#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1de1 n PHE 2 N 0.00 -0.86 -3.76 1.12 3.01 -0.77 -4.05 117.46 112.16 1de1 n PHE 2 Ca 0.00 0.29 -0.24 0.00 1.01 0.00 0.00 57.45 58.51 1de1 n PHE 2 Cb 0.00 -1.86 -0.17 0.00 -0.01 0.00 0.00 39.48 37.44 1de1 n PHE 2 CO 0.00 0.00 0.00 0.15 1.01 0.00 0.00 176.76 177.92 1de1 s LYS 3 N -3.58 0.63 -0.22 -1.08 3.01 -0.47 -0.94 119.74 117.09 1de1 s LYS 3 Ca 0.61 -0.03 -0.10 0.00 -1.01 0.00 0.00 55.97 55.44 1de1 s LYS 3 Cb -0.25 -1.28 -0.05 0.00 -1.01 0.00 0.00 37.83 35.24 1de1 s LYS 3 CO 0.63 -0.39 0.15 0.08 0.51 0.00 0.00 175.35 176.33 1de1 s VAL 4 N 1.94 5.38 -0.52 3.17 1.01 -0.92 0.64 120.40 131.10 1de1 s VAL 4 Ca 0.04 0.20 -0.11 0.00 0.00 0.00 0.00 61.98 62.10 1de1 s VAL 4 Cb -0.13 -3.49 0.13 0.00 0.00 0.00 0.00 36.38 32.88 1de1 s VAL 4 CO -0.06 0.38 0.42 -0.31 0.00 0.00 0.00 175.10 175.54 1de1 s TYR 5 N 0.76 3.39 0.00 5.22 1.51 0.44 -0.26 117.35 128.41 1de1 s TYR 5 Ca 0.08 -1.72 0.00 0.00 -1.01 0.00 0.00 57.07 54.42 1de1 s TYR 5 Cb -0.12 -3.61 0.00 0.00 -0.11 0.00 0.00 41.96 38.12 1de1 s TYR 5 CO 0.02 -1.00 0.00 0.41 -1.11 0.00 0.00 175.55 173.87 1de1 n GLY 6 N 4.91 3.57 3.45 0.71 0.00 -0.87 0.11 105.19 117.08 1de1 n GLY 6 Ca -0.08 -0.13 -0.23 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 0.08 2.23 0.00 1.61 2.02 -1.26 -2.36 117.35 119.67 1de1 s TYR 7 Ca 0.00 -0.36 0.00 0.00 -0.37 0.00 0.00 57.07 56.34 1de1 s TYR 7 Cb 0.00 -0.97 0.00 0.00 -0.40 0.00 0.00 41.96 40.59 1de1 s TYR 7 CO 0.00 0.67 0.18 -0.25 -1.57 0.00 0.00 175.55 174.58 1de1 n ASP 8 N -0.56 0.00 0.00 2.29 9.92 -1.26 -4.78 116.55 122.15 1de1 n ASP 8 Ca -0.06 0.18 0.00 0.00 -0.53 0.00 0.00 54.79 54.38 1de1 n ASP 8 Cb 0.60 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 41.08 1de1 n ASP 8 CO 0.00 0.00 0.00 -1.54 0.13 0.00 0.00 177.20 175.79 1de1 n SER 9 N -0.45 0.00 0.10 -2.24 3.41 -1.12 -4.67 113.62 108.65 1de1 n SER 9 Ca 0.00 0.00 -0.05 0.00 -0.26 0.00 0.00 58.87 58.56 1de1 n SER 9 Cb 0.00 0.00 0.07 0.00 -0.26 0.00 0.00 64.21 64.02 1de1 n SER 9 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 175.04 173.75 1de1 h ASN 10 N 0.00 0.16 0.20 4.04 -1.24 -1.97 -3.32 115.58 113.45 1de1 h ASN 10 Ca 0.00 -0.11 -0.35 0.00 0.71 0.00 0.00 56.30 56.55 1de1 h ASN 10 Cb 0.00 -0.05 -0.04 0.00 0.73 0.00 0.00 38.32 38.96 1de1 h ASN 10 CO 0.00 0.84 -2.04 -0.38 -1.29 0.00 0.00 177.43 174.56 1de1 n ILE 11 N -3.74 1.63 -3.63 2.57 2.08 -1.26 -5.00 119.36 112.02 1de1 n ILE 11 Ca -0.02 -0.71 -0.14 0.00 0.56 0.00 0.00 62.75 62.43 1de1 n ILE 11 Cb 0.71 -1.31 -0.07 0.00 -0.75 0.00 0.00 39.64 38.22 1de1 n ILE 11 CO 0.00 0.00 0.00 -2.28 0.56 0.00 0.00 176.55 174.83 1de1 s HIS 12 N -2.56 -0.38 0.92 1.39 2.46 -1.25 -4.96 115.29 110.92 1de1 s HIS 12 Ca -0.17 0.52 -0.11 