#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 3.49 -0.24 1.12 0.40 -1.04 -3.02 117.98 118.69 1de1 s PHE 2 Ca 0.00 1.71 -0.07 0.00 -0.60 0.00 0.00 56.93 57.97 1de1 s PHE 2 Cb 0.00 -3.07 -0.03 0.00 0.51 0.00 0.00 43.02 40.43 1de1 s PHE 2 CO 0.00 -0.27 0.06 0.15 0.70 0.00 0.00 175.22 175.86 1de1 s LYS 3 N -2.14 3.66 -0.09 0.44 3.01 0.62 0.57 119.74 125.81 1de1 s LYS 3 Ca 0.52 -0.48 -0.02 0.00 -1.01 0.00 0.00 55.97 54.99 1de1 s LYS 3 Cb -0.22 -3.28 -0.03 0.00 -1.01 0.00 0.00 37.83 33.29 1de1 s LYS 3 CO 0.28 -0.14 -0.02 0.08 0.51 0.00 0.00 175.35 176.07 1de1 s VAL 4 N 1.46 4.15 -0.41 3.17 1.01 -0.72 0.15 120.40 129.19 1de1 s VAL 4 Ca 0.06 -0.30 -0.03 0.00 0.00 0.00 0.00 61.98 61.71 1de1 s VAL 4 Cb -0.15 -2.75 0.11 0.00 0.00 0.00 0.00 36.38 33.60 1de1 s VAL 4 CO 0.03 0.58 0.21 -0.31 0.00 0.00 0.00 175.10 175.61 1de1 s TYR 5 N -0.65 3.59 0.00 5.22 1.51 0.54 0.11 117.35 127.66 1de1 s TYR 5 Ca 0.10 -2.46 0.00 0.00 -1.01 0.00 0.00 57.07 53.70 1de1 s TYR 5 Cb -0.12 -3.21 0.00 0.00 -0.11 0.00 0.00 41.96 38.52 1de1 s TYR 5 CO 0.02 -0.97 0.00 0.41 -1.11 0.00 0.00 175.55 173.90 1de1 n GLY 6 N 4.53 3.76 3.27 0.71 0.00 0.26 0.40 105.19 118.12 1de1 n GLY 6 Ca -0.02 -0.16 -0.24 0.00 0.00 0.00 0.00 46.02 45.60 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 0.10 1.77 0.00 1.61 2.02 -1.26 -2.36 117.35 119.23 1de1 s TYR 7 Ca 0.00 -0.40 0.00 0.00 -0.37 0.00 0.00 57.07 56.30 1de1 s TYR 7 Cb 0.00 -1.00 0.00 0.00 -0.40 0.00 0.00 41.96 40.56 1de1 s TYR 7 CO 0.00 0.16 0.57 -0.25 -1.57 0.00 0.00 175.55 174.46 1de1 n ASP 8 N 1.34 0.00 0.00 2.29 8.00 -1.26 -4.75 116.55 122.17 1de1 n ASP 8 Ca -0.19 0.62 0.00 0.00 0.71 0.00 0.00 54.79 55.93 1de1 n ASP 8 Cb 0.53 -0.24 0.00 0.00 -0.02 0.00 0.00 41.12 41.40 1de1 n ASP 8 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1de1 n SER 9 N -1.21 0.00 0.13 -2.24 7.64 -1.14 -4.75 113.62 112.04 1de1 n SER 9 Ca 0.00 0.00 0.04 0.00 1.01 0.00 0.00 58.87 59.92 1de1 n SER 9 Cb 0.00 0.00 0.02 0.00 -1.01 0.00 0.00 64.21 63.22 1de1 n SER 9 CO 0.00 0.00 0.00 0.78 -3.01 0.00 0.00 175.04 172.81 1de1 h ASN 10 N 0.00 0.00 0.03 6.43 4.21 -1.97 -3.36 115.58 120.92 1de1 h ASN 10 Ca 0.00 0.00 -0.34 0.00 1.21 0.00 0.00 56.30 57.17 1de1 h ASN 10 Cb 0.00 0.00 -0.04 0.00 -1.12 0.00 0.00 38.32 37.16 1de1 h ASN 10 CO 0.00 0.39 -1.89 -0.38 -1.29 0.00 0.00 177.43 174.26 1de1 n ILE 11 N -3.09 1.60 -3.82 2.81 -0.00 -1.26 -5.01 119.36 110.59 1de1 n ILE 11 Ca -0.00 -0.34 -0.11 0.00 -0.00 0.00 0.00 62.75 62.30 1de1 n ILE 11 Cb 0.71 -1.85 -0.08 0.00 -0.00 0.00 0.00 39.64 38.42 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 -2.47 -0.01 1.03 1.39 2.46 -1.26 -4.86 115.29 111.58 1de1 s HIS 12 Ca -0.30 -0.14 -0.12 0.00 0.47 0.00 0.00 55.06 54.97 1de1 s HIS 12 Cb 0.08 0.01 0.21 0.00 -0.13 0.00 0.00 32.58 32.75 1de1 s HIS 12 CO 0.62 -0.42 1.08 -1.59 -2.47 0.00 0.00 174.74 171.96 1de1 s LYS 13 N -2.27 0.13 -0.33 2.88 -2.85 -1.26 -2.90 119.74 113.14 1de1 s LYS 13 Ca -0.07 1.09 -0.08 0.00 -1.00 0.00 0.00 55.97 55.91 1de1 s LYS 13 Cb -0.02 -1.66 0.21 0.00 -2.06 0.00 0.00 37.83 34.30 1de1 s LYS 13 CO -0.02 -3.09 1.10 0.00 0.10 0.00 0.00 175.35 173.44 1de1 n VAL 15 N 2.82 0.55 0.12 0.00 0.24 -1.26 -3.86 118.33 116.94 1de1 n VAL 15 Ca 0.10 -0.51 -0.01 0.00 -2.04 0.00 0.00 64.34 61.89 1de1 n VAL 15 Cb 0.65 -0.28 0.09 0.00 -1.47 0.00 0.00 33.84 32.83 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 0.04 6.34 0.05 -1.95 -3.26 116.97 118.19 1de1 h TYR 16 Ca 0.00 0.00 -0.12 0.00 0.05 0.00 0.00 58.73 58.66 1de1 h TYR 16 Cb 0.96 0.00 0.01 0.00 1.01 0.00 0.00 36.73 38.71 1de1 h TYR 16 CO 0.00 0.67 -0.48 0.00 -1.05 0.00 0.00 178.16 177.29 1de1 h ASP 18 N -0.41 0.38 0.43 0.00 1.82 -1.67 0.33 116.42 117.31 1de1 h ASP 18 Ca -0.07 0.07 -0.02 0.00 -0.39 0.00 0.00 57.03 56.61 1de1 h ASP 18 Cb 1.28 0.01 0.00 0.00 0.68 0.00 0.00 39.33 41.30 1de1 h ASP 18 CO 0.09 0.08 -0.21 0.78 -1.61 0.00 0.00 179.24 178.38 1de1 h ASN 19 N 0.34 -0.49 -0.79 2.28 2.35 -1.60 -3.00 115.58 114.67 1de1 h ASN 19 Ca 0.57 0.02 0.18 0.00 -0.55 0.00 0.00 56.30 56.52 1de1 h ASN 19 Cb 1.56 0.13 -0.05 0.00 0.05 0.00 0.00 38.32 40.01 1de1 h ASN 19 CO -0.25 -0.10 0.54 0.00 -1.65 0.00 0.00 177.43 175.97 1de1 h ALA 20 N -1.24 2.30 0.44 -0.83 0.00 -1.21 -1.60 119.26 117.13 1de1 h ALA 20 Ca -0.06 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 1de1 h ALA 20 Cb 0.45 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.22 1de1 h ALA 20 CO 0.10 -0.53 -0.25 -0.22 0.00 0.00 0.00 179.25 178.35 1de1 h LYS 21 N 0.30 -0.63 -0.54 0.00 3.11 -0.41 -0.50 116.57 117.91 1de1 h LYS 21 Ca 0.39 0.04 0.01 0.00 -2.81 0.00 0.00 60.65 58.29 1de1 h LYS 21 Cb 1.09 0.14 -0.03 0.00 -1.00 0.00 0.00 32.23 32.44 1de1 h LYS 21 CO -0.11 -0.42 0.36 -0.09 -2.81 0.00 0.00 179.45 176.38 1de1 h ARG 22 N -0.65 0.68 0.45 1.90 2.43 -1.17 -2.01 114.38 116.00 1de1 h ARG 22 Ca -0.05 -0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.05 1de1 h ARG 22 Cb 0.52 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 29.92 1de1 h ARG 22 CO 0.07 0.45 -0.22 1.25 -1.51 0.00 0.00 179.97 180.01 1de1 h LEU 23 N 0.70 -0.51 -0.38 3.80 6.46 -0.85 -1.26 115.31 123.26 1de1 h LEU 23 Ca 0.20 -0.00 0.06 0.00 -0.12 0.00 0.00 57.88 58.01 1de1 h LEU 23 Cb -0.04 0.13 -0.05 0.00 -0.73 0.00 0.00 40.66 39.97 1de1 h LEU 23 CO -0.05 -0.34 0.08 -0.07 -0.62 0.00 0.00 178.44 177.45 1de1 h LEU 24 N -0.65 0.02 -1.23 2.25 3.38 -0.76 0.79 115.31 119.11 1de1 h LEU 24 Ca -0.06 0.06 0.10 0.00 0.09 0.00 0.00 57.88 58.07 1de1 h LEU 24 Cb 0.49 0.08 -0.06 0.00 0.09 0.00 0.00 40.66 41.25 1de1 h LEU 24 CO 0.10 0.05 0.56 0.74 0.09 0.00 0.00 178.44 179.98 1de1 h THR 25 N 0.21 0.96 0.05 0.22 2.02 -1.26 0.65 112.91 115.75 1de1 h THR 25 Ca 0.18 -0.29 -0.25 0.00 0.77 0.00 0.00 66.41 66.82 1de1 h THR 25 Cb 0.21 0.04 0.01 0.00 -1.74 0.00 0.00 68.15 66.66 1de1 h THR 25 CO -0.23 0.16 -1.05 0.58 0.37 0.00 0.00 175.52 175.34 1de1 h VAL 26 N 0.85 1.41 0.00 3.16 2.07 0.08 -3.10 116.25 120.72 1de1 h VAL 26 Ca 0.40 -2.59 0.00 0.00 0.82 0.00 0.00 66.70 65.33 1de1 h VAL 26 Cb 0.42 2.57 0.00 0.00 -1.52 0.00 0.00 31.29 32.76 1de1 h VAL 26 CO -0.17 0.77 0.00 0.29 0.02 0.00 0.00 177.57 178.48 1de1 n LYS 27 N -3.70 0.00 -2.49 1.57 4.76 0.26 -4.90 118.16 113.66 1de1 n LYS 27 Ca -0.08 0.19 -0.06 0.00 -2.87 0.00 0.00 58.31 55.49 1de1 n LYS 27 Cb 0.90 -1.50 0.03 0.00 -1.84 0.00 0.00 35.03 32.62 1de1 n LYS 27 CO 0.00 0.00 0.00 1.17 -1.37 0.00 0.00 177.40 177.20 1de1 n LYS 28 N -1.50 -2.31 -3.79 1.97 3.00 0.09 -5.04 118.16 110.58 1de1 n LYS 28 Ca 0.04 0.31 -0.16 0.00 -0.00 0.00 0.00 58.31 58.51 1de1 n LYS 28 Cb 0.21 -3.69 -0.16 0.00 0.00 0.00 0.00 35.03 31.39 1de1 n LYS 28 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.40 176.75 1de1 s GLN 29 N -4.42 0.03 0.66 1.64 -1.52 -0.65 -5.04 119.66 110.35 1de1 s GLN 29 Ca 0.01 0.19 -0.11 0.00 -1.95 0.00 0.00 55.36 53.50 1de1 s GLN 29 Cb -0.00 -0.34 -0.01 0.00 -0.22 0.00 0.00 33.01 32.44 1de1 s GLN 29 CO 0.27 -0.19 1.06 -1.25 -0.25 0.00 0.00 175.29 174.93 1de1 s PRO 30 N 1.22 3.25 0.27 2.91 0.04 -1.26 -4.26 135.00 137.17 1de1 s PRO 30 Ca -0.07 0.65 -0.21 0.00 0.04 0.00 0.00 61.00 61.41 1de1 s PRO 30 Cb -0.13 -2.05 0.03 0.00 0.04 0.00 0.00 34.50 32.39 1de1 s PRO 30 CO -0.03 -0.80 0.77 -0.59 0.04 0.00 0.00 177.00 176.40 1de1 s PHE 31 N -3.24 -0.14 -0.02 0.56 -0.71 -1.26 -2.50 117.98 110.67 1de1 s PHE 31 Ca 0.56 -0.32 0.02 0.00 -1.04 0.00 0.00 56.93 56.15 1de1 s PHE 31 Cb -0.11 0.71 0.00 0.00 -1.21 0.00 0.00 43.02 42.42 1de1 s PHE 31 CO 0.53 -1.21 -0.05 -1.21 -1.34 0.00 0.00 175.22 171.95 1de1 s GLU 32 N -3.60 0.55 0.39 1.99 2.02 0.19 -4.79 118.70 115.45 1de1 s GLU 32 Ca 0.12 -0.17 -0.06 0.00 0.02 0.00 0.00 54.97 54.89 1de1 s GLU 32 Cb -0.05 -0.55 -0.05 0.00 0.10 0.00 0.00 34.13 33.58 1de1 s GLU 32 CO 0.07 0.06 0.69 0.12 0.02 0.00 0.00 175.26 176.21 1de1 s PHE 33 N 0.20 3.50 -0.10 