#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 3.37 -0.26 1.12 0.40 -1.00 -2.74 117.98 118.87 1de1 s PHE 2 Ca 0.00 1.61 -0.05 0.00 -0.60 0.00 0.00 56.93 57.89 1de1 s PHE 2 Cb 0.00 -2.84 0.00 0.00 0.51 0.00 0.00 43.02 40.69 1de1 s PHE 2 CO 0.00 -0.05 0.03 0.15 0.70 0.00 0.00 175.22 176.05 1de1 s LYS 3 N -3.00 3.23 -0.23 0.44 3.01 0.90 0.63 119.74 124.72 1de1 s LYS 3 Ca 0.60 -0.75 -0.09 0.00 -1.01 0.00 0.00 55.97 54.72 1de1 s LYS 3 Cb -0.10 -3.21 -0.04 0.00 -1.01 0.00 0.00 37.83 33.46 1de1 s LYS 3 CO 0.15 -0.33 0.12 0.08 0.51 0.00 0.00 175.35 175.88 1de1 s VAL 4 N 1.49 5.01 -0.55 3.17 1.01 -0.91 0.11 120.40 129.73 1de1 s VAL 4 Ca 0.04 0.05 -0.14 0.00 0.00 0.00 0.00 61.98 61.93 1de1 s VAL 4 Cb -0.16 -3.32 0.13 0.00 0.00 0.00 0.00 36.38 33.04 1de1 s VAL 4 CO 0.00 0.37 0.48 -0.31 0.00 0.00 0.00 175.10 175.64 1de1 s TYR 5 N 1.00 3.34 0.00 5.22 1.51 0.46 -1.28 117.35 127.61 1de1 s TYR 5 Ca 0.06 -1.52 0.00 0.00 -1.01 0.00 0.00 57.07 54.60 1de1 s TYR 5 Cb -0.14 -3.72 0.00 0.00 -0.11 0.00 0.00 41.96 38.00 1de1 s TYR 5 CO 0.04 -1.01 0.00 0.41 -1.11 0.00 0.00 175.55 173.88 1de1 n GLY 6 N 5.04 3.11 3.24 0.71 0.00 -0.98 0.10 105.19 116.41 1de1 n GLY 6 Ca -0.10 -0.05 -0.24 0.00 0.00 0.00 0.00 46.02 45.63 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 0.44 1.68 -0.26 1.61 2.02 -1.26 -2.81 117.35 118.76 1de1 s TYR 7 Ca 0.00 -0.39 0.13 0.00 -0.37 0.00 0.00 57.07 56.44 1de1 s TYR 7 Cb 0.00 -0.96 0.76 0.00 -0.40 0.00 0.00 41.96 41.36 1de1 s TYR 7 CO 0.00 0.12 1.72 -3.47 -1.57 0.00 0.00 175.55 172.36 1de1 n ASP 8 N 1.53 5.19 0.00 2.29 -0.08 -1.26 -4.84 116.55 119.39 1de1 n ASP 8 Ca -0.18 -3.05 0.00 0.00 -1.51 0.00 0.00 54.79 50.05 1de1 n ASP 8 Cb 0.54 -0.69 0.00 0.00 2.34 0.00 0.00 41.12 43.31 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 0.21 -4.55 -0.03 1.67 2.88 -0.95 -4.84 113.62 108.01 1de1 n SER 9 Ca 0.31 0.00 -0.20 0.00 -1.33 0.00 0.00 58.87 57.65 1de1 n SER 9 Cb 1.21 -2.40 -0.13 0.00 -0.75 0.00 0.00 64.21 62.14 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 0.22 0.00 -3.46 4.21 -1.98 -3.42 115.58 111.15 1de1 h ASN 10 Ca 0.00 -0.80 -0.20 0.00 1.21 0.00 0.00 56.30 56.51 1de1 h ASN 10 Cb 0.60 -0.07 -0.04 0.00 -1.12 0.00 0.00 38.32 37.69 1de1 h ASN 10 CO 0.00 1.46 -1.76 -0.38 -1.29 0.00 0.00 177.43 175.47 1de1 n ILE 11 N -4.18 0.76 -4.02 2.81 -0.00 -1.26 -5.04 119.36 108.43 1de1 n ILE 11 Ca -0.23 -0.41 -0.09 0.00 -0.00 0.00 0.00 62.75 62.02 1de1 n ILE 11 Cb 0.77 -0.81 -0.11 0.00 -0.00 0.00 0.00 39.64 39.49 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 -2.27 0.39 0.88 1.39 2.46 -1.26 -4.98 115.29 111.91 1de1 s HIS 12 Ca -0.10 -0.65 -0.14 0.00 0.47 0.00 0.00 55.06 54.64 1de1 s HIS 12 Cb 0.04 -0.27 