0.00 0.47 0.00 0.00 55.06 55.76 1de1 s HIS 12 Cb 0.07 0.27 0.09 0.00 -0.13 0.00 0.00 32.58 32.88 1de1 s HIS 12 CO 0.77 -0.55 0.80 1.63 -2.47 0.00 0.00 174.74 174.91 1de1 n LYS 13 N 0.77 -0.34 -2.68 2.88 5.02 -1.26 -2.80 118.16 119.75 1de1 n LYS 13 Ca -0.19 -0.04 -0.04 0.00 -2.02 0.00 0.00 58.31 56.01 1de1 n LYS 13 Cb 0.58 -2.13 0.06 0.00 -0.02 0.00 0.00 35.03 33.52 1de1 n LYS 13 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1de1 n VAL 15 N 1.95 1.72 0.24 0.00 0.24 -1.26 -4.00 118.33 117.22 1de1 n VAL 15 Ca 0.06 -0.68 0.08 0.00 -2.04 0.00 0.00 64.34 61.76 1de1 n VAL 15 Cb 0.67 -1.54 0.60 0.00 -1.47 0.00 0.00 33.84 32.10 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 0.05 0.00 -0.14 6.34 -1.99 -1.96 -2.70 116.97 116.57 1de1 h TYR 16 Ca -0.41 0.00 -0.12 0.00 2.00 0.00 0.00 58.73 60.20 1de1 h TYR 16 Cb 2.03 0.00 0.00 0.00 2.00 0.00 0.00 36.73 40.76 1de1 h TYR 16 CO 0.06 0.11 -0.38 0.00 -0.00 0.00 0.00 178.16 177.95 1de1 h ASP 18 N 0.11 0.22 0.30 0.00 5.19 -1.61 -0.05 116.42 120.58 1de1 h ASP 18 Ca -0.01 0.02 -0.01 0.00 -0.62 0.00 0.00 57.03 56.40 1de1 h ASP 18 Cb 0.99 -0.03 0.00 0.00 0.18 0.00 0.00 39.33 40.48 1de1 h ASP 18 CO 0.08 0.10 -0.14 0.78 -3.12 0.00 0.00 179.24 176.94 1de1 h ASN 19 N 0.23 -0.34 -0.32 6.45 -0.26 -1.47 -2.96 115.58 116.91 1de1 h ASN 19 Ca 0.37 -0.19 0.07 0.00 -0.56 0.00 0.00 56.30 55.98 1de1 h ASN 19 Cb 1.12 0.09 -0.02 0.00 -1.06 0.00 0.00 38.32 38.45 1de1 h ASN 19 CO -0.08 0.11 0.22 0.00 -1.06 0.00 0.00 177.43 176.62 1de1 h ALA 20 N -0.51 2.13 0.60 -0.83 0.00 -1.24 -1.81 119.26 117.60 1de1 h ALA 20 Ca -0.04 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 1de1 h ALA 20 Cb 0.51 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.29 1de1 h ALA 20 CO 0.07 -0.20 -0.29 -0.22 0.00 0.00 0.00 179.25 178.61 1de1 h LYS 21 N 0.13 -0.78 -0.41 0.00 3.11 -1.02 -1.51 116.57 116.09 1de1 h LYS 21 Ca 0.14 0.05 -0.00 0.00 -2.81 0.00 0.00 60.65 58.04 1de1 h LYS 21 Cb 0.41 0.18 -0.02 0.00 -1.00 0.00 0.00 32.23 31.79 1de1 h LYS 21 CO -0.02 -0.50 0.25 0.07 -2.81 0.00 0.00 179.45 176.44 1de1 h ARG 22 N -0.86 0.55 0.32 1.90 0.11 -1.28 -2.41 114.38 112.72 1de1 h ARG 22 Ca -0.08 -0.04 -0.01 0.00 0.10 0.00 0.00 59.98 59.95 1de1 h ARG 22 Cb 0.64 -0.12 -0.00 0.00 1.11 0.00 0.00 29.97 31.59 1de1 h ARG 22 CO 0.14 0.39 -0.20 1.25 0.10 0.00 0.00 179.97 181.65 1de1 h LEU 23 N 0.56 -0.49 -0.68 0.08 6.46 -1.04 -1.34 115.31 118.86 1de1 h LEU 23 Ca 0.15 0.03 0.08 0.00 -0.12 0.00 0.00 57.88 58.02 1de1 h LEU 23 Cb -0.03 0.14 -0.06 0.00 -0.73 0.00 0.00 40.66 39.99 1de1 h LEU 23 CO -0.03 -0.32 0.35 -0.07 -0.62 0.00 0.00 178.44 177.76 1de1 h LEU 24 N -0.50 0.48 -1.41 2.25 3.38 -0.91 0.60 115.31 119.20 1de1 h LEU 24 Ca -0.03 0.05 0.07 0.00 0.09 0.00 0.00 57.88 