#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1de1 s PHE 2 N 0.00 1.92 -0.10 1.12 0.40 -0.87 -4.15 117.98 116.31 1de1 s PHE 2 Ca 0.00 1.59 0.00 0.00 -0.60 0.00 0.00 56.93 57.92 1de1 s PHE 2 Cb 0.00 -3.58 0.02 0.00 0.51 0.00 0.00 43.02 39.98 1de1 s PHE 2 CO 0.00 -2.88 -0.08 0.15 0.70 0.00 0.00 175.22 173.10 1de1 s LYS 3 N -3.81 1.52 -0.12 0.44 3.01 -0.78 0.49 119.74 120.48 1de1 s LYS 3 Ca 0.77 -0.28 -0.04 0.00 -1.01 0.00 0.00 55.97 55.41 1de1 s LYS 3 Cb -0.32 -1.50 -0.04 0.00 -1.01 0.00 0.00 37.83 34.96 1de1 s LYS 3 CO 0.46 -0.19 0.03 0.08 0.51 0.00 0.00 175.35 176.24 1de1 s VAL 4 N 1.44 4.56 -0.39 3.17 1.01 -0.53 0.93 120.40 130.59 1de1 s VAL 4 Ca -0.00 -0.14 -0.01 0.00 0.00 0.00 0.00 61.98 61.83 1de1 s VAL 4 Cb -0.13 -2.97 0.11 0.00 0.00 0.00 0.00 36.38 33.39 1de1 s VAL 4 CO -0.05 0.57 0.16 -0.31 0.00 0.00 0.00 175.10 175.47 1de1 s TYR 5 N -0.51 3.64 0.00 5.22 1.51 0.52 0.15 117.35 127.87 1de1 s TYR 5 Ca 0.10 -2.63 0.00 0.00 -1.01 0.00 0.00 57.07 53.53 1de1 s TYR 5 Cb -0.12 -3.13 0.00 0.00 -0.11 0.00 0.00 41.96 38.60 1de1 s TYR 5 CO 0.02 -0.96 0.00 0.41 -1.11 0.00 0.00 175.55 173.91 1de1 n GLY 6 N 4.43 3.65 3.36 0.71 0.00 0.82 0.90 105.19 119.07 1de1 n GLY 6 Ca 0.00 -0.16 -0.30 0.00 0.00 0.00 0.00 46.02 45.57 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 0.76 2.30 -0.03 1.61 2.02 -1.26 -1.13 117.35 121.62 1de1 s TYR 7 Ca 0.00 -0.40 -0.13 0.00 -0.37 0.00 0.00 57.07 56.17 1de1 s TYR 7 Cb 0.00 -1.32 -0.05 0.00 -0.40 0.00 0.00 41.96 40.18 1de1 s TYR 7 CO 0.00 0.21 0.36 0.34 -1.57 0.00 0.00 175.55 174.89 1de1 s ASP 8 N -1.57 6.73 0.60 2.29 2.15 -1.26 -4.86 116.67 120.75 1de1 s ASP 8 Ca 0.12 0.86 0.28 0.00 0.43 0.00 0.00 52.55 54.25 1de1 s ASP 8 Cb -0.10 -2.22 1.46 0.00 -0.30 0.00 0.00 42.92 41.76 1de1 s ASP 8 CO 0.04 0.33 1.86 0.77 -0.17 0.00 0.00 175.17 178.00 1de1 h SER 9 N 4.81 0.00 -0.12 -0.34 4.64 -1.88 0.59 113.55 121.26 1de1 h SER 9 Ca -0.52 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 60.65 1de1 h SER 9 Cb 1.22 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 63.32 1de1 h SER 9 CO 0.61 0.00 -0.50 -1.13 -0.87 0.00 0.00 176.83 174.94 1de1 h ASN 10 N 0.00 0.64 0.08 4.97 -0.73 -2.00 -3.37 115.58 115.18 1de1 h ASN 10 Ca 0.18 -0.63 -0.31 0.00 1.87 0.00 0.00 56.30 57.41 1de1 h ASN 10 Cb 1.17 -0.19 -0.02 0.00 0.27 0.00 0.00 38.32 39.55 1de1 h ASN 10 CO -0.00 1.17 -1.69 0.40 -0.37 0.00 0.00 177.43 176.93 1de1 h ILE 11 N 0.16 0.76 -3.88 2.57 1.08 -1.35 -3.49 117.51 113.37 1de1 h ILE 11 Ca -0.03 -2.29 -0.10 0.00 -0.39 0.00 0.00 64.86 62.05 1de1 h ILE 11 Cb 1.14 2.41 -0.15 0.00 -3.07 0.00 0.00 36.82 37.15 1de1 h ILE 11 CO 0.10 0.67 -0.48 -2.28 -0.69 0.00 0.00 178.15 175.48 1de1 s HIS 12 N -2.48 0.23 0.65 1.37 2.46 0.19 -4.62 115.29 113.08 1de1 s HIS 12 Ca -0.25 -0.64 -0.11 0.00 0.47 0.00 0.00 55.06 54.53 1de1 s HIS 12 Cb 0.06 -0.15 -0.02 0.00 -0.13 0.00 0.00 32.58 32.34 1de1 s HIS 12 CO 0.70 -0.46 1.05 0.15 -2.47 0.00 0.00 174.74 173.72 1de1 s LYS 13 N -3.46 3.37 -0.30 2.88 -0.14 -1.26 -2.78 119.74 118.05 1de1 s LYS 13 Ca 0.02 0.66 -0.10 0.00 -1.36 0.00 0.00 55.97 55.19 1de1 s LYS 13 Cb 0.04 -2.06 0.17 0.00 -1.68 0.00 0.00 37.83 34.30 1de1 s LYS 13 CO -0.09 -0.71 0.89 0.00 -0.76 0.00 0.00 175.35 174.68 1de1 n VAL 15 N 5.32 1.48 0.39 0.00 0.24 -1.26 -4.01 118.33 120.48 1de1 n VAL 15 Ca -0.06 -0.77 0.12 0.00 -2.04 0.00 0.00 64.34 61.59 1de1 n VAL 15 Cb 0.52 -0.94 0.17 0.00 -1.47 0.00 0.00 33.84 32.12 1de1 n VAL 15 CO 0.00 0.00 0.00 1.88 -2.14 0.00 0.00 176.83 176.57 1de1 h TYR 16 N 0.00 0.00 -0.54 6.34 0.05 -2.00 -3.32 116.97 117.51 1de1 h TYR 16 Ca -0.26 0.00 -0.12 0.00 0.05 0.00 0.00 58.73 58.41 1de1 h TYR 16 Cb 1.89 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 39.62 1de1 h TYR 16 CO 0.00 0.00 -0.12 0.00 -1.05 0.00 0.00 178.16 176.99 1de1 h ASP 18 N 0.91 0.00 0.30 0.00 1.82 -1.73 -2.89 116.42 114.83 1de1 h ASP 18 Ca 0.14 0.00 -0.01 0.00 -0.39 0.00 0.00 57.03 56.76 1de1 h ASP 18 Cb 0.69 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.70 1de1 h ASP 18 CO 0.05 0.18 -0.14 0.78 -1.61 0.00 0.00 179.24 178.50 1de1 h ASN 19 N 0.00 -0.34 -0.74 2.28 2.35 -1.60 -2.18 115.58 115.35 1de1 h ASN 19 Ca -0.00 -0.20 0.12 0.00 -0.55 0.00 0.00 56.30 55.67 1de1 h ASN 19 Cb 0.41 0.09 -0.08 0.00 0.05 0.00 0.00 38.32 38.78 1de1 h ASN 19 CO 0.02 0.10 0.33 0.00 -1.65 0.00 0.00 177.43 176.23 1de1 h ALA 20 N -0.43 1.03 0.26 -0.83 0.00 -1.46 -0.15 119.26 117.68 1de1 h ALA 20 Ca -0.04 0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 1de1 h ALA 20 Cb 0.52 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1de1 h ALA 20 CO 0.07 -0.14 -0.12 -0.22 0.00 0.00 0.00 179.25 178.83 1de1 h LYS 21 N 0.51 -0.33 -0.87 0.00 3.64 -1.55 -2.24 116.57 115.72 1de1 h LYS 21 Ca 0.39 0.02 0.08 0.00 -1.27 0.00 0.00 60.65 59.87 1de1 h LYS 21 Cb 0.52 0.08 -0.06 0.00 -0.41 0.00 0.00 32.23 32.36 1de1 h LYS 21 CO -0.35 -0.21 0.57 -0.09 -2.27 0.00 0.00 179.45 177.10 1de1 h ARG 22 N -0.36 0.88 0.17 1.90 2.43 -0.71 -1.75 114.38 116.93 1de1 h ARG 22 Ca -0.04 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.08 1de1 h ARG 22 Cb 0.28 -0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 29.62 1de1 h ARG 22 CO 0.06 0.59 -0.14 1.25 -1.51 0.00 0.00 179.97 180.21 1de1 h LEU 23 N 0.91 -0.37 -0.37 3.80 6.46 -0.68 -1.43 115.31 123.63 1de1 h LEU 23 Ca 0.39 0.03 0.04 0.00 -0.12 0.00 0.00 57.88 58.22 1de1 h LEU 23 Cb 0.32 0.12 -0.04 0.00 -0.73 0.00 0.00 40.66 40.34 1de1 h LEU 23 CO -0.16 -0.22 0.16 -0.07 -0.62 0.00 0.00 178.44 177.53 1de1 h LEU 24 N -0.33 0.21 -1.66 2.25 3.38 -0.83 