0.13 0.00 -0.13 0.00 0.00 32.58 32.35 1de1 s HIS 12 CO 0.40 -0.21 1.23 -1.59 -2.47 0.00 0.00 174.74 172.10 1de1 s LYS 13 N -2.06 1.33 -0.30 2.88 0.00 -1.26 -2.25 119.74 118.07 1de1 s LYS 13 Ca -0.10 -0.07 -0.17 0.00 0.00 0.00 0.00 55.97 55.63 1de1 s LYS 13 Cb -0.06 -1.89 0.18 0.00 0.00 0.00 0.00 37.83 36.06 1de1 s LYS 13 CO -0.03 -2.00 1.16 0.00 0.00 0.00 0.00 175.35 174.48 1de1 n VAL 15 N 4.81 1.24 0.44 0.00 0.24 -1.26 -3.99 118.33 119.81 1de1 n VAL 15 Ca -0.08 -0.71 0.12 0.00 -2.04 0.00 0.00 64.34 61.64 1de1 n VAL 15 Cb 0.54 -0.77 0.17 0.00 -1.47 0.00 0.00 33.84 32.31 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 -0.18 6.34 0.05 -1.96 -3.32 116.97 117.91 1de1 h TYR 16 Ca -0.18 0.00 -0.17 0.00 0.05 0.00 0.00 58.73 58.42 1de1 h TYR 16 Cb 1.64 0.00 0.01 0.00 1.01 0.00 0.00 36.73 39.39 1de1 h TYR 16 CO 0.00 0.00 -0.57 0.00 -1.05 0.00 0.00 178.16 176.54 1de1 h ASP 18 N 0.40 0.34 0.09 0.00 3.58 -1.71 -2.61 116.42 116.51 1de1 h ASP 18 Ca -0.02 -0.11 -0.00 0.00 0.42 0.00 0.00 57.03 57.32 1de1 h ASP 18 Cb 1.19 -0.09 0.00 0.00 1.72 0.00 0.00 39.33 42.15 1de1 h ASP 18 CO 0.12 0.60 -0.04 0.78 -2.88 0.00 0.00 179.24 177.81 1de1 h ASN 19 N 0.31 -0.10 -0.84 2.28 2.35 -1.64 -2.93 115.58 115.01 1de1 h ASN 19 Ca 0.05 -0.49 0.12 0.00 -0.55 0.00 0.00 56.30 55.43 1de1 h ASN 19 Cb 0.61 0.03 -0.08 0.00 0.05 0.00 0.00 38.32 38.92 1de1 h ASN 19 CO 0.04 0.51 0.46 0.00 -1.65 0.00 0.00 177.43 176.79 1de1 h ALA 20 N -0.08 1.23 0.23 -0.83 0.00 -1.40 -0.15 119.26 118.28 1de1 h ALA 20 Ca -0.01 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1de1 h ALA 20 Cb 0.58 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1de1 h ALA 20 CO 0.02 0.01 -0.11 -0.22 0.00 0.00 0.00 179.25 178.95 1de1 h LYS 21 N 0.71 -0.30 -0.54 0.00 3.64 -1.55 -2.15 116.57 116.38 1de1 h LYS 21 Ca 0.43 0.02 0.04 0.00 -1.27 0.00 0.00 60.65 59.87 1de1 h LYS 21 Cb 0.50 0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 32.36 1de1 h LYS 21 CO -0.30 -0.18 0.36 -0.09 -2.27 0.00 0.00 179.45 176.97 1de1 h ARG 22 N -0.34 0.56 0.63 1.90 2.43 -1.20 -0.34 114.38 118.02 1de1 h ARG 22 Ca -0.03 -0.03 -0.03 0.00 -0.81 0.00 0.00 59.98 59.08 1de1 h ARG 22 Cb 0.26 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 29.69 1de1 h ARG 22 CO 0.05 0.37 -0.33 1.25 -1.51 0.00 0.00 179.97 179.80 1de1 h LEU 23 N 0.57 -0.79 -0.89 3.80 6.46 -0.59 0.95 115.31 124.81 1de1 h LEU 23 Ca 0.23 0.03 -0.02 0.00 -0.12 0.00 0.00 57.88 58.00 1de1 h LEU 23 Cb 0.18 0.22 -0.04 0.00 -0.73 0.00 0.00 40.66 40.28 1de1 h LEU 23 CO -0.06 -0.54 0.50 -0.07 -0.62 0.00 0.00 178.44 177.65 1de1 h LEU 24 N -0.88 1.11 -1.40 2.25 3.38 -1.01 0.59 115.31 119.35 1de1 h LEU 24 Ca -0.08 -0.09 -0.00 0.00 0.09 0.00 0.00 