#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 3.24 -0.21 1.12 0.08 -0.99 -3.23 117.98 117.99 1de1 s PHE 2 Ca 0.00 1.64 -0.04 0.00 0.12 0.00 0.00 56.93 58.64 1de1 s PHE 2 Cb 0.00 -3.10 -0.02 0.00 -0.57 0.00 0.00 43.02 39.33 1de1 s PHE 2 CO 0.00 -0.62 -0.02 0.15 -0.10 0.00 0.00 175.22 174.62 1de1 s LYS 3 N -2.62 3.48 -0.10 0.44 3.01 -0.50 0.56 119.74 124.01 1de1 s LYS 3 Ca 0.59 -0.58 0.01 0.00 -1.01 0.00 0.00 55.97 54.98 1de1 s LYS 3 Cb -0.21 -3.04 -0.02 0.00 -1.01 0.00 0.00 37.83 33.56 1de1 s LYS 3 CO 0.26 -0.11 -0.14 0.08 0.51 0.00 0.00 175.35 175.95 1de1 s VAL 4 N 1.28 3.03 -0.42 3.17 1.01 -1.04 0.54 120.40 127.97 1de1 s VAL 4 Ca 0.04 -0.69 -0.04 0.00 0.00 0.00 0.00 61.98 61.28 1de1 s VAL 4 Cb -0.14 -2.24 0.11 0.00 0.00 0.00 0.00 36.38 34.11 1de1 s VAL 4 CO -0.01 0.55 0.22 -0.31 0.00 0.00 0.00 175.10 175.56 1de1 s TYR 5 N -0.05 3.53 0.00 5.22 2.02 0.37 -1.80 117.35 126.64 1de1 s TYR 5 Ca -0.03 -2.24 0.00 0.00 -0.37 0.00 0.00 57.07 54.43 1de1 s TYR 5 Cb -0.14 -3.21 0.00 0.00 -0.40 0.00 0.00 41.96 38.21 1de1 s TYR 5 CO 0.04 -0.96 0.00 0.41 -1.57 0.00 0.00 175.55 173.46 1de1 n GLY 6 N 4.67 3.38 3.53 0.71 0.00 -1.10 -0.30 105.19 116.09 1de1 n GLY 6 Ca -0.04 -0.17 -0.24 0.00 0.00 0.00 0.00 46.02 45.56 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 -0.07 2.45 -0.54 1.61 1.51 -1.26 0.41 117.35 121.46 1de1 s TYR 7 Ca 0.00 -0.29 0.16 0.00 -1.01 0.00 0.00 57.07 55.93 1de1 s TYR 7 Cb 0.00 -1.09 0.60 0.00 -0.11 0.00 0.00 41.96 41.36 1de1 s TYR 7 CO 0.00 0.66 1.51 -0.25 -1.11 0.00 0.00 175.55 176.36 1de1 n ASP 8 N -0.60 4.32 0.00 2.29 8.00 -1.26 -4.92 116.55 124.38 1de1 n ASP 8 Ca -0.06 -2.70 0.00 0.00 0.71 0.00 0.00 54.79 52.73 1de1 n ASP 8 Cb 0.59 -0.53 0.00 0.00 -0.02 0.00 0.00 41.12 41.16 1de1 n ASP 8 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 1de1 n SER 9 N 0.27 0.00 -0.03 -2.24 2.88 -0.99 -4.82 113.62 108.69 1de1 n SER 9 Ca 0.22 0.00 -0.20 0.00 -1.33 0.00 0.00 58.87 57.57 1de1 n SER 9 Cb 0.88 -0.79 -0.13 0.00 -0.75 0.00 0.00 64.21 63.42 1de1 n SER 9 CO 0.00 0.00 0.00 -1.13 -1.23 0.00 0.00 175.04 172.68 1de1 h ASN 10 N 0.00 0.21 -0.03 -3.46 -0.73 -1.99 -3.39 115.58 106.18 1de1 h ASN 10 Ca 0.00 -0.81 0.00 0.00 1.87 0.00 0.00 56.30 57.36 1de1 h ASN 10 Cb 0.00 -0.07 0.00 0.00 0.27 0.00 0.00 38.32 38.52 1de1 h ASN 10 CO 0.00 1.42 0.00 -0.38 -0.37 0.00 0.00 177.43 178.10 1de1 n ILE 11 N -4.23 0.06 -3.64 2.57 -0.00 -1.26 -5.00 119.36 107.86 1de1 n ILE 11 Ca -0.22 -0.53 -0.07 0.00 -0.00 0.00 0.00 62.75 61.93 1de1 n ILE 11 Cb 0.74 1.17 -0.07 0.00 -0.00 0.00 0.00 39.64 41.48 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 -0.87 -0.60 0.70 1.39 5.04 -1.26 -4.89 115.29 114.79 1de1 s HIS 12 Ca 0.13 1.32 -0.11 0.00 -1.54 0.00 