1.61 5.36 -1.26 -1.76 117.98 125.54 1de1 s PHE 33 Ca -0.02 0.77 -0.04 0.00 -0.96 0.00 0.00 56.93 56.69 1de1 s PHE 33 Cb -0.06 -2.23 0.05 0.00 -0.34 0.00 0.00 43.02 40.44 1de1 s PHE 33 CO -0.00 -0.05 0.18 0.42 -1.46 0.00 0.00 175.22 174.30 1de1 s ILE 34 N -2.40 -0.28 -0.13 3.12 1.01 0.30 -4.79 121.20 118.03 1de1 s ILE 34 Ca 0.47 0.32 -0.10 0.00 0.00 0.00 0.00 60.65 61.34 1de1 s ILE 34 Cb -0.10 -0.33 -0.05 0.00 0.01 0.00 0.00 42.46 41.99 1de1 s ILE 34 CO 0.36 0.13 0.21 0.54 0.00 0.00 0.00 174.94 176.17 1de1 s ASN 35 N 2.31 6.42 0.01 3.58 2.20 -1.26 -0.58 114.94 127.63 1de1 s ASN 35 Ca 0.03 0.50 0.22 0.00 -0.94 0.00 0.00 52.86 52.67 1de1 s ASN 35 Cb -0.12 -2.12 -0.14 0.00 -2.00 0.00 0.00 41.25 36.86 1de1 s ASN 35 CO -0.06 0.29 0.85 2.30 -2.94 0.00 0.00 177.10 177.53 1de1 n ILE 36 N 2.59 0.06 -3.81 0.54 -6.64 -0.99 -4.64 119.36 106.46 1de1 n ILE 36 Ca -0.17 -0.22 -0.28 0.00 -1.77 0.00 0.00 62.75 60.32 1de1 n ILE 36 Cb 0.53 0.44 -0.12 0.00 -1.44 0.00 0.00 39.64 39.06 1de1 n ILE 36 CO 0.00 0.00 0.00 -0.32 -1.77 0.00 0.00 176.55 174.46 1de1 s MET 37 N -3.20 2.19 -0.20 6.28 0.00 -1.26 0.16 119.30 123.26 1de1 s MET 37 Ca 0.02 -3.12 0.01 0.00 0.00 0.00 0.00 55.69 52.61 1de1 s MET 37 Cb 0.15 -3.07 0.27 0.00 0.00 0.00 0.00 34.83 32.18 1de1 s MET 37 CO 0.85 -1.30 1.46 -0.35 0.00 0.00 0.00 175.02 175.68 1de1 n PRO 38 N 2.14 1.55 -4.16 4.11 -0.04 -1.26 -4.87 135.00 132.47 1de1 n PRO 38 Ca 0.21 -1.28 -0.10 0.00 -0.04 0.00 0.00 63.50 62.29 1de1 n PRO 38 Cb 0.37 -1.50 -0.10 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 -1.42 0.93 0.00 0.54 2.56 -1.26 -5.01 118.70 115.05 1de1 s GLU 39 Ca 0.24 -1.44 0.00 0.00 0.00 0.00 0.00 54.97 53.77 1de1 s GLU 39 Cb 0.20 0.15 0.00 0.00 2.00 0.00 0.00 34.13 36.48 1de1 s GLU 39 CO 0.04 -0.23 0.77 1.17 -0.56 0.00 0.00 175.26 176.45 1de1 n LYS 40 N -0.10 0.00 0.00 4.30 4.81 -1.26 -3.93 118.16 121.97 1de1 n LYS 40 Ca -0.06 0.29 0.00 0.00 -0.87 0.00 0.00 58.31 57.67 1de1 n LYS 40 Cb 0.63 -1.64 0.00 0.00 0.02 0.00 0.00 35.03 34.05 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 -1.27 -0.69 3.18 3.14 0.00 -1.26 -5.03 105.19 103.26 1de1 n GLY 41 Ca 0.00 0.24 -0.11 0.00 0.00 0.00 0.00 46.02 46.15 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 -0.24 0.45 1.61 1.01 -1.25 -5.15 120.40 116.83 1de1 s VAL 42 Ca 0.00 0.16 -0.25 0.00 0.00 0.00 0.00 61.98 61.89 1de1 s VAL 42 Cb 0.00 -0.55 -0.08 0.00 0.00 0.00 0.00 36.38 35.76 1de1 s VAL 42 CO 0.00 0.06 1.33 -0.36 0.00 0.00 0.00 175.10 176.14 1de1 s PHE 43 N 1.83 2.61 -0.26 5.22 0.40 -1.26 -4.12 117.98 122.40 1de1 s PHE 43 Ca -0.06 1.38 -0.12 0.00 -0.60 