57.88 57.79 1de1 h LEU 24 Cb 0.69 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 41.13 1de1 h LEU 24 CO 0.12 0.88 0.31 0.74 0.09 0.00 0.00 178.44 180.59 1de1 h THR 25 N 1.25 1.15 0.08 0.22 2.02 -0.87 -0.99 112.91 115.78 1de1 h THR 25 Ca 0.32 -0.36 -0.25 0.00 0.77 0.00 0.00 66.41 66.89 1de1 h THR 25 Cb 0.01 0.42 -0.01 0.00 -1.74 0.00 0.00 68.15 66.83 1de1 h THR 25 CO -0.05 0.16 -1.16 0.58 0.37 0.00 0.00 175.52 175.42 1de1 h VAL 26 N 0.73 1.58 0.00 3.16 2.07 0.22 -3.18 116.25 120.83 1de1 h VAL 26 Ca 0.19 -3.20 0.00 0.00 0.82 0.00 0.00 66.70 64.51 1de1 h VAL 26 Cb -0.01 2.91 0.00 0.00 -1.52 0.00 0.00 31.29 32.66 1de1 h VAL 26 CO -0.03 0.92 0.00 0.29 0.02 0.00 0.00 177.57 178.77 1de1 n LYS 27 N -3.46 0.01 -3.08 1.57 4.76 0.20 -4.89 118.16 113.27 1de1 n LYS 27 Ca -0.05 0.20 -0.13 0.00 -2.87 0.00 0.00 58.31 55.46 1de1 n LYS 27 Cb 0.99 -1.51 0.04 0.00 -1.84 0.00 0.00 35.03 32.71 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 -1.53 -4.34 -4.71 1.97 4.76 -0.46 -5.04 118.16 108.81 1de1 n LYS 28 Ca 0.04 0.46 -0.24 0.00 -2.87 0.00 0.00 58.31 55.70 1de1 n LYS 28 Cb 0.21 -4.37 -0.16 0.00 -1.84 0.00 0.00 35.03 28.88 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 -5.64 1.46 0.55 1.97 1.11 -0.84 -5.06 119.66 113.21 1de1 s GLN 29 Ca 0.30 -0.53 -0.15 0.00 0.01 0.00 0.00 55.36 54.99 1de1 s GLN 29 Cb -0.13 -1.32 -0.06 0.00 -1.01 0.00 0.00 33.01 30.49 1de1 s GLN 29 CO 0.40 0.24 1.01 -1.25 0.01 0.00 0.00 175.29 175.70 1de1 s PRO 30 N -0.03 3.74 0.26 2.91 0.04 -1.26 -4.43 135.00 136.23 1de1 s PRO 30 Ca -0.01 0.96 -0.21 0.00 0.04 0.00 0.00 61.00 61.77 1de1 s PRO 30 Cb -0.09 -2.10 0.03 0.00 0.04 0.00 0.00 34.50 32.38 1de1 s PRO 30 CO 0.01 -0.45 0.78 -0.59 0.04 0.00 0.00 177.00 176.78 1de1 s PHE 31 N -2.72 -0.15 -0.02 0.56 -0.71 -1.26 -2.39 117.98 111.29 1de1 s PHE 31 Ca 0.59 -0.30 0.03 0.00 -1.04 0.00 0.00 56.93 56.21 1de1 s PHE 31 Cb -0.11 0.71 -0.00 0.00 -1.21 0.00 0.00 43.02 42.40 1de1 s PHE 31 CO 0.37 -1.19 -0.09 -2.00 -1.34 0.00 0.00 175.22 170.98 1de1 s GLU 32 N -3.65 0.88 0.41 1.99 2.56 0.20 -4.78 118.70 116.32 1de1 s GLU 32 Ca 0.12 -0.31 -0.05 0.00 0.00 0.00 0.00 54.97 54.73 1de1 s GLU 32 Cb -0.05 -0.83 -0.04 0.00 2.00 0.00 0.00 34.13 35.21 1de1 s GLU 32 CO 0.06 0.14 0.70 0.12 -0.56 0.00 0.00 175.26 175.73 1de1 s PHE 33 N 0.04 3.52 -0.13 5.30 5.36 -1.26 -2.15 117.98 128.67 1de1 s PHE 33 Ca -0.01 0.74 -0.05 0.00 -0.96 0.00 0.00 56.93 56.65 1de1 s PHE 33 Cb -0.07 -2.22 0.06 0.00 -0.34 0.00 0.00 43.02 40.46 1de1 s PHE 33 CO 0.00 -0.11 0.27 0.42 -1.46 0.00 0.00 175.22 174.35 1de1 s ILE 34 N -2.50 -0.33 -0.18 3.12 1.01 -0.40 -4.85 121.20 117.06 1de1 s ILE 34 Ca 0.46 0.24 -0.18 0.00 0.00 0.00 0.00 60.65 61.17 1de1 s ILE 