#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 3.44 -0.23 1.12 0.40 -1.08 -2.98 117.98 118.66 1de2 s PHE 2 Ca 0.00 1.68 -0.05 0.00 -0.60 0.00 0.00 56.93 57.96 1de2 s PHE 2 Cb 0.00 -2.91 -0.02 0.00 0.51 0.00 0.00 43.02 40.60 1de2 s PHE 2 CO 0.00 -0.06 0.01 0.15 0.70 0.00 0.00 175.22 176.02 1de2 s LYS 3 N -2.68 3.52 -0.19 0.44 3.01 0.18 0.56 119.74 124.58 1de2 s LYS 3 Ca 0.57 -0.55 -0.03 0.00 -1.01 0.00 0.00 55.97 54.95 1de2 s LYS 3 Cb -0.14 -3.15 -0.01 0.00 -1.01 0.00 0.00 37.83 33.52 1de2 s LYS 3 CO 0.19 -0.17 -0.07 0.08 0.51 0.00 0.00 175.35 175.89 1de2 s VAL 4 N 1.48 3.32 -0.55 3.17 1.01 -1.01 0.27 120.40 128.09 1de2 s VAL 4 Ca 0.06 -0.53 -0.16 0.00 0.00 0.00 0.00 61.98 61.35 1de2 s VAL 4 Cb -0.15 -2.47 0.13 0.00 0.00 0.00 0.00 36.38 33.90 1de2 s VAL 4 CO 0.00 0.46 0.51 -0.31 0.00 0.00 0.00 175.10 175.77 1de2 s TYR 5 N 1.05 3.27 0.00 5.22 2.02 0.37 -1.43 117.35 127.85 1de2 s TYR 5 Ca 0.00 -1.32 0.00 0.00 -0.37 0.00 0.00 57.07 55.38 1de2 s TYR 5 Cb -0.15 -3.80 0.00 0.00 -0.40 0.00 0.00 41.96 37.61 1de2 s TYR 5 CO -0.01 -1.02 0.00 0.41 -1.57 0.00 0.00 175.55 173.36 1de2 n GLY 6 N 5.19 3.86 3.43 0.71 0.00 -0.86 -0.47 105.19 117.05 1de2 n GLY 6 Ca -0.13 -0.27 -0.23 0.00 0.00 0.00 0.00 46.02 45.39 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 0.02 2.14 -0.03 1.61 2.02 -1.26 -1.95 117.35 119.90 1de2 s TYR 7 Ca 0.00 -0.39 -0.01 0.00 -0.37 0.00 0.00 57.07 56.29 1de2 s TYR 7 Cb 0.00 -0.96 -0.00 0.00 -0.40 0.00 0.00 41.96 40.60 1de2 s TYR 7 CO 0.00 0.59 -0.02 -0.44 -1.57 0.00 0.00 175.55 174.11 1de2 h ASP 8 N 2.50 0.00 0.00 2.29 3.32 -1.94 -3.47 116.42 119.12 1de2 h ASP 8 Ca -0.40 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.65 1de2 h ASP 8 Cb 1.24 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.79 1de2 h ASP 8 CO 0.58 0.14 0.00 -1.20 -1.72 0.00 0.00 179.24 177.04 1de2 n SER 9 N -2.68 0.00 0.11 6.45 7.64 -1.14 -4.86 113.62 119.14 1de2 n SER 9 Ca -0.01 0.00 -0.01 0.00 1.01 0.00 0.00 58.87 59.86 1de2 n SER 9 Cb 0.04 0.00 0.02 0.00 -1.01 0.00 0.00 64.21 63.25 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 0.00 0.21 6.43 -1.24 -2.01 -3.32 115.58 115.66 1de2 h ASN 10 Ca 0.00 0.00 -0.35 0.00 0.71 0.00 0.00 56.30 56.66 1de2 h ASN 10 Cb 0.00 0.00 -0.03 0.00 0.73 0.00 0.00 38.32 39.02 1de2 h ASN 10 CO 0.00 0.71 -1.96 -0.38 -1.29 0.00 0.00 177.43 174.51 1de2 n ILE 11 N -3.37 1.71 -3.68 2.57 -0.00 -1.26 -4.97 119.36 110.36 1de2 n ILE 11 Ca 0.01 -0.70 -0.14 0.00 -0.00 0.00 0.00 62.75 61.92 1de2 n ILE 11 Cb 0.78 -1.49 -0.08 0.00 -0.00 0.00 0.00 39.64 38.84 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 -2.57 -0.56 0.35 1.39 2.46 -1.25 -4.75 115.29 110.37 1de2 s HIS 12 Ca -0.18 1.31 -0.23 0.00 0.47 0.00 0.00 55.06 56.42 1de2 s HIS 12 