0.11 115.31 118.44 1de1 h LEU 24 Ca -0.00 0.03 0.10 0.00 0.09 0.00 0.00 57.88 58.10 1de1 h LEU 24 Cb 0.30 -0.01 -0.04 0.00 0.09 0.00 0.00 40.66 41.01 1de1 h LEU 24 CO -0.02 0.16 0.40 0.74 0.09 0.00 0.00 178.44 179.82 1de1 h THR 25 N 0.34 0.88 0.01 0.22 2.02 -1.11 0.14 112.91 115.40 1de1 h THR 25 Ca 0.16 -0.13 -0.20 0.00 0.77 0.00 0.00 66.41 67.02 1de1 h THR 25 Cb 0.10 0.47 -0.03 0.00 -1.74 0.00 0.00 68.15 66.96 1de1 h THR 25 CO -0.14 0.07 -0.93 0.58 0.37 0.00 0.00 175.52 175.46 1de1 h VAL 26 N 0.37 1.64 0.00 3.16 2.07 -0.08 -3.15 116.25 120.27 1de1 h VAL 26 Ca 0.28 -3.12 0.00 0.00 0.82 0.00 0.00 66.70 64.68 1de1 h VAL 26 Cb 0.59 2.70 0.00 0.00 -1.52 0.00 0.00 31.29 33.06 1de1 h VAL 26 CO -0.07 0.89 -0.12 0.29 0.02 0.00 0.00 177.57 178.58 1de1 n LYS 27 N -3.46 0.05 -2.51 1.57 4.76 0.24 -4.96 118.16 113.86 1de1 n LYS 27 Ca -0.01 0.03 -0.08 0.00 -2.87 0.00 0.00 58.31 55.39 1de1 n LYS 27 Cb 0.88 -1.55 0.04 0.00 -1.84 0.00 0.00 35.03 32.55 1de1 n LYS 27 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1de1 n LYS 28 N -1.63 -1.25 -3.85 1.97 4.76 0.26 -5.06 118.16 113.36 1de1 n LYS 28 Ca 0.06 0.56 -0.12 0.00 -2.87 0.00 0.00 58.31 55.94 1de1 n LYS 28 Cb 0.36 -4.02 -0.14 0.00 -1.84 0.00 0.00 35.03 29.39 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 -3.73 0.06 0.23 1.97 -1.52 -1.10 -5.06 119.66 110.52 1de1 s GLN 29 Ca 0.24 0.08 -0.30 0.00 -1.95 0.00 0.00 55.36 53.43 1de1 s GLN 29 Cb -0.03 0.02 -0.09 0.00 -0.22 0.00 0.00 33.01 32.69 1de1 s GLN 29 CO 0.43 -0.01 0.93 -1.25 -0.25 0.00 0.00 175.29 175.14 1de1 s PRO 30 N 0.07 4.84 0.26 2.91 0.04 -1.26 -4.57 135.00 137.29 1de1 s PRO 30 Ca -0.00 1.47 -0.14 0.00 0.04 0.00 0.00 61.00 62.37 1de1 s PRO 30 Cb -0.01 -3.28 0.00 0.00 0.04 0.00 0.00 34.50 31.25 1de1 s PRO 30 CO -0.00 0.52 0.53 -0.59 0.04 0.00 0.00 177.00 177.49 1de1 s PHE 31 N -1.15 0.29 -0.02 0.56 -0.71 -1.26 -2.05 117.98 113.64 1de1 s PHE 31 Ca 0.41 -0.67 -0.02 0.00 -1.04 0.00 0.00 56.93 55.60 1de1 s PHE 31 Cb -0.26 0.28 0.00 0.00 -1.21 0.00 0.00 43.02 41.84 1de1 s PHE 31 CO 0.32 -1.06 0.06 -2.00 -1.34 0.00 0.00 175.22 171.20 1de1 s GLU 32 N -3.92 0.14 0.41 1.99 2.12 0.18 -4.83 118.70 114.78 1de1 s GLU 32 Ca 0.21 -0.04 -0.04 0.00 0.36 0.00 0.00 54.97 55.45 1de1 s GLU 32 Cb -0.02 0.06 -0.04 0.00 0.26 0.00 0.00 34.13 34.39 1de1 s GLU 32 CO 0.09 -0.02 0.68 0.12 -0.54 0.00 0.00 175.26 175.59 1de1 s PHE 33 N -0.28 3.52 -0.13 5.30 5.36 -1.26 -1.45 117.98 129.05 1de1 s PHE 33 Ca -0.03 0.69 -0.05 0.00 -0.96 0.00 0.00 56.93 56.58 1de1 s PHE 33 Cb -0.02 -2.18 0.07 0.00 -0.34 0.00 0.00 43.02 40.54 1de1 s PHE 33 CO 0.00 -0.08 0.27 0.42 -1.46 0.00 0.00 175.22 174.37 1de1 s ILE 34 N -2.49 -0.42 -0.22 3.12 1.01 0.38 -4.75 121.20 117.84 1de1 s ILE 34 Ca 0.45 0.27 -0.11 0.00 0.00 0.00 0.00 