34 Cb -0.10 -0.45 -0.04 0.00 0.01 0.00 0.00 42.46 41.88 1de1 s ILE 34 CO 0.39 0.10 0.48 0.21 0.00 0.00 0.00 174.94 176.11 1de1 s ASN 35 N 2.14 6.56 0.00 3.58 3.84 -1.26 -2.32 114.94 127.48 1de1 s ASN 35 Ca -0.02 0.67 0.25 0.00 0.21 0.00 0.00 52.86 53.98 1de1 s ASN 35 Cb -0.12 -2.28 0.54 0.00 -0.55 0.00 0.00 41.25 38.85 1de1 s ASN 35 CO -0.09 -0.11 1.43 2.30 -2.79 0.00 0.00 177.10 177.85 1de1 n ILE 36 N 4.26 0.00 -3.72 -5.21 -5.35 -1.12 -4.57 119.36 103.65 1de1 n ILE 36 Ca -0.06 -0.11 -0.28 0.00 -0.27 0.00 0.00 62.75 62.02 1de1 n ILE 36 Cb 0.51 0.52 -0.12 0.00 -1.74 0.00 0.00 39.64 38.81 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 -2.63 1.76 -0.19 6.28 0.00 -1.26 0.12 119.30 123.37 1de1 s MET 37 Ca 0.20 -2.69 0.03 0.00 0.00 0.00 0.00 55.69 53.23 1de1 s MET 37 Cb 0.19 -2.63 0.35 0.00 0.00 0.00 0.00 34.83 32.74 1de1 s MET 37 CO 0.59 -1.28 1.37 -0.35 0.00 0.00 0.00 175.02 175.34 1de1 n PRO 38 N 2.59 1.97 -4.16 4.11 -0.04 -1.25 -4.75 135.00 133.47 1de1 n PRO 38 Ca 0.20 -1.51 -0.10 0.00 -0.04 0.00 0.00 63.50 62.05 1de1 n PRO 38 Cb 0.38 -1.66 -0.10 0.00 -0.04 0.00 0.00 33.50 32.08 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 -1.69 0.95 0.00 0.54 -6.30 -1.24 -5.01 118.70 105.94 1de1 s GLU 39 Ca 0.28 -1.45 0.00 0.00 -2.50 0.00 0.00 54.97 51.30 1de1 s GLU 39 Cb 0.23 0.18 0.00 0.00 0.00 0.00 0.00 34.13 34.53 1de1 s GLU 39 CO 0.06 -0.24 0.87 1.17 0.02 0.00 0.00 175.26 177.14 1de1 n LYS 40 N -0.11 0.00 0.00 4.30 4.81 -1.26 -3.88 118.16 122.01 1de1 n LYS 40 Ca -0.06 0.38 0.00 0.00 -0.87 0.00 0.00 58.31 57.76 1de1 n LYS 40 Cb 0.64 -1.52 0.00 0.00 0.02 0.00 0.00 35.03 34.16 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 -1.37 0.00 3.22 3.14 0.00 -1.26 -5.08 105.19 103.84 1de1 n GLY 41 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.18 1.11 1.61 1.01 -1.25 -5.16 120.40 117.54 1de1 s VAL 42 Ca 0.00 0.13 -0.13 0.00 0.00 0.00 0.00 61.98 61.99 1de1 s VAL 42 Cb 0.00 -0.58 0.25 0.00 0.00 0.00 0.00 36.38 36.06 1de1 s VAL 42 CO 0.00 0.05 1.05 -0.36 0.00 0.00 0.00 175.10 175.84 1de1 s PHE 43 N 1.71 1.55 -0.46 5.22 0.40 -1.26 -3.73 117.98 121.41 1de1 s PHE 43 Ca -0.07 1.17 -0.16 0.00 -0.60 0.00 0.00 56.93 57.27 1de1 s PHE 43 Cb -0.10 -3.15 0.06 0.00 0.51 0.00 0.00 43.02 40.34 1de1 s PHE 43 CO -0.12 -3.58 0.41 0.34 0.70 0.00 0.00 175.22 172.97 1de1 s ASP 44 N -2.75 6.15 0.60 1.36 2.15 0.32 -4.80 116.67 119.70 1de1 s ASP 44 Ca 0.68 -1.12 0.33 0.00 0.43 0.00 0.00 52.55 52.86 1de1 s ASP 44 Cb -0.23 -2.20 1.89 0.00 -0.30 0.00 0.00 42.92 42.08 1de1 s ASP 44 CO 0.63 -0.63 2.25 -2.24 -0.17 0.00 0.00 175.17 175.00 1de1 h ASP 45 N 8.76 0.00 0.49 -0.34 3.04 -1.93 -0.32 116.42 126.11 1de1 h ASP 45 Ca -0.28 0.00 -0.02 0.00 -3.24 0.00 0.00 57.03 53.49 1de1 h ASP 45 Cb 1.11 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.41 1de1 h ASP 45 CO 0.85 0.02 -0.23 -0.33 -2.04 0.00 0.00 179.24 177.51 1de1 h GLU 46 N 0.00 -0.63 -0.27 4.15 5.08 -1.98 -2.16 114.58 118.77 1de1 h GLU 46 Ca -0.00 0.04 -0.06 0.00 -1.00 0.00 0.00 59.36 58.35 1de1 h GLU 46 Cb 0.06 0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.45 1de1 h GLU 46 CO 0.00 -0.38 -0.06 0.87 -1.00 0.00 0.00 179.01 178.44 1de1 h LYS 47 N -1.14 0.51 -0.28 2.33 1.57 -1.93 -2.78 116.57 114.86 1de1 h LYS 47 Ca -0.07 -0.19 0.08 0.00 -1.87 0.00 0.00 60.65 58.60 1de1 h LYS 47 Cb 0.54 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.81 1de1 h LYS 47 CO 0.11 0.72 0.21 0.82 -0.57 0.00 0.00 179.45 180.74 1de1 h ILE 48 N 0.26 0.80 0.48 1.86 5.03 -1.18 0.18 117.51 124.95 1de1 h ILE 48 Ca 0.07 0.00 -0.02 0.00 -0.12 0.00 0.00 64.86 64.78 1de1 h ILE 48 Cb 0.53 0.85 0.00 0.00 -3.03 0.00 0.00 36.82 35.17 1de1 h ILE 48 CO 0.03 0.00 -0.23 0.00 -0.68 0.00 0.00 178.15 177.27 1de1 h ALA 49 N 1.84 -0.74 -0.27 1.87 0.00 -1.11 -2.10 119.26 118.74 1de1 h ALA 49 Ca 0.13 -0.14 0.01 0.00 0.00 0.00 0.00 54.91 54.91 1de1 h ALA 49 Cb 0.55 0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 1de1 h ALA 49 CO -0.00 -0.69 0.18 1.05 0.00 0.00 0.00 179.25 179.79 1de1 h GLU 50 N -0.99 0.32 0.29 0.00 4.11 -1.33 -2.39 114.58 114.58 1de1 h GLU 50 Ca -0.07 -0.02 -0.01 0.00 0.07 0.00 0.00 59.36 59.33 1de1 h GLU 50 Cb 0.49 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.67 1de1 h GLU 50 CO 0.11 0.21 -0.15 1.25 0.07 0.00 0.00 179.01 180.50 1de1 h LEU 51 N 0.33 -0.36 -0.81 3.06 7.12 -0.65 0.43 115.31 124.42 1de1 h LEU 51 Ca 0.11 0.02 0.19 0.00 0.13 0.00 0.00 57.88 58.32 1de1 h LEU 51 Cb 0.03 0.10 -0.12 0.00 -0.53 0.00 0.00 40.66 40.14 1de1 h LEU 51 CO -0.02 -0.25 0.22 -0.07 -0.13 0.00 0.00 178.44 178.18 1de1 h LEU 52 N -0.41 0.04 -0.63 2.25 3.38 -0.85 0.68 115.31 119.77 1de1 h LEU 52 Ca -0.04 0.17 -0.14 0.00 0.09 0.00 0.00 57.88 57.96 1de1 h LEU 52 Cb 0.32 0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.28 1de1 h LEU 52 CO 0.05 -0.07 -0.46 0.74 0.09 0.00 0.00 178.44 178.79 1de1 h THR 53 N 0.26 1.31 0.00 0.22 2.02 -1.31 -2.68 112.91 112.74 1de1 h THR 53 Ca 0.48 -1.66 -0.03 0.00 0.77 0.00 0.00 66.41 65.97 1de1 h THR 53 Cb 0.88 1.65 -0.00 0.00 -1.74 0.00 0.00 68.15 68.94 1de1 h THR 53 CO -0.57 0.52 -0.12 0.50 0.37 0.00 0.00 175.52 176.22 1de1 h LYS 54 N 0.43 0.00 0.12 6.66 1.63 0.48 -3.21 116.57 122.68 1de1 h LYS 54 Ca 0.03 0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 59.82 1de1 h LYS 54 Cb 0.97 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.60 1de1 h LYS 54 CO 0.09 0.12 -0.06 -0.07 -3.45 0.00 