#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 2.13 -0.16 1.12 0.08 -0.89 -4.05 117.98 116.20 1de2 s PHE 2 Ca 0.00 1.43 0.00 0.00 0.12 0.00 0.00 56.93 58.49 1de2 s PHE 2 Cb 0.00 -3.76 0.03 0.00 -0.57 0.00 0.00 43.02 38.72 1de2 s PHE 2 CO 0.00 -2.98 -0.12 0.15 -0.10 0.00 0.00 175.22 172.17 1de2 s LYS 3 N -3.20 2.07 0.00 0.44 3.01 -0.90 0.21 119.74 121.37 1de2 s LYS 3 Ca 0.79 -0.60 0.02 0.00 -1.01 0.00 0.00 55.97 55.17 1de2 s LYS 3 Cb -0.39 -2.13 -0.04 0.00 -1.01 0.00 0.00 37.83 34.26 1de2 s LYS 3 CO 0.43 -0.31 -0.02 0.08 0.51 0.00 0.00 175.35 176.04 1de2 s VAL 4 N 1.50 4.00 -0.34 3.17 1.01 -0.77 0.12 120.40 129.09 1de2 s VAL 4 Ca 0.03 -0.66 0.02 0.00 0.00 0.00 0.00 61.98 61.37 1de2 s VAL 4 Cb -0.14 -2.77 0.10 0.00 0.00 0.00 0.00 36.38 33.57 1de2 s VAL 4 CO -0.10 0.38 0.08 -0.31 0.00 0.00 0.00 175.10 175.15 1de2 s TYR 5 N -1.06 2.89 0.00 5.22 1.51 0.52 0.16 117.35 126.60 1de2 s TYR 5 Ca 0.19 -2.50 0.00 0.00 -1.01 0.00 0.00 57.07 53.75 1de2 s TYR 5 Cb -0.11 -2.42 0.00 0.00 -0.11 0.00 0.00 41.96 39.32 1de2 s TYR 5 CO 0.09 -0.91 0.00 0.41 -1.11 0.00 0.00 175.55 174.03 1de2 n GLY 6 N 4.44 2.83 3.78 0.71 0.00 -0.80 0.42 105.19 116.56 1de2 n GLY 6 Ca 0.02 -0.38 -0.29 0.00 0.00 0.00 0.00 46.02 45.37 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 -0.89 3.15 -0.03 1.61 2.02 -1.26 -1.90 117.35 120.04 1de2 s TYR 7 Ca 0.00 0.02 -0.10 0.00 -0.37 0.00 0.00 57.07 56.62 1de2 s TYR 7 Cb 0.00 -1.56 -0.06 0.00 -0.40 0.00 0.00 41.96 39.94 1de2 s TYR 7 CO 0.00 0.52 0.53 0.38 -1.57 0.00 0.00 175.55 175.41 1de2 h ASP 8 N 2.91 -0.31 0.00 2.29 3.04 -1.93 -3.48 116.42 118.94 1de2 h ASP 8 Ca -0.47 0.01 0.00 0.00 -3.24 0.00 0.00 57.03 53.33 1de2 h ASP 8 Cb 1.18 0.08 0.00 0.00 -1.04 0.00 0.00 39.33 39.55 1de2 h ASP 8 CO 0.64 -0.01 0.00 -1.54 -2.04 0.00 0.00 179.24 176.29 1de2 n SER 9 N -4.15 0.00 0.12 4.15 3.41 -1.26 -4.86 113.62 111.03 1de2 n SER 9 Ca -0.04 0.00 0.06 0.00 -0.26 0.00 0.00 58.87 58.63 1de2 n SER 9 Cb 0.14 0.00 0.02 0.00 -0.26 0.00 0.00 64.21 64.12 1de2 n SER 9 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1de2 h ASN 10 N 0.00 0.00 0.21 4.04 7.08 -1.99 -3.35 115.58 121.56 1de2 h ASN 10 Ca 0.00 0.00 -0.35 0.00 -3.08 0.00 0.00 56.30 52.87 1de2 h ASN 10 Cb 0.00 0.00 -0.01 0.00 -2.08 0.00 0.00 38.32 36.23 1de2 h ASN 10 CO 0.00 0.28 -1.86 0.40 -2.08 0.00 0.00 177.43 174.17 1de2 h ILE 11 N 0.00 0.77 -3.08 6.14 2.04 -1.95 -3.48 117.51 117.95 1de2 h ILE 11 Ca -0.04 -2.46 -0.15 0.00 1.00 0.00 0.00 64.86 63.21 1de2 h ILE 11 Cb 1.25 2.59 -0.24 0.00 -0.74 0.00 0.00 36.82 39.68 1de2 h ILE 11 CO 0.03 0.85 -0.38 -2.28 0.00 0.00 0.00 178.15 176.36 1de2 s HIS 12 N -2.57 -0.27 0.37 1.37 5.04 -1.26 -4.55 115.29 113.42 1de2 s HIS 12 Ca -0.18 0.65 -0.28 0.00 -1.54 0.00 0.00 