0.00 55.06 54.86 1de1 s HIS 12 Cb 0.09 0.38 0.01 0.00 0.04 0.00 0.00 32.58 33.10 1de1 s HIS 12 CO 0.13 -0.30 1.08 0.21 -2.34 0.00 0.00 174.74 173.53 1de1 s LYS 13 N 0.81 2.87 0.00 2.88 2.36 -1.26 -2.34 119.74 125.06 1de1 s LYS 13 Ca -0.03 0.43 0.00 0.00 -2.55 0.00 0.00 55.97 53.82 1de1 s LYS 13 Cb -0.04 -2.04 0.00 0.00 -1.05 0.00 0.00 37.83 34.69 1de1 s LYS 13 CO -0.11 -1.01 0.00 0.00 1.55 0.00 0.00 175.35 175.79 1de1 n VAL 15 N 0.00 1.59 0.21 0.00 0.24 -1.26 -4.03 118.33 115.08 1de1 n VAL 15 Ca 0.00 -0.80 0.10 0.00 -2.04 0.00 0.00 64.34 61.60 1de1 n VAL 15 Cb 0.00 -1.00 0.26 0.00 -1.47 0.00 0.00 33.84 31.63 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 -0.16 6.34 -1.99 -1.96 -3.24 116.97 115.96 1de1 h TYR 16 Ca -0.32 0.00 -0.18 0.00 2.00 0.00 0.00 58.73 60.22 1de1 h TYR 16 Cb 2.04 0.00 0.01 0.00 2.00 0.00 0.00 36.73 40.78 1de1 h TYR 16 CO 0.00 0.16 -0.62 0.00 -0.00 0.00 0.00 178.16 177.70 1de1 h ASP 18 N 0.40 0.78 0.46 0.00 3.58 -1.69 -2.60 116.42 117.34 1de1 h ASP 18 Ca -0.03 -0.10 -0.02 0.00 0.42 0.00 0.00 57.03 57.29 1de1 h ASP 18 Cb 1.25 -0.20 0.00 0.00 1.72 0.00 0.00 39.33 42.11 1de1 h ASP 18 CO 0.13 0.70 -0.22 0.78 -2.88 0.00 0.00 179.24 177.76 1de1 h ASN 19 N 0.84 -0.52 -0.56 2.28 2.35 -1.58 -2.69 115.58 115.69 1de1 h ASN 19 Ca 0.20 -0.06 0.16 0.00 -0.55 0.00 0.00 56.30 56.05 1de1 h ASN 19 Cb 0.18 0.13 -0.02 0.00 0.05 0.00 0.00 38.32 38.66 1de1 h ASN 19 CO -0.02 -0.24 0.44 0.00 -1.65 0.00 0.00 177.43 175.96 1de1 h ALA 20 N -0.34 2.46 0.47 -0.83 0.00 -1.43 0.69 119.26 120.28 1de1 h ALA 20 Ca -0.06 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 1de1 h ALA 20 Cb 0.55 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.39 1de1 h ALA 20 CO 0.10 -0.73 -0.23 -0.22 0.00 0.00 0.00 179.25 178.18 1de1 h LYS 21 N 0.00 -0.61 0.00 0.00 3.64 -1.14 -2.62 116.57 115.84 1de1 h LYS 21 Ca 0.27 0.04 -0.07 0.00 -1.27 0.00 0.00 60.65 59.62 1de1 h LYS 21 Cb 1.14 0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 33.09 1de1 h LYS 21 CO -0.00 -0.36 -0.34 -0.09 -2.27 0.00 0.00 179.45 176.39 1de1 h ARG 22 N -0.73 0.00 -0.28 1.90 9.65 -1.07 -2.97 114.38 120.88 1de1 h ARG 22 Ca -0.06 0.00 0.06 0.00 -1.10 0.00 0.00 59.98 58.88 1de1 h ARG 22 Cb 0.53 0.00 -0.06 0.00 -1.39 0.00 0.00 29.97 29.05 1de1 h ARG 22 CO 0.11 0.34 -0.12 1.25 2.80 0.00 0.00 179.97 184.35 1de1 h LEU 23 N 0.00 -0.40 0.02 3.80 5.85 -0.62 0.69 115.31 124.65 1de1 h LEU 23 Ca -0.00 0.10 -0.00 0.00 0.84 0.00 0.00 57.88 58.82 1de1 h LEU 23 Cb 0.62 0.23 0.00 0.00 0.37 0.00 0.00 40.66 41.88 1de1 h LEU 23 CO 0.04 -0.15 -0.01 -0.07 -0.34 0.00 0.00 178.44 177.92 1de1 h LEU 24 N -0.07 -0.02 -0.90 2.25 3.38 -1.34 0.36 115.31 118.97 1de1 h LEU 24 Ca 0.14 -0.22 0.07 0.00 0.09 0.00 0.00 