0.00 179.45 176.08 1de1 h LEU 55 N 0.00 -0.14 0.00 5.20 3.38 -0.30 -3.44 115.31 120.01 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 0.23 0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.01 1de1 h LEU 55 CO 0.02 0.05 0.00 0.61 0.09 0.00 0.00 178.44 179.21 1de1 n GLY 56 N 1.00 0.39 0.00 0.83 0.00 -1.06 -5.03 105.19 101.32 1de1 n GLY 56 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 1.83 -0.09 1.61 3.00 -1.22 -4.98 116.66 116.81 1de1 n ARG 57 Ca 0.00 0.00 -0.10 0.00 -0.01 0.00 0.00 57.85 57.74 1de1 n ARG 57 Cb 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 32.46 32.30 1de1 n ARG 57 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.63 177.23 1de1 n ASP 58 N -1.16 0.15 -4.95 0.55 5.68 -1.26 -3.91 116.55 111.65 1de1 n ASP 58 Ca 0.00 0.07 -0.23 0.00 -0.50 0.00 0.00 54.79 54.13 1de1 n ASP 58 Cb 0.00 0.83 0.00 0.00 -1.14 0.00 0.00 41.12 40.81 1de1 n ASP 58 CO 0.00 0.00 0.00 0.28 -1.33 0.00 0.00 177.20 176.15 1de1 s THR 59 N -2.52 4.47 -0.54 2.12 -1.32 -1.26 -4.91 115.64 111.68 1de1 s THR 59 Ca -0.09 -0.54 -0.13 0.00 -1.21 0.00 0.00 61.69 59.71 1de1 s THR 59 Cb 0.06 -3.63 0.13 0.00 -1.51 0.00 0.00 72.50 67.56 1de1 s THR 59 CO 0.83 -0.41 0.47 -1.10 -2.21 0.00 0.00 174.62 172.20 1de1 s GLN 60 N -4.41 2.86 -1.17 7.08 1.11 -1.26 -5.00 119.66 118.87 1de1 s GLN 60 Ca 0.44 -1.79 -0.20 0.00 0.01 0.00 0.00 55.36 53.82 1de1 s GLN 60 Cb -0.10 -4.18 0.05 0.00 -1.01 0.00 0.00 33.01 27.77 1de1 s GLN 60 CO 0.36 -1.28 1.64 0.96 0.01 0.00 0.00 175.29 176.98 1de1 s ILE 61 N 1.41 3.99 -1.07 1.08 -4.36 -1.26 -3.92 121.20 117.08 1de1 s ILE 61 Ca 0.05 -1.36 0.00 0.00 -0.26 0.00 0.00 60.65 59.08 1de1 s ILE 61 Cb -0.27 -5.07 0.00 0.00 1.25 0.00 0.00 42.46 38.36 1de1 s ILE 61 CO 0.01 -1.91 0.00 0.61 0.24 0.00 0.00 174.94 173.89 1de1 n GLY 62 N 6.06 0.78 3.73 6.27 0.00 -1.26 -4.95 105.19 115.81 1de1 n GLY 62 Ca 0.42 -0.50 -0.42 0.00 0.00 0.00 0.00 46.02 45.52 1de1 n GLY 62 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1de1 s LEU 63 N -2.66 4.37 0.30 0.99 1.98 -1.25 -5.00 118.68 117.40 1de1 s LEU 63 Ca 0.00 2.82 0.03 0.00 -2.89 0.00 0.00 54.13 54.09 1de1 s LEU 63 Cb 0.00 -3.61 -0.06 0.00 0.66 0.00 0.00 46.19 43.19 1de1 s LEU 63 CO 0.00 -0.92 0.08 0.42 -1.89 0.00 0.00 176.35 174.03 1de1 s THR 64 N 0.92 0.91 0.13 3.68 -4.23 -1.26 -5.10 115.64 110.68 1de1 s THR 64 Ca 0.71 -2.00 0.10 0.00 -1.18 0.00 0.00 61.69 59.33 1de1 s THR 64 Cb -0.48 -2.73 -0.04 0.00 1.34 0.00 0.00 72.50 70.59 1de1 s THR 64 CO 0.35 0.00 -0.24 -0.04 -0.54 0.00 0.00 174.62 174.15 1de1 s MET 65 N -3.95 1.52 0.16 3.99 -1.94 -1.26 -3.73 119.30 114.09 1de1 s MET 65 Ca 0.37 -1.31 -0.26 0.00 -1.71 0.00 0.00 55.69 52.78 1de1 s MET 65 Cb 0.08 -1.96 -0.08 