58.05 1de1 h LEU 24 Cb 0.41 -0.04 -0.04 0.00 0.09 0.00 0.00 40.66 41.08 1de1 h LEU 24 CO 0.04 0.29 0.46 0.74 0.09 0.00 0.00 178.44 180.06 1de1 h THR 25 N 0.62 1.01 0.00 0.22 2.02 -1.13 0.29 112.91 115.94 1de1 h THR 25 Ca 0.33 -0.24 -0.20 0.00 0.77 0.00 0.00 66.41 67.06 1de1 h THR 25 Cb 0.29 0.24 -0.03 0.00 -1.74 0.00 0.00 68.15 66.91 1de1 h THR 25 CO -0.24 0.13 -0.95 0.58 0.37 0.00 0.00 175.52 175.42 1de1 h VAL 26 N 0.71 1.64 0.00 3.16 2.07 0.22 -3.16 116.25 120.90 1de1 h VAL 26 Ca 0.30 -3.29 0.00 0.00 0.82 0.00 0.00 66.70 64.53 1de1 h VAL 26 Cb 0.28 2.79 0.00 0.00 -1.52 0.00 0.00 31.29 32.84 1de1 h VAL 26 CO -0.10 0.93 0.00 1.17 0.02 0.00 0.00 177.57 179.59 1de1 n LYS 27 N -3.36 0.17 -2.40 1.57 3.00 0.19 -4.96 118.16 112.37 1de1 n LYS 27 Ca 0.00 0.15 -0.06 0.00 -0.00 0.00 0.00 58.31 58.40 1de1 n LYS 27 Cb 0.91 -1.70 0.03 0.00 0.00 0.00 0.00 35.03 34.27 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 -2.00 -1.08 -3.83 1.64 4.76 0.84 -5.04 118.16 113.44 1de1 n LYS 28 Ca 0.06 0.59 -0.12 0.00 -2.87 0.00 0.00 58.31 55.97 1de1 n LYS 28 Cb 0.39 -3.79 -0.13 0.00 -1.84 0.00 0.00 35.03 29.66 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 -3.57 0.09 0.15 1.97 -1.52 -1.03 -5.05 119.66 110.70 1de1 s GLN 29 Ca 0.19 0.14 -0.30 0.00 -1.95 0.00 0.00 55.36 53.44 1de1 s GLN 29 Cb -0.02 0.02 -0.07 0.00 -0.22 0.00 0.00 33.01 32.72 1de1 s GLN 29 CO 0.39 -0.03 0.96 -1.25 -0.25 0.00 0.00 175.29 175.11 1de1 s PRO 30 N 0.17 4.75 0.26 2.91 0.04 -1.26 -4.59 135.00 137.28 1de1 s PRO 30 Ca -0.01 1.47 -0.13 0.00 0.04 0.00 0.00 61.00 62.37 1de1 s PRO 30 Cb -0.02 -3.35 -0.00 0.00 0.04 0.00 0.00 34.50 31.17 1de1 s PRO 30 CO -0.00 0.31 0.50 -0.59 0.04 0.00 0.00 177.00 177.25 1de1 s PHE 31 N -0.37 0.35 -0.05 0.56 -0.12 -1.26 -1.84 117.98 115.25 1de1 s PHE 31 Ca 0.45 -0.72 -0.12 0.00 -0.05 0.00 0.00 56.93 56.50 1de1 s PHE 31 Cb -0.24 0.23 0.02 0.00 -0.63 0.00 0.00 43.02 42.40 1de1 s PHE 31 CO 0.31 -1.03 0.27 -1.21 -0.05 0.00 0.00 175.22 173.51 1de1 s GLU 32 N -3.94 0.51 0.43 1.99 2.02 -0.11 -4.83 118.70 114.77 1de1 s GLU 32 Ca 0.22 0.00 -0.04 0.00 0.02 0.00 0.00 54.97 55.17 1de1 s GLU 32 Cb -0.01 0.23 -0.04 0.00 0.10 0.00 0.00 34.13 34.41 1de1 s GLU 32 CO 0.09 -0.11 0.71 0.12 0.02 0.00 0.00 175.26 176.09 1de1 s PHE 33 N -0.76 3.54 -0.11 1.61 5.36 -1.26 -2.16 117.98 124.21 1de1 s PHE 33 Ca -0.08 0.69 -0.04 0.00 -0.96 0.00 0.00 56.93 56.54 1de1 s PHE 33 Cb -0.04 -2.19 0.06 0.00 -0.34 0.00 0.00 43.02 40.50 1de1 s PHE 33 CO 0.02 -0.14 0.22 0.42 -1.46 0.00 0.00 175.22 174.28 1de1 s ILE 34 N -2.58 -0.33 -0.28 3.12 1.01 0.63 -4.79 121.20 117.98 1de1 s ILE 34 Ca 0.45 0.31 -0.16 0.00 0.00 0.00 0.00 60.65 61.25 1de1 s ILE 34 Cb -0.10 -0.38 -0.03 0.00 0.01 0.00 0.00 42.46 41.97 1de1 s ILE 34 