60.65 61.27 1de1 s ILE 34 Cb -0.10 -0.45 -0.05 0.00 0.01 0.00 0.00 42.46 41.87 1de1 s ILE 34 CO 0.39 0.11 0.16 0.54 0.00 0.00 0.00 174.94 176.14 1de1 s ASN 35 N 2.40 6.18 0.00 3.58 4.22 -1.26 -0.12 114.94 129.93 1de1 s ASN 35 Ca 0.01 0.19 0.29 0.00 -2.14 0.00 0.00 52.86 51.21 1de1 s ASN 35 Cb -0.12 -2.11 1.26 0.00 1.28 0.00 0.00 41.25 41.56 1de1 s ASN 35 CO -0.09 0.11 1.92 2.30 -2.04 0.00 0.00 177.10 179.30 1de1 n ILE 36 N 3.94 0.00 -3.84 0.54 -5.35 -0.28 -4.50 119.36 109.87 1de1 n ILE 36 Ca -0.15 -0.00 -0.30 0.00 -0.27 0.00 0.00 62.75 62.03 1de1 n ILE 36 Cb 0.52 -0.42 -0.14 0.00 -1.74 0.00 0.00 39.64 37.85 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 -2.86 1.31 0.00 6.28 0.00 -1.26 -0.92 119.30 121.85 1de1 s MET 37 Ca 0.18 -1.83 0.28 0.00 0.00 0.00 0.00 55.69 54.32 1de1 s MET 37 Cb 0.19 -2.65 1.63 0.00 0.00 0.00 0.00 34.83 34.00 1de1 s MET 37 CO 0.52 -1.05 2.05 -0.35 0.00 0.00 0.00 175.02 176.20 1de1 n PRO 38 N 4.00 1.03 -3.85 4.11 -0.04 -1.26 -4.75 135.00 134.24 1de1 n PRO 38 Ca 0.04 -0.04 -0.14 0.00 -0.04 0.00 0.00 63.50 63.32 1de1 n PRO 38 Cb 0.38 -1.43 -0.15 0.00 -0.04 0.00 0.00 33.50 32.26 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 -2.00 0.02 0.00 0.54 8.01 -1.26 -5.01 118.70 119.00 1de1 s GLU 39 Ca 0.41 0.07 0.04 0.00 0.01 0.00 0.00 54.97 55.50 1de1 s GLU 39 Cb 0.19 -0.14 0.18 0.00 -4.31 0.00 0.00 34.13 30.05 1de1 s GLU 39 CO 0.32 -0.07 1.10 1.63 0.01 0.00 0.00 175.26 178.25 1de1 n LYS 40 N 3.56 0.01 -0.04 1.61 5.02 -1.26 -2.95 118.16 124.11 1de1 n LYS 40 Ca -0.19 0.40 -0.01 0.00 -2.02 0.00 0.00 58.31 56.49 1de1 n LYS 40 Cb 0.56 -1.50 -0.00 0.00 -0.02 0.00 0.00 35.03 34.06 1de1 n LYS 40 CO 0.00 0.00 0.00 0.78 -0.52 0.00 0.00 177.40 177.66 1de1 h GLY 41 N 0.70 0.00 -4.36 0.72 0.00 -1.95 -3.50 103.07 94.68 1de1 h GLY 41 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 47.21 1de1 h GLY 41 CO 0.00 0.00 -0.39 0.14 0.00 0.00 0.00 176.54 176.29 1de1 s VAL 42 N -1.51 0.09 0.98 4.60 1.01 -1.15 -5.16 120.40 119.24 1de1 s VAL 42 Ca -0.04 -0.71 -0.12 0.00 0.00 0.00 0.00 61.98 61.11 1de1 s VAL 42 Cb 0.00 -0.67 0.18 0.00 0.00 0.00 0.00 36.38 35.89 1de1 s VAL 42 CO 0.05 -0.39 1.09 0.72 0.00 0.00 0.00 175.10 176.57 1de1 s PHE 43 N -1.84 2.05 -0.35 5.22 -0.12 -1.26 -4.04 117.98 117.65 1de1 s PHE 43 Ca -0.11 1.18 -0.13 0.00 -0.05 0.00 0.00 56.93 57.82 1de1 s PHE 43 Cb -0.04 -3.20 -0.01 0.00 -0.63 0.00 0.00 43.02 39.14 1de1 s PHE 43 CO 0.00 -2.83 0.24 -0.51 -0.05 0.00 0.00 175.22 172.08 1de1 s ASP 44 N -3.26 6.04 0.55 1.98 1.11 -0.10 -4.91 116.67 118.08 1de1 s ASP 44 Ca 0.65 -0.47 0.33 0.00 0.18 0.00 0.00 52.55 53.24 1de1 s ASP 44 Cb -0.19 -2.13 1.82 0.00 1.07 0.00 0.00 42.92 43.48 1de1 s ASP 44 CO 0.58 -0.25 2.02 -0.78 1.18 0.00 0.00 175.17 177.92 1de1 h ASP 45 N 8.49 