55.06 53.71 1de2 s HIS 12 Cb 0.06 0.09 -0.11 0.00 0.04 0.00 0.00 32.58 32.67 1de2 s HIS 12 CO 0.81 -0.18 1.45 0.21 -2.34 0.00 0.00 174.74 174.68 1de2 s LYS 13 N -0.09 4.12 0.00 2.88 2.36 -1.26 -4.06 119.74 123.69 1de2 s LYS 13 Ca -0.02 2.49 0.00 0.00 -2.55 0.00 0.00 55.97 55.89 1de2 s LYS 13 Cb -0.03 -2.96 0.00 0.00 -1.05 0.00 0.00 37.83 33.79 1de2 s LYS 13 CO 0.01 -0.49 0.00 0.00 1.55 0.00 0.00 175.35 176.42 1de2 h VAL 15 N 0.00 0.69 -0.52 0.00 -1.51 -1.98 -3.34 116.25 109.59 1de2 h VAL 15 Ca 0.00 -2.14 0.02 0.00 -1.23 0.00 0.00 66.70 63.35 1de2 h VAL 15 Cb 0.00 2.22 -0.03 0.00 -2.13 0.00 0.00 31.29 31.35 1de2 h VAL 15 CO 0.00 0.39 0.34 1.88 -1.23 0.00 0.00 177.57 178.96 1de2 h TYR 16 N 0.00 0.60 -0.41 5.19 -1.99 -1.98 -2.16 116.97 116.22 1de2 h TYR 16 Ca -0.09 0.01 -0.08 0.00 2.00 0.00 0.00 58.73 60.57 1de2 h TYR 16 Cb 1.51 -0.20 -0.01 0.00 2.00 0.00 0.00 36.73 40.03 1de2 h TYR 16 CO 0.00 0.36 -0.07 0.00 -0.00 0.00 0.00 178.16 178.45 1de2 h ASP 18 N 0.59 0.00 0.03 0.00 5.19 -1.57 -2.45 116.42 118.21 1de2 h ASP 18 Ca 0.11 0.00 -0.00 0.00 -0.62 0.00 0.00 57.03 56.52 1de2 h ASP 18 Cb 0.58 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.09 1de2 h ASP 18 CO 0.03 0.07 -0.02 0.78 -3.12 0.00 0.00 179.24 176.99 1de2 h ASN 19 N 0.00 -0.04 -0.65 6.45 2.35 -1.08 -2.90 115.58 119.71 1de2 h ASN 19 Ca -0.00 -0.58 0.10 0.00 -0.55 0.00 0.00 56.30 55.27 1de2 h ASN 19 Cb 0.21 0.01 -0.08 0.00 0.05 0.00 0.00 38.32 38.51 1de2 h ASN 19 CO 0.01 0.72 0.26 0.00 -1.65 0.00 0.00 177.43 176.76 1de2 h ALA 20 N -0.31 0.87 0.15 -0.83 0.00 -1.28 0.77 119.26 118.63 1de2 h ALA 20 Ca -0.00 0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1de2 h ALA 20 Cb 0.62 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.46 1de2 h ALA 20 CO 0.01 -0.17 -0.07 -0.22 0.00 0.00 0.00 179.25 178.79 1de2 h LYS 21 N 0.44 -0.19 -0.95 0.00 3.64 -1.57 -2.05 116.57 115.89 1de2 h LYS 21 Ca 0.34 0.01 0.06 0.00 -1.27 0.00 0.00 60.65 59.78 1de2 h LYS 21 Cb 0.43 0.04 -0.06 0.00 -0.41 0.00 0.00 32.23 32.23 1de2 h LYS 21 CO -0.32 -0.12 0.62 -0.09 -2.27 0.00 0.00 179.45 177.26 1de2 h ARG 22 N -0.21 1.10 0.09 1.90 2.43 -1.18 -1.76 114.38 116.76 1de2 h ARG 22 Ca -0.02 -0.07 0.02 0.00 -0.81 0.00 0.00 59.98 59.10 1de2 h ARG 22 Cb 0.16 -0.25 -0.03 0.00 -0.42 0.00 0.00 29.97 29.44 1de2 h ARG 22 CO 0.03 0.73 -0.19 1.25 -1.51 0.00 0.00 179.97 180.28 1de2 h LEU 23 N 1.13 -0.52 -0.50 3.80 6.46 -0.48 -0.90 115.31 124.30 1de2 h LEU 23 Ca 0.40 0.06 0.06 0.00 -0.12 0.00 0.00 57.88 58.28 1de2 h LEU 23 Cb 0.13 0.20 -0.05 0.00 -0.73 0.00 0.00 40.66 40.21 1de2 h LEU 23 CO -0.14 -0.26 0.22 -0.07 -0.62 0.00 0.00 178.44 177.56 1de2 h LEU 24 N -0.35 0.28 -1.34 2.25 3.38 -0.87 0.84 115.31 119.49 1de2 h LEU 24 Ca 0.03 0.04 0.11 0.00 