CO 0.41 0.13 0.44 0.21 0.00 0.00 0.00 174.94 176.13 1de1 s ASN 35 N 2.30 6.31 0.35 3.58 3.84 -1.26 -2.05 114.94 128.02 1de1 s ASN 35 Ca 0.01 0.27 0.25 0.00 0.21 0.00 0.00 52.86 53.61 1de1 s ASN 35 Cb -0.12 -2.24 0.66 0.00 -0.55 0.00 0.00 41.25 39.00 1de1 s ASN 35 CO -0.07 -0.28 1.72 0.16 -2.79 0.00 0.00 177.10 175.84 1de1 h ILE 36 N 5.44 0.00 -3.36 -5.21 3.07 -1.84 -3.39 117.51 112.22 1de1 h ILE 36 Ca -0.30 -0.71 -0.64 0.00 1.55 0.00 0.00 64.86 64.77 1de1 h ILE 36 Cb 1.15 1.69 -0.41 0.00 -0.27 0.00 0.00 36.82 38.98 1de1 h ILE 36 CO 0.69 0.00 -0.67 -0.32 -1.05 0.00 0.00 178.15 176.80 1de1 s MET 37 N -3.22 1.73 -0.04 0.16 1.75 -1.26 0.11 119.30 118.53 1de1 s MET 37 Ca 0.08 -2.34 0.03 0.00 -1.25 0.00 0.00 55.69 52.21 1de1 s MET 37 Cb 0.08 -3.08 0.17 0.00 2.84 0.00 0.00 34.83 34.84 1de1 s MET 37 CO 0.61 -1.09 0.83 -0.35 -0.65 0.00 0.00 175.02 174.37 1de1 n PRO 38 N 3.43 1.75 -4.16 4.11 -0.04 -1.23 -4.85 135.00 134.01 1de1 n PRO 38 Ca 0.05 -0.65 -0.10 0.00 -0.04 0.00 0.00 63.50 62.76 1de1 n PRO 38 Cb 0.34 -1.57 -0.10 0.00 -0.04 0.00 0.00 33.50 32.14 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 -1.45 0.95 0.00 0.54 2.02 -1.25 -5.01 118.70 114.50 1de1 s GLU 39 Ca 0.11 -1.46 0.02 0.00 0.02 0.00 0.00 54.97 53.67 1de1 s GLU 39 Cb 0.08 0.20 0.08 0.00 0.10 0.00 0.00 34.13 34.59 1de1 s GLU 39 CO 0.04 -0.25 0.95 1.17 0.02 0.00 0.00 175.26 177.19 1de1 n LYS 40 N -0.11 0.01 0.00 1.61 4.81 -1.26 -3.75 118.16 119.47 1de1 n LYS 40 Ca -0.05 0.37 0.00 0.00 -0.87 0.00 0.00 58.31 57.75 1de1 n LYS 40 Cb 0.64 -1.50 0.00 0.00 0.02 0.00 0.00 35.03 34.19 1de1 n LYS 40 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1de1 n GLY 41 N -1.23 0.00 3.04 3.14 0.00 -1.26 -5.01 105.19 103.87 1de1 n GLY 41 Ca 0.01 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 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 0.00 -0.57 0.63 1.61 1.01 -1.25 -5.15 120.40 116.68 1de1 s VAL 42 Ca 0.00 0.07 -0.16 0.00 0.00 0.00 0.00 61.98 61.89 1de1 s VAL 42 Cb 0.00 -0.69 -0.01 0.00 0.00 0.00 0.00 36.38 35.67 1de1 s VAL 42 CO 0.00 -0.02 1.14 -0.36 0.00 0.00 0.00 175.10 175.86 1de1 s PHE 43 N 2.54 2.54 -0.75 5.22 0.40 -1.26 -3.58 117.98 123.09 1de1 s PHE 43 Ca 0.05 1.55 -0.16 0.00 -0.60 0.00 0.00 56.93 57.78 1de1 s PHE 43 Cb -0.14 -3.27 0.17 0.00 0.51 0.00 0.00 43.02 40.30 1de1 s PHE 43 CO -0.13 -1.82 0.76 0.34 0.70 0.00 0.00 175.22 175.07 1de1 s ASP 44 N -2.21 6.53 0.59 1.36 -1.08 0.31 -4.90 116.67 117.26 1de1 s ASP 44 Ca 0.70 -2.20 0.29 0.00 -0.52 0.00 0.00 52.55 50.82 1de1 s ASP 44 Cb -0.23 -2.25 1.40 0.00 -1.46 0.00 0.00 42.92 40.37 1de1 s ASP 44 CO 0.37 -0.80 1.79 -2.24 0.52 0.00 0.00 175.17 174.82 1de1 h ASP 45 N 8.40 0.00 -0.21 -0.34 3.04 -1.94 -0.20 116.42 125.16 1de1 h ASP 45 Ca -0.03 