57.88 57.96 1de1 h LEU 24 Cb 0.29 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 40.97 1de1 h LEU 24 CO -0.33 0.21 0.56 0.74 0.09 0.00 0.00 178.44 179.72 1de1 h THR 25 N -0.25 1.03 -0.20 0.22 2.02 -1.31 -1.13 112.91 113.30 1de1 h THR 25 Ca -0.00 -0.34 -0.14 0.00 0.77 0.00 0.00 66.41 66.70 1de1 h THR 25 Cb 0.24 -0.06 -0.01 0.00 -1.74 0.00 0.00 68.15 66.58 1de1 h THR 25 CO 0.00 0.18 -0.45 0.58 0.37 0.00 0.00 175.52 176.21 1de1 h VAL 26 N 1.00 1.31 0.00 3.16 2.07 0.54 -2.65 116.25 121.69 1de1 h VAL 26 Ca 0.40 -1.64 0.00 0.00 0.82 0.00 0.00 66.70 66.28 1de1 h VAL 26 Cb 0.22 1.65 0.00 0.00 -1.52 0.00 0.00 31.29 31.64 1de1 h VAL 26 CO -0.19 0.51 0.00 0.29 0.02 0.00 0.00 177.57 178.20 1de1 n LYS 27 N -4.00 0.05 -2.76 1.57 4.76 0.10 -4.89 118.16 112.99 1de1 n LYS 27 Ca -0.02 0.19 -0.11 0.00 -2.87 0.00 0.00 58.31 55.50 1de1 n LYS 27 Cb 0.54 -1.57 0.02 0.00 -1.84 0.00 0.00 35.03 32.18 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 -1.65 -2.79 -4.84 1.97 5.02 -0.53 -5.04 118.16 110.30 1de1 n LYS 28 Ca 0.05 0.40 -0.25 0.00 -2.02 0.00 0.00 58.31 56.49 1de1 n LYS 28 Cb 0.25 -4.18 -0.16 0.00 -0.02 0.00 0.00 35.03 30.92 1de1 n LYS 28 CO 0.00 0.00 0.00 -1.14 -0.52 0.00 0.00 177.40 175.74 1de1 s GLN 29 N -5.26 1.55 0.68 1.97 2.00 -0.87 -5.05 119.66 114.67 1de1 s GLN 29 Ca 0.19 -0.62 -0.11 0.00 -2.00 0.00 0.00 55.36 52.82 1de1 s GLN 29 Cb -0.08 -1.44 -0.01 0.00 0.80 0.00 0.00 33.01 32.29 1de1 s GLN 29 CO 0.23 0.33 1.06 -1.25 -0.50 0.00 0.00 175.29 175.16 1de1 s PRO 30 N -0.24 3.12 0.26 1.67 0.04 -1.26 -4.29 135.00 134.30 1de1 s PRO 30 Ca 0.03 0.72 -0.21 0.00 0.04 0.00 0.00 61.00 61.57 1de1 s PRO 30 Cb -0.08 -2.03 0.03 0.00 0.04 0.00 0.00 34.50 32.46 1de1 s PRO 30 CO 0.00 -0.91 0.79 -0.59 0.04 0.00 0.00 177.00 176.33 1de1 s PHE 31 N -3.19 -0.13 -0.07 0.56 -0.71 -1.26 -2.33 117.98 110.84 1de1 s PHE 31 Ca 0.57 -0.32 -0.01 0.00 -1.04 0.00 0.00 56.93 56.13 1de1 s PHE 31 Cb -0.12 0.71 0.03 0.00 -1.21 0.00 0.00 43.02 42.43 1de1 s PHE 31 CO 0.54 -1.19 -0.02 -1.21 -1.34 0.00 0.00 175.22 172.00 1de1 s GLU 32 N -3.55 0.81 0.40 1.99 0.41 0.19 -4.78 118.70 114.17 1de1 s GLU 32 Ca 0.12 0.01 -0.05 0.00 -0.41 0.00 0.00 54.97 54.64 1de1 s GLU 32 Cb -0.05 -1.05 -0.04 0.00 -1.78 0.00 0.00 34.13 31.21 1de1 s GLU 32 CO 0.07 -0.26 0.69 0.12 -0.49 0.00 0.00 175.26 175.39 1de1 s PHE 33 N 1.73 3.52 -0.15 1.61 5.36 -1.26 -2.50 117.98 126.29 1de1 s PHE 33 Ca 0.02 0.73 -0.05 0.00 -0.96 0.00 0.00 56.93 56.67 1de1 s PHE 33 Cb -0.13 -2.21 0.07 0.00 -0.34 0.00 0.00 43.02 40.42 1de1 s PHE 33 CO -0.05 -0.08 0.31 0.42 -1.46 0.00 0.00 175.22 174.36 1de1 s ILE 34 N -2.46 -0.46 -0.34 3.12 1.01 -0.74 -4.90 121.20 116.42 1de1 s ILE 34 Ca 0.46 0.24 -0.29 0.00 0.00 0.00 0.00 60.65 