Cb 0.07 0.22 -0.10 0.00 -0.13 0.00 0.00 32.58 32.64 1de2 s HIS 12 CO 0.78 -0.33 0.92 0.21 -2.47 0.00 0.00 174.74 173.84 1de2 s LYS 13 N -0.03 4.42 0.00 2.88 2.20 -1.26 -2.87 119.74 125.08 1de2 s LYS 13 Ca -0.03 1.19 0.00 0.00 -0.36 0.00 0.00 55.97 56.78 1de2 s LYS 13 Cb -0.04 -2.60 0.00 0.00 -1.51 0.00 0.00 37.83 33.69 1de2 s LYS 13 CO 0.02 0.19 0.00 0.00 -0.36 0.00 0.00 175.35 175.20 1de2 h VAL 15 N 0.00 1.28 -0.47 0.00 -1.51 -1.97 -3.04 116.25 110.55 1de2 h VAL 15 Ca 0.00 -1.75 0.14 0.00 -1.23 0.00 0.00 66.70 63.85 1de2 h VAL 15 Cb 0.00 1.74 -0.02 0.00 -2.13 0.00 0.00 31.29 30.88 1de2 h VAL 15 CO 0.00 0.57 0.51 1.88 -1.23 0.00 0.00 177.57 179.30 1de2 h TYR 16 N 0.58 0.00 0.51 5.19 0.05 -1.98 -0.85 116.97 120.47 1de2 h TYR 16 Ca 0.00 0.00 -0.03 0.00 0.05 0.00 0.00 58.73 58.76 1de2 h TYR 16 Cb 1.17 0.00 0.01 0.00 1.01 0.00 0.00 36.73 38.92 1de2 h TYR 16 CO 0.08 0.00 -0.25 0.00 -1.05 0.00 0.00 178.16 176.94 1de2 h ASP 18 N -0.90 0.18 0.25 0.00 1.82 -1.49 -0.46 116.42 115.82 1de2 h ASP 18 Ca -0.07 0.00 -0.01 0.00 -0.39 0.00 0.00 57.03 56.56 1de2 h ASP 18 Cb 0.53 -0.04 0.00 0.00 0.68 0.00 0.00 39.33 40.50 1de2 h ASP 18 CO 0.12 0.12 -0.12 -1.13 -1.61 0.00 0.00 179.24 176.61 1de2 h ASN 19 N 0.21 -0.28 0.19 2.28 -0.73 -1.11 -2.63 115.58 113.51 1de2 h ASN 19 Ca 0.20 -0.15 -0.05 0.00 1.87 0.00 0.00 56.30 58.16 1de2 h ASN 19 Cb 0.50 0.07 -0.01 0.00 0.27 0.00 0.00 38.32 39.16 1de2 h ASN 19 CO -0.03 -0.01 -0.23 0.00 -0.37 0.00 0.00 177.43 176.79 1de2 h ALA 20 N 0.12 1.54 -0.54 1.57 0.00 -0.51 -2.15 119.26 119.29 1de2 h ALA 20 Ca -0.03 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.64 1de2 h ALA 20 Cb 0.41 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 1de2 h ALA 20 CO 0.06 0.34 0.29 -0.22 0.00 0.00 0.00 179.25 179.71 1de2 h LYS 21 N 0.07 0.74 0.00 0.00 3.64 -0.95 -1.38 116.57 118.69 1de2 h LYS 21 Ca 0.01 -0.07 -0.13 0.00 -1.27 0.00 0.00 60.65 59.18 1de2 h LYS 21 Cb 0.44 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 32.09 1de2 h LYS 21 CO 0.03 0.55 -0.64 -0.09 -2.27 0.00 0.00 179.45 177.03 1de2 h ARG 22 N 0.75 0.00 0.45 1.90 2.43 -1.03 -2.91 114.38 115.97 1de2 h ARG 22 Ca 0.19 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.35 1de2 h ARG 22 Cb 0.03 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.56 1de2 h ARG 22 CO -0.03 0.64 -0.34 1.25 -1.51 0.00 0.00 179.97 179.97 1de2 h LEU 23 N 0.00 -0.89 -0.34 3.80 6.46 -0.84 0.25 115.31 123.74 1de2 h LEU 23 Ca -0.01 0.07 -0.02 0.00 -0.12 0.00 0.00 57.88 57.80 1de2 h LEU 23 Cb 1.33 0.28 -0.02 0.00 -0.73 0.00 0.00 40.66 41.52 1de2 h LEU 23 CO 0.08 -0.51 0.14 -0.07 -0.62 0.00 0.00 178.44 177.47 1de2 h LEU 24 N -0.78 0.46 -1.46 2.25 3.38 -1.60 -0.86 115.31 116.71 1de2 h LEU 24 Ca -0.04 -0.16 0.10 0.00 