#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 1.39 -0.13 1.12 0.08 -0.79 -3.90 117.98 115.75 1de1 s PHE 2 Ca 0.00 1.15 -0.04 0.00 0.12 0.00 0.00 56.93 58.16 1de1 s PHE 2 Cb 0.00 -3.11 0.06 0.00 -0.57 0.00 0.00 43.02 39.40 1de1 s PHE 2 CO 0.00 -3.85 0.18 0.15 -0.10 0.00 0.00 175.22 171.60 1de1 s LYS 3 N -4.50 0.08 -0.05 0.44 3.01 -0.43 -1.81 119.74 116.49 1de1 s LYS 3 Ca 0.68 0.41 0.01 0.00 -1.01 0.00 0.00 55.97 56.07 1de1 s LYS 3 Cb -0.25 -0.67 -0.03 0.00 -1.01 0.00 0.00 37.83 35.87 1de1 s LYS 3 CO 0.64 -0.44 -0.07 0.08 0.51 0.00 0.00 175.35 176.08 1de1 s VAL 4 N 2.29 3.71 -0.34 3.17 1.01 -0.81 0.16 120.40 129.59 1de1 s VAL 4 Ca 0.04 -0.56 0.03 0.00 0.00 0.00 0.00 61.98 61.49 1de1 s VAL 4 Cb -0.13 -2.55 0.10 0.00 0.00 0.00 0.00 36.38 33.80 1de1 s VAL 4 CO -0.08 0.54 0.08 -0.31 0.00 0.00 0.00 175.10 175.32 1de1 s TYR 5 N -0.87 3.17 0.00 5.22 1.51 0.38 0.13 117.35 126.89 1de1 s TYR 5 Ca 0.14 -2.68 0.00 0.00 -1.01 0.00 0.00 57.07 53.52 1de1 s TYR 5 Cb -0.11 -2.59 0.00 0.00 -0.11 0.00 0.00 41.96 39.15 1de1 s TYR 5 CO 0.03 -0.92 0.00 0.41 -1.11 0.00 0.00 175.55 173.97 1de1 n GLY 6 N 4.33 3.19 3.57 0.71 0.00 -0.69 0.01 105.19 116.31 1de1 n GLY 6 Ca 0.03 -0.26 -0.29 0.00 0.00 0.00 0.00 46.02 45.50 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 -0.37 2.70 -2.09 1.61 2.02 -1.26 -1.33 117.35 118.61 1de1 s TYR 7 Ca 0.00 -0.18 0.30 0.00 -0.37 0.00 0.00 57.07 56.82 1de1 s TYR 7 Cb 0.00 -1.39 1.66 0.00 -0.40 0.00 0.00 41.96 41.83 1de1 s TYR 7 CO 0.00 0.44 2.08 -3.47 -1.57 0.00 0.00 175.55 173.04 1de1 n ASP 8 N 0.54 0.30 0.00 2.29 -0.08 -1.26 -4.88 116.55 113.46 1de1 n ASP 8 Ca -0.13 -1.14 0.00 0.00 -1.51 0.00 0.00 54.79 52.01 1de1 n ASP 8 Cb 0.53 -0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.99 1de1 n ASP 8 CO 0.00 0.00 0.00 -0.24 0.12 0.00 0.00 177.20 177.08 1de1 n SER 9 N -0.74 0.00 0.07 1.67 2.88 -1.19 -4.82 113.62 111.48 1de1 n SER 9 Ca 0.22 0.00 -0.22 0.00 -1.33 0.00 0.00 58.87 57.54 1de1 n SER 9 Cb 0.15 0.00 -0.15 0.00 -0.75 0.00 0.00 64.21 63.47 1de1 n SER 9 CO 0.00 0.00 0.00 0.78 -1.23 0.00 0.00 175.04 174.59 1de1 h ASN 10 N 0.00 0.57 0.34 -3.46 4.21 -1.97 -3.38 115.58 111.90 1de1 h ASN 10 Ca 0.00 -0.86 -0.32 0.00 1.21 0.00 0.00 56.30 56.33 1de1 h ASN 10 Cb 0.00 -0.19 -0.05 0.00 -1.12 0.00 0.00 38.32 36.96 1de1 h ASN 10 CO 0.00 1.72 -1.90 -0.38 -1.29 0.00 0.00 177.43 175.59 1de1 n ILE 11 N -3.56 1.58 -3.86 2.81 5.41 -1.26 -4.94 119.36 115.52 1de1 n ILE 11 Ca -0.23 -0.79 -0.12 0.00 1.00 0.00 0.00 62.75 62.61 1de1 n ILE 11 Cb 1.07 -0.98 -0.13 0.00 -0.71 0.00 0.00 39.64 38.89 1de1 n ILE 11 CO 0.00 0.00 0.00 -2.28 0.00 0.00 0.00 176.55 174.27 1de1 s HIS 12 N -2.57 -0.03 0.45 1.39 2.46 -1.26 -4.88 115.29 110.85 1de1 s HIS 12 Ca -0.08 0.08 -0.23 0.00 0.47 0.00 0.00 