61.06 1de1 s ILE 34 Cb -0.10 -0.51 -0.01 0.00 0.01 0.00 0.00 42.46 41.85 1de1 s ILE 34 CO 0.38 0.10 1.60 0.21 0.00 0.00 0.00 174.94 177.23 1de1 s ASN 35 N 2.41 6.17 0.26 3.58 3.04 -1.26 -2.73 114.94 126.40 1de1 s ASN 35 Ca -0.00 1.16 0.11 0.00 0.04 0.00 0.00 52.86 54.17 1de1 s ASN 35 Cb -0.12 -2.53 0.28 0.00 -1.54 0.00 0.00 41.25 37.34 1de1 s ASN 35 CO -0.10 -1.51 1.56 0.16 -3.04 0.00 0.00 177.10 174.17 1de1 h ILE 36 N 6.55 1.41 -3.32 -5.21 -0.00 -0.39 -3.38 117.51 113.17 1de1 h ILE 36 Ca -0.31 -2.29 -0.65 0.00 -0.00 0.00 0.00 64.86 61.61 1de1 h ILE 36 Cb 1.14 2.26 -0.40 0.00 -0.00 0.00 0.00 36.82 39.81 1de1 h ILE 36 CO 1.05 0.64 -0.54 -0.32 -0.00 0.00 0.00 178.15 178.98 1de1 s MET 37 N -3.42 2.29 0.00 0.16 1.75 -1.26 0.16 119.30 118.98 1de1 s MET 37 Ca -0.01 -2.86 0.15 0.00 -1.25 0.00 0.00 55.69 51.72 1de1 s MET 37 Cb 0.12 -3.45 0.90 0.00 2.84 0.00 0.00 34.83 35.24 1de1 s MET 37 CO 0.76 -1.18 1.57 -0.35 -0.65 0.00 0.00 175.02 175.17 1de1 n PRO 38 N 2.79 0.98 -3.90 4.11 -0.04 -1.26 -4.77 135.00 132.91 1de1 n PRO 38 Ca 0.11 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.45 1de1 n PRO 38 Cb 0.34 -1.24 -0.14 0.00 -0.04 0.00 0.00 33.50 32.42 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 -2.00 0.06 0.00 0.54 2.12 -1.25 -5.01 118.70 113.16 1de1 s GLU 39 Ca 0.23 -0.09 0.05 0.00 0.36 0.00 0.00 54.97 55.53 1de1 s GLU 39 Cb 0.10 -0.01 0.26 0.00 0.26 0.00 0.00 34.13 34.75 1de1 s GLU 39 CO 0.18 -0.00 1.08 1.63 -0.54 0.00 0.00 175.26 177.60 1de1 n LYS 40 N 2.89 0.05 -0.01 4.30 5.02 -1.26 -3.66 118.16 125.49 1de1 n LYS 40 Ca -0.14 0.30 -0.02 0.00 -2.02 0.00 0.00 58.31 56.44 1de1 n LYS 40 Cb 0.59 -1.50 -0.01 0.00 -0.02 0.00 0.00 35.03 34.10 1de1 n LYS 40 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1de1 n GLY 41 N -0.87 -0.29 3.16 0.72 0.00 -1.26 -5.06 105.19 101.59 1de1 n GLY 41 Ca 0.02 -0.06 -0.26 0.00 0.00 0.00 0.00 46.02 45.72 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 -1.44 1.47 0.99 1.61 1.01 -1.24 -5.14 120.40 117.66 1de1 s VAL 42 Ca -0.05 -0.76 -0.13 0.00 0.00 0.00 0.00 61.98 61.04 1de1 s VAL 42 Cb 0.01 -1.25 0.18 0.00 0.00 0.00 0.00 36.38 35.32 1de1 s VAL 42 CO 0.08 0.42 1.11 0.72 0.00 0.00 0.00 175.10 177.43 1de1 s PHE 43 N -0.14 2.16 -0.10 5.22 -0.12 -1.26 -3.86 117.98 119.88 1de1 s PHE 43 Ca 0.00 0.90 -0.30 0.00 -0.05 0.00 0.00 56.93 57.49 1de1 s PHE 43 Cb -0.10 -3.33 -0.02 0.00 -0.63 0.00 0.00 43.02 38.94 1de1 s PHE 43 CO 0.01 -2.80 1.11 0.16 -0.05 0.00 0.00 175.22 173.65 1de1 s ASP 44 N -3.68 7.13 0.23 1.98 1.47 0.12 -4.86 116.67 119.07 1de1 s ASP 44 Ca 0.65 1.65 0.13 0.00 1.18 0.00 0.00 52.55 56.16 1de1 s ASP 44 Cb -0.17 -2.55 -0.01 0.00 -0.34 0.00 0.00 42.92 39.84 1de1 s ASP 44 CO 0.56 -0.54 1.38 0.44 0.68 