0.00 2.01 0.00 0.00 34.83 34.88 1de1 s MET 65 CO 0.15 0.46 0.81 -1.25 -0.01 0.00 0.00 175.02 175.18 1de1 s PRO 66 N -2.12 4.61 -0.29 2.03 0.05 -1.26 -4.96 135.00 133.07 1de1 s PRO 66 Ca 0.16 1.22 -0.10 0.00 0.05 0.00 0.00 61.00 62.32 1de1 s PRO 66 Cb -0.10 -3.28 -0.04 0.00 0.05 0.00 0.00 34.50 31.13 1de1 s PRO 66 CO 0.07 0.51 0.17 -1.14 0.05 0.00 0.00 177.00 176.66 1de1 s GLN 67 N -0.96 3.74 0.41 4.56 2.00 0.28 -4.17 119.66 125.53 1de1 s GLN 67 Ca 0.37 -0.45 -0.03 0.00 -2.00 0.00 0.00 55.36 53.26 1de1 s GLN 67 Cb -0.23 -3.61 -0.04 0.00 0.80 0.00 0.00 33.01 29.93 1de1 s GLN 67 CO 0.27 -0.25 0.67 0.08 -0.50 0.00 0.00 175.29 175.55 1de1 s VAL 68 N 1.71 5.00 -0.01 1.34 1.01 0.27 0.18 120.40 129.89 1de1 s VAL 68 Ca 0.06 -0.11 -0.05 0.00 0.00 0.00 0.00 61.98 61.89 1de1 s VAL 68 Cb -0.16 -3.86 0.00 0.00 0.00 0.00 0.00 36.38 32.36 1de1 s VAL 68 CO 0.09 -0.69 0.10 -0.36 0.00 0.00 0.00 175.10 174.24 1de1 s PHE 69 N -2.52 0.01 0.81 5.22 0.08 0.31 -2.87 117.98 119.03 1de1 s PHE 69 Ca 0.44 -0.02 -0.13 0.00 0.12 0.00 0.00 56.93 57.34 1de1 s PHE 69 Cb -0.10 -0.04 0.09 0.00 -0.57 0.00 0.00 43.02 42.40 1de1 s PHE 69 CO 0.40 -0.18 1.19 0.00 -0.10 0.00 0.00 175.22 176.53 1de1 s ALA 70 N -0.82 1.83 -1.46 5.36 0.00 0.25 -0.07 121.76 126.85 1de1 s ALA 70 Ca -0.09 0.77 0.21 0.00 0.00 0.00 0.00 51.96 52.85 1de1 s ALA 70 Cb -0.05 -3.47 1.07 0.00 0.00 0.00 0.00 23.12 20.67 1de1 s ALA 70 CO 0.01 -2.30 1.67 -2.30 0.00 0.00 0.00 175.76 172.84 1de1 n PRO 71 N -3.41 0.32 0.00 0.00 -0.02 -1.11 -2.65 135.00 128.14 1de1 n PRO 71 Ca 0.13 0.08 0.02 0.00 -2.02 0.00 0.00 63.50 61.71 1de1 n PRO 71 Cb 0.51 -1.50 -0.02 0.00 -0.02 0.00 0.00 33.50 32.47 1de1 n PRO 71 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1de1 n ASP 72 N -1.27 0.41 0.00 2.55 8.00 -1.26 -4.76 116.55 120.22 1de1 n ASP 72 Ca 0.10 -0.71 0.00 0.00 0.71 0.00 0.00 54.79 54.90 1de1 n ASP 72 Cb 0.16 0.82 0.00 0.00 -0.02 0.00 0.00 41.12 42.08 1de1 n ASP 72 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1de1 n GLY 73 N 0.94 0.94 3.64 0.44 0.00 -1.08 -5.17 105.19 104.90 1de1 n GLY 73 Ca 0.01 -0.68 -0.02 0.00 0.00 0.00 0.00 46.02 45.33 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 -0.02 -0.24 1.61 0.01 -1.26 -4.87 113.70 108.92 1de1 s SER 74 Ca 0.00 0.01 -0.20 0.00 1.31 0.00 0.00 55.95 57.07 1de1 s SER 74 Cb 0.00 0.02 -0.02 0.00 0.21 0.00 0.00 66.02 66.23 1de1 s SER 74 CO 0.00 -0.03 0.60 -2.28 0.41 0.00 0.00 173.24 171.94 1de1 s HIS 75 N -1.70 3.30 -0.21 2.43 2.46 -1.26 0.88 115.29 121.18 1de1 s HIS 75 Ca 0.11 0.80 0.07 0.00 0.47 0.00 0.00 55.06 56.51 1de1 s HIS 75 Cb -0.01 -2.80 -0.18 0.00 -0.13 0.00 0.00 32.58 29.46 1de1 s HIS 75 CO -0.04 -0.28 -0.10 -0.89 -2.47 0.00 0.00 