0.00 0.00 56.93 57.53 1de1 s PHE 43 Cb -0.10 -3.73 -0.05 0.00 0.51 0.00 0.00 43.02 39.65 1de1 s PHE 43 CO -0.11 -2.42 0.22 0.34 0.70 0.00 0.00 175.22 173.95 1de1 s ASP 44 N -0.80 6.11 0.50 1.36 2.15 0.43 -4.96 116.67 121.46 1de1 s ASP 44 Ca 0.62 0.10 0.26 0.00 0.43 0.00 0.00 52.55 53.96 1de1 s ASP 44 Cb -0.39 -2.14 1.28 0.00 -0.30 0.00 0.00 42.92 41.38 1de1 s ASP 44 CO 0.49 -0.04 1.99 0.44 -0.17 0.00 0.00 175.17 177.89 1de1 h ASP 45 N 8.03 0.00 0.12 -0.34 3.32 -1.94 -1.84 116.42 123.77 1de1 h ASP 45 Ca -0.35 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.70 1de1 h ASP 45 Cb 1.18 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.72 1de1 h ASP 45 CO 0.60 0.16 -0.12 -0.08 -1.72 0.00 0.00 179.24 178.08 1de1 h GLU 46 N 0.00 -0.26 0.05 3.56 4.81 -1.95 0.43 114.58 121.22 1de1 h GLU 46 Ca -0.00 0.02 -0.27 0.00 -0.13 0.00 0.00 59.36 58.98 1de1 h GLU 46 Cb 0.46 0.06 0.02 0.00 0.63 0.00 0.00 28.75 29.92 1de1 h GLU 46 CO 0.02 -0.18 -1.09 0.87 -0.73 0.00 0.00 179.01 177.90 1de1 h LYS 47 N -0.27 0.56 -0.96 1.92 6.56 -1.88 -2.98 116.57 119.53 1de1 h LYS 47 Ca 0.00 -0.67 0.02 0.00 -1.06 0.00 0.00 60.65 58.95 1de1 h LYS 47 Cb 0.26 0.20 -0.05 0.00 -0.57 0.00 0.00 32.23 32.07 1de1 h LYS 47 CO -0.03 1.27 0.63 0.82 -2.06 0.00 0.00 179.45 180.08 1de1 h ILE 48 N 0.29 1.20 0.55 1.86 2.04 -1.20 0.17 117.51 122.43 1de1 h ILE 48 Ca -0.13 -0.43 -0.03 0.00 1.00 0.00 0.00 64.86 65.27 1de1 h ILE 48 Cb 1.75 -0.16 0.01 0.00 -0.74 0.00 0.00 36.82 37.67 1de1 h ILE 48 CO 0.20 0.23 -0.27 0.00 0.00 0.00 0.00 178.15 178.32 1de1 h ALA 49 N 1.37 -0.74 0.00 1.87 0.00 -0.18 -2.94 119.26 118.65 1de1 h ALA 49 Ca 0.37 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 1de1 h ALA 49 Cb -0.07 0.29 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 1de1 h ALA 49 CO -0.10 -0.76 -0.01 1.05 0.00 0.00 0.00 179.25 179.44 1de1 h GLU 50 N -1.07 0.00 0.58 0.00 4.11 -1.44 -2.69 114.58 114.08 1de1 h GLU 50 Ca -0.08 0.00 -0.03 0.00 0.07 0.00 0.00 59.36 59.33 1de1 h GLU 50 Cb 0.63 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.88 1de1 h GLU 50 CO 0.12 0.01 -0.31 1.25 0.07 0.00 0.00 179.01 180.15 1de1 h LEU 51 N 0.00 -0.76 -0.55 3.06 5.85 -0.58 0.73 115.31 123.06 1de1 h LEU 51 Ca -0.00 0.03 0.10 0.00 0.84 0.00 0.00 57.88 58.86 1de1 h LEU 51 Cb 0.01 0.21 -0.08 0.00 0.37 0.00 0.00 40.66 41.17 1de1 h LEU 51 CO 0.00 -0.51 0.08 -0.07 -0.34 0.00 0.00 178.44 177.60 1de1 h LEU 52 N -0.83 -0.08 -1.01 2.25 3.38 -1.30 0.36 115.31 118.08 1de1 h LEU 52 Ca -0.08 0.11 -0.08 0.00 0.09 0.00 0.00 57.88 57.93 1de1 h LEU 52 Cb 0.65 0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.56 