 -0.73 -2.00 -0.21 0.00 0.00 178.00 175.80 1de2 s GLU 39 N -4.00 0.08 0.00 1.05 2.12 -1.26 -5.00 118.70 111.69 1de2 s GLU 39 Ca -0.02 0.01 0.02 0.00 0.36 0.00 0.00 54.97 55.34 1de2 s GLU 39 Cb 0.12 -0.14 0.09 0.00 0.26 0.00 0.00 34.13 34.45 1de2 s GLU 39 CO 0.53 -0.02 1.03 1.17 -0.54 0.00 0.00 175.26 177.42 1de2 n LYS 40 N 3.34 0.01 0.01 4.30 4.81 -1.26 -2.49 118.16 126.87 1de2 n LYS 40 Ca -0.16 0.43 -0.08 0.00 -0.87 0.00 0.00 58.31 57.63 1de2 n LYS 40 Cb 0.57 -1.50 -0.06 0.00 0.02 0.00 0.00 35.03 34.06 1de2 n LYS 40 CO 0.00 0.00 0.00 0.78 1.17 0.00 0.00 177.40 179.35 1de2 h GLY 41 N 0.34 -0.15 -5.30 3.14 0.00 -1.96 -3.47 103.07 95.67 1de2 h GLY 41 Ca 0.00 0.06 -0.13 0.00 0.00 0.00 0.00 47.33 47.26 1de2 h GLY 41 CO 0.00 -0.05 -0.28 0.14 0.00 0.00 0.00 176.54 176.35 1de2 s VAL 42 N -2.62 -0.00 1.20 4.60 1.01 -1.04 -5.16 120.40 118.39 1de2 s VAL 42 Ca -0.10 0.01 -0.14 0.00 0.00 0.00 0.00 61.98 61.75 1de2 s VAL 42 Cb -0.00 -0.53 0.28 0.00 0.00 0.00 0.00 36.38 36.13 1de2 s VAL 42 CO 0.36 0.00 0.85 0.49 0.00 0.00 0.00 175.10 176.80 1de2 n PHE 43 N 2.98 -1.55 -2.98 5.22 3.72 -1.26 -4.20 117.46 119.39 1de2 n PHE 43 Ca -0.14 -0.18 -0.43 0.00 -0.05 0.00 0.00 57.45 56.65 1de2 n PHE 43 Cb 0.57 -1.64 -0.05 0.00 -0.94 0.00 0.00 39.48 37.42 1de2 n PHE 43 CO 0.00 0.00 0.00 0.16 -0.05 0.00 0.00 176.76 176.87 1de2 s ASP 44 N -2.32 6.39 0.49 4.37 1.47 0.49 -4.88 116.67 122.69 1de2 s ASP 44 Ca 0.67 -0.19 0.17 0.00 1.18 0.00 0.00 52.55 54.38 1de2 s ASP 44 Cb -0.23 -2.38 1.21 0.00 -0.34 0.00 0.00 42.92 41.18 1de2 s ASP 44 CO 0.66 -0.93 2.07 0.44 0.68 0.00 0.00 175.17 178.09 1de2 h ASP 45 N 9.00 0.12 -0.85 2.11 3.32 -1.91 -2.08 116.42 126.13 1de2 h ASP 45 Ca -0.25 -0.00 0.13 0.00 0.02 0.00 0.00 57.03 56.93 1de2 h ASP 45 Cb 1.09 -0.03 -0.09 0.00 0.22 0.00 0.00 39.33 40.52 1de2 h ASP 45 CO 0.96 0.08 0.46 1.05 -1.72 0.00 0.00 179.24 180.07 1de2 h GLU 46 N 0.14 0.66 0.23 3.56 4.11 -1.97 0.51 114.58 121.82 1de2 h GLU 46 Ca 0.13 -0.04 -0.33 0.00 0.07 0.00 0.00 59.36 59.19 1de2 h GLU 46 Cb 0.34 -0.15 0.03 0.00 0.50 0.00 0.00 28.75 29.47 1de2 h GLU 46 CO -0.02 0.44 -1.48 0.87 0.07 0.00 0.00 179.01 178.89 1de2 h LYS 47 N 0.68 0.49 -0.52 1.06 1.79 -1.78 -2.97 116.57 115.32 1de2 h LYS 47 Ca 0.45 -0.83 0.06 0.00 -2.18 0.00 0.00 60.65 58.15 1de2 h LYS 47 Cb 0.58 0.31 -0.05 0.00 -1.58 0.00 0.00 32.23 31.49 1de2 h LYS 47 CO -0.33 1.40 0.23 0.82 -1.08 0.00 0.00 179.45 180.48 1de2 h ILE 48 N 0.13 0.88 0.47 1.86 1.08 -0.75 0.63 117.51 121.81 1de2 h ILE 48 Ca -0.25 -0.15 -0.02 0.00 -0.39 0.00 0.00 