0.00 0.02 0.00 -3.24 0.00 0.00 57.03 53.78 1de1 h ASP 45 Cb 1.06 0.00 -0.02 0.00 -1.04 0.00 0.00 39.33 39.32 1de1 h ASP 45 CO 0.92 0.00 0.06 -0.33 -2.04 0.00 0.00 179.24 177.85 1de1 h GLU 46 N 0.00 0.14 0.04 4.15 5.08 -1.96 0.48 114.58 122.51 1de1 h GLU 46 Ca 0.30 -0.01 -0.12 0.00 -1.00 0.00 0.00 59.36 58.54 1de1 h GLU 46 Cb 1.58 -0.03 0.01 0.00 0.50 0.00 0.00 28.75 30.81 1de1 h GLU 46 CO -0.00 0.09 -0.47 0.87 -1.00 0.00 0.00 179.01 178.50 1de1 h LYS 47 N 0.15 0.25 -0.83 2.33 1.57 -1.44 -2.95 116.57 115.64 1de1 h LYS 47 Ca 0.09 -0.32 0.10 0.00 -1.87 0.00 0.00 60.65 58.65 1de1 h LYS 47 Cb 0.08 0.10 -0.07 0.00 0.08 0.00 0.00 32.23 32.42 1de1 h LYS 47 CO -0.11 1.07 0.47 0.82 -0.57 0.00 0.00 179.45 181.13 1de1 h ILE 48 N -0.42 0.90 0.41 1.86 5.03 -1.27 0.82 117.51 124.84 1de1 h ILE 48 Ca -0.07 -0.27 -0.02 0.00 -0.12 0.00 0.00 64.86 64.38 1de1 h ILE 48 Cb 1.27 0.05 0.00 0.00 -3.03 0.00 0.00 36.82 35.11 1de1 h ILE 48 CO 0.09 0.14 -0.20 0.00 -0.68 0.00 0.00 178.15 177.51 1de1 h ALA 49 N 1.46 -0.56 -0.74 1.87 0.00 -0.10 -1.44 119.26 119.75 1de1 h ALA 49 Ca 0.40 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 55.13 1de1 h ALA 49 Cb 0.38 0.22 -0.04 0.00 0.00 0.00 0.00 17.79 18.35 1de1 h ALA 49 CO -0.25 -0.74 0.38 1.49 0.00 0.00 0.00 179.25 180.12 1de1 h GLU 50 N -0.69 1.04 -0.02 0.00 4.81 -1.27 -2.79 114.58 115.66 1de1 h GLU 50 Ca -0.06 -0.13 0.02 0.00 -0.13 0.00 0.00 59.36 59.06 1de1 h GLU 50 Cb 0.50 -0.20 -0.02 0.00 0.63 0.00 0.00 28.75 29.66 1de1 h GLU 50 CO 0.09 0.79 -0.09 1.25 -0.73 0.00 0.00 179.01 180.32 1de1 h LEU 51 N 1.04 -0.27 -0.64 1.64 7.12 0.80 0.94 115.31 125.96 1de1 h LEU 51 Ca 0.26 0.04 0.13 0.00 0.13 0.00 0.00 57.88 58.44 1de1 h LEU 51 Cb 0.07 0.12 -0.10 0.00 -0.53 0.00 0.00 40.66 40.22 1de1 h LEU 51 CO -0.04 -0.13 0.08 -0.07 -0.13 0.00 0.00 178.44 178.15 1de1 h LEU 52 N -0.15 -0.13 -0.66 2.25 3.38 -1.00 0.32 115.31 119.32 1de1 h LEU 52 Ca 0.04 0.14 -0.14 0.00 0.09 0.00 0.00 57.88 58.01 1de1 h LEU 52 Cb 0.21 0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.16 1de1 h LEU 52 CO -0.11 -0.06 -0.47 0.74 0.09 0.00 0.00 178.44 178.63 1de1 h THR 53 N 0.19 1.32 -0.13 0.22 2.02 -1.23 -2.72 112.91 112.58 1de1 h THR 53 Ca 0.34 -1.68 -0.01 0.00 0.77 0.00 0.00 66.41 65.83 1de1 h THR 53 Cb 0.55 1.69 -0.01 0.00 -1.74 0.00 0.00 68.15 68.64 1de1 h THR 53 CO -0.49 0.52 0.01 0.50 0.37 0.00 0.00 175.52 176.43 1de1 h LYS 54 N 0.38 0.17 -0.18 6.66 3.64 0.43 -2.02 116.57 125.66 1de1 h LYS 54 Ca 0.02 -0.02 -0.20 0.00 -1.27 0.00 0.00 60.65 59.18 1de1 h LYS 54 Cb 0.97 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.76 1de1 h LYS 54 CO 0.09 0.19 -0.69 -0.07 -2.27 0.00 0.00 179.45 176.69 1de1 h LEU 55 N 0.18 0.85 0.00 5.20 3.38 -0.24 -3.46 115.31 121.21 1de1 h LEU 