0.00 0.00 175.17 177.70 1de1 h ASP 45 N 7.34 0.00 0.14 2.11 3.32 -1.93 -2.94 116.42 124.45 1de1 h ASP 45 Ca -0.31 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 56.73 1de1 h ASP 45 Cb 1.14 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.70 1de1 h ASP 45 CO 0.88 0.64 -0.07 1.05 -1.72 0.00 0.00 179.24 180.02 1de1 h GLU 46 N 0.00 -0.18 -0.14 3.56 4.11 -1.97 0.95 114.58 120.91 1de1 h GLU 46 Ca -0.01 0.01 -0.20 0.00 0.07 0.00 0.00 59.36 59.23 1de1 h GLU 46 Cb 1.50 0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.79 1de1 h GLU 46 CO 0.08 -0.07 -0.71 0.87 0.07 0.00 0.00 179.01 179.26 1de1 h LYS 47 N -0.25 0.62 0.00 1.06 6.56 -1.95 -3.00 116.57 119.62 1de1 h LYS 47 Ca -0.02 -0.48 -0.07 0.00 -1.06 0.00 0.00 60.65 59.02 1de1 h LYS 47 Cb 0.19 0.09 -0.01 0.00 -0.57 0.00 0.00 32.23 31.93 1de1 h LYS 47 CO 0.03 1.10 -0.35 0.82 -2.06 0.00 0.00 179.45 178.99 1de1 h ILE 48 N 0.44 0.83 0.18 1.86 5.03 -1.42 -2.78 117.51 121.65 1de1 h ILE 48 Ca -0.03 -1.46 -0.01 0.00 -0.12 0.00 0.00 64.86 63.24 1de1 h ILE 48 Cb 1.30 1.90 0.00 0.00 -3.03 0.00 0.00 36.82 37.00 1de1 h ILE 48 CO 0.14 0.34 -0.09 0.00 -0.68 0.00 0.00 178.15 177.86 1de1 h ALA 49 N 1.65 -0.24 -0.48 1.87 0.00 0.11 -2.57 119.26 119.59 1de1 h ALA 49 Ca -0.00 -0.18 0.01 0.00 0.00 0.00 0.00 54.91 54.74 1de1 h ALA 49 Cb 0.88 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.73 1de1 h ALA 49 CO 0.05 -0.46 0.32 1.49 0.00 0.00 0.00 179.25 180.64 1de1 h GLU 50 N -0.58 0.62 0.06 0.00 4.81 -1.53 -2.48 114.58 115.48 1de1 h GLU 50 Ca -0.02 -0.04 0.01 0.00 -0.13 0.00 0.00 59.36 59.18 1de1 h GLU 50 Cb 0.44 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.65 1de1 h GLU 50 CO 0.04 0.41 -0.13 1.25 -0.73 0.00 0.00 179.01 179.86 1de1 h LEU 51 N 0.64 -0.35 -0.68 1.64 6.46 -1.36 -0.08 115.31 121.57 1de1 h LEU 51 Ca 0.18 0.05 0.12 0.00 -0.12 0.00 0.00 57.88 58.10 1de1 h LEU 51 Cb -0.06 0.14 -0.08 0.00 -0.73 0.00 0.00 40.66 39.93 1de1 h LEU 51 CO -0.04 -0.19 0.27 -0.07 -0.62 0.00 0.00 178.44 177.79 1de1 h LEU 52 N -0.25 0.26 -0.41 2.25 3.38 -1.03 -0.14 115.31 119.37 1de1 h LEU 52 Ca 0.03 0.09 -0.03 0.00 0.09 0.00 0.00 57.88 58.06 1de1 h LEU 52 Cb 0.27 0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.07 1de1 h LEU 52 CO -0.08 0.13 0.16 0.74 0.09 0.00 0.00 178.44 179.47 1de1 h THR 53 N 0.44 1.20 -0.34 0.22 2.02 -1.27 -2.41 112.91 112.77 1de1 h THR 53 Ca 0.36 -0.63 0.01 0.00 0.77 0.00 0.00 66.41 66.92 1de1 h THR 53 Cb 0.49 0.85 -0.02 0.00 -1.74 0.00 0.00 68.15 67.73 1de1 h THR 53 CO -0.35 0.23 0.22 0.11 0.37 0.00 0.00 175.52 176.10 1de1 h LYS 54 N 0.52 0.40 0.30 6.66 1.79 0.13 -3.10 116.57 123.27 1de1 h LYS 54 Ca 0.14 -0.02 -0.01 0.00 -2.18 0.00 0.00 60.65 58.57 1de1 h LYS 54 Cb 0.21 -0.09 0.00 