1de1 h LEU 52 CO 0.11 -0.02 -0.14 0.74 0.09 0.00 0.00 178.44 179.21 1de1 h THR 53 N 0.20 1.24 -0.59 0.22 2.02 -1.35 -2.61 112.91 112.05 1de1 h THR 53 Ca 0.29 -1.09 -0.10 0.00 0.77 0.00 0.00 66.41 66.27 1de1 h THR 53 Cb 0.42 1.16 -0.02 0.00 -1.74 0.00 0.00 68.15 67.97 1de1 h THR 53 CO -0.40 0.36 -0.04 0.50 0.37 0.00 0.00 175.52 176.31 1de1 h LYS 54 N 0.50 1.06 -0.10 6.66 1.63 0.29 -3.07 116.57 123.54 1de1 h LYS 54 Ca 0.09 -0.35 0.00 0.00 -0.85 0.00 0.00 60.65 59.54 1de1 h LYS 54 Cb 0.54 -0.09 -0.01 0.00 -0.60 0.00 0.00 32.23 32.08 1de1 h LYS 54 CO 0.03 1.05 0.06 -0.07 -3.45 0.00 0.00 179.45 177.08 1de1 h LEU 55 N 0.96 0.10 0.00 5.20 3.38 -0.09 -3.43 115.31 121.43 1de1 h LEU 55 Ca 0.16 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.13 1de1 h LEU 55 Cb 0.60 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.33 1de1 h LEU 55 CO 0.04 0.07 0.00 0.61 0.09 0.00 0.00 178.44 179.25 1de1 n GLY 56 N -1.12 -1.08 1.06 0.83 0.00 -1.01 -4.86 105.19 99.01 1de1 n GLY 56 Ca -0.05 0.51 -0.01 0.00 0.00 0.00 0.00 46.02 46.47 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 0.00 0.00 1.61 1.74 -1.26 -4.58 116.66 114.17 1de1 n ARG 57 Ca 0.00 -1.23 0.00 0.00 -0.77 0.00 0.00 57.85 55.85 1de1 n ARG 57 Cb 0.00 0.15 0.00 0.00 -1.02 0.00 0.00 32.46 31.59 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 0.18 1.23 -4.47 0.55 2.03 -1.26 -5.14 116.55 109.67 1de1 n ASP 58 Ca -0.09 0.00 -0.24 0.00 0.52 0.00 0.00 54.79 54.98 1de1 n ASP 58 Cb 0.83 0.00 -0.10 0.00 -0.72 0.00 0.00 41.12 41.13 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 1.20 2.26 -0.36 5.18 -1.32 -1.26 -4.93 115.64 116.40 1de1 s THR 59 Ca 0.00 -2.31 0.04 0.00 -1.21 0.00 0.00 61.69 58.21 1de1 s THR 59 Cb 0.00 -2.38 0.10 0.00 -1.51 0.00 0.00 72.50 68.72 1de1 s THR 59 CO 0.00 -0.36 0.07 0.00 -2.21 0.00 0.00 174.62 172.12 1de1 s GLN 60 N -3.57 1.53 -1.05 7.08 -2.07 -1.26 -5.05 119.66 115.26 1de1 s GLN 60 Ca 0.30 -1.95 -0.21 0.00 -1.82 0.00 0.00 55.36 51.67 1de1 s GLN 60 Cb -0.02 -3.21 0.07 0.00 -1.09 0.00 0.00 33.01 28.76 1de1 s GLN 60 CO 0.14 -0.96 1.45 0.42 -1.32 0.00 0.00 175.29 175.02 1de1 s ILE 61 N 0.77 4.09 0.00 3.63 1.01 -1.26 -3.53 121.20 125.91 1de1 s ILE 61 Ca 0.12 -1.09 0.00 0.00 0.00 0.00 0.00 60.65 59.68 1de1 s ILE 61 Cb -0.20 -5.04 0.00 0.00 0.01 0.00 0.00 42.46 37.23 1de1 s ILE 61 CO -0.07 -1.89 0.00 0.61 0.00 0.00 0.00 174.94 173.59 1de1 n GLY 62 N 6.41 1.66 3.69 6.18 0.00 -1.26 -5.02 105.19 116.86 1de1 n GLY 62 Ca 0.34 -0.04 -0.57 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.01 2.21 -4.83 0.99 -0.00 -1.23 -4.94 117.00 109.19 1de1 n LEU 