55.06 55.30 1de1 s HIS 12 Cb 0.07 -0.01 -0.10 0.00 -0.13 0.00 0.00 32.58 32.42 1de1 s HIS 12 CO 0.82 -0.08 0.93 1.17 -2.47 0.00 0.00 174.74 175.11 1de1 n LYS 13 N 2.72 1.17 -2.67 2.88 4.81 -1.26 -3.18 118.16 122.62 1de1 n LYS 13 Ca -0.15 0.42 0.01 0.00 -0.87 0.00 0.00 58.31 57.73 1de1 n LYS 13 Cb 0.59 -1.98 0.01 0.00 0.02 0.00 0.00 35.03 33.66 1de1 n LYS 13 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1de1 h VAL 15 N 2.97 1.19 0.00 0.00 -1.51 -1.98 -3.16 116.25 113.76 1de1 h VAL 15 Ca -0.05 -2.59 -0.02 0.00 -1.23 0.00 0.00 66.70 62.81 1de1 h VAL 15 Cb 1.24 2.52 -0.00 0.00 -2.13 0.00 0.00 31.29 32.92 1de1 h VAL 15 CO -0.11 0.66 -0.12 1.88 -1.23 0.00 0.00 177.57 178.65 1de1 h TYR 16 N 0.00 0.00 0.85 5.19 -1.99 -2.00 -3.28 116.97 115.73 1de1 h TYR 16 Ca -0.01 0.00 -0.04 0.00 2.00 0.00 0.00 58.73 60.68 1de1 h TYR 16 Cb 1.47 0.00 0.01 0.00 2.00 0.00 0.00 36.73 40.21 1de1 h TYR 16 CO 0.00 0.12 -0.42 0.00 -0.00 0.00 0.00 178.16 177.85 1de1 h ASP 18 N -1.16 0.00 0.06 0.00 3.58 -1.70 -1.72 116.42 115.48 1de1 h ASP 18 Ca -0.12 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.33 1de1 h ASP 18 Cb 0.90 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.95 1de1 h ASP 18 CO 0.18 0.00 -0.03 0.78 -2.88 0.00 0.00 179.24 177.29 1de1 h ASN 19 N 0.00 -0.07 -0.28 2.28 2.35 -1.47 -2.63 115.58 115.76 1de1 h ASN 19 Ca 0.10 -0.50 0.04 0.00 -0.55 0.00 0.00 56.30 55.39 1de1 h ASN 19 Cb 0.80 0.02 -0.04 0.00 0.05 0.00 0.00 38.32 39.15 1de1 h ASN 19 CO -0.00 0.63 0.05 0.00 -1.65 0.00 0.00 177.43 176.46 1de1 h ALA 20 N -0.35 0.29 0.29 -0.83 0.00 -0.50 0.54 119.26 118.70 1de1 h ALA 20 Ca -0.01 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 1de1 h ALA 20 Cb 0.57 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 1de1 h ALA 20 CO 0.01 -0.37 -0.22 -0.22 0.00 0.00 0.00 179.25 178.46 1de1 h LYS 21 N 0.15 -0.49 -0.65 0.00 1.63 -1.48 -0.62 116.57 115.11 1de1 h LYS 21 Ca 0.13 0.03 -0.01 0.00 -0.85 0.00 0.00 60.65 59.96 1de1 h LYS 21 Cb 0.15 0.11 -0.03 0.00 -0.60 0.00 0.00 32.23 31.86 1de1 h LYS 21 CO -0.18 -0.33 0.38 0.00 -3.45 0.00 0.00 179.45 175.87 1de1 h ARG 22 N -0.51 0.88 0.23 1.90 2.47 -1.22 -1.85 114.38 116.28 1de1 h ARG 22 Ca -0.02 -0.08 -0.00 0.00 -1.26 0.00 0.00 59.98 58.62 1de1 h ARG 22 Cb 0.44 -0.18 -0.01 0.00 -1.65 0.00 0.00 29.97 28.57 1de1 h ARG 22 CO -0.00 0.62 -0.16 1.25 0.56 0.00 0.00 179.97 182.24 1de1 h LEU 23 N 0.89 -0.40 -0.39 3.04 6.46 0.59 -0.31 115.31 125.19 1de1 h LEU 23 Ca 0.23 0.03 0.03 0.00 -0.12 0.00 0.00 57.88 58.05 1de1 h LEU 23 Cb -0.02 0.12 -0.03 0.00 -0.73 0.00 0.00 40.66 40.00 1de1 h LEU 23 CO -0.04 -0.25 0.19 -0.07 -0.62 0.00 0.00 178.44 177.65 1de1 h LEU 24 N -0.38 0.26 -1.38 2.25 3.38 -0.80 0.78 115.31 119.42 1de1 h LEU 24 Ca -0.02 0.02 0.06 0.00 0.09 0.00 