0.09 0.00 0.00 57.88 58.15 1de2 h LEU 24 Cb 0.38 -0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.07 1de2 h LEU 24 CO -0.11 0.19 0.53 0.74 0.09 0.00 0.00 178.44 179.88 1de2 h THR 25 N 0.43 0.92 0.00 0.22 2.02 -0.91 0.23 112.91 115.82 1de2 h THR 25 Ca 0.23 -0.25 -0.21 0.00 0.77 0.00 0.00 66.41 66.95 1de2 h THR 25 Cb 0.19 0.15 -0.03 0.00 -1.74 0.00 0.00 68.15 66.72 1de2 h THR 25 CO -0.20 0.13 -1.01 0.58 0.37 0.00 0.00 175.52 175.40 1de2 h VAL 26 N 0.71 1.71 0.00 3.16 2.07 0.34 -3.16 116.25 121.08 1de2 h VAL 26 Ca 0.38 -3.42 0.00 0.00 0.82 0.00 0.00 66.70 64.48 1de2 h VAL 26 Cb 0.51 2.85 0.00 0.00 -1.52 0.00 0.00 31.29 33.12 1de2 h VAL 26 CO -0.15 0.97 0.00 0.29 0.02 0.00 0.00 177.57 178.70 1de2 n LYS 27 N -3.35 0.17 -2.62 1.57 4.01 0.27 -4.94 118.16 113.28 1de2 n LYS 27 Ca -0.00 0.24 -0.10 0.00 -0.51 0.00 0.00 58.31 57.94 1de2 n LYS 27 Cb 0.94 -1.74 0.04 0.00 -0.51 0.00 0.00 35.03 33.76 1de2 n LYS 27 CO 0.00 0.00 0.00 1.63 -1.11 0.00 0.00 177.40 177.92 1de2 n LYS 28 N -2.06 -1.48 -3.87 1.97 4.01 0.56 -5.04 118.16 112.26 1de2 n LYS 28 Ca 0.05 0.55 -0.12 0.00 -0.51 0.00 0.00 58.31 58.28 1de2 n LYS 28 Cb 0.33 -4.27 -0.14 0.00 -0.51 0.00 0.00 35.03 30.45 1de2 n LYS 28 CO 0.00 0.00 0.00 -0.65 -1.11 0.00 0.00 177.40 175.64 1de2 s GLN 29 N -3.90 0.03 0.19 1.97 1.11 -1.12 -5.06 119.66 112.88 1de2 s GLN 29 Ca 0.29 -0.00 -0.30 0.00 0.01 0.00 0.00 55.36 55.36 1de2 s GLN 29 Cb -0.04 0.01 -0.08 0.00 -1.01 0.00 0.00 33.01 31.90 1de2 s GLN 29 CO 0.47 -0.00 0.95 -1.25 0.01 0.00 0.00 175.29 175.47 1de2 s PRO 30 N -0.05 4.79 0.26 2.91 0.04 -1.26 -4.64 135.00 137.05 1de2 s PRO 30 Ca -0.01 1.48 -0.16 0.00 0.04 0.00 0.00 61.00 62.36 1de2 s PRO 30 Cb -0.01 -3.32 0.01 0.00 0.04 0.00 0.00 34.50 31.22 1de2 s PRO 30 CO -0.00 0.39 0.57 -0.59 0.04 0.00 0.00 177.00 177.41 1de2 s PHE 31 N -0.71 0.17 -0.03 0.56 -0.71 -1.26 -2.10 117.98 113.89 1de2 s PHE 31 Ca 0.43 -0.57 0.00 0.00 -1.04 0.00 0.00 56.93 55.76 1de2 s PHE 31 Cb -0.25 0.39 0.03 0.00 -1.21 0.00 0.00 43.02 41.97 1de2 s PHE 31 CO 0.31 -1.10 0.01 -1.21 -1.34 0.00 0.00 175.22 171.90 1de2 s GLU 32 N -3.94 0.14 -0.23 1.99 2.02 0.13 -4.85 118.70 113.97 1de2 s GLU 32 Ca 0.18 0.13 -0.18 0.00 0.02 0.00 0.00 54.97 55.13 1de2 s GLU 32 Cb -0.03 -0.38 -0.03 0.00 0.10 0.00 0.00 34.13 33.80 1de2 s GLU 32 CO 0.09 -0.15 0.49 0.12 0.02 0.00 0.00 175.26 175.82 1de2 s PHE 33 N 1.05 3.32 -0.38 1.61 5.36 -1.26 -1.85 117.98 125.83 1de2 s PHE 33 Ca -0.09 0.67 -0.11 0.00 -0.96 0.00 0.00 56.93 56.43 1de2 s PHE 33 Cb -0.13 -2.66 0.03 0.00 -0.34 0.00 0.00 43.02 39.91 1de2 s PHE 33 CO -0.02 -0.17 0.21 0.42 -1.46 0.00 0.00 175.22 174.20 1de2 s ILE 34 N 1.90 4.58 -0.26 3.12 1.01 0.44 -4.91 121.20 127.07 1de2 s ILE 34 Ca 0.21 -0.89 -0.28 0.00 0.00 0.00 