55 Ca 0.04 -0.52 0.00 0.00 0.09 0.00 0.00 57.88 57.50 1de1 h LEU 55 Cb 0.11 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.61 1de1 h LEU 55 CO 0.00 1.30 0.00 0.61 0.09 0.00 0.00 178.44 180.44 1de1 n GLY 56 N 0.54 -0.91 1.37 0.83 0.00 -0.76 -4.94 105.19 101.32 1de1 n GLY 56 Ca -0.06 0.33 -0.02 0.00 0.00 0.00 0.00 46.02 46.27 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 0.00 0.13 0.00 1.61 1.74 -1.26 -4.57 116.66 114.31 1de1 n ARG 57 Ca 0.00 -1.55 0.00 0.00 -0.77 0.00 0.00 57.85 55.53 1de1 n ARG 57 Cb 0.00 0.19 0.00 0.00 -1.02 0.00 0.00 32.46 31.63 1de1 n ARG 57 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1de1 n ASP 58 N 0.12 0.25 -4.61 0.55 -0.08 -1.26 -5.13 116.55 106.39 1de1 n ASP 58 Ca -0.11 0.00 -0.28 0.00 -1.51 0.00 0.00 54.79 52.89 1de1 n ASP 58 Cb 0.91 0.00 -0.11 0.00 2.34 0.00 0.00 41.12 44.26 1de1 n ASP 58 CO 0.00 0.00 0.00 0.28 0.12 0.00 0.00 177.20 177.60 1de1 s THR 59 N 1.81 1.92 -0.74 5.18 -1.32 -1.26 -4.92 115.64 116.32 1de1 s THR 59 Ca 0.00 -2.00 -0.24 0.00 -1.21 0.00 0.00 61.69 58.24 1de1 s THR 59 Cb 0.00 -2.97 0.06 0.00 -1.51 0.00 0.00 72.50 68.08 1de1 s THR 59 CO 0.00 0.00 1.12 0.00 -2.21 0.00 0.00 174.62 173.53 1de1 s GLN 60 N -3.73 3.21 -1.18 7.08 -2.07 -1.26 -4.95 119.66 116.77 1de1 s GLN 60 Ca 0.35 -0.74 -0.20 0.00 -1.82 0.00 0.00 55.36 52.94 1de1 s GLN 60 Cb 0.10 -4.36 0.06 0.00 -1.09 0.00 0.00 33.01 27.72 1de1 s GLN 60 CO 0.18 -1.95 1.62 0.96 -1.32 0.00 0.00 175.29 174.78 1de1 s ILE 61 N 4.57 4.02 -2.01 3.63 -4.36 -1.26 -4.12 121.20 121.67 1de1 s ILE 61 Ca 0.29 -1.41 0.00 0.00 -0.26 0.00 0.00 60.65 59.27 1de1 s ILE 61 Cb -0.12 -5.12 0.00 0.00 1.25 0.00 0.00 42.46 38.47 1de1 s ILE 61 CO 0.08 -1.97 0.00 0.61 0.24 0.00 0.00 174.94 173.91 1de1 n GLY 62 N 6.04 1.00 3.69 6.27 0.00 -1.26 -4.87 105.19 116.06 1de1 n GLY 62 Ca 0.42 -0.02 -0.54 0.00 0.00 0.00 0.00 46.02 45.88 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 -2.58 2.70 -4.97 0.99 7.99 -1.26 -4.95 117.00 114.92 1de1 n LEU 63 Ca -0.22 1.05 -0.21 0.00 -0.01 0.00 0.00 56.01 56.62 1de1 n LEU 63 Cb 0.68 -1.23 -0.02 0.00 -0.11 0.00 0.00 43.42 42.74 1de1 n LEU 63 CO 0.30 -0.35 -0.01 0.42 -1.51 0.00 0.00 177.39 176.24 1de1 s THR 64 N 3.38 4.94 0.17 -5.08 -4.23 -1.26 -5.11 115.64 108.45 1de1 s THR 64 Ca 0.95 -0.98 0.07 0.00 -1.18 0.00 0.00 61.69 60.55 1de1 s THR 64 Cb -0.93 -3.74 -0.04 0.00 1.34 0.00 0.00 72.50 69.13 1de1 s THR 64 CO 0.59 -0.29 0.00 -0.04 -0.54 0.00 0.00 174.62 174.34 1de1 s MET 65 N -4.04 2.43 0.31 3.99 1.00 -1.26 -4.03 119.30 117.69 1de1 s MET 65 Ca 0.37 -1.08 -0.23 0.00 0.00 0.00 0.00 55.69 54.74 1de1 s MET 65 Cb -0.09 -2.38 -0.09 0.00 0.00 0.00 0.00 34.83 32.27 1de1 s MET 65 CO 0.30 0.46 0.88 -2.14 0.00 0.00 0.00 175.02 174.51 1de1 s PRO 66 