0.00 -1.58 0.00 0.00 32.23 30.77 1de1 h LYS 54 CO -0.01 0.27 -0.14 -0.07 -1.08 0.00 0.00 179.45 178.41 1de1 h LEU 55 N 0.41 -0.34 0.00 2.94 3.38 -0.57 -3.44 115.31 117.69 1de1 h LEU 55 Ca 0.13 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.11 1de1 h LEU 55 Cb 0.01 0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.85 1de1 h LEU 55 CO -0.03 -0.23 0.00 0.61 0.09 0.00 0.00 178.44 178.89 1de1 n GLY 56 N -0.86 0.38 0.00 0.83 0.00 -1.08 -5.01 105.19 99.44 1de1 n GLY 56 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.97 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 1.30 -0.05 1.61 5.12 -1.24 -5.01 116.66 118.39 1de1 n ARG 57 Ca 0.00 0.00 -0.01 0.00 -1.93 0.00 0.00 57.85 55.91 1de1 n ARG 57 Cb 0.00 0.00 -0.13 0.00 -1.16 0.00 0.00 32.46 31.17 1de1 n ARG 57 CO 0.00 0.00 0.00 -3.47 -1.93 0.00 0.00 177.63 172.23 1de1 n ASP 58 N -1.08 0.91 -4.92 0.55 2.03 -1.26 -4.01 116.55 108.77 1de1 n ASP 58 Ca 0.00 0.00 -0.26 0.00 0.52 0.00 0.00 54.79 55.05 1de1 n ASP 58 Cb 0.00 1.29 0.03 0.00 -0.72 0.00 0.00 41.12 41.72 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 -2.75 3.72 -0.46 5.18 -1.32 -1.26 -4.98 115.64 113.77 1de1 s THR 59 Ca -0.07 -0.07 -0.06 0.00 -1.21 0.00 0.00 61.69 60.27 1de1 s THR 59 Cb 0.08 -3.46 0.12 0.00 -1.51 0.00 0.00 72.50 67.73 1de1 s THR 59 CO 0.71 -0.45 0.31 -1.10 -2.21 0.00 0.00 174.62 171.87 1de1 s GLN 60 N -4.92 2.32 -1.17 7.08 -0.21 -1.26 -5.01 119.66 116.48 1de1 s GLN 60 Ca 0.53 -1.84 -0.20 0.00 0.02 0.00 0.00 55.36 53.86 1de1 s GLN 60 Cb -0.10 -3.79 0.06 0.00 1.00 0.00 0.00 33.01 30.17 1de1 s GLN 60 CO 0.44 -1.15 1.60 0.96 -2.12 0.00 0.00 175.29 175.02 1de1 s ILE 61 N 1.17 4.05 -1.17 1.08 -4.36 -1.26 -3.95 121.20 116.76 1de1 s ILE 61 Ca 0.08 -1.43 0.00 0.00 -0.26 0.00 0.00 60.65 59.03 1de1 s ILE 61 Cb -0.24 -5.13 0.00 0.00 1.25 0.00 0.00 42.46 38.34 1de1 s ILE 61 CO -0.02 -1.98 0.00 0.61 0.24 0.00 0.00 174.94 173.79 1de1 n GLY 62 N 6.02 0.45 3.72 6.27 0.00 -1.26 -4.95 105.19 115.44 1de1 n GLY 62 Ca 0.42 -0.39 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 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 -3.30 4.37 0.05 0.99 1.98 -1.25 -5.01 118.68 116.51 1de1 s LEU 63 Ca 0.00 2.74 0.02 0.00 -2.89 0.00 0.00 54.13 53.99 1de1 s LEU 63 Cb 0.00 -3.60 -0.03 0.00 0.66 0.00 0.00 46.19 43.22 1de1 s LEU 63 CO 0.00 -0.88 -0.07 0.42 -1.89 0.00 0.00 176.35 173.93 1de1 s THR 64 N 1.02 0.50 0.13 3.68 -4.23 -1.26 -5.10 115.64 110.38 1de1 s THR 64 Ca 0.71 -1.29 0.04 0.00 -1.18 0.00 0.00 61.69 59.96 1de1 s THR 64 Cb -0.46 -0.86 -0.04 0.00 1.34 0.00 0.00 72.50 72.48 1de1 s THR 64 CO 0.33 -0.54 0.14 -0.04 -0.54 0.00 0.00 174.62 173.97 1de1 s MET 65 N -2.20 3.01 0.21 3.99 -1.94 -1.26 -3.88 119.30 117.23 1de1 