64.86 64.05 1de2 h ILE 48 Cb 2.14 0.41 0.00 0.00 -3.07 0.00 0.00 36.82 36.30 1de2 h ILE 48 CO 0.26 0.08 -0.23 0.00 -0.69 0.00 0.00 178.15 177.57 1de2 h ALA 49 N 1.32 -0.63 0.00 1.87 0.00 -0.11 -2.87 119.26 118.84 1de2 h ALA 49 Ca 0.25 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 1de2 h ALA 49 Cb 0.22 0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.26 1de2 h ALA 49 CO -0.21 -0.71 -0.03 1.05 0.00 0.00 0.00 179.25 179.34 1de2 h GLU 50 N -0.92 0.00 0.50 0.00 4.11 -1.38 -2.67 114.58 114.22 1de2 h GLU 50 Ca -0.06 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.35 1de2 h GLU 50 Cb 0.59 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.83 1de2 h GLU 50 CO 0.11 0.03 -0.33 1.25 0.07 0.00 0.00 179.01 180.14 1de2 h LEU 51 N 0.00 -0.84 -0.68 3.06 5.85 0.41 0.64 115.31 123.74 1de2 h LEU 51 Ca -0.00 0.05 0.12 0.00 0.84 0.00 0.00 57.88 58.89 1de2 h LEU 51 Cb 0.06 0.25 -0.09 0.00 0.37 0.00 0.00 40.66 41.26 1de2 h LEU 51 CO 0.00 -0.51 0.25 -0.07 -0.34 0.00 0.00 178.44 177.77 1de2 h LEU 52 N -0.80 0.21 -1.08 2.25 3.38 -1.26 0.99 115.31 119.01 1de2 h LEU 52 Ca -0.06 0.10 -0.00 0.00 0.09 0.00 0.00 57.88 58.01 1de2 h LEU 52 Cb 0.66 0.09 -0.04 0.00 0.09 0.00 0.00 40.66 41.46 1de2 h LEU 52 CO 0.04 0.10 0.52 0.74 0.09 0.00 0.00 178.44 179.93 1de2 h THR 53 N 0.40 1.23 -0.52 0.22 2.02 -1.32 -1.96 112.91 112.99 1de2 h THR 53 Ca 0.36 -0.50 -0.08 0.00 0.77 0.00 0.00 66.41 66.96 1de2 h THR 53 Cb 0.51 0.03 -0.02 0.00 -1.74 0.00 0.00 68.15 66.93 1de2 h THR 53 CO -0.37 0.24 0.02 0.11 0.37 0.00 0.00 175.52 175.89 1de2 h LYS 54 N 1.17 0.87 0.00 6.66 1.79 0.15 -2.02 116.57 125.18 1de2 h LYS 54 Ca 0.31 -0.24 -0.00 0.00 -2.18 0.00 0.00 60.65 58.54 1de2 h LYS 54 Cb -0.06 -0.10 -0.00 0.00 -1.58 0.00 0.00 32.23 30.49 1de2 h LYS 54 CO -0.06 0.85 -0.00 -0.07 -1.08 0.00 0.00 179.45 179.10 1de2 h LEU 55 N 0.81 0.00 0.00 2.94 3.38 -0.25 -3.45 115.31 118.73 1de2 h LEU 55 Ca 0.16 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.13 1de2 h LEU 55 Cb 0.46 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.21 1de2 h LEU 55 CO 0.02 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.16 1de2 n GLY 56 N -1.08 1.52 1.68 0.83 0.00 -0.76 -3.72 105.19 103.65 1de2 n GLY 56 Ca -0.03 -0.34 0.03 0.00 0.00 0.00 0.00 46.02 45.68 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 0.31 -4.04 1.61 1.85 -1.26 -4.85 116.66 110.28 1de2 n ARG 57 Ca 0.00 -2.27 -0.32 0.00 -1.00 0.00 0.00 57.85 54.27 1de2 n ARG 57 Cb 0.00 -0.29 -0.15 0.00 -1.05 0.00 0.00 32.46 30.97 1de2 n ARG 57 CO 0.00 0.00 