0.00 0.34 0.27 1.82 -1.95 -2.56 116.42 122.84 1de1 h ASP 45 Ca -0.31 0.00 -0.01 0.00 -0.39 0.00 0.00 57.03 56.32 1de1 h ASP 45 Cb 1.15 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 41.15 1de1 h ASP 45 CO 0.64 0.00 -0.26 -0.33 -1.61 0.00 0.00 179.24 177.68 1de1 h GLU 46 N 0.00 -0.58 -0.25 0.28 5.08 -1.94 0.13 114.58 117.30 1de1 h GLU 46 Ca 0.00 0.04 -0.16 0.00 -1.00 0.00 0.00 59.36 58.24 1de1 h GLU 46 Cb 0.17 0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.55 1de1 h GLU 46 CO 0.00 -0.39 -0.49 0.87 -1.00 0.00 0.00 179.01 178.00 1de1 h LYS 47 N -0.60 0.68 -0.48 2.33 1.79 -1.80 -2.97 116.57 115.51 1de1 h LYS 47 Ca -0.03 -0.40 0.07 0.00 -2.18 0.00 0.00 60.65 58.11 1de1 h LYS 47 Cb 0.52 0.03 -0.06 0.00 -1.58 0.00 0.00 32.23 31.15 1de1 h LYS 47 CO -0.01 1.01 0.17 0.82 -1.08 0.00 0.00 179.45 180.36 1de1 h ILE 48 N 0.54 0.83 0.33 1.86 1.08 -1.29 0.31 117.51 121.17 1de1 h ILE 48 Ca 0.03 -0.12 -0.02 0.00 -0.39 0.00 0.00 64.86 64.36 1de1 h ILE 48 Cb 1.04 0.46 0.00 0.00 -3.07 0.00 0.00 36.82 35.26 1de1 h ILE 48 CO 0.10 0.06 -0.16 0.00 -0.69 0.00 0.00 178.15 177.46 1de1 h ALA 49 N 1.33 -0.45 -0.95 1.87 0.00 -0.70 -1.91 119.26 118.46 1de1 h ALA 49 Ca 0.23 -0.11 0.06 0.00 0.00 0.00 0.00 54.91 55.09 1de1 h ALA 49 Cb 0.25 0.17 -0.06 0.00 0.00 0.00 0.00 17.79 18.14 1de1 h ALA 49 CO -0.24 -0.73 0.61 1.49 0.00 0.00 0.00 179.25 180.37 1de1 h GLU 50 N -0.48 1.08 -0.33 0.00 4.81 -1.32 -2.10 114.58 116.24 1de1 h GLU 50 Ca -0.05 -0.06 0.05 0.00 -0.13 0.00 0.00 59.36 59.17 1de1 h GLU 50 Cb 0.36 -0.24 -0.05 0.00 0.63 0.00 0.00 28.75 29.45 1de1 h GLU 50 CO 0.07 0.71 0.03 1.25 -0.73 0.00 0.00 179.01 180.35 1de1 h LEU 51 N 1.11 -0.06 -0.33 1.64 5.85 -0.07 0.91 115.31 124.36 1de1 h LEU 51 Ca 0.41 0.07 0.06 0.00 0.84 0.00 0.00 57.88 59.25 1de1 h LEU 51 Cb 0.15 0.10 -0.06 0.00 0.37 0.00 0.00 40.66 41.23 1de1 h LEU 51 CO -0.17 0.01 -0.03 -0.07 -0.34 0.00 0.00 178.44 177.84 1de1 h LEU 52 N 0.14 -0.20 -1.45 2.25 3.38 -0.67 0.09 115.31 118.85 1de1 h LEU 52 Ca 0.16 0.09 -0.02 0.00 0.09 0.00 0.00 57.88 58.19 1de1 h LEU 52 Cb 0.20 0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.09 1de1 h LEU 52 CO -0.24 -0.06 0.12 0.74 0.09 0.00 0.00 178.44 179.09 1de1 h THR 53 N 0.06 1.15 0.00 0.22 2.02 -1.08 -1.21 112.91 114.06 1de1 h THR 53 Ca 0.16 -0.47 -0.08 0.00 0.77 0.00 0.00 66.41 66.79 1de1 h THR 53 Cb 0.23 0.75 -0.01 0.00 -1.74 0.00 0.00 68.15 67.38 1de1 h THR 53 CO -0.30 0.18 -0.36 0.50 0.37 0.00 0.00 175.52 175.91 1de1 h LYS 54 N 0.49 0.00 0.00 6.66 1.63 0.96 -2.45 116.57 123.86 1de1 h LYS 54 Ca 0.12 0.00 -0.08 0.00 -0.85 0.00 0.00 60.65 59.84 1de1 h LYS 54 Cb 0.13 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 31.75 1de1 h LYS 54 CO -0.01 0.36 -0.39 -0.07 -3.45 0.00 0.00 179.45 175.89 1de1 h LEU 55 