0.00 57.88 58.04 1de1 h LEU 24 Cb 0.33 -0.02 -0.04 0.00 0.09 0.00 0.00 40.66 41.01 1de1 h LEU 24 CO 0.01 0.19 0.47 0.74 0.09 0.00 0.00 178.44 179.95 1de1 h THR 25 N 0.38 1.03 0.02 0.22 2.02 -1.12 0.81 112.91 116.27 1de1 h THR 25 Ca 0.17 -0.26 -0.22 0.00 0.77 0.00 0.00 66.41 66.87 1de1 h THR 25 Cb 0.09 0.20 -0.02 0.00 -1.74 0.00 0.00 68.15 66.68 1de1 h THR 25 CO -0.13 0.14 -1.02 0.58 0.37 0.00 0.00 175.52 175.46 1de1 h VAL 26 N 0.76 1.68 0.00 3.16 2.07 0.09 -3.17 116.25 120.83 1de1 h VAL 26 Ca 0.31 -3.33 0.00 0.00 0.82 0.00 0.00 66.70 64.50 1de1 h VAL 26 Cb 0.25 2.84 0.00 0.00 -1.52 0.00 0.00 31.29 32.85 1de1 h VAL 26 CO -0.10 0.95 0.00 1.17 0.02 0.00 0.00 177.57 179.61 1de1 n LYS 27 N -3.39 0.06 -2.55 1.57 0.00 0.26 -4.93 118.16 109.17 1de1 n LYS 27 Ca -0.01 0.10 -0.08 0.00 0.00 0.00 0.00 58.31 58.32 1de1 n LYS 27 Cb 0.94 -1.57 0.04 0.00 0.00 0.00 0.00 35.03 34.44 1de1 n LYS 27 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 1de1 n LYS 28 N -1.67 -2.34 -4.20 1.64 4.76 0.14 -5.04 118.16 111.45 1de1 n LYS 28 Ca 0.06 0.41 -0.19 0.00 -2.87 0.00 0.00 58.31 55.72 1de1 n LYS 28 Cb 0.32 -3.91 -0.16 0.00 -1.84 0.00 0.00 35.03 29.44 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 -4.26 0.76 0.19 1.97 -1.52 -0.91 -5.06 119.66 110.83 1de1 s GLN 29 Ca 0.09 -0.15 -0.30 0.00 -1.95 0.00 0.00 55.36 53.05 1de1 s GLN 29 Cb -0.01 -0.75 -0.08 0.00 -0.22 0.00 0.00 33.01 31.95 1de1 s GLN 29 CO 0.35 -0.01 1.00 -1.25 -0.25 0.00 0.00 175.29 175.13 1de1 s PRO 30 N 0.58 4.73 0.27 2.91 0.04 -1.26 -4.52 135.00 137.74 1de1 s PRO 30 Ca -0.08 1.56 -0.17 0.00 0.04 0.00 0.00 61.00 62.35 1de1 s PRO 30 Cb -0.11 -3.30 0.01 0.00 0.04 0.00 0.00 34.50 31.14 1de1 s PRO 30 CO 0.00 0.29 0.61 -0.59 0.04 0.00 0.00 177.00 177.35 1de1 s PHE 31 N -0.59 0.07 -0.03 0.56 -0.71 -1.26 -1.89 117.98 114.13 1de1 s PHE 31 Ca 0.45 -0.49 0.01 0.00 -1.04 0.00 0.00 56.93 55.86 1de1 s PHE 31 Cb -0.27 0.47 0.02 0.00 -1.21 0.00 0.00 43.02 42.04 1de1 s PHE 31 CO 0.33 -1.13 -0.02 -1.21 -1.34 0.00 0.00 175.22 171.85 1de1 s GLU 32 N -3.93 0.44 -0.16 1.99 2.02 -0.75 -4.86 118.70 113.44 1de1 s GLU 32 Ca 0.16 -0.01 -0.14 0.00 0.02 0.00 0.00 54.97 55.00 1de1 s GLU 32 Cb -0.04 -0.54 -0.05 0.00 0.10 0.00 0.00 34.13 33.61 1de1 s GLU 32 CO 0.08 -0.08 0.31 0.12 0.02 0.00 0.00 175.26 175.71 1de1 s PHE 33 N 0.79 3.46 -0.31 1.61 5.36 -1.26 -1.93 117.98 125.70 1de1 s PHE 33 Ca -0.09 0.62 -0.03 0.00 -0.96 0.00 0.00 56.93 56.47 1de1 s PHE 33 Cb -0.12 -2.37 0.04 0.00 -0.34 0.00 0.00 43.02 40.24 1de1 s PHE 33 CO -0.01 0.22 0.02 0.42 -1.46 0.00 0.00 175.22 174.41 1de1 s ILE 34 N 0.53 3.20 -0.35 3.12 1.01 0.35 -4.92 121.20 124.13 1de1 s ILE 34 Ca 0.17 -1.28 -0.29 0.00 0.00 0.00 0.00 60.65 59.25 1de1 s ILE 34 Cb -0.13 -2.81 0.01 0.00 0.01 0.00 0.00 42.46 39.54 