0.09 0.00 0.00 57.88 57.87 1de2 h LEU 24 Cb 0.67 -0.12 -0.05 0.00 0.09 0.00 0.00 40.66 41.25 1de2 h LEU 24 CO 0.00 0.49 0.48 0.74 0.09 0.00 0.00 178.44 180.25 1de2 h THR 25 N 0.40 0.91 0.00 0.22 2.02 -1.33 0.79 112.91 115.93 1de2 h THR 25 Ca 0.11 -0.20 -0.16 0.00 0.77 0.00 0.00 66.41 66.93 1de2 h THR 25 Cb 0.17 0.27 -0.02 0.00 -1.74 0.00 0.00 68.15 66.82 1de2 h THR 25 CO -0.01 0.11 -0.76 0.58 0.37 0.00 0.00 175.52 175.81 1de2 h VAL 26 N 0.60 1.50 0.00 3.16 2.07 -0.00 -3.02 116.25 120.55 1de2 h VAL 26 Ca 0.34 -2.65 0.00 0.00 0.82 0.00 0.00 66.70 65.21 1de2 h VAL 26 Cb 0.52 2.45 0.00 0.00 -1.52 0.00 0.00 31.29 32.74 1de2 h VAL 26 CO -0.12 0.75 0.00 0.29 0.02 0.00 0.00 177.57 178.51 1de2 n LYS 27 N -3.57 0.15 -2.63 1.57 4.76 0.18 -4.91 118.16 113.72 1de2 n LYS 27 Ca -0.00 0.22 -0.05 0.00 -2.87 0.00 0.00 58.31 55.61 1de2 n LYS 27 Cb 0.75 -1.70 0.01 0.00 -1.84 0.00 0.00 35.03 32.25 1de2 n LYS 27 CO 0.00 0.00 0.00 1.17 -1.37 0.00 0.00 177.40 177.20 1de2 n LYS 28 N -1.96 -1.38 -4.61 1.97 3.00 -0.66 -5.06 118.16 109.46 1de2 n LYS 28 Ca 0.05 0.16 -0.22 0.00 -0.00 0.00 0.00 58.31 58.30 1de2 n LYS 28 Cb 0.32 -3.25 -0.15 0.00 0.00 0.00 0.00 35.03 31.95 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 -5.12 1.09 0.67 1.64 -1.52 -1.07 -5.06 119.66 110.30 1de2 s GLN 29 Ca 0.10 -0.47 -0.11 0.00 -1.95 0.00 0.00 55.36 52.92 1de2 s GLN 29 Cb -0.04 -1.05 -0.01 0.00 -0.22 0.00 0.00 33.01 31.69 1de2 s GLN 29 CO 0.12 0.28 1.06 -1.25 -0.25 0.00 0.00 175.29 175.25 1de2 s PRO 30 N -0.29 3.13 0.26 2.91 0.04 -1.26 -4.30 135.00 135.50 1de2 s PRO 30 Ca 0.05 0.78 -0.21 0.00 0.04 0.00 0.00 61.00 61.65 1de2 s PRO 30 Cb -0.05 -2.03 0.03 0.00 0.04 0.00 0.00 34.50 32.49 1de2 s PRO 30 CO -0.00 -0.91 0.78 -0.59 0.04 0.00 0.00 177.00 176.31 1de2 s PHE 31 N -3.15 -0.15 -0.05 0.56 -0.12 -1.26 -2.62 117.98 111.19 1de2 s PHE 31 Ca 0.57 -0.30 -0.00 0.00 -0.05 0.00 0.00 56.93 57.15 1de2 s PHE 31 Cb -0.12 0.71 0.03 0.00 -0.63 0.00 0.00 43.02 43.00 1de2 s PHE 31 CO 0.54 -1.18 0.00 -1.21 -0.05 0.00 0.00 175.22 173.32 1de2 s GLU 32 N -3.63 0.42 0.38 1.99 0.41 0.19 -4.78 118.70 113.68 1de2 s GLU 32 Ca 0.12 0.11 -0.05 0.00 -0.41 0.00 0.00 54.97 54.73 1de2 s GLU 32 Cb -0.05 -0.70 -0.05 0.00 -1.78 0.00 0.00 34.13 31.56 1de2 s GLU 32 CO 0.06 -0.21 0.67 0.12 -0.49 0.00 0.00 175.26 175.41 1de2 s PHE 33 N 1.49 3.50 -0.17 1.61 5.36 -1.26 -2.39 117.98 126.12 1de2 s PHE 33 Ca -0.03 0.74 -0.07 0.00 -0.96 0.00 0.00 56.93 56.61 1de2 s PHE 33 Cb -0.13 -2.20 0.07 0.00 -0.34 0.00 0.00 43.02 40.42 1de2 s PHE 33 CO -0.03 -0.02 0.37 0.42 -1.46 0.00 0.00 175.22 174.50 1de2 s ILE 34 N -2.37 -0.38 -0.45 3.12 1.01 -0.51 -4.89 121.20 116.73 1de2 s ILE 34 Ca 0.46 0.17 -0.25 0.00 0.00 0.00 0.00 60.65 61.03 1de2 s ILE 34 Cb -0.10 -0.58 0.02 0.00 0.01 0.00 0.00 42.46 41.81 1de2 s ILE 34 CO 0.35 0.07 0.88 0.54 0.00 0.00 0.00 174.94 176.78 1de2 s ASN 35 N 2.14 6.49 0.23 3.58 2.20 -1.26 -2.03 114.94 126.28 1de2 s ASN 35 Ca -0.04 0.10 0.23 0.00 -0.94 0.00 0.00 52.86 52.21 1de2 s ASN 35 Cb -0.11 -2.43 0.94 0.00 -2.00 0.00 0.00 41.25 37.65 1de2 s ASN 35 CO -0.12 -0.98 1.69 2.30 -2.94 0.00 0.00 177.10 177.05 1de2 n ILE 36 N 6.28 0.83 -3.79 0.54 -0.00 -0.83 -4.14 119.36 118.25 1de2 n ILE 36 Ca 0.05 0.21 -0.30 0.00 -0.00 0.00 0.00 62.75 62.71 1de2 n ILE 36 Cb 0.48 -1.12 -0.13 0.00 -0.00 0.00 0.00 39.64 38.87 1de2 n ILE 36 CO 0.00 0.00 0.00 -0.32 -0.00 0.00 0.00 176.55 176.23 1de2 s MET 37 N -3.28 1.54 0.00 6.28 0.00 -1.26 0.11 119.30 122.69 1de2 s MET 37 Ca 0.05 -2.24 0.31 0.00 0.00 0.00 0.00 55.69 53.80 1de2 s MET 37 Cb 0.09 -2.68 1.85 0.00 0.00 0.00 0.00 34.83 34.09 1de2 s MET 37 CO 0.39 -1.15 2.18 -0.35 0.00 0.00 0.00 175.02 176.09 1de2 n PRO 38 N 3.35 0.97 -3.83 4.11 -0.04 -1.26 -4.74 135.00 133.56 1de2 n PRO 38 Ca 0.08 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.41 1de2 n PRO 38 Cb 0.34 -1.50 -0.15 0.00 -0.04 0.00 0.00 33.50 32.15 1de2 n PRO 38 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 1de2 s GLU 39 N -2.00 -0.01 0.00 0.54 2.12 -1.26 -5.01 118.70 113.08 1de2 s GLU 39 Ca 0.46 0.07 0.06 0.00 0.36 0.00 0.00 54.97 55.92 1de2 s GLU 39 Cb 0.21 -0.09 0.27 0.00 0.26 0.00 0.00 34.13 34.78 1de2 s GLU 39 CO 0.36 -0.06 1.12 1.63 -0.54 0.00 0.00 175.26 177.76 1de2 n LYS 40 N 3.50 0.04 -0.04 4.30 5.02 -1.26 -3.00 118.16 126.72 1de2 n LYS 40 Ca -0.18 0.32 -0.01 0.00 -2.02 0.00 0.00 58.31 56.42 1de2 n LYS 40 Cb 0.56 -1.50 -0.00 0.00 -0.02 0.00 0.00 35.03 34.07 1de2 n LYS 40 CO 0.00 0.00 0.00 0.78 -0.52 0.00 0.00 177.40 177.66 1de2 h GLY 41 N 0.98 0.00 -4.62 0.72 0.00 -1.96 -3.49 103.07 94.70 1de2 h GLY 41 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 47.20 1de2 h GLY 41 CO 0.00 0.00 -0.37 0.14 0.00 0.00 0.00 176.54 176.31 1de2 s VAL 42 N -1.56 0.07 1.06 4.60 1.01 -1.16 -5.17 120.40 119.24 1de2 s VAL 42 Ca -0.04 -0.56 -0.14 0.00 0.00 0.00 0.00 61.98 61.24 1de2 s VAL 42 Cb 0.01 -0.54 0.22 0.00 0.00 0.00 0.00 36.38 36.07 1de2 s VAL 42 CO 0.06 -0.31 1.09 0.72 0.00 0.00 0.00 175.10 176.66 1de2 s PHE 43 N -1.35 1.75 -0.41 5.22 -0.12 -1.26 -4.12 117.98 117.70 1de2 s PHE 43 Ca -0.14 0.90 -0.18 0.00 -0.05 0.00 0.00 56.93 57.46 1de2 s PHE 43 Cb -0.06 -3.29 0.02 0.00 -0.63 0.00 0.00 43.02 39.06 1de2 s PHE 43 CO 0.03 -3.19 0.46 0.34 -0.05 0.00 0.00 175.22 172.81 1de2 s ASP 44 N -3.46 6.22 0.56 1.98 -1.08 0.30 -4.91 116.67 116.27 1de2 s ASP 44 Ca 0.67 -0.54 0.32 0.00 -0.52 0.00 0.00 52.55 52.47 1de2 s ASP 44 Cb -0.18 -2.24 1.65 0.00 -1.46 0.00 0.00 42.92 40.70 1de2 s ASP 44 CO 0.58 -0.57 2.13 0.44 0.52 0.00 0.00 175.17 178.27 1de2 h ASP 45 N 8.70 0.00 0.18 -0.34 3.32 -1.94 -2.52 116.42 123.81 1de2 h ASP 45 Ca -0.27 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 56.78 1de2 h ASP 45 Cb 1.11 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.65 1de2 h ASP 45 CO 0.79 0.07 -0.14 1.05 -1.72 0.00 0.00 179.24 179.29 1de2 h GLU 46 N 0.00 -0.32 -0.20 3.56 4.11 -1.96 0.77 114.58 120.54 1de2 h GLU 46 Ca -0.00 0.02 -0.09 0.00 0.07 0.00 0.00 59.36 59.36 1de2 h GLU 46 Cb 0.27 0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.59 1de2 h GLU 46 CO 0.01 -0.21 -0.22 0.87 0.07 0.00 0.00 179.01 179.52 1de2 h LYS 47 N -0.33 0.50 -0.96 1.06 1.57 -1.90 -3.01 116.57 113.50 1de2 h LYS 47 Ca -0.01 -0.28 0.11 0.00 -1.87 0.00 0.00 60.65 58.61 1de2 h LYS 47 Cb 0.30 0.01 -0.08 0.00 0.08 0.00 0.00 32.23 32.54 1de2 h LYS 47 CO -0.01 0.86 0.59 0.82 -0.57 0.00 0.00 179.45 181.14 1de2 h ILE 48 N 0.17 0.93 0.06 1.86 1.08 -1.29 -1.99 117.51 118.32 1de2 h ILE 48 Ca 0.03 -0.33 0.01 0.00 -0.39 0.00 0.00 64.86 64.18 1de2 h ILE 48 Cb 0.78 -0.11 -0.01 0.00 -3.07 0.00 0.00 36.82 34.41 1de2 h ILE 48 CO 0.05 0.17 -0.09 0.00 -0.69 0.00 0.00 178.15 177.60 1de2 h ALA 49 N 1.51 -0.14 -0.54 1.87 0.00 0.66 -1.42 119.26 121.21 1de2 h ALA 49 Ca 0.47 -0.01 0.11 0.00 0.00 0.00 0.00 54.91 55.47 1de2 h ALA 49 Cb 0.44 0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.33 1de2 h ALA 49 CO -0.26 -0.60 0.37 1.49 0.00 0.00 0.00 179.25 180.25 1de2 h GLU 50 N -0.18 0.25 0.01 0.00 4.81 -1.26 -1.45 114.58 116.77 1de2 h GLU 50 Ca 0.02 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1de2 h GLU 50 Cb 0.19 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.51 1de2 h GLU 50 CO -0.05 0.17 -0.01 1.25 -0.73 0.00 0.00 179.01 179.64 1de2 h LEU 51 N 0.26 -0.01 -0.79 1.64 6.46 -0.59 -2.70 115.31 119.57 1de2 h LEU 51 Ca 0.25 -0.05 0.13 0.00 -0.12 0.00 0.00 57.88 58.10 1de2 h LEU 51 Cb 0.65 0.00 -0.09 0.00 -0.73 0.00 0.00 40.66 40.49 1de2 h LEU 51 CO -0.05 0.04 0.37 -0.07 -0.62 0.00 0.00 178.44 178.11 1de2 h LEU 52 N -0.07 0.43 -0.54 2.25 3.38 -0.77 -0.98 115.31 119.01 1de2 h LEU 52 Ca -0.00 0.09 0.08 0.00 0.09 0.00 0.00 57.88 58.14 1de2 h LEU 52 Cb 0.06 0.03 -0.06 0.00 0.09 0.00 0.00 40.66 40.78 1de2 h LEU 52 CO 0.00 0.19 0.19 0.74 0.09 0.00 0.00 178.44 179.65 1de2 h THR 53 N 0.56 0.79 -0.52 0.22 2.02 -1.27 -0.51 112.91 114.20 1de2 h THR 53 Ca 0.42 -0.12 -0.04 0.00 0.77 0.00 0.00 66.41 67.43 1de2 h THR 53 Cb 0.58 0.40 -0.02 0.00 -1.74 0.00 0.00 68.15 67.37 1de2 h THR 53 CO -0.36 0.07 0.15 0.11 0.37 0.00 0.00 175.52 175.86 1de2 h LYS 54 N 0.36 0.78 0.25 6.66 1.57 -0.99 -2.96 116.57 122.25 1de2 h LYS 54 Ca 0.27 -0.15 -0.01 0.00 -1.87 0.00 0.00 60.65 58.89 1de2 h LYS 54 Cb 0.31 