N 0.00 0.00 -0.17 5.20 3.38 0.17 -3.44 115.31 120.45 1de1 h LEU 55 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1de1 h LEU 55 Cb 0.65 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.40 1de1 h LEU 55 CO 0.05 0.39 0.00 0.61 0.09 0.00 0.00 178.44 179.57 1de1 n GLY 56 N 0.20 0.92 0.00 0.83 0.00 -0.92 -4.97 105.19 101.24 1de1 n GLY 56 Ca -0.00 -0.56 0.00 0.00 0.00 0.00 0.00 46.02 45.45 1de1 n GLY 56 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1de1 n ARG 57 N -0.83 0.00 -0.06 1.61 1.74 -1.24 -5.09 116.66 112.79 1de1 n ARG 57 Ca 0.00 0.00 -0.14 0.00 -0.77 0.00 0.00 57.85 56.94 1de1 n ARG 57 Cb 0.34 0.00 -0.05 0.00 -1.02 0.00 0.00 32.46 31.73 1de1 n ARG 57 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 1de1 n ASP 58 N -1.77 0.91 -4.93 0.55 9.92 -1.26 -4.50 116.55 115.48 1de1 n ASP 58 Ca 0.00 0.16 -0.20 0.00 -0.53 0.00 0.00 54.79 54.22 1de1 n ASP 58 Cb 0.00 -0.38 -0.02 0.00 -0.64 0.00 0.00 41.12 40.08 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 -2.24 3.76 -0.62 -3.53 -1.32 -1.26 -5.00 115.64 105.43 1de1 s THR 59 Ca -0.18 -1.17 -0.18 0.00 -1.21 0.00 0.00 61.69 58.95 1de1 s THR 59 Cb 0.07 -3.29 0.12 0.00 -1.51 0.00 0.00 72.50 67.89 1de1 s THR 59 CO 0.23 -0.16 0.71 -1.10 -2.21 0.00 0.00 174.62 172.09 1de1 s GLN 60 N -4.10 3.11 -1.14 7.08 1.11 -1.26 -4.99 119.66 119.47 1de1 s GLN 60 Ca 0.44 -1.47 -0.21 0.00 0.01 0.00 0.00 55.36 54.13 1de1 s GLN 60 Cb -0.08 -4.32 0.06 0.00 -1.01 0.00 0.00 33.01 27.67 1de1 s GLN 60 CO 0.29 -1.52 1.57 0.42 0.01 0.00 0.00 175.29 176.06 1de1 s ILE 61 N 2.39 4.04 -1.21 1.08 1.01 -1.26 -3.96 121.20 123.30 1de1 s ILE 61 Ca 0.12 -1.31 0.00 0.00 0.00 0.00 0.00 60.65 59.47 1de1 s ILE 61 Cb -0.23 -5.11 0.00 0.00 0.01 0.00 0.00 42.46 37.13 1de1 s ILE 61 CO 0.04 -1.97 0.00 0.61 0.00 0.00 0.00 174.94 173.62 1de1 n GLY 62 N 6.18 0.29 3.61 6.18 0.00 -1.26 -4.96 105.19 115.23 1de1 n GLY 62 Ca 0.40 -0.36 -0.37 0.00 0.00 0.00 0.00 46.02 45.69 1de1 n GLY 62 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1de1 n LEU 63 N -1.77 3.72 -3.93 0.99 0.00 -1.25 -5.02 117.00 109.73 1de1 n LEU 63 Ca -0.15 0.77 -0.09 0.00 0.00 0.00 0.00 56.01 56.53 1de1 n LEU 63 Cb 0.56 -1.39 -0.07 0.00 0.00 0.00 0.00 43.42 42.52 1de1 n LEU 63 CO 0.19 -1.92 0.01 0.42 0.00 0.00 0.00 177.39 176.09 1de1 s THR 64 N -1.58 0.07 0.07 1.96 -4.23 -1.26 -5.14 115.64 105.53 1de1 s THR 64 Ca 0.76 -1.30 0.09 0.00 -1.18 0.00 0.00 61.69 60.07 1de1 s THR 64 Cb -0.40 -1.77 -0.03 0.00 1.34 0.00 0.00 72.50 71.64 1de1 s THR 64 CO 0.47 -0.30 -0.25 -0.04 -0.54 0.00 0.00 174.62 173.96 1de1 s MET 65 N -3.95 1.73 0.36 3.99 -1.94 -1.26 -3.91 119.30 114.32 1de1 s MET 65 Ca 0.15 -1.16 -0.16 0.00 -1.71 0.00 0.00 55.69 52.82 1de1 s MET 65 Cb 0.03 -2.00 -0.09 0.00 2.01 0.00 0.00 34.83 34.78 1de1 