1de1 s ILE 34 CO 0.05 -0.10 1.23 0.20 0.00 0.00 0.00 174.94 176.32 1de1 s ASN 35 N 1.30 6.68 0.32 3.58 0.01 -1.26 -1.71 114.94 123.86 1de1 s ASN 35 Ca -0.04 0.98 0.14 0.00 -0.71 0.00 0.00 52.86 53.23 1de1 s ASN 35 Cb -0.19 -2.54 0.51 0.00 0.41 0.00 0.00 41.25 39.43 1de1 s ASN 35 CO -0.00 -1.11 1.67 0.16 -1.51 0.00 0.00 177.10 176.31 1de1 h ILE 36 N 6.03 1.21 -3.36 0.60 3.07 -1.54 -3.38 117.51 120.14 1de1 h ILE 36 Ca -0.24 -1.83 -0.64 0.00 1.55 0.00 0.00 64.86 63.70 1de1 h ILE 36 Cb 1.08 2.03 -0.41 0.00 -0.27 0.00 0.00 36.82 39.25 1de1 h ILE 36 CO 1.06 0.50 -0.65 -0.32 -1.05 0.00 0.00 178.15 177.68 1de1 s MET 37 N -3.65 1.82 0.00 0.16 0.00 -1.26 0.52 119.30 116.89 1de1 s MET 37 Ca -0.01 -2.45 0.26 0.00 0.00 0.00 0.00 55.69 53.49 1de1 s MET 37 Cb 0.12 -3.16 1.42 0.00 0.00 0.00 0.00 34.83 33.21 1de1 s MET 37 CO 0.73 -1.10 1.93 -0.35 0.00 0.00 0.00 175.02 176.23 1de1 n PRO 38 N 3.30 1.18 -3.89 4.11 -0.04 -1.26 -4.80 135.00 133.61 1de1 n PRO 38 Ca 0.05 -0.27 -0.12 0.00 -0.04 0.00 0.00 63.50 63.12 1de1 n PRO 38 Cb 0.33 -1.42 -0.14 0.00 -0.04 0.00 0.00 33.50 32.23 1de1 n PRO 38 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 1de1 s GLU 39 N -1.98 0.03 0.00 0.54 2.56 -1.26 -5.01 118.70 113.58 1de1 s GLU 39 Ca 0.39 -0.03 0.10 0.00 0.00 0.00 0.00 54.97 55.43 1de1 s GLU 39 Cb 0.19 -0.02 0.48 0.00 2.00 0.00 0.00 34.13 36.78 1de1 s GLU 39 CO 0.31 0.00 1.24 0.36 -0.56 0.00 0.00 175.26 176.61 1de1 n LYS 40 N 3.03 0.10 -0.02 4.30 2.85 -1.26 -3.53 118.16 123.63 1de1 n LYS 40 Ca -0.12 0.24 -0.02 0.00 -1.05 0.00 0.00 58.31 57.35 1de1 n LYS 40 Cb 0.60 -1.50 -0.01 0.00 -0.65 0.00 0.00 35.03 33.47 1de1 n LYS 40 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1de1 n GLY 41 N -0.45 -0.58 2.89 2.58 0.00 -1.26 -5.02 105.19 103.35 1de1 n GLY 41 Ca 0.04 -0.07 -0.17 0.00 0.00 0.00 0.00 46.02 45.82 1de1 n GLY 41 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1de1 s VAL 42 N -1.45 0.36 1.15 1.61 1.01 -1.23 -5.15 120.40 116.70 1de1 s VAL 42 Ca -0.06 -0.09 -0.13 0.00 0.00 0.00 0.00 61.98 61.70 1de1 s VAL 42 Cb 0.01 -0.37 0.27 0.00 0.00 0.00 0.00 36.38 36.29 1de1 s VAL 42 CO 0.09 0.15 1.04 0.72 0.00 0.00 0.00 175.10 177.10 1de1 s PHE 43 N 0.54 1.45 -0.60 5.22 -0.12 -1.26 -4.16 117.98 119.05 1de1 s PHE 43 Ca -0.06 1.07 -0.19 0.00 -0.05 0.00 0.00 56.93 57.70 1de1 s PHE 43 Cb -0.09 -3.13 0.10 0.00 -0.63 0.00 0.00 43.02 39.27 1de1 s PHE 43 CO -0.01 -3.75 0.71 -0.51 -0.05 0.00 0.00 175.22 171.61 1de1 s ASP 44 N -2.77 6.18 0.66 1.98 1.11 0.18 -4.88 116.67 119.14 1de1 s ASP 44 Ca 0.68 -1.44 0.32 0.00 0.18 0.00 0.00 52.55 52.29 1de1 s ASP 44 Cb -0.23 -2.30 1.75 0.00 1.07 0.00 0.00 42.92 43.20 1de1 s ASP 44 CO 0.63 -1.12 1.98 0.44 1.18 0.00 0.00 175.17 178.28 1de1 h ASP 45 N 9.19 0.00 0.52 0.27 3.32 -1.93 -2.21 116.42 125.58 1de1 h ASP 45 Ca -0.29 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 56.74 1de1 h ASP 45 Cb 1.09 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.63 1de1 h ASP 45 CO 1.10 0.00 -0.32 -0.33 -1.72 0.00 0.00 179.24 177.97 1de1 h GLU 46 N 0.00 -0.77 -0.09 3.56 5.08 -1.93 0.59 114.58 121.03 1de1 h GLU 46 Ca 0.00 0.05 -0.09 0.00 -1.00 0.00 0.00 59.36 58.32 1de1 h GLU 46 Cb 0.56 0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.97 1de1 h GLU 46 CO 0.00 -0.51 -0.35 0.87 -1.00 0.00 0.00 179.01 178.02 1de1 h LYS 47 N -0.80 0.17 -0.17 2.33 1.57 -1.75 -2.96 116.57 114.96 1de1 h LYS 47 Ca -0.06 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.65 1de1 h LYS 47 Cb 0.65 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.94 1de1 h LYS 47 CO 0.06 0.51 0.11 0.82 -0.57 0.00 0.00 179.45 180.38 1de1 h ILE 48 N 0.15 1.03 -0.16 1.86 1.08 -1.21 -1.15 117.51 119.12 1de1 h ILE 48 Ca 0.02 -0.08 0.02 0.00 -0.39 0.00 0.00 64.86 64.43 1de1 h ILE 48 Cb 0.70 0.79 -0.02 0.00 -3.07 0.00 0.00 36.82 35.21 1de1 h ILE 48 CO 0.05 0.04 0.03 0.00 -0.69 0.00 0.00 178.15 177.58 1de1 h ALA 49 N 1.07 0.16 -0.70 1.87 0.00 -0.74 -1.74 119.26 119.18 1de1 h ALA 49 Ca 0.07 0.03 0.07 0.00 0.00 0.00 0.00 54.91 55.08 1de1 h ALA 49 Cb -0.02 0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.77 1de1 h ALA 49 CO -0.02 -0.41 0.46 1.49 0.00 0.00 0.00 179.25 180.77 1de1 h GLU 50 N 0.09 0.68 0.29 0.00 4.81 -1.36 -2.35 114.58 116.73 1de1 h GLU 50 Ca 0.07 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.25 1de1 h GLU 50 Cb 0.07 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.30 1de1 h GLU 50 CO -0.10 0.45 -0.14 1.25 -0.73 0.00 0.00 179.01 179.74 1de1 h LEU 51 N 0.70 -0.32 -0.75 1.64 5.85 -0.35 -1.46 115.31 120.61 1de1 h LEU 51 Ca 0.31 -0.03 0.16 0.00 0.84 0.00 0.00 57.88 59.15 1de1 h LEU 51 Cb 0.31 0.08 -0.11 0.00 0.37 0.00 0.00 40.66 41.31 1de1 h LEU 51 CO -0.10 -0.18 0.23 -0.07 -0.34 0.00 0.00 178.44 177.98 1de1 h LEU 52 N -0.45 0.11 -1.38 2.25 3.38 -0.88 0.48 115.31 118.81 1de1 h LEU 52 Ca -0.04 0.14 -0.05 0.00 0.09 0.00 0.00 57.88 58.02 1de1 h LEU 52 Cb 0.34 0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 1de1 h LEU 52 CO 0.06 0.00 -0.10 0.74 0.09 0.00 0.00 178.44 179.24 1de1 h THR 53 N 0.32 1.18 0.00 0.22 2.02 -1.26 -1.64 112.91 113.74 1de1 h THR 53 Ca 0.43 -0.76 -0.09 0.00 0.77 0.00 0.00 66.41 66.76 1de1 h THR 53 Cb 0.72 1.15 -0.01 0.00 -1.74 0.00 0.00 68.15 68.26 1de1 h THR 53 CO -0.48 0.24 -0.44 0.50 0.37 0.00 0.00 175.52 175.70 1de1 h LYS 54 N 0.28 0.00 -0.23 6.66 3.64 0.98 -2.92 116.57 124.97 1de1 h LYS 54 Ca 0.06 0.00 -0.17 0.00 -1.27 0.00 0.00 60.65 59.27 1de1 h LYS 54 Cb 0.35 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.17 1de1 h LYS 54 CO 0.02 0.44 -0.53 -0.07 -2.27 0.00 0.00 179.45 177.04 1de1 h LEU 55 N 0.00 0.76 -0.07 5.20 3.38 -0.18 -3.41 115.31 120.98 1de1 h LEU 55 Ca -0.00 -0.40 0.00 0.00 0.09 0.00 0.00 57.88 57.57 1de1 h LEU 55 Cb 0.79 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.32 1de1 h LEU 55 CO 0.06 1.14 0.00 0.61 0.09 0.00 0.00 178.44 180.34 1de1 n GLY 56 N 0.27 1.42 2.45 0.83 0.00 -1.03 -4.95 105.19 104.18 1de1 n GLY 56 Ca -0.03 -0.17 -0.10 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.68 0.54 -0.08 1.61 3.00 -1.24 -5.07 116.66 114.74 1de1 n ARG 57 Ca 0.00 -1.95 -0.08 0.00 -0.01 0.00 0.00 57.85 55.81 1de1 n ARG 57 Cb 0.10 1.94 -0.12 0.00 0.00 0.00 0.00 32.46 34.39 1de1 n ARG 57 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.63 174.16 1de1 n ASP 58 N -1.72 1.37 -4.73 0.55 2.03 -1.26 -4.56 116.55 108.23 1de1 n ASP 58 Ca -0.00 -0.01 -0.23 0.00 0.52 0.00 0.00 54.79 55.07 1de1 n ASP 58 Cb 0.42 0.78 -0.06 0.00 -0.72 0.00 0.00 41.12 41.54 1de1 n ASP 58 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 1de1 s THR 59 N -2.37 3.24 -0.50 5.18 -1.32 -1.26 -5.07 115.64 113.54 1de1 s THR 59 Ca -0.09 -1.69 -0.09 0.00 -1.21 0.00 0.00 61.69 58.61 1de1 s THR 59 Cb 0.05 -3.00 0.13 0.00 -1.51 0.00 0.00 72.50 68.16 1de1 s THR 59 CO 0.60 -0.23 0.38 0.00 -2.21 0.00 0.00 174.62 173.16 1de1 s GLN 60 N -3.82 2.55 -1.07 7.08 -2.07 -1.26 -5.02 119.66 116.04 1de1 s GLN 60 Ca 0.36 -1.83 -0.22 0.00 -1.82 0.00 0.00 55.36 51.86 1de1 s GLN 60 Cb -0.04 -3.96 0.06 0.00 -1.09 0.00 0.00 33.01 27.98 1de1 s GLN 60 CO 0.23 -1.21 1.49 0.42 -1.32 0.00 0.00 175.29 174.90 1de1 s ILE 61 N 1.26 4.02 -1.22 3.63 -1.09 -1.26 -3.97 121.20 122.57 1de1 s ILE 61 Ca 0.07 -1.07 -0.01 0.00 -2.23 0.00 0.00 60.65 57.41 1de1 s ILE 61 Cb -0.25 -5.07 0.00 0.00 -1.58 0.00 0.00 42.46 35.56 1de1 s ILE 61 CO -0.01 -1.93 0.13 0.61 -1.23 0.00 0.00 174.94 172.51 1de1 n GLY 62 N 6.47 -0.22 3.49 6.18 0.00 -1.26 -4.90 105.19 114.95 1de1 n GLY 62 Ca 0.36 -0.23 -0.52 0.00 0.00 0.00 0.00 46.02 45.63 1de1 n GLY 62 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1de1 n LEU 63 N -2.37 -0.01 -4.18 0.99 7.99 -1.26 -4.97 117.00 113.20 1de1 n LEU 63 Ca -0.15 1.15 -0.16 0.00 -0.01 0.00 0.00 56.01 56.83 1de1 n LEU 63 Cb 0.62 -1.01 -0.11 0.00 -0.11 0.00 0.00 43.42 42.80 1de1 n LEU 63 CO 0.24 -2.11 -0.44 -0.89 -1.51 0.00 0.00 177.39 172.69 1de1 s THR 64 N -0.40 1.06 0.12 -5.08 2.01 -1.26 -5.16 115.64 106.93 1de1 s THR 64 Ca 0.77 -1.52 0.08 0.00 0.31 0.00 0.00 61.69 61.33 1de1 s THR 64 Cb -1.04 -1.26 -0.04 0.00 0.01 0.00 0.00 72.50 70.18 1de1 s THR 64 CO 0.55 -0.41 -0.19 -0.04 -0.69 0.00 0.00 174.62 173.85 1de1 s MET 65 N -2.35 1.13 -0.02 4.92 -1.94 -1.26 -3.56 119.30 116.22 1de1 s MET 65 Ca 0.03 -1.23 -0.30 0.00 -1.71 0.00 0.00 55.69 52.48 1de1 s MET 65 Cb -0.06 -1.26 -0.03 0.00 2.01 0.00 0.00 34.83 35.49 1de1 s MET 65 CO 0.02 0.28 1.01 -2.14 -0.01 0.00 0.00 175.02 174.18 1de1 s PRO 66 N -2.25 4.51 -0.30 2.03 0.02 -1.26 -4.98 135.00 132.78 1de1 s PRO 66 Ca 0.09 1.45 -0.20 0.00 0.02 0.00 0.00 61.00 62.36 1de1 s PRO 66 Cb -0.08 -3.47 -0.01 0.00 0.02 0.00 0.00 34.50 30.95 1de1 s PRO 66 CO 0.05 -0.15 0.61 -1.14 -0.33 0.00 0.00 177.00 176.04 1de1 s GLN 67 N 1.30 3.93 0.31 5.54 2.00 0.10 -4.63 119.66 128.22 1de1 s GLN 67 Ca 0.52 0.31 0.03 0.00 -2.00 0.00 0.00 55.36 54.22 1de1 s GLN 67 Cb -0.21 -3.71 -0.03 0.00 0.80 0.00 0.00 33.01 29.86 1de1 s GLN 67 CO 0.25 -0.53 0.47 0.08 -0.50 0.00 0.00 175.29 175.06 1de1 s VAL 68 N 2.55 4.90 0.01 1.34 1.01 -0.99 0.14 120.40 129.36 1de1 s VAL 68 Ca 0.25 -0.77 -0.04 0.00 0.00 0.00 0.00 61.98 61.41 1de1 s VAL 68 Cb -0.15 -3.75 -0.01 0.00 0.00 0.00 0.00 36.38 32.47 1de1 s VAL 68 CO 0.11 -0.38 0.07 -0.36 0.00 0.00 0.00 175.10 174.55 1de1 s PHE 69 N -2.18 0.11 0.88 5.22 0.08 0.41 -2.78 117.98 119.72 1de1 s PHE 69 Ca 0.39 -0.25 -0.11 0.00 0.12 0.00 0.00 56.93 57.08 1de1 s PHE 69 Cb -0.09 -0.09 0.12 0.00 -0.57 0.00 0.00 43.02 42.39 1de1 s PHE 69 CO 0.33 -0.24 1.15 0.00 -0.10 0.00 0.00 175.22 176.36 1de1 s ALA 70 N -1.31 1.64 -0.27 5.36 0.00 0.16 -1.31 121.76 126.03 1de1 s ALA 70 Ca -0.14 0.59 -0.02 0.00 0.00 0.00 0.00 51.96 52.39 1de1 s ALA 70 Cb -0.08 -3.43 -0.02 0.00 0.00 0.00 0.00 23.12 19.59 1de1 s ALA 70 CO 0.01 -2.54 1.34 -2.30 0.00 0.00 0.00 175.76 172.26 1de1 n PRO 71 N -3.98 0.66 -0.94 0.00 -0.02 -1.25 -2.88 135.00 126.58 1de1 n PRO 71 Ca 0.12 -0.75 0.00 0.00 -2.02 0.00 0.00 63.50 60.85 1de1 n PRO 71 Cb 0.52 -2.09 0.00 0.00 -0.02 0.00 0.00 33.50 31.91 1de1 n PRO 71 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 1de1 n ASP 72 N 4.52 -0.50 0.00 2.55 2.03 -1.26 -4.22 116.55 119.67 1de1 n ASP 72 Ca 0.14 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.45 1de1 n ASP 72 Cb 0.06 -0.24 0.00 0.00 -0.72 0.00 0.00 41.12 40.22 1de1 n ASP 72 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1de1 n GLY 73 N -1.04 0.35 2.15 0.27 0.00 -1.14 -5.15 105.19 100.64 1de1 n GLY 73 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 1de1 n GLY 73 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1de1 n SER 74 N 0.00 -1.03 -4.70 1.61 3.41 -1.26 -4.89 113.62 106.76 1de1 n SER 74 Ca 0.00 -2.11 -0.42 0.00 -0.26 0.00 0.00 58.87 56.08 1de1 n SER 74 Cb 0.00 1.83 -0.03 0.00 -0.26 0.00 0.00 64.21 65.75 1de1 n SER 74 CO 0.00 0.00 0.00 -2.28 -0.16 0.00 0.00 175.04 172.60 1de1 s HIS 75 N -4.10 2.83 -0.19 7.33 2.46 -1.26 0.38 115.29 122.75 1de1 s HIS 75 Ca 0.15 0.69 -0.13 0.00 0.47 0.00 0.00 55.06 56.24 1de1 s HIS 75 Cb -0.01 -3.77 -0.21 0.00 -0.13 0.00 0.00 32.58 28.45 1de1 s HIS 75 CO 0.11 -2.91 0.18 -0.89 -2.47 0.00 0.00 