0.00 60.65 59.70 1de2 s ILE 34 Cb -0.15 -3.57 0.01 0.00 0.01 0.00 0.00 42.46 38.75 1de2 s ILE 34 CO 0.09 -0.26 0.98 0.54 0.00 0.00 0.00 174.94 176.29 1de2 s ASN 35 N 1.58 6.97 -0.77 3.58 4.22 -1.26 -1.91 114.94 127.35 1de2 s ASN 35 Ca 0.02 1.17 -0.02 0.00 -2.14 0.00 0.00 52.86 51.89 1de2 s ASN 35 Cb -0.19 -2.51 0.39 0.00 1.28 0.00 0.00 41.25 40.22 1de2 s ASN 35 CO 0.07 -0.68 2.02 2.30 -2.04 0.00 0.00 177.10 178.77 1de2 n ILE 36 N 5.45 3.60 -3.15 0.54 -5.35 -0.80 -4.76 119.36 114.90 1de2 n ILE 36 Ca 0.10 -3.73 0.04 0.00 -0.27 0.00 0.00 62.75 58.89 1de2 n ILE 36 Cb 0.47 -1.21 -0.00 0.00 -1.74 0.00 0.00 39.64 37.16 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 -3.97 0.49 0.24 6.28 1.75 -1.26 -3.62 119.30 119.21 1de2 s MET 37 Ca 0.57 0.46 0.04 0.00 -1.25 0.00 0.00 55.69 55.51 1de2 s MET 37 Cb 0.47 0.21 0.28 0.00 2.84 0.00 0.00 34.83 38.63 1de2 s MET 37 CO -0.24 -0.91 1.58 -1.00 -0.65 0.00 0.00 175.02 173.80 1de2 h PRO 38 N 7.84 0.28 -4.19 4.11 0.13 -1.85 -3.46 132.00 134.86 1de2 h PRO 38 Ca -0.02 -0.18 -0.13 0.00 -0.87 0.00 0.00 66.00 64.80 1de2 h PRO 38 Cb 1.19 0.02 -0.16 0.00 0.13 0.00 0.00 31.00 32.17 1de2 h PRO 38 CO 0.10 0.76 -0.68 -1.21 -0.23 0.00 0.00 178.00 176.74 1de2 s GLU 39 N -3.88 0.55 0.00 0.86 2.02 -1.23 -5.01 118.70 112.01 1de2 s GLU 39 Ca -0.05 -1.09 0.07 0.00 0.02 0.00 0.00 54.97 53.93 1de2 s GLU 39 Cb 0.12 0.18 0.33 0.00 0.10 0.00 0.00 34.13 34.86 1de2 s GLU 39 CO 0.80 -0.10 1.18 1.63 0.02 0.00 0.00 175.26 178.80 1de2 n LYS 40 N 0.43 0.04 -0.08 1.61 5.02 -1.26 -3.07 118.16 120.84 1de2 n LYS 40 Ca -0.16 0.32 -0.09 0.00 -2.02 0.00 0.00 58.31 56.36 1de2 n LYS 40 Cb 0.60 -1.50 -0.05 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 -0.52 0.00 0.00 177.40 177.66 1de2 h GLY 41 N 1.24 0.00 -5.19 0.72 0.00 -1.95 -3.49 103.07 94.40 1de2 h GLY 41 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 47.33 47.09 1de2 h GLY 41 CO 0.00 0.00 -0.72 0.14 0.00 0.00 0.00 176.54 175.96 1de2 s VAL 42 N -2.16 0.23 1.00 4.60 1.01 -1.18 -5.16 120.40 118.76 1de2 s VAL 42 Ca -0.16 -0.52 -0.13 0.00 0.00 0.00 0.00 61.98 61.16 1de2 s VAL 42 Cb 0.02 -0.28 0.19 0.00 0.00 0.00 0.00 36.38 36.32 1de2 s VAL 42 CO 0.31 -0.19 1.11 -0.36 0.00 0.00 0.00 175.10 175.97 1de2 s PHE 43 N -0.72 2.05 -0.33 5.22 0.08 -1.26 -3.56 117.98 119.46 1de2 s PHE 43 Ca -0.06 0.89 -0.17 0.00 0.12 0.00 0.00 56.93 57.72 1de2 s PHE 43 Cb -0.05 -3.32 -0.01 0.00 -0.57 0.00 0.00 43.02 39.06 1de2 s PHE 43 CO -0.00 -2.90 0.44 -0.51 -0.10 0.00 0.00 175.22 172.15 1de2 s ASP 44 N -3.63 6.26 0.55 1.36 1.01 -1.24 -4.73 116.67 116.25 1de2 s ASP 44 Ca 0.66 -0.05 0.25 0.00 0.71 0.00 0.00 52.55 54.12 1de2 s ASP 44 Cb -0.17 -2.24 1.47 0.00 1.01 0.00 0.00 42.92 43.00 1de2 s ASP 44 CO 0.57 -0.39 2.07 -0.78 