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.50 1de2 h LYS 54 CO -0.28 0.69 -0.12 -0.07 -0.57 0.00 0.00 179.45 179.10 1de2 h LEU 55 N 0.76 -0.29 0.00 2.94 3.38 -0.29 -3.43 115.31 118.38 1de2 h LEU 55 Ca 0.17 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.11 1de2 h LEU 55 Cb 0.25 0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.07 1de2 h LEU 55 CO -0.01 -0.15 0.00 0.61 0.09 0.00 0.00 178.44 178.98 1de2 n GLY 56 N -1.06 -0.71 1.51 0.83 0.00 -0.44 -4.96 105.19 100.35 1de2 n GLY 56 Ca -0.10 0.33 -0.02 0.00 0.00 0.00 0.00 46.02 46.24 1de2 n GLY 56 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1de2 n ARG 57 N 0.00 0.27 0.00 1.61 0.63 -1.26 -4.55 116.66 113.36 1de2 n ARG 57 Ca 0.00 -1.63 0.00 0.00 -0.92 0.00 0.00 57.85 55.30 1de2 n ARG 57 Cb 0.00 0.12 0.00 0.00 0.45 0.00 0.00 32.46 33.03 1de2 n ARG 57 CO 0.00 0.00 0.00 -3.47 -2.51 0.00 0.00 177.63 171.65 1de2 n ASP 58 N 0.01 0.00 -4.68 6.15 -0.08 -1.26 -5.17 116.55 111.52 1de2 n ASP 58 Ca -0.11 0.00 -0.27 0.00 -1.51 0.00 0.00 54.79 52.91 1de2 n ASP 58 Cb 0.90 0.00 -0.09 0.00 2.34 0.00 0.00 41.12 44.27 1de2 n ASP 58 CO 0.00 0.00 0.00 0.28 0.12 0.00 0.00 177.20 177.60 1de2 s THR 59 N 2.63 2.13 -0.71 5.18 -1.32 -1.26 -5.06 115.64 117.24 1de2 s THR 59 Ca 0.00 -1.86 -0.26 0.00 -1.21 0.00 0.00 61.69 58.36 1de2 s THR 59 Cb 0.00 -2.99 -0.01 0.00 -1.51 0.00 0.00 72.50 68.00 1de2 s THR 59 CO 0.00 0.00 1.68 -1.10 -2.21 0.00 0.00 174.62 172.99 1de2 s GLN 60 N -3.80 2.83 -1.30 7.08 -0.21 -1.26 -4.90 119.66 118.10 1de2 s GLN 60 Ca 0.37 0.16 -0.18 0.00 0.02 0.00 0.00 55.36 55.74 1de2 s GLN 60 Cb 0.07 -4.47 0.07 0.00 1.00 0.00 0.00 33.01 29.68 1de2 s GLN 60 CO 0.20 -2.61 1.75 0.44 -2.12 0.00 0.00 175.29 172.94 1de2 n ILE 61 N 7.04 3.93 -1.55 1.08 -6.64 -1.26 -4.08 119.36 117.87 1de2 n ILE 61 Ca 0.19 -4.08 -0.14 0.00 -1.77 0.00 0.00 62.75 56.94 1de2 n ILE 61 Cb 0.51 -2.35 -0.05 0.00 -1.44 0.00 0.00 39.64 36.30 1de2 n ILE 61 CO 0.00 0.00 0.00 0.61 -1.77 0.00 0.00 176.55 175.39 1de2 n GLY 62 N 5.39 1.17 3.70 3.28 0.00 -1.26 -4.93 105.19 112.55 1de2 n GLY 62 Ca 0.49 -0.36 -0.44 0.00 0.00 0.00 0.00 46.02 45.72 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 -1.66 3.68 -4.45 0.99 -0.00 -1.26 -5.00 117.00 109.30 1de2 n LEU 63 Ca -0.14 1.10 -0.22 0.00 -0.00 0.00 0.00 56.01 56.74 1de2 n LEU 63 Cb 0.49 -1.52 -0.10 0.00 -0.00 0.00 0.00 43.42 42.29 1de2 n LEU 63 CO 0.21 -0.05 -0.39 -0.89 -0.00 0.00 0.00 177.39 176.26 1de2 s THR 64 N 0.69 1.91 0.13 1.96 2.01 -1.26 -5.11 115.64 115.97 1de2 s THR 64 Ca 0.73 -2.19 0.05 0.00 0.31 0.00 0.00 61.69 60.59 1de2 s THR 64 Cb -0.57 -2.43 -0.04 0.00 0.01 0.00 0.00 72.50 69.46 1de2 s THR 64 CO 0.40 -0.32 0.05 -0.04 -0.69 0.00 0.00 174.62 174.01 1de2 s MET 65 N -3.66 2.65 0.14 4.92 -1.94 -1.26 -3.77 119.30 116.38 1de2 s MET 65 Ca 0.29 -0.88 -0.27 0.00 -1.71 0.00 0.00 55.69 53.12 1de2 s MET 65 Cb 0.02 -2.55 -0.07 0.00 2.01 0.00 0.00 34.83 34.23 1de2 s MET 65 CO 0.13 0.51 0.83 -1.25 -0.01 0.00 0.00 175.02 175.23 1de2 s PRO 66 N -2.66 4.62 -0.07 2.03 0.05 -1.26 -5.04 135.00 132.67 1de2 s PRO 66 Ca 0.28 1.23 -0.12 0.00 0.05 0.00 0.00 61.00 62.45 1de2 s PRO 66 Cb -0.11 -3.31 -0.05 0.00 0.05 0.00 0.00 34.50 31.09 1de2 s PRO 66 CO 0.20 0.44 0.29 -1.14 0.05 0.00 0.00 177.00 176.84 1de2 s GLN 67 N -0.72 3.78 0.18 4.56 2.00 0.38 -4.43 119.66 125.40 1de2 s GLN 67 Ca 0.39 0.16 0.07 0.00 -2.00 0.00 0.00 55.36 53.98 1de2 s GLN 67 Cb -0.23 -3.24 -0.04 0.00 0.80 0.00 0.00 33.01 30.30 1de2 s GLN 67 CO 0.27 0.66 0.03 0.08 -0.50 0.00 0.00 175.29 175.83 1de2 s VAL 68 N -0.84 3.88 -0.03 1.34 1.01 0.16 0.14 120.40 126.06 1de2 s VAL 68 Ca 0.19 -1.37 -0.05 0.00 0.00 0.00 0.00 61.98 60.76 1de2 s VAL 68 Cb -0.14 -2.96 0.01 0.00 0.00 0.00 0.00 36.38 33.28 1de2 s VAL 68 CO 0.08 -0.12 0.11 -0.36 0.00 0.00 0.00 175.10 174.82 1de2 s PHE 69 N -1.76 -0.06 0.79 5.22 0.40 0.14 -2.89 117.98 119.82 1de2 s PHE 69 Ca 0.28 0.14 -0.14 0.00 -0.60 0.00 0.00 56.93 56.61 1de2 s PHE 69 Cb -0.09 0.00 0.04 0.00 0.51 0.00 0.00 43.02 43.47 1de2 s PHE 69 CO 0.20 -0.13 0.93 0.00 0.70 0.00 0.00 175.22 176.92 1de2 n ALA 70 N 2.52 -0.63 0.40 5.36 0.00 0.25 -0.65 120.51 127.77 1de2 n ALA 70 Ca -0.16 -0.31 0.13 0.00 0.00 0.00 0.00 53.44 53.11 1de2 n ALA 70 Cb 0.58 -2.09 0.50 0.00 0.00 0.00 0.00 19.45 18.43 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 -0.70 0.00 -0.00 0.00 0.11 -1.87 -2.81 132.00 126.72 1de2 h PRO 71 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1de2 h PRO 71 Cb 1.32 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.43 1de2 h PRO 71 CO 0.44 0.00 -0.60 -0.40 -0.21 0.00 0.00 178.00 177.23 1de2 n ASP 72 N -2.47 1.14 0.00 -2.05 5.68 -1.26 -4.78 116.55 112.81 1de2 n ASP 72 Ca 0.03 -1.07 0.00 0.00 -0.50 0.00 0.00 54.79 53.24 1de2 n ASP 72 Cb 0.30 0.79 0.00 0.00 -1.14 0.00 0.00 41.12 41.07 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 1.31 0.84 3.61 6.12 0.00 -1.06 -5.17 105.19 110.83 1de2 n GLY 73 Ca 0.05 -0.68 -0.04 0.00 0.00 0.00 0.00 46.02 45.34 1de2 n GLY 73 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1de2 s SER 74 N 0.00 -0.12 -0.16 1.61 0.15 -1.26 -4.87 113.70 109.06 1de2 s SER 74 Ca 0.00 0.05 -0.20 0.00 0.70 0.00 0.00 55.95 56.50 1de2 s SER 74 Cb 0.00 0.12 -0.03 0.00 -1.71 0.00 0.00 66.02 64.39 1de2 s SER 74 CO 0.00 -0.17 0.57 -2.28 1.20 0.00 0.00 173.24 172.55 1de2 s HIS 75 N -1.94 3.44 -0.08 3.44 2.46 -1.26 0.88 115.29 122.23 1de2 s HIS 75 Ca 0.08 0.92 -0.02 0.00 0.47 0.00 0.00 55.06 56.52 1de2 s HIS 75 Cb -0.01 -2.69 -0.04 0.00 -0.13 0.00 