s MET 65 CO -0.01 0.50 0.79 -1.25 -0.01 0.00 0.00 175.02 175.03 1de1 s PRO 66 N -1.55 4.01 -0.26 2.03 0.05 -1.26 -5.02 135.00 133.01 1de1 s PRO 66 Ca 0.13 0.73 -0.06 0.00 0.05 0.00 0.00 61.00 61.86 1de1 s PRO 66 Cb -0.10 -2.37 -0.01 0.00 0.05 0.00 0.00 34.50 32.07 1de1 s PRO 66 CO 0.04 0.09 0.03 -1.14 0.05 0.00 0.00 177.00 176.06 1de1 s GLN 67 N -3.16 3.31 0.50 4.56 2.00 0.26 -4.16 119.66 122.97 1de1 s GLN 67 Ca 0.55 -0.69 0.00 0.00 -2.00 0.00 0.00 55.36 53.23 1de1 s GLN 67 Cb -0.10 -3.21 0.01 0.00 0.80 0.00 0.00 33.01 30.51 1de1 s GLN 67 CO 0.19 -0.29 0.73 0.08 -0.50 0.00 0.00 175.29 175.49 1de1 s VAL 68 N 1.51 3.43 -0.03 1.34 1.01 -0.32 0.19 120.40 127.53 1de1 s VAL 68 Ca 0.04 -0.54 -0.03 0.00 0.00 0.00 0.00 61.98 61.46 1de1 s VAL 68 Cb -0.16 -3.28 0.01 0.00 0.00 0.00 0.00 36.38 32.95 1de1 s VAL 68 CO 0.00 -0.20 0.09 -0.36 0.00 0.00 0.00 175.10 174.63 1de1 s PHE 69 N -2.67 -0.09 0.60 5.22 0.08 0.27 -2.69 117.98 118.69 1de1 s PHE 69 Ca 0.52 0.23 -0.18 0.00 0.12 0.00 0.00 56.93 57.62 1de1 s PHE 69 Cb -0.10 0.03 -0.06 0.00 -0.57 0.00 0.00 43.02 42.32 1de1 s PHE 69 CO 0.38 -0.05 0.79 0.00 -0.10 0.00 0.00 175.22 176.24 1de1 n ALA 70 N 3.01 -0.36 0.17 5.36 0.00 0.29 -1.87 120.51 127.10 1de1 n ALA 70 Ca -0.12 -0.02 0.10 0.00 0.00 0.00 0.00 53.44 53.39 1de1 n ALA 70 Cb 0.59 -2.00 0.61 0.00 0.00 0.00 0.00 19.45 18.66 1de1 n ALA 70 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1de1 h PRO 71 N 0.33 0.09 0.00 0.00 0.11 -1.91 -1.87 132.00 128.75 1de1 h PRO 71 Ca -0.47 -0.01 -0.11 0.00 0.11 0.00 0.00 66.00 65.52 1de1 h PRO 71 Cb 1.38 -0.02 -0.02 0.00 0.11 0.00 0.00 31.00 32.45 1de1 h PRO 71 CO 0.49 0.06 -1.39 -0.40 -0.21 0.00 0.00 178.00 176.55 1de1 n ASP 72 N -4.50 0.74 0.00 -2.05 5.68 -1.26 -3.67 116.55 111.49 1de1 n ASP 72 Ca 0.00 0.31 0.00 0.00 -0.50 0.00 0.00 54.79 54.61 1de1 n ASP 72 Cb 0.18 0.45 0.00 0.00 -1.14 0.00 0.00 41.12 40.61 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 1.34 1.58 3.56 6.12 0.00 -0.70 -5.13 105.19 111.95 1de1 n GLY 73 Ca -0.07 -0.47 -0.06 0.00 0.00 0.00 0.00 46.02 45.41 1de1 n GLY 73 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1de1 s SER 74 N 0.00 -0.24 -0.45 1.61 0.15 -1.25 -4.84 113.70 108.67 1de1 s SER 74 Ca 0.00 0.03 -0.23 0.00 0.70 0.00 0.00 55.95 56.45 1de1 s SER 74 Cb 0.00 0.25 0.03 0.00 -1.71 0.00 0.00 66.02 64.58 1de1 s SER 74 CO 0.00 -0.39 0.78 -2.28 1.20 0.00 0.00 173.24 172.55 1de1 s HIS 75 N -2.56 3.00 -0.17 3.44 2.46 -1.26 0.10 115.29 120.30 1de1 s HIS 75 Ca 0.07 0.15 -0.23 0.00 0.47 0.00 0.00 55.06 55.52 1de1 s HIS 75 Cb -0.01 -3.64 -0.21 0.00 -0.13 0.00 0.00 32.58 28.59 1de1 s HIS 75 CO -0.06 -0.98 0.44 0.82 -2.47 0.00 0.00 174.74 172.49 1de1 h ILE 76 N 5.97 1.23 0.00 0.89 2.04 -1.85 -3.47 117.51 122.33 1de1 h ILE 76 Ca -0.25 -2.16 0.00 0.00 1.00 0.00 0.00 64.86 63.46 1de1 h ILE 76 Cb 1.09 2.56 0.00 0.00 -0.74 0.00 0.00 36.82 39.73 1de1 h ILE 76 CO 0.96 0.42 0.00 0.61 0.00 0.00 0.00 178.15 180.13 1de1 n GLY 77 N 1.53 0.58 0.00 5.37 0.00 -1.24 -4.51 105.19 106.93 1de1 n GLY 77 Ca -0.20 -2.00 0.00 0.00 0.00 0.00 0.00 46.02 43.82 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 1.15 0.00 -0.02 0.00 -1.26 -1.18 105.19 103.88 1de1 n GLY 78 Ca 0.00 -1.53 0.00 0.00 0.00 0.00 0.00 46.02 44.49 1de1 n GLY 78 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1de1 n PHE 79 N 0.00 0.00 -0.19 1.61 7.35 -1.26 -1.96 117.46 123.01 1de1 n PHE 79 Ca 0.00 0.00 -0.01 0.00 -0.76 0.00 0.00 57.45 56.68 1de1 n PHE 79 Cb 0.00 -0.50 0.10 0.00 0.35 0.00 0.00 39.48 39.43 1de1 n PHE 79 CO 0.00 0.00 0.00 0.22 -0.76 0.00 0.00 176.76 176.22 1de1 h ASP 80 N 0.00 0.18 -0.72 -2.13 1.82 -1.99 0.14 116.42 113.72 1de1 h ASP 80 Ca 0.00 0.08 0.13 0.00 -0.39 0.00 0.00 57.03 56.85 1de1 h ASP 80 Cb 0.00 0.07 -0.05 0.00 0.68 0.00 0.00 39.33 40.03 1de1 h ASP 80 CO 0.00 0.12 0.48 1.56 -1.61 0.00 0.00 179.24 179.79 1de1 h GLN 81 N 0.37 0.44 -0.07 0.28 1.08 -1.91 -0.64 115.11 114.67 1de1 h GLN 81 Ca 0.29 -0.03 -0.25 0.00 -1.45 0.00 0.00 58.65 57.22 1de1 h GLN 81 Cb 0.35 -0.10 0.02 0.00 -0.05 0.00 0.00 27.48 27.70 1de1 h GLN 81 CO -0.30 0.29 -0.92 1.25 -0.95 0.00 0.00 178.83 178.20 1de1 h LEU 82 N 0.46 0.90 -1.98 1.46 6.46 -0.13 -3.00 115.31 119.49 1de1 h LEU 82 Ca 0.35 -0.66 0.22 0.00 -0.12 0.00 0.00 57.88 57.66 1de1 h LEU 82 Cb 0.72 -0.27 -0.03 0.00 -0.73 0.00 0.00 40.66 40.35 1de1 h LEU 82 CO -0.11 1.46 0.58 -0.09 -0.62 0.00 0.00 178.44 179.66 1de1 h ARG 83 N 0.45 0.00 -0.09 1.25 2.43 0.52 1.48 114.38 120.42 1de1 h ARG 83 Ca -0.09 0.00 -0.15 0.00 -0.81 0.00 0.00 59.98 58.93 1de1 h ARG 83 Cb 1.56 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 31.10 1de1 h ARG 83 CO 0.18 0.00 -0.58 0.93 -1.51 0.00 0.00 179.97 178.99 1de1 h GLU 84 N 0.00 0.30 -0.10 0.20 5.08 -1.34 1.44 114.58 120.16 1de1 h GLU 84 Ca 0.36 -0.20 -0.08 0.00 -1.00 0.00 0.00 59.36 58.44 1de1 h GLU 84 Cb 1.50 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.77 1de1 h GLU 84 CO -0.00 0.80 -0.28 -0.92 -1.00 0.00 0.00 179.01 177.60 1de1 h TYR 85 N 0.23 0.19 0.00 4.33 5.03 0.20 -3.36 116.97 123.59 1de1 h TYR 85 Ca -0.00 -0.04 0.00 0.00 2.58 0.00 0.00 58.73 61.27 1de1 h TYR 85 Cb 1.09 -0.05 0.00 0.00 1.55 0.00 0.00 36.73 39.32 1de1 h TYR 85 CO 0.03 0.45 0.00 1.19 -1.32 0.00 0.00 178.16 178.51 1de1 n PHE 86 N -4.15 0.00 -0.51 -3.82 3.72 -0.53 -5.12 117.46 107.05 1de1 n PHE 86 Ca -0.01 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.39 1de1 n PHE 86 Cb 0.37 -0.11 0.00 0.00 -0.94 0.00 0.00 39.48 38.81 1de1 n PHE 86 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34