174.74 170.96 1de1 n ILE 76 N 5.07 1.30 0.00 0.89 -0.00 -1.14 -4.88 119.36 120.60 1de1 n ILE 76 Ca -0.02 -0.61 0.00 0.00 -0.00 0.00 0.00 62.75 62.12 1de1 n ILE 76 Cb 0.49 -1.00 0.00 0.00 -0.00 0.00 0.00 39.64 39.13 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 2.19 0.55 0.00 7.39 0.00 -1.21 -4.27 105.19 109.84 1de1 n GLY 77 Ca -0.37 -2.24 0.00 0.00 0.00 0.00 0.00 46.02 43.41 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 1.07 0.00 -0.02 0.00 -1.26 0.96 105.19 105.94 1de1 n GLY 78 Ca 0.00 -0.76 0.00 0.00 0.00 0.00 0.00 46.02 45.26 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 -0.09 1.61 7.35 -1.26 -2.08 117.46 122.99 1de1 n PHE 79 Ca 0.00 0.00 -0.07 0.00 -0.76 0.00 0.00 57.45 56.62 1de1 n PHE 79 Cb 0.00 -0.49 0.00 0.00 0.35 0.00 0.00 39.48 39.34 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 -0.03 -0.96 -2.13 1.82 -1.98 0.27 116.42 113.41 1de1 h ASP 80 Ca 0.00 0.06 0.13 0.00 -0.39 0.00 0.00 57.03 56.83 1de1 h ASP 80 Cb 0.00 0.08 -0.08 0.00 0.68 0.00 0.00 39.33 40.01 1de1 h ASP 80 CO 0.00 0.02 0.61 -0.61 -1.61 0.00 0.00 179.24 177.65 1de1 h GLN 81 N 0.15 0.85 -0.06 0.28 5.75 -1.90 -1.12 115.11 119.07 1de1 h GLN 81 Ca 0.15 -0.05 -0.23 0.00 -0.15 0.00 0.00 58.65 58.36 1de1 h GLN 81 Cb 0.17 -0.19 0.01 0.00 1.07 0.00 0.00 27.48 28.54 1de1 h GLN 81 CO -0.21 0.56 -0.90 1.25 -2.65 0.00 0.00 178.83 176.89 1de1 h LEU 82 N 0.88 0.78 -1.98 -2.39 6.46 -0.67 -3.00 115.31 115.39 1de1 h LEU 82 Ca 0.48 -0.57 0.23 0.00 -0.12 0.00 0.00 57.88 57.91 1de1 h LEU 82 Cb 0.59 -0.23 -0.03 0.00 -0.73 0.00 0.00 40.66 40.25 1de1 h LEU 82 CO -0.25 1.36 0.61 -0.09 -0.62 0.00 0.00 178.44 179.45 1de1 h ARG 83 N 0.39 0.00 -0.11 1.25 2.43 0.77 1.48 114.38 120.58 1de1 h ARG 83 Ca -0.08 0.00 -0.16 0.00 -0.81 0.00 0.00 59.98 58.93 1de1 h ARG 83 Cb 1.53 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 31.07 1de1 h ARG 83 CO 0.17 0.00 -0.60 0.93 -1.51 0.00 0.00 179.97 178.96 1de1 h GLU 84 N 0.00 0.37 -0.04 0.20 5.08 -1.33 1.17 114.58 120.04 1de1 h GLU 84 Ca 0.38 -0.25 -0.08 0.00 -1.00 0.00 0.00 59.36 58.41 1de1 h GLU 84 Cb 1.60 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.87 1de1 h GLU 84 CO -0.00 0.86 -0.33 -0.92 -1.00 0.00 0.00 179.01 177.62 1de1 h TYR 85 N 0.28 0.08 0.00 4.33 5.03 0.20 -2.69 116.97 124.20 1de1 h TYR 85 Ca -0.01 -0.02 0.00 0.00 2.58 0.00 0.00 58.73 61.29 1de1 h TYR 85 Cb 1.13 -0.02 0.00 0.00 1.55 0.00 0.00 36.73 39.39 1de1 h TYR 85 CO 0.03 0.40 -1.36 1.19 -1.32 0.00 0.00 178.16 177.11 1de1 n PHE 86 N -4.12 0.24 -0.40 -3.82 3.72 -0.37 -5.12 117.46 107.58 1de1 n PHE 86 Ca -0.02 0.07 0.00 0.00 -0.05 0.00 0.00 57.45 57.45 1de1 n PHE 86 Cb 0.39 -0.47 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