N -2.91 4.44 -0.30 2.03 0.02 -1.26 -5.04 135.00 131.98 1de1 s PRO 66 Ca 0.27 1.16 -0.08 0.00 0.02 0.00 0.00 61.00 62.37 1de1 s PRO 66 Cb -0.09 -2.75 0.00 0.00 0.02 0.00 0.00 34.50 31.68 1de1 s PRO 66 CO 0.19 0.28 0.11 -0.65 -0.33 0.00 0.00 177.00 176.59 1de1 s GLN 67 N -2.18 3.18 0.57 5.54 1.11 0.31 -4.08 119.66 124.11 1de1 s GLN 67 Ca 0.50 -0.81 -0.05 0.00 0.01 0.00 0.00 55.36 55.00 1de1 s GLN 67 Cb -0.17 -3.45 0.01 0.00 -1.01 0.00 0.00 33.01 28.39 1de1 s GLN 67 CO 0.22 -0.44 0.87 0.08 0.01 0.00 0.00 175.29 176.03 1de1 s VAL 68 N 1.54 3.72 -0.05 1.09 1.01 0.19 0.17 120.40 128.07 1de1 s VAL 68 Ca 0.03 -0.06 -0.02 0.00 0.00 0.00 0.00 61.98 61.94 1de1 s VAL 68 Cb -0.17 -3.46 0.03 0.00 0.00 0.00 0.00 36.38 32.78 1de1 s VAL 68 CO 0.04 -0.46 0.10 -0.36 0.00 0.00 0.00 175.10 174.42 1de1 s PHE 69 N -2.93 -0.09 0.38 5.22 0.40 0.21 -2.60 117.98 118.57 1de1 s PHE 69 Ca 0.53 0.35 -0.24 0.00 -0.60 0.00 0.00 56.93 56.97 1de1 s PHE 69 Cb -0.10 -0.14 -0.13 0.00 0.51 0.00 0.00 43.02 43.15 1de1 s PHE 69 CO 0.44 -0.14 0.62 0.00 0.70 0.00 0.00 175.22 176.85 1de1 n ALA 70 N 4.18 -1.39 0.35 5.36 0.00 0.40 -1.37 120.51 128.05 1de1 n ALA 70 Ca -0.27 0.22 0.10 0.00 0.00 0.00 0.00 53.44 53.50 1de1 n ALA 70 Cb 0.51 -1.80 0.45 0.00 0.00 0.00 0.00 19.45 18.61 1de1 n ALA 70 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1de1 n PRO 71 N 0.64 0.14 -0.04 0.00 -0.04 -1.26 -1.99 135.00 132.45 1de1 n PRO 71 Ca 0.12 0.43 0.03 0.00 -0.04 0.00 0.00 63.50 64.04 1de1 n PRO 71 Cb 0.37 -1.80 -0.16 0.00 -0.04 0.00 0.00 33.50 31.87 1de1 n PRO 71 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1de1 n ASP 72 N -2.07 0.05 0.00 3.54 5.75 -1.26 -2.58 116.55 119.99 1de1 n ASP 72 Ca 0.02 0.02 0.00 0.00 -0.01 0.00 0.00 54.79 54.82 1de1 n ASP 72 Cb 0.17 1.53 0.00 0.00 -1.03 0.00 0.00 41.12 41.79 1de1 n ASP 72 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1de1 n GLY 73 N 1.44 1.13 3.61 6.12 0.00 -0.84 -5.10 105.19 111.56 1de1 n GLY 73 Ca -0.15 -0.45 -0.01 0.00 0.00 0.00 0.00 46.02 45.41 1de1 n GLY 73 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1de1 s SER 74 N 0.00 -0.05 -0.43 1.61 0.01 -1.25 -4.89 113.70 108.71 1de1 s SER 74 Ca 0.00 -0.02 -0.22 0.00 1.31 0.00 0.00 55.95 57.03 1de1 s SER 74 Cb 0.00 0.06 0.02 0.00 0.21 0.00 0.00 66.02 66.31 1de1 s SER 74 CO 0.00 -0.10 0.70 -2.28 0.41 0.00 0.00 173.24 171.96 1de1 s HIS 75 N -2.17 3.05 -0.17 2.43 2.46 -1.26 0.15 115.29 119.79 1de1 s HIS 75 Ca 0.12 0.10 -0.22 0.00 0.47 0.00 0.00 55.06 55.53 1de1 s HIS 75 Cb 0.01 -3.43 -0.20 0.00 -0.13 0.00 0.00 32.58 28.84 1de1 s HIS 75 CO -0.04 -0.87 0.42 0.82 -2.47 0.00 0.00 174.74 172.60 1de1 h ILE 76 N 5.88 1.17 0.00 0.89 2.04 -1.83 -3.46 117.51 122.20 1de1 h ILE 76 Ca -0.25 -2.09 0.00 0.00 1.00 0.00 0.00 