63 Ca 0.00 1.09 -0.29 0.00 -0.00 0.00 0.00 56.01 56.80 1de1 n LEU 63 Cb 0.03 -1.14 -0.05 0.00 -0.00 0.00 0.00 43.42 42.25 1de1 n LEU 63 CO 0.00 -0.56 -0.21 0.42 -0.00 0.00 0.00 177.39 177.03 1de1 s THR 64 N 2.98 4.78 0.21 1.96 -4.23 -1.26 -5.13 115.64 114.95 1de1 s THR 64 Ca 0.96 -0.75 0.09 0.00 -1.18 0.00 0.00 61.69 60.81 1de1 s THR 64 Cb -1.06 -3.35 -0.04 0.00 1.34 0.00 0.00 72.50 69.38 1de1 s THR 64 CO 0.63 0.06 -0.03 -0.04 -0.54 0.00 0.00 174.62 174.70 1de1 s MET 65 N -2.64 2.26 0.14 3.99 -1.94 -1.26 -4.09 119.30 115.75 1de1 s MET 65 Ca 0.31 -1.26 -0.21 0.00 -1.71 0.00 0.00 55.69 52.82 1de1 s MET 65 Cb -0.12 -2.23 -0.07 0.00 2.01 0.00 0.00 34.83 34.42 1de1 s MET 65 CO 0.24 0.42 0.67 -1.25 -0.01 0.00 0.00 175.02 175.08 1de1 s PRO 66 N -3.16 4.30 -0.25 2.03 0.05 -1.26 -5.00 135.00 131.72 1de1 s PRO 66 Ca 0.28 0.87 -0.10 0.00 0.05 0.00 0.00 61.00 62.10 1de1 s PRO 66 Cb -0.08 -3.13 -0.05 0.00 0.05 0.00 0.00 34.50 31.29 1de1 s PRO 66 CO 0.18 0.55 0.16 -0.65 0.05 0.00 0.00 177.00 177.29 1de1 s GLN 67 N -1.40 4.04 0.30 4.56 -1.52 0.16 -4.34 119.66 121.46 1de1 s GLN 67 Ca 0.35 -0.28 0.02 0.00 -1.95 0.00 0.00 55.36 53.50 1de1 s GLN 67 Cb -0.19 -3.55 -0.03 0.00 -0.22 0.00 0.00 33.01 29.02 1de1 s GLN 67 CO 0.22 0.02 0.47 0.08 -0.25 0.00 0.00 175.29 175.83 1de1 s VAL 68 N 1.17 5.17 -0.01 1.09 1.01 0.25 0.20 120.40 129.27 1de1 s VAL 68 Ca 0.07 -0.65 -0.05 0.00 0.00 0.00 0.00 61.98 61.34 1de1 s VAL 68 Cb -0.14 -3.85 0.00 0.00 0.00 0.00 0.00 36.38 32.39 1de1 s VAL 68 CO 0.05 -0.45 0.11 -0.36 0.00 0.00 0.00 175.10 174.45 1de1 s PHE 69 N -2.17 0.01 0.82 5.22 0.08 0.38 -2.72 117.98 119.61 1de1 s PHE 69 Ca 0.38 -0.02 -0.13 0.00 0.12 0.00 0.00 56.93 57.27 1de1 s PHE 69 Cb -0.09 -0.03 0.07 0.00 -0.57 0.00 0.00 43.02 42.39 1de1 s PHE 69 CO 0.33 -0.20 1.07 0.00 -0.10 0.00 0.00 175.22 176.32 1de1 n ALA 70 N 1.99 -0.42 1.12 5.36 0.00 0.31 -0.27 120.51 128.59 1de1 n ALA 70 Ca -0.19 -0.36 0.10 0.00 0.00 0.00 0.00 53.44 52.99 1de1 n ALA 70 Cb 0.57 -2.17 0.57 0.00 0.00 0.00 0.00 19.45 18.41 1de1 n ALA 70 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1de1 n PRO 71 N -2.98 0.43 0.00 0.00 -0.02 -1.17 -2.61 135.00 128.65 1de1 n PRO 71 Ca 0.13 0.06 0.02 0.00 -2.02 0.00 0.00 63.50 61.69 1de1 n PRO 71 Cb 0.51 -1.50 -0.03 0.00 -0.02 0.00 0.00 33.50 32.46 1de1 n PRO 71 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 1de1 n ASP 72 N -1.19 0.28 0.00 2.55 5.68 -1.26 -4.75 116.55 117.86 1de1 n ASP 72 Ca 0.12 -0.64 0.00 0.00 -0.50 0.00 0.00 54.79 53.77 1de1 n ASP 72 Cb 0.13 0.97 0.00 0.00 -1.14 0.00 0.00 41.12 41.08 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 