0.21 0.00 0.00 175.17 176.85 1de2 h ASP 45 N 8.41 0.00 0.28 0.27 3.58 -1.95 -0.70 116.42 126.31 1de2 h ASP 45 Ca -0.29 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.15 1de2 h ASP 45 Cb 1.14 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.19 1de2 h ASP 45 CO 0.73 0.00 -0.13 -0.08 -2.88 0.00 0.00 179.24 176.87 1de2 h GLU 46 N 0.00 -0.36 -0.07 0.28 4.81 -1.98 0.35 114.58 117.61 1de2 h GLU 46 Ca 0.13 0.02 -0.04 0.00 -0.13 0.00 0.00 59.36 59.34 1de2 h GLU 46 Cb 0.57 0.08 -0.00 0.00 0.63 0.00 0.00 28.75 30.03 1de2 h GLU 46 CO -0.00 -0.19 -0.11 0.87 -0.73 0.00 0.00 179.01 178.85 1de2 h LYS 47 N -0.43 0.19 -0.31 1.92 1.79 -1.75 -1.82 116.57 116.16 1de2 h LYS 47 Ca -0.04 -0.12 0.05 0.00 -2.18 0.00 0.00 60.65 58.37 1de2 h LYS 47 Cb 0.33 0.01 -0.04 0.00 -1.58 0.00 0.00 32.23 30.94 1de2 h LYS 47 CO 0.06 0.68 0.04 0.82 -1.08 0.00 0.00 179.45 179.97 1de2 h ILE 48 N -0.27 0.82 -0.80 1.86 5.03 -1.17 0.42 117.51 123.40 1de2 h ILE 48 Ca 0.01 -0.05 -0.00 0.00 -0.12 0.00 0.00 64.86 64.70 1de2 h ILE 48 Cb 0.66 0.66 -0.04 0.00 -3.03 0.00 0.00 36.82 35.07 1de2 h ILE 48 CO 0.02 0.03 0.49 0.00 -0.68 0.00 0.00 178.15 178.01 1de2 h ALA 49 N 1.25 1.02 -0.30 1.87 0.00 -0.34 -2.05 119.26 120.71 1de2 h ALA 49 Ca 0.15 -0.09 -0.09 0.00 0.00 0.00 0.00 54.91 54.88 1de2 h ALA 49 Cb 0.18 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 1de2 h ALA 49 CO -0.22 0.48 -0.19 1.49 0.00 0.00 0.00 179.25 180.81 1de2 h GLU 50 N 1.10 0.56 0.37 0.00 4.81 -0.45 -2.81 114.58 118.16 1de2 h GLU 50 Ca 0.29 -0.19 -0.01 0.00 -0.13 0.00 0.00 59.36 59.31 1de2 h GLU 50 Cb -0.05 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.28 1de2 h GLU 50 CO -0.05 0.72 -0.23 1.25 -0.73 0.00 0.00 179.01 179.96 1de2 h LEU 51 N 0.50 -0.59 -0.58 1.64 5.85 0.51 0.77 115.31 123.41 1de2 h LEU 51 Ca 0.08 0.04 0.09 0.00 0.84 0.00 0.00 57.88 58.93 1de2 h LEU 51 Cb 0.62 0.18 -0.07 0.00 0.37 0.00 0.00 40.66 41.75 1de2 h LEU 51 CO 0.04 -0.37 0.18 -0.07 -0.34 0.00 0.00 178.44 177.89 1de2 h LEU 52 N -0.58 0.14 -1.56 2.25 3.38 -1.41 0.11 115.31 117.64 1de2 h LEU 52 Ca -0.04 0.08 -0.03 0.00 0.09 0.00 0.00 57.88 57.99 1de2 h LEU 52 Cb 0.48 0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.31 1de2 h LEU 52 CO 0.03 0.09 -0.01 0.74 0.09 0.00 0.00 178.44 179.38 1de2 h THR 53 N 0.35 1.13 -0.25 0.22 2.02 -1.22 -1.90 112.91 113.25 1de2 h THR 53 Ca 0.29 -0.49 -0.14 0.00 0.77 0.00 0.00 66.41 66.84 1de2 h THR 53 Cb 0.38 1.01 -0.01 0.00 -1.74 0.00 0.00 68.15 67.78 1de2 h THR 53 CO -0.32 0.16 -0.41 0.11 0.37 0.00 0.00 175.52 175.43 1de2 h LYS 54 N 0.26 0.61 0.87 6.66 1.79 0.16 -3.27 116.57 123.66 1de2 h LYS 54 Ca 0.06 -0.32 -0.04 0.00 -2.18 0.00 0.00 60.65 58.17 1de2 h LYS 54 Cb 0.20 0.01 0.01 0.00 -1.58 0.00 0.00 32.23 30.87 