0.00 32.58 29.70 1de2 s HIS 75 CO -0.05 -0.02 -0.09 -0.89 -2.47 0.00 0.00 174.74 171.22 1de2 n ILE 76 N 4.22 0.47 0.00 0.89 5.41 -1.14 -4.86 119.36 124.35 1de2 n ILE 76 Ca -0.04 -0.14 0.00 0.00 1.00 0.00 0.00 62.75 63.57 1de2 n ILE 76 Cb 0.51 -1.27 0.00 0.00 -0.71 0.00 0.00 39.64 38.17 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 2.73 0.41 0.00 7.39 0.00 -1.20 -4.28 105.19 110.25 1de2 n GLY 77 Ca -0.16 -2.01 0.00 0.00 0.00 0.00 0.00 46.02 43.86 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 0.53 0.00 -0.02 0.00 -1.26 0.40 105.19 104.84 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 -0.19 1.61 -0.00 -1.26 -2.10 117.46 115.52 1de2 n PHE 79 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.45 1de2 n PHE 79 Cb 0.00 -0.46 0.10 0.00 -0.00 0.00 0.00 39.48 39.12 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 0.01 -0.88 -2.13 3.58 -1.98 0.87 116.42 115.89 1de2 h ASP 80 Ca 0.00 0.11 0.03 0.00 0.42 0.00 0.00 57.03 57.59 1de2 h ASP 80 Cb 0.00 0.15 -0.05 0.00 1.72 0.00 0.00 39.33 41.14 1de2 h ASP 80 CO 0.00 0.02 0.57 -0.61 -2.88 0.00 0.00 179.24 176.33 1de2 h GLN 81 N 0.26 1.08 -0.05 0.28 4.15 -1.89 -2.39 115.11 116.55 1de2 h GLN 81 Ca 0.30 -0.06 -0.21 0.00 0.77 0.00 0.00 58.65 59.45 1de2 h GLN 81 Cb 0.44 -0.24 0.00 0.00 0.21 0.00 0.00 27.48 27.89 1de2 h GLN 81 CO -0.39 0.71 -0.83 1.25 -1.93 0.00 0.00 178.83 177.65 1de2 h LEU 82 N 1.11 0.56 -1.72 -2.39 6.46 -0.44 -2.99 115.31 115.91 1de2 h LEU 82 Ca 0.34 -0.41 0.21 0.00 -0.12 0.00 0.00 57.88 57.91 1de2 h LEU 82 Cb -0.02 -0.17 -0.05 0.00 -0.73 0.00 0.00 40.66 39.69 1de2 h LEU 82 CO -0.11 1.18 0.59 -0.09 -0.62 0.00 0.00 178.44 179.38 1de2 h ARG 83 N 0.29 0.23 -0.18 1.25 2.43 0.12 1.33 114.38 119.84 1de2 h ARG 83 Ca -0.06 -0.01 -0.12 0.00 -0.81 0.00 0.00 59.98 58.98 1de2 h ARG 83 Cb 1.44 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 30.93 1de2 h ARG 83 CO 0.15 0.15 -0.41 0.93 -1.51 0.00 0.00 179.97 179.28 1de2 h GLU 84 N 0.23 0.43 -0.13 0.20 3.07 -1.35 1.17 114.58 118.20 1de2 h GLU 84 Ca 0.43 -0.21 -0.07 0.00 -0.50 0.00 0.00 59.36 59.01 1de2 h GLU 84 Cb 1.32 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 29.22 1de2 h GLU 84 CO -0.10 0.77 -0.23 -0.92 -1.40 0.00 0.00 179.01 177.12 1de2 h TYR 85 N 0.35 0.24 -0.00 4.33 5.03 0.17 -2.44 116.97 124.65 1de2 h TYR 85 Ca 0.03 -0.04 0.00 0.00 2.58 0.00 0.00 58.73 61.30 1de2 h TYR 85 Cb 0.87 -0.06 0.00 0.00 1.55 0.00 0.00 36.73 39.09 1de2 h TYR 85 CO 0.03 0.45 -0.81 1.19 -1.32 0.00 0.00 178.16 177.69 1de2 n PHE 86 N -4.19 0.00 -1.29 -3.82 3.72 -0.17 -5.12 117.46 106.60 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 0.34 -0.05 0.00 0.00 -0.94 0.00 0.00 39.48 38.83 1de2 n PHE 86 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34