s MET 65 Ca -0.05 -0.74 -0.27 0.00 -1.71 0.00 0.00 55.69 52.92 1de1 s MET 65 Cb -0.06 -2.75 -0.08 0.00 2.01 0.00 0.00 34.83 33.95 1de1 s MET 65 CO -0.02 0.53 0.84 -2.14 -0.01 0.00 0.00 175.02 174.23 1de1 s PRO 66 N -2.84 4.66 -0.15 2.03 0.02 -1.26 -4.96 135.00 132.50 1de1 s PRO 66 Ca 0.31 1.28 -0.08 0.00 0.02 0.00 0.00 61.00 62.53 1de1 s PRO 66 Cb -0.11 -3.22 -0.04 0.00 0.02 0.00 0.00 34.50 31.15 1de1 s PRO 66 CO 0.24 0.53 0.14 -0.65 -0.33 0.00 0.00 177.00 176.92 1de1 s GLN 67 N -1.26 3.75 0.23 5.54 -1.52 0.59 -4.44 119.66 122.55 1de1 s GLN 67 Ca 0.39 -0.16 0.07 0.00 -1.95 0.00 0.00 55.36 53.70 1de1 s GLN 67 Cb -0.24 -3.29 -0.04 0.00 -0.22 0.00 0.00 33.01 29.23 1de1 s GLN 67 CO 0.28 0.58 0.15 0.08 -0.25 0.00 0.00 175.29 176.13 1de1 s VAL 68 N -0.45 4.31 -0.04 1.09 1.01 0.19 0.14 120.40 126.64 1de1 s VAL 68 Ca 0.12 -1.40 -0.04 0.00 0.00 0.00 0.00 61.98 60.67 1de1 s VAL 68 Cb -0.12 -3.29 0.01 0.00 0.00 0.00 0.00 36.38 32.98 1de1 s VAL 68 CO 0.02 -0.29 0.11 -0.36 0.00 0.00 0.00 175.10 174.58 1de1 s PHE 69 N -2.06 -0.12 0.19 5.22 0.40 0.19 -2.56 117.98 119.24 1de1 s PHE 69 Ca 0.32 0.32 -0.33 0.00 -0.60 0.00 0.00 56.93 56.64 1de1 s PHE 69 Cb -0.08 0.02 -0.14 0.00 0.51 0.00 0.00 43.02 43.33 1de1 s PHE 69 CO 0.24 -0.07 1.40 0.00 0.70 0.00 0.00 175.22 177.49 1de1 n ALA 70 N 3.20 0.65 0.29 5.36 0.00 0.10 -1.40 120.51 128.70 1de1 n ALA 70 Ca -0.14 0.44 0.17 0.00 0.00 0.00 0.00 53.44 53.91 1de1 n ALA 70 Cb 0.58 -2.23 0.86 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 4.53 0.00 0.00 0.00 0.11 -1.88 -3.07 132.00 131.69 1de1 h PRO 71 Ca -0.45 0.00 -0.17 0.00 0.11 0.00 0.00 66.00 65.49 1de1 h PRO 71 Cb 1.29 0.00 -0.15 0.00 0.11 0.00 0.00 31.00 32.25 1de1 h PRO 71 CO 0.78 0.00 -0.27 -3.47 -0.21 0.00 0.00 178.00 174.83 1de1 n ASP 72 N -3.13 -1.46 0.00 -2.05 2.03 -1.26 -4.74 116.55 105.95 1de1 n ASP 72 Ca -0.00 -2.21 0.00 0.00 0.52 0.00 0.00 54.79 53.10 1de1 n ASP 72 Cb 0.38 0.68 0.00 0.00 -0.72 0.00 0.00 41.12 41.46 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 -1.53 2.64 2.67 0.27 0.00 -1.16 -5.19 105.19 102.89 1de1 n GLY 73 Ca -0.18 -0.26 -0.16 0.00 0.00 0.00 0.00 46.02 45.43 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 -0.63 -4.68 1.61 3.41 -1.26 -4.82 113.62 107.25 1de1 n SER 74 Ca 0.00 -2.80 -0.46 0.00 -0.26 0.00 0.00 58.87 55.35 1de1 n SER 74 Cb 0.00 1.45 -0.04 0.00 -0.26 0.00 0.00 64.21 65.36 1de1 n SER 74 CO 0.00 0.00 0.00 1.57 -0.16 0.00 0.00 175.04 176.45 1de1 n HIS 75 N -0.52 2.40 -0.08 7.33 -0.00 -1.26 0.00 115.22 123.08 1de1 n HIS 75 Ca 0.06 -0.04 -0.22 0.00 0.46 0.00 0.00 57.72 57.98 1de1 n HIS 75 Cb 0.50 -2.68 -0.12 0.00 -0.12 0.00 0.00 29.99 27.57 1de1 n HIS 75 CO 0.00 0.00 0.00 -0.89 0.46 0.00 0.00 176.34 175.91 