174.74 168.76 1de1 n ILE 76 N 4.46 1.63 0.00 0.89 5.41 -1.12 -4.87 119.36 125.76 1de1 n ILE 76 Ca 0.14 -0.35 0.00 0.00 1.00 0.00 0.00 62.75 63.54 1de1 n ILE 76 Cb 0.42 -1.86 0.00 0.00 -0.71 0.00 0.00 39.64 37.49 1de1 n ILE 76 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1de1 n GLY 77 N 1.69 0.57 0.00 7.39 0.00 -1.25 -4.61 105.19 108.98 1de1 n GLY 77 Ca -0.35 -1.76 0.00 0.00 0.00 0.00 0.00 46.02 43.91 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 1.28 0.00 -0.02 0.00 -1.26 -2.35 105.19 102.84 1de1 n GLY 78 Ca 0.00 -1.68 0.00 0.00 0.00 0.00 0.00 46.02 44.34 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 -1.91 117.46 123.06 1de1 n PHE 79 Ca 0.00 0.00 -0.02 0.00 -0.76 0.00 0.00 57.45 56.67 1de1 n PHE 79 Cb 0.00 -0.47 0.09 0.00 0.35 0.00 0.00 39.48 39.44 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 0.32 -0.70 -2.13 3.58 -1.99 0.14 116.42 115.63 1de1 h ASP 80 Ca 0.00 0.05 0.13 0.00 0.42 0.00 0.00 57.03 57.64 1de1 h ASP 80 Cb 0.00 0.01 -0.04 0.00 1.72 0.00 0.00 39.33 41.01 1de1 h ASP 80 CO 0.00 0.20 0.47 -0.61 -2.88 0.00 0.00 179.24 176.43 1de1 h GLN 81 N 0.47 0.39 0.17 0.28 4.15 -1.93 -0.83 115.11 117.81 1de1 h GLN 81 Ca 0.27 -0.02 -0.30 0.00 0.77 0.00 0.00 58.65 59.37 1de1 h GLN 81 Cb 0.26 -0.09 0.02 0.00 0.21 0.00 0.00 27.48 27.88 1de1 h GLN 81 CO -0.24 0.26 -1.33 1.25 -1.93 0.00 0.00 178.83 176.85 1de1 h LEU 82 N 0.40 0.56 -2.00 -2.39 6.46 -0.25 -3.20 115.31 114.90 1de1 h LEU 82 Ca 0.34 -0.61 0.25 0.00 -0.12 0.00 0.00 57.88 57.74 1de1 h LEU 82 Cb 0.77 -0.18 -0.03 0.00 -0.73 0.00 0.00 40.66 40.48 1de1 h LEU 82 CO -0.10 1.47 0.61 0.03 -0.62 0.00 0.00 178.44 179.83 1de1 h ARG 83 N 0.10 0.00 -0.18 1.25 3.08 0.65 1.54 114.38 120.81 1de1 h ARG 83 Ca -0.18 0.00 -0.14 0.00 0.07 0.00 0.00 59.98 59.73 1de1 h ARG 83 Cb 2.04 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 32.08 1de1 h ARG 83 CO 0.23 0.00 -0.48 1.49 -1.07 0.00 0.00 179.97 180.14 1de1 h GLU 84 N 0.00 0.46 -0.35 0.04 4.57 -1.48 1.02 114.58 118.84 1de1 h GLU 84 Ca 0.40 -0.26 -0.04 0.00 -1.18 0.00 0.00 59.36 58.28 1de1 h GLU 84 Cb 1.62 0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 30.21 1de1 h GLU 84 CO -0.00 0.84 0.06 -0.92 -1.18 0.00 0.00 179.01 177.81 1de1 h TYR 85 N 0.37 0.53 0.00 0.92 5.03 0.21 -3.32 116.97 120.71 1de1 h TYR 85 Ca 0.02 -0.04 0.00 0.00 2.58 0.00 0.00 58.73 61.29 1de1 h TYR 85 Cb 0.98 -0.16 0.00 0.00 1.55 0.00 0.00 36.73 39.10 1de1 h TYR 85 CO 0.03 0.49 0.00 1.19 -1.32 0.00 0.00 178.16 178.55 1de1 n PHE 86 N -4.32 0.00 -0.47 -3.82 3.72 -0.54 -5.13 117.46 106.91 1de1 n PHE 86 Ca 0.02 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.42 1de1 n PHE 86 Cb 0.20 -0.30 0.00 0.00 -0.94 0.00 0.00 39.48 38.45 1de1 n PHE 86 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34