1de2 h LYS 54 CO 0.01 0.91 -0.43 -0.07 -1.08 0.00 0.00 179.45 178.78 1de2 h LEU 55 N 0.50 -1.04 0.00 2.94 3.38 -0.31 -3.46 115.31 117.33 1de2 h LEU 55 Ca 0.04 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1de2 h LEU 55 Cb 0.93 0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.95 1de2 h LEU 55 CO 0.08 -0.73 0.00 0.61 0.09 0.00 0.00 178.44 178.50 1de2 n GLY 56 N -1.60 -1.12 1.37 0.83 0.00 -1.07 -4.92 105.19 98.68 1de2 n GLY 56 Ca -0.15 0.56 0.01 0.00 0.00 0.00 0.00 46.02 46.44 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 0.00 0.02 0.00 1.61 5.12 -1.26 -4.70 116.66 117.45 1de2 n ARG 57 Ca 0.00 -1.71 0.00 0.00 -1.93 0.00 0.00 57.85 54.21 1de2 n ARG 57 Cb 0.00 0.14 0.00 0.00 -1.16 0.00 0.00 32.46 31.44 1de2 n ARG 57 CO 0.00 0.00 0.00 -3.47 -1.93 0.00 0.00 177.63 172.23 1de2 n ASP 58 N 0.33 0.70 -4.61 0.55 -0.08 -1.26 -5.17 116.55 107.00 1de2 n ASP 58 Ca -0.04 0.00 -0.28 0.00 -1.51 0.00 0.00 54.79 52.96 1de2 n ASP 58 Cb 1.01 0.00 -0.11 0.00 2.34 0.00 0.00 41.12 44.36 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 1.57 1.86 -0.77 5.18 -1.32 -1.26 -5.02 115.64 115.88 1de2 s THR 59 Ca 0.00 -2.00 -0.26 0.00 -1.21 0.00 0.00 61.69 58.22 1de2 s THR 59 Cb 0.00 -2.92 0.04 0.00 -1.51 0.00 0.00 72.50 68.11 1de2 s THR 59 CO 0.00 0.00 1.26 0.00 -2.21 0.00 0.00 174.62 173.67 1de2 s GLN 60 N -3.74 3.24 -1.18 7.08 -2.07 -1.26 -4.94 119.66 116.80 1de2 s GLN 60 Ca 0.33 -0.48 -0.20 0.00 -1.82 0.00 0.00 55.36 53.19 1de2 s GLN 60 Cb 0.09 -4.37 0.06 0.00 -1.09 0.00 0.00 33.01 27.70 1de2 s GLN 60 CO 0.17 -2.11 1.63 0.42 -1.32 0.00 0.00 175.29 174.08 1de2 s ILE 61 N 5.34 4.02 -1.87 3.63 -1.09 -1.26 -4.13 121.20 125.85 1de2 s ILE 61 Ca 0.35 -1.41 0.00 0.00 -2.23 0.00 0.00 60.65 57.36 1de2 s ILE 61 Cb -0.08 -5.12 0.00 0.00 -1.58 0.00 0.00 42.46 35.68 1de2 s ILE 61 CO 0.10 -1.96 0.00 0.61 -1.23 0.00 0.00 174.94 172.46 1de2 n GLY 62 N 6.03 0.65 3.76 6.18 0.00 -1.26 -4.92 105.19 115.64 1de2 n GLY 62 Ca 0.42 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 46.05 1de2 n GLY 62 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1de2 s LEU 63 N -5.30 4.09 0.17 0.99 1.98 -1.26 -5.02 118.68 114.33 1de2 s LEU 63 Ca 0.00 2.88 0.10 0.00 -2.89 0.00 0.00 54.13 54.22 1de2 s LEU 63 Cb 0.00 -3.98 -0.04 0.00 0.66 0.00 0.00 46.19 42.83 1de2 s LEU 63 CO 0.00 -1.20 -0.23 0.42 -1.89 0.00 0.00 176.35 173.45 1de2 s THR 64 N -1.22 2.15 0.14 3.68 -4.23 -1.26 -5.12 115.64 109.78 1de2 s THR 64 Ca 0.62 -1.90 0.03 0.00 -1.18 0.00 0.00 61.69 59.26 1de2 s THR 64 Cb -0.43 -1.98 -0.04 0.00 1.34 0.00 0.00 72.50 71.40 1de2 s THR 64 CO 0.54 -0.12 0.20 -0.04 -0.54 0.00 0.00 174.62 174.67 1de2 s MET 65 N -2.50 3.18 0.28 3.99 1.00 -1.26 -3.94 119.30 120.05 1de2 s MET 65 Ca 0.17 -0.69 -0.29 0.00 