64.86 63.52 1de1 h ILE 76 Cb 1.09 2.43 0.00 0.00 -0.74 0.00 0.00 36.82 39.60 1de1 h ILE 76 CO 0.91 0.40 0.00 0.61 0.00 0.00 0.00 178.15 180.07 1de1 n GLY 77 N 1.55 0.55 0.00 5.37 0.00 -1.21 -4.59 105.19 106.87 1de1 n GLY 77 Ca -0.19 -1.96 0.00 0.00 0.00 0.00 0.00 46.02 43.88 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 0.98 0.30 -0.02 0.00 -1.26 0.54 105.19 105.73 1de1 n GLY 78 Ca 0.00 -1.65 -0.11 0.00 0.00 0.00 0.00 46.02 44.26 1de1 n GLY 78 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1de1 h PHE 79 N 0.00 -0.69 -0.88 1.61 3.57 -1.90 -1.88 116.94 116.77 1de1 h PHE 79 Ca 0.00 -0.02 0.13 0.00 3.53 0.00 0.00 57.97 61.61 1de1 h PHE 79 Cb 0.00 0.23 -0.09 0.00 2.79 0.00 0.00 35.95 38.88 1de1 h PHE 79 CO 0.00 -0.43 0.50 0.22 -2.23 0.00 0.00 178.31 176.37 1de1 h ASP 80 N -0.88 0.68 -0.82 0.41 3.58 -1.97 -0.37 116.42 117.05 1de1 h ASP 80 Ca -0.08 0.07 0.08 0.00 0.42 0.00 0.00 57.03 57.52 1de1 h ASP 80 Cb 0.57 -0.06 -0.07 0.00 1.72 0.00 0.00 39.33 41.50 1de1 h ASP 80 CO 0.13 0.34 0.49 1.56 -2.88 0.00 0.00 179.24 178.87 1de1 h GLN 81 N 0.77 0.82 -0.15 0.28 7.50 -1.87 -2.24 115.11 120.23 1de1 h GLN 81 Ca 0.46 -0.05 -0.01 0.00 0.50 0.00 0.00 58.65 59.55 1de1 h GLN 81 Cb 0.54 -0.19 -0.01 0.00 0.05 0.00 0.00 27.48 27.87 1de1 h GLN 81 CO -0.30 0.54 0.06 1.25 -1.50 0.00 0.00 178.83 178.88 1de1 h LEU 82 N 0.85 0.20 -1.97 1.46 5.85 -0.22 -1.91 115.31 119.57 1de1 h LEU 82 Ca 0.38 -0.17 0.24 0.00 0.84 0.00 0.00 57.88 59.17 1de1 h LEU 82 Cb 0.28 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.22 1de1 h LEU 82 CO -0.21 0.31 0.62 -0.09 -0.34 0.00 0.00 178.44 178.73 1de1 h ARG 83 N 0.08 0.00 0.01 1.25 2.43 -0.82 1.31 114.38 118.64 1de1 h ARG 83 Ca 0.05 0.00 -0.21 0.00 -0.81 0.00 0.00 59.98 59.00 1de1 h ARG 83 Cb 0.18 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.72 1de1 h ARG 83 CO -0.00 0.00 -0.93 0.93 -1.51 0.00 0.00 179.97 178.46 1de1 h GLU 84 N 0.00 0.29 -0.15 0.20 4.39 -0.98 0.92 114.58 119.26 1de1 h GLU 84 Ca 0.39 -0.32 -0.08 0.00 0.34 0.00 0.00 59.36 59.68 1de1 h GLU 84 Cb 1.63 0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 30.36 1de1 h GLU 84 CO -0.00 1.03 -0.28 -0.92 -1.16 0.00 0.00 179.01 177.68 1de1 h TYR 85 N 0.16 0.30 0.00 4.33 5.03 0.22 -3.35 116.97 123.67 1de1 h TYR 85 Ca -0.06 -0.06 0.00 0.00 2.58 0.00 0.00 58.73 61.19 1de1 h TYR 85 Cb 1.56 -0.08 0.00 0.00 1.55 0.00 0.00 36.73 39.77 1de1 h TYR 85 CO 0.04 0.53 -0.01 1.19 -1.32 0.00 0.00 178.16 178.60 1de1 n PHE 86 N -4.13 0.02 -0.29 -3.82 3.72 0.33 -5.10 117.46 108.19 1de1 n PHE 86 Ca -0.01 0.01 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 1de1 n PHE 86 Cb 0.39 -0.24 0.00 0.00 -0.94 0.00 0.00 39.48 38.68 1de1 n PHE 86 CO 0.00 0.00 0.00 0.36 -0.05 0.00 0.00 176.76 177.07