0.00 0.34 -0.01 0.00 0.00 177.63 177.96 1de2 s ASP 58 N -2.31 4.21 0.29 2.89 -1.08 -1.24 -5.11 116.67 114.32 1de2 s ASP 58 Ca 0.33 -1.30 -0.28 0.00 -0.52 0.00 0.00 52.55 50.79 1de2 s ASP 58 Cb 0.38 -1.44 -0.09 0.00 -1.46 0.00 0.00 42.92 40.30 1de2 s ASP 58 CO -0.15 -0.19 0.99 0.28 0.52 0.00 0.00 175.17 176.62 1de2 s THR 59 N 1.19 3.95 -0.70 1.71 -1.32 -1.26 -4.81 115.64 114.41 1de2 s THR 59 Ca -0.07 1.79 -0.26 0.00 -1.21 0.00 0.00 61.69 61.94 1de2 s THR 59 Cb -0.19 -4.08 -0.02 0.00 -1.51 0.00 0.00 72.50 66.70 1de2 s THR 59 CO -0.06 0.30 1.83 0.00 -2.21 0.00 0.00 174.62 174.48 1de2 s GLN 60 N -1.66 2.67 -1.30 7.08 -2.07 -1.26 -4.89 119.66 118.24 1de2 s GLN 60 Ca 0.47 0.31 -0.18 0.00 -1.82 0.00 0.00 55.36 54.14 1de2 s GLN 60 Cb -0.24 -4.54 0.08 0.00 -1.09 0.00 0.00 33.01 27.21 1de2 s GLN 60 CO 0.31 -2.82 1.72 1.51 -1.32 0.00 0.00 175.29 174.69 1de2 n ILE 61 N 7.29 3.97 -1.83 3.63 0.13 -1.26 -4.10 119.36 127.19 1de2 n ILE 61 Ca 0.24 -4.14 -0.16 0.00 -1.10 0.00 0.00 62.75 57.58 1de2 n ILE 61 Cb 0.51 -2.37 -0.04 0.00 -0.84 0.00 0.00 39.64 36.90 1de2 n ILE 61 CO 0.00 0.00 0.00 0.61 2.80 0.00 0.00 176.55 179.96 1de2 n GLY 62 N 5.25 0.78 3.49 4.50 0.00 -1.26 -4.95 105.19 112.99 1de2 n GLY 62 Ca 0.48 -0.24 -0.32 0.00 0.00 0.00 0.00 46.02 45.94 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 -2.03 0.77 -4.45 0.99 7.99 -1.26 -5.03 117.00 113.98 1de2 n LEU 63 Ca -0.17 0.36 -0.22 0.00 -0.01 0.00 0.00 56.01 55.97 1de2 n LEU 63 Cb 0.58 -1.28 -0.10 0.00 -0.11 0.00 0.00 43.42 42.50 1de2 n LEU 63 CO 0.23 -3.23 -0.35 -0.89 -1.51 0.00 0.00 177.39 171.65 1de2 s THR 64 N -2.46 1.62 0.20 -5.08 2.01 -1.26 -5.13 115.64 105.55 1de2 s THR 64 Ca 0.60 -2.10 0.01 0.00 0.31 0.00 0.00 61.69 60.50 1de2 s THR 64 Cb -0.22 -2.53 -0.04 0.00 0.01 0.00 0.00 72.50 69.72 1de2 s THR 64 CO 0.65 -0.24 0.37 -0.04 -0.69 0.00 0.00 174.62 174.67 1de2 s MET 65 N -3.74 3.48 0.31 4.92 1.00 -1.26 -4.27 119.30 119.73 1de2 s MET 65 Ca 0.31 -0.46 -0.14 0.00 0.00 0.00 0.00 55.69 55.39 1de2 s MET 65 Cb 0.05 -2.87 -0.09 0.00 0.00 0.00 0.00 34.83 31.92 1de2 s MET 65 CO 0.13 0.42 0.71 -1.25 0.00 0.00 0.00 175.02 175.03 1de2 s PRO 66 N -3.45 3.99 -0.32 2.03 0.05 -1.26 -5.04 135.00 131.00 1de2 s PRO 66 Ca 0.37 0.63 -0.07 0.00 0.05 0.00 0.00 61.00 61.98 1de2 s PRO 66 Cb -0.11 -2.47 0.02 0.00 0.05 0.00 0.00 34.50 32.00 1de2 s PRO 66 CO 0.29 0.18 0.10 -0.65 0.05 0.00 0.00 177.00 176.97 1de2 s GLN 67 N -2.93 2.88 0.50 4.56 -0.21 0.30 -3.64 119.66 121.12 1de2 s GLN 67 Ca 0.53 -1.00 -0.03 0.00 0.02 0.00 0.00 55.36 