0.00 0.00 0.00 55.69 54.88 1de2 s MET 65 Cb -0.08 -2.83 -0.09 0.00 0.00 0.00 0.00 34.83 31.83 1de2 s MET 65 CO 0.08 0.52 1.00 -2.14 0.00 0.00 0.00 175.02 174.48 1de2 s PRO 66 N -3.03 4.67 -0.26 2.03 0.02 -1.26 -4.99 135.00 132.18 1de2 s PRO 66 Ca 0.33 1.57 -0.11 0.00 0.02 0.00 0.00 61.00 62.80 1de2 s PRO 66 Cb -0.11 -3.10 -0.05 0.00 0.02 0.00 0.00 34.50 31.27 1de2 s PRO 66 CO 0.26 0.31 0.20 -0.65 -0.33 0.00 0.00 177.00 176.80 1de2 s GLN 67 N -1.54 4.02 0.41 5.54 -0.21 0.17 -4.29 119.66 123.76 1de2 s GLN 67 Ca 0.45 -0.24 0.04 0.00 0.02 0.00 0.00 55.36 55.63 1de2 s GLN 67 Cb -0.26 -3.60 -0.00 0.00 1.00 0.00 0.00 33.01 30.14 1de2 s GLN 67 CO 0.33 -0.08 0.59 0.08 -2.12 0.00 0.00 175.29 174.09 1de2 s VAL 68 N 1.47 3.82 -0.03 1.09 1.01 0.19 0.20 120.40 128.15 1de2 s VAL 68 Ca 0.09 -0.76 -0.04 0.00 0.00 0.00 0.00 61.98 61.27 1de2 s VAL 68 Cb -0.15 -3.36 0.01 0.00 0.00 0.00 0.00 36.38 32.87 1de2 s VAL 68 CO 0.08 -0.20 0.09 -0.36 0.00 0.00 0.00 175.10 174.71 1de2 s PHE 69 N -2.41 -0.06 0.23 5.22 0.08 0.33 -2.44 117.98 118.94 1de2 s PHE 69 Ca 0.48 0.14 -0.32 0.00 0.12 0.00 0.00 56.93 57.36 1de2 s PHE 69 Cb -0.10 0.00 -0.14 0.00 -0.57 0.00 0.00 43.02 42.22 1de2 s PHE 69 CO 0.35 -0.10 1.39 0.00 -0.10 0.00 0.00 175.22 176.76 1de2 n ALA 70 N 2.68 0.91 -0.44 5.36 0.00 0.93 -2.12 120.51 127.82 1de2 n ALA 70 Ca -0.15 0.42 0.41 0.00 0.00 0.00 0.00 53.44 54.12 1de2 n ALA 70 Cb 0.58 -2.25 0.76 0.00 0.00 0.00 0.00 19.45 18.54 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 4.21 0.00 0.00 0.00 0.11 -1.89 -3.01 132.00 131.42 1de2 h PRO 71 Ca -0.45 0.00 -0.15 0.00 0.11 0.00 0.00 66.00 65.51 1de2 h PRO 71 Cb 1.28 0.00 -0.13 0.00 0.11 0.00 0.00 31.00 32.27 1de2 h PRO 71 CO 0.76 0.00 -0.22 -0.40 -0.21 0.00 0.00 178.00 177.93 1de2 n ASP 72 N -3.99 -1.32 0.00 -2.05 5.75 -1.26 -3.41 116.55 110.26 1de2 n ASP 72 Ca 0.32 -2.06 0.00 0.00 -0.01 0.00 0.00 54.79 53.04 1de2 n ASP 72 Cb 1.54 0.67 0.00 0.00 -1.03 0.00 0.00 41.12 42.29 1de2 n ASP 72 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1de2 n GLY 73 N -1.11 2.81 3.31 6.12 0.00 -1.14 -5.17 105.19 110.02 1de2 n GLY 73 Ca -0.13 -0.37 -0.19 0.00 0.00 0.00 0.00 46.02 45.33 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 1.05 1.51 -0.07 1.61 0.01 -1.26 -4.80 113.70 111.75 1de2 s SER 74 Ca 0.00 -1.63 -0.36 0.00 1.31 0.00 0.00 55.95 55.27 1de2 s SER 74 Cb 0.00 0.47 -0.14 0.00 0.21 0.00 0.00 66.02 66.56 1de2 s SER 74 CO 0.00 -0.96 1.72 1.57 0.41 0.00 0.00 173.24 175.99 1de2 n HIS 75 N -0.59 2.15 -0.01 2.43 -0.00 -1.26 -0.05 115.22 117.89 1de2 n HIS 75 Ca 0.03 0.26 -0.21 0.00 0.46 0.00 0.00 57.72 58.26 1de2 n HIS 75 Cb 0.64 -2.55 -0.13 0.00 -0.12 0.00 0.00 29.99 27.82 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 4.79 1.09 