1de1 n ILE 76 N 4.84 1.60 0.00 3.57 5.41 -1.06 -4.83 119.36 128.89 1de1 n ILE 76 Ca 0.20 -0.23 0.00 0.00 1.00 0.00 0.00 62.75 63.73 1de1 n ILE 76 Cb 0.32 -1.94 0.00 0.00 -0.71 0.00 0.00 39.64 37.31 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 1.57 0.78 0.00 7.39 0.00 -1.18 -4.49 105.19 109.26 1de1 n GLY 77 Ca -0.34 -1.84 0.00 0.00 0.00 0.00 0.00 46.02 43.84 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 1.48 0.00 -0.02 0.00 -1.26 0.55 105.19 105.94 1de1 n GLY 78 Ca 0.00 -1.59 0.00 0.00 0.00 0.00 0.00 46.02 44.43 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 0.01 1.61 7.35 -1.26 -1.94 117.46 123.23 1de1 n PHE 79 Ca 0.00 0.00 -0.11 0.00 -0.76 0.00 0.00 57.45 56.58 1de1 n PHE 79 Cb 0.00 -0.46 -0.06 0.00 0.35 0.00 0.00 39.48 39.31 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 0.05 -0.98 -2.13 1.82 -1.97 0.24 116.42 113.46 1de1 h ASP 80 Ca 0.00 0.00 0.23 0.00 -0.39 0.00 0.00 57.03 56.87 1de1 h ASP 80 Cb 0.00 -0.01 -0.08 0.00 0.68 0.00 0.00 39.33 39.92 1de1 h ASP 80 CO 0.00 0.04 0.63 -0.61 -1.61 0.00 0.00 179.24 177.69 1de1 h GLN 81 N 0.07 0.44 0.05 0.28 4.15 -1.92 0.17 115.11 118.35 1de1 h GLN 81 Ca 0.03 -0.03 -0.25 0.00 0.77 0.00 0.00 58.65 59.17 1de1 h GLN 81 Cb 0.00 -0.10 -0.02 0.00 0.21 0.00 0.00 27.48 27.57 1de1 h GLN 81 CO -0.02 0.29 -1.25 1.25 -1.93 0.00 0.00 178.83 177.18 1de1 h LEU 82 N 0.45 0.16 -1.94 -2.39 6.46 -0.67 -3.24 115.31 114.14 1de1 h LEU 82 Ca 0.53 -0.19 0.26 0.00 -0.12 0.00 0.00 57.88 58.36 1de1 h LEU 82 Cb 1.27 -0.05 -0.04 0.00 -0.73 0.00 0.00 40.66 41.11 1de1 h LEU 82 CO -0.25 1.15 0.65 -0.09 -0.62 0.00 0.00 178.44 179.28 1de1 h ARG 83 N 0.03 0.04 -0.30 1.25 2.43 0.25 1.58 114.38 119.66 1de1 h ARG 83 Ca -0.12 -0.00 -0.10 0.00 -0.81 0.00 0.00 59.98 58.95 1de1 h ARG 83 Cb 1.89 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 31.42 1de1 h ARG 83 CO 0.14 0.03 -0.25 0.93 -1.51 0.00 0.00 179.97 179.31 1de1 h GLU 84 N 0.04 0.59 -0.28 0.20 3.07 -1.52 0.88 114.58 117.57 1de1 h GLU 84 Ca 0.44 -0.23 -0.04 0.00 -0.50 0.00 0.00 59.36 59.02 1de1 h GLU 84 Cb 1.68 -0.03 -0.02 0.00 -0.84 0.00 0.00 28.75 29.55 1de1 h GLU 84 CO -0.03 0.79 -0.01 -0.92 -1.40 0.00 0.00 179.01 177.44 1de1 h TYR 85 N 0.52 0.43 0.00 4.33 5.03 0.21 -3.32 116.97 124.17 1de1 h TYR 85 Ca 0.07 -0.04 0.00 0.00 2.58 0.00 0.00 58.73 61.35 1de1 h TYR 85 Cb 0.71 -0.13 0.00 0.00 1.55 0.00 0.00 36.73 38.86 1de1 h TYR 85 CO 0.03 0.45 0.00 1.19 -1.32 0.00 0.00 178.16 178.50 1de1 n PHE 86 N -4.31 0.00 1.82 -3.82 3.72 -0.69 -5.14 117.46 109.05 1de1 n PHE 86 Ca 0.01 0.00 0.15 0.00 -0.05 0.00 0.00 57.45 57.56 1de1 n PHE 86 Cb 0.23 -0.34 0.80 0.00 -0.94 0.00 0.00 39.48 39.23 1de1 n PHE 86 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34