54.88 1de2 s GLN 67 Cb -0.10 -3.42 -0.01 0.00 1.00 0.00 0.00 33.01 30.47 1de2 s GLN 67 CO 0.18 -0.55 0.77 0.08 -2.12 0.00 0.00 175.29 173.65 1de2 s VAL 68 N 1.46 4.22 -0.03 1.09 1.01 0.25 0.15 120.40 128.56 1de2 s VAL 68 Ca 0.01 -0.15 -0.02 0.00 0.00 0.00 0.00 61.98 61.82 1de2 s VAL 68 Cb -0.18 -3.60 0.01 0.00 0.00 0.00 0.00 36.38 32.61 1de2 s VAL 68 CO 0.03 -0.53 0.06 -0.36 0.00 0.00 0.00 175.10 174.30 1de2 s PHE 69 N -2.73 -0.06 0.67 5.22 0.08 0.23 -2.93 117.98 118.46 1de2 s PHE 69 Ca 0.49 0.19 -0.17 0.00 0.12 0.00 0.00 56.93 57.56 1de2 s PHE 69 Cb -0.10 -0.03 -0.05 0.00 -0.57 0.00 0.00 43.02 42.26 1de2 s PHE 69 CO 0.42 -0.06 0.57 0.00 -0.10 0.00 0.00 175.22 176.06 1de2 n ALA 70 N 3.36 -1.22 0.20 5.36 0.00 0.24 -1.74 120.51 126.70 1de2 n ALA 70 Ca -0.16 -0.15 0.18 0.00 0.00 0.00 0.00 53.44 53.31 1de2 n ALA 70 Cb 0.57 -1.87 0.82 0.00 0.00 0.00 0.00 19.45 18.97 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 -0.11 0.00 0.00 0.00 0.11 -1.91 -0.12 132.00 129.98 1de2 h PRO 71 Ca -0.46 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 65.57 1de2 h PRO 71 Cb 1.37 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.46 1de2 h PRO 71 CO 0.45 0.00 -2.01 -0.40 -0.21 0.00 0.00 178.00 175.83 1de2 n ASP 72 N -3.56 0.41 0.00 -2.05 5.68 -1.26 -3.37 116.55 112.40 1de2 n ASP 72 Ca 0.03 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.32 1de2 n ASP 72 Cb 0.43 1.68 0.00 0.00 -1.14 0.00 0.00 41.12 42.09 1de2 n ASP 72 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1de2 n GLY 73 N 1.48 1.28 3.60 6.12 0.00 -0.06 -5.13 105.19 112.48 1de2 n GLY 73 Ca -0.10 -0.54 -0.03 0.00 0.00 0.00 0.00 46.02 45.35 1de2 n GLY 73 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1de2 s SER 74 N 0.00 -0.72 -0.04 1.61 0.01 -1.26 -4.80 113.70 108.50 1de2 s SER 74 Ca 0.00 1.09 -0.30 0.00 1.31 0.00 0.00 55.95 58.06 1de2 s SER 74 Cb 0.00 1.49 -0.07 0.00 0.21 0.00 0.00 66.02 67.65 1de2 s SER 74 CO 0.00 -0.17 1.97 -2.28 0.41 0.00 0.00 173.24 173.18 1de2 s HIS 75 N 1.85 1.36 -0.08 2.43 2.46 -1.26 0.83 115.29 122.87 1de2 s HIS 75 Ca -0.08 -0.15 0.09 0.00 0.47 0.00 0.00 55.06 55.39 1de2 s HIS 75 Cb -0.06 -4.14 -0.13 0.00 -0.13 0.00 0.00 32.58 28.12 1de2 s HIS 75 CO -0.17 -5.00 0.08 -0.89 -2.47 0.00 0.00 174.74 166.29 1de2 n ILE 76 N 6.04 0.54 0.00 0.89 -0.00 -1.15 -4.91 119.36 120.77 1de2 n ILE 76 Ca 0.22 -0.39 0.00 0.00 -0.00 0.00 0.00 62.75 62.58 1de2 n ILE 76 Cb 0.42 -0.53 0.00 0.00 -0.00 0.00 0.00 39.64 39.54 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 2.28 0.21 0.00 