0.00 3.57 2.04 -1.78 -3.45 117.51 123.77 1de2 h ILE 76 Ca -0.47 -2.37 0.00 0.00 1.00 0.00 0.00 64.86 63.01 1de2 h ILE 76 Cb 1.29 2.72 0.00 0.00 -0.74 0.00 0.00 36.82 40.09 1de2 h ILE 76 CO 0.92 0.65 0.00 0.61 0.00 0.00 0.00 178.15 180.33 1de2 n GLY 77 N 1.69 0.63 0.00 5.37 0.00 -1.21 -4.63 105.19 107.04 1de2 n GLY 77 Ca -0.24 -1.76 0.00 0.00 0.00 0.00 0.00 46.02 44.01 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 0.94 0.00 -0.02 0.00 -1.26 0.58 105.19 105.42 1de2 n GLY 78 Ca 0.00 -1.76 0.00 0.00 0.00 0.00 0.00 46.02 44.26 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 7.35 -1.26 -1.52 117.46 123.45 1de2 n PHE 79 Ca 0.00 0.00 -0.04 0.00 -0.76 0.00 0.00 57.45 56.65 1de2 n PHE 79 Cb 0.00 -0.47 0.06 0.00 0.35 0.00 0.00 39.48 39.42 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 0.48 -0.83 -2.13 1.82 -1.96 -0.32 116.42 113.49 1de2 h ASP 80 Ca 0.00 0.02 0.22 0.00 -0.39 0.00 0.00 57.03 56.88 1de2 h ASP 80 Cb 0.00 -0.08 -0.04 0.00 0.68 0.00 0.00 39.33 39.89 1de2 h ASP 80 CO 0.00 0.33 0.58 -0.61 -1.61 0.00 0.00 179.24 177.93 1de2 h GLN 81 N 0.61 0.13 0.12 0.28 5.75 -1.93 0.15 115.11 120.24 1de2 h GLN 81 Ca 0.25 -0.01 -0.28 0.00 -0.15 0.00 0.00 58.65 58.46 1de2 h GLN 81 Cb 0.11 -0.03 0.00 0.00 1.07 0.00 0.00 27.48 28.64 1de2 h GLN 81 CO -0.15 0.09 -1.29 1.25 -2.65 0.00 0.00 178.83 176.08 1de2 h LEU 82 N 0.13 0.41 -1.96 -2.39 6.46 0.00 -3.20 115.31 114.77 1de2 h LEU 82 Ca 0.41 -0.46 0.22 0.00 -0.12 0.00 0.00 57.88 57.93 1de2 h LEU 82 Cb 1.39 -0.13 -0.03 0.00 -0.73 0.00 0.00 40.66 41.16 1de2 h LEU 82 CO -0.06 1.36 0.57 -0.09 -0.62 0.00 0.00 178.44 179.60 1de2 h ARG 83 N 0.07 0.04 -0.24 1.25 2.43 0.20 1.54 114.38 119.67 1de2 h ARG 83 Ca -0.15 -0.00 -0.12 0.00 -0.81 0.00 0.00 59.98 58.90 1de2 h ARG 83 Cb 1.98 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 31.51 1de2 h ARG 83 CO 0.20 0.02 -0.35 1.49 -1.51 0.00 0.00 179.97 179.82 1de2 h GLU 84 N 0.04 0.52 -0.39 0.20 4.81 -1.49 1.01 114.58 119.27 1de2 h GLU 84 Ca 0.38 -0.24 -0.03 0.00 -0.13 0.00 0.00 59.36 59.34 1de2 h GLU 84 Cb 1.47 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 30.82 1de2 h GLU 84 CO -0.02 0.80 0.11 -0.92 -0.73 0.00 0.00 179.01 178.25 1de2 h TYR 85 N 0.44 0.57 0.00 0.92 5.03 0.21 -3.32 116.97 120.81 1de2 h TYR 85 Ca 0.05 -0.03 0.00 0.00 2.58 0.00 0.00 58.73 61.33 1de2 h TYR 85 Cb 0.82 -0.18 0.00 0.00 1.55 0.00 0.00 36.73 38.92 1de2 h TYR 85 CO 0.03 0.48 0.00 1.19 -1.32 0.00 0.00 178.16 178.54 1de2 n PHE 86 N -4.35 0.00 -0.48 -3.82 3.72 -0.59 -5.13 117.46 106.81 1de2 n PHE 86 Ca 0.02 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.42 1de2 n PHE 86 Cb 0.18 -0.30 0.00 0.00 -0.94 0.00 0.00 39.48 38.41 1de2 n PHE 86 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34