7.39 0.00 -1.24 -3.95 105.19 109.88 1de2 n GLY 77 Ca -0.13 -2.15 0.00 0.00 0.00 0.00 0.00 46.02 43.74 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 1.07 0.05 -0.02 0.00 -1.24 0.88 105.19 105.93 1de2 n GLY 78 Ca 0.00 -0.72 -0.02 0.00 0.00 0.00 0.00 46.02 45.28 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 -0.10 0.13 1.61 3.57 -1.91 -2.46 116.94 117.78 1de2 h PHE 79 Ca 0.00 -0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.50 1de2 h PHE 79 Cb 0.00 0.03 -0.02 0.00 2.79 0.00 0.00 35.95 38.76 1de2 h PHE 79 CO 0.00 -0.06 -0.15 0.22 -2.23 0.00 0.00 178.31 176.08 1de2 h ASP 80 N -0.32 -0.41 -0.90 0.41 3.58 -1.98 0.99 116.42 117.79 1de2 h ASP 80 Ca -0.01 0.04 0.17 0.00 0.42 0.00 0.00 57.03 57.66 1de2 h ASP 80 Cb 0.09 0.15 -0.10 0.00 1.72 0.00 0.00 39.33 41.18 1de2 h ASP 80 CO 0.02 -0.23 0.48 1.56 -2.88 0.00 0.00 179.24 178.19 1de2 h GLN 81 N -0.33 0.60 0.00 0.28 1.08 -1.87 0.14 115.11 115.01 1de2 h GLN 81 Ca 0.01 -0.04 -0.18 0.00 -1.45 0.00 0.00 58.65 57.00 1de2 h GLN 81 Cb 0.32 -0.13 -0.03 0.00 -0.05 0.00 0.00 27.48 27.59 1de2 h GLN 81 CO -0.06 0.40 -0.85 1.25 -0.95 0.00 0.00 178.83 178.62 1de2 h LEU 82 N 0.62 0.00 -1.93 1.46 6.46 -0.90 -3.17 115.31 117.85 1de2 h LEU 82 Ca 0.52 0.00 0.21 0.00 -0.12 0.00 0.00 57.88 58.48 1de2 h LEU 82 Cb 0.81 0.00 -0.03 0.00 -0.73 0.00 0.00 40.66 40.71 1de2 h LEU 82 CO -0.40 0.85 0.52 -0.09 -0.62 0.00 0.00 178.44 178.70 1de2 h ARG 83 N 0.00 0.06 -0.02 1.25 2.43 0.39 1.49 114.38 119.97 1de2 h ARG 83 Ca -0.01 -0.00 -0.08 0.00 -0.81 0.00 0.00 59.98 59.07 1de2 h ARG 83 Cb 1.60 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 31.12 1de2 h ARG 83 CO 0.11 0.04 -0.38 1.49 -1.51 0.00 0.00 179.97 179.72 1de2 h GLU 84 N 0.06 0.04 -0.17 0.20 4.22 -1.45 1.49 114.58 118.96 1de2 h GLU 84 Ca 0.35 -0.02 -0.11 0.00 0.08 0.00 0.00 59.36 59.67 1de2 h GLU 84 Cb 1.33 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.56 1de2 h GLU 84 CO -0.03 0.42 -0.37 -0.92 -2.18 0.00 0.00 179.01 175.93 1de2 h TYR 85 N 0.03 0.42 0.00 0.92 5.03 0.19 -3.37 116.97 120.19 1de2 h TYR 85 Ca 0.00 -0.11 0.00 0.00 2.58 0.00 0.00 58.73 61.20 1de2 h TYR 85 Cb 0.69 -0.10 0.00 0.00 1.55 0.00 0.00 36.73 38.87 1de2 h TYR 85 CO 0.00 0.69 0.00 1.19 -1.32 0.00 0.00 178.16 178.72 1de2 n PHE 86 N -4.05 0.00 -0.61 -3.82 3.72 -0.76 -5.14 117.46 106.80 1de2 n PHE 86 Ca -0.01 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.39 1de2 n PHE 86 Cb 0.47 -0.10 0.00 0.00 -0.94 0.00 0.00 39.48 38.90 1de2 n PHE 86 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34