1.09 1.12 3.64 6.12 0.00 -1.07 -5.18 105.19 110.91 1de1 n GLY 73 Ca 0.01 -0.66 -0.02 0.00 0.00 0.00 0.00 46.02 45.35 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 -0.03 -0.32 1.61 0.15 -1.26 -4.87 113.70 108.99 1de1 s SER 74 Ca 0.00 0.02 -0.21 0.00 0.70 0.00 0.00 55.95 56.47 1de1 s SER 74 Cb 0.00 0.02 -0.01 0.00 -1.71 0.00 0.00 66.02 64.33 1de1 s SER 74 CO 0.00 -0.03 0.64 -2.28 1.20 0.00 0.00 173.24 172.77 1de1 s HIS 75 N -1.23 3.19 -0.25 3.44 2.46 -1.26 0.11 115.29 121.75 1de1 s HIS 75 Ca 0.10 0.53 -0.14 0.00 0.47 0.00 0.00 55.06 56.02 1de1 s HIS 75 Cb -0.01 -3.05 -0.15 0.00 -0.13 0.00 0.00 32.58 29.24 1de1 s HIS 75 CO -0.07 -0.52 -0.16 -0.89 -2.47 0.00 0.00 174.74 170.63 1de1 n ILE 76 N 5.46 1.54 0.00 0.89 5.41 -1.10 -4.90 119.36 126.66 1de1 n ILE 76 Ca -0.01 -0.32 0.00 0.00 1.00 0.00 0.00 62.75 63.42 1de1 n ILE 76 Cb 0.49 -1.87 0.00 0.00 -0.71 0.00 0.00 39.64 37.55 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 1.44 0.84 0.00 7.39 0.00 -1.20 -4.54 105.19 109.13 1de1 n GLY 77 Ca -0.47 -1.80 0.00 0.00 0.00 0.00 0.00 46.02 43.75 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 1.43 0.00 -0.02 0.00 -1.26 0.84 105.19 106.18 1de1 n GLY 78 Ca 0.00 -1.40 0.00 0.00 0.00 0.00 0.00 46.02 44.62 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 -0.16 1.61 7.35 -1.26 -2.22 117.46 122.78 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 -0.47 0.02 0.00 0.35 0.00 0.00 39.48 39.39 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 0.52 -1.01 -2.13 1.82 -1.97 0.01 116.42 113.67 1de1 h ASP 80 Ca 0.00 -0.01 0.20 0.00 -0.39 0.00 0.00 57.03 56.83 1de1 h ASP 80 Cb 0.00 -0.12 -0.11 0.00 0.68 0.00 0.00 39.33 39.78 1de1 h ASP 80 CO 0.00 0.37 0.61 -0.61 -1.61 0.00 0.00 179.24 178.00 1de1 h GLN 81 N 0.63 0.72 0.03 0.28 4.15 -1.92 0.10 115.11 119.11 1de1 h GLN 81 Ca 0.19 -0.04 -0.22 0.00 0.77 0.00 0.00 58.65 59.35 1de1 h GLN 81 Cb -0.03 -0.16 -0.02 0.00 0.21 0.00 0.00 27.48 27.48 1de1 h GLN 81 CO -0.06 0.48 -1.01 1.25 -1.93 0.00 0.00 178.83 177.55 1de1 h LEU 82 N 0.74 0.17 -1.91 -2.39 6.46 -0.88 -3.16 115.31 114.34 1de1 h LEU 82 Ca 0.59 -0.17 0.25 0.00 -0.12 0.00 0.00 57.88 58.43 1de1 h LEU 82 Cb 0.94 -0.05 -0.04 0.00 -0.73 0.00 0.00 40.66 40.77 1de1 h LEU 82 CO -0.39 1.07 0.64 0.03 -0.62 0.00 0.00 178.44 179.16 1de1 h ARG 83 N 0.04 0.07 -0.29 1.25 3.08 0.11 1.59 114.38 120.23 1de1 h ARG 83 Ca -0.05 -0.00 -0.10 0.00 0.07 0.00 0.00 59.98 59.90 1de1 h ARG 83 Cb 1.72 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 31.74 1de1 h ARG 83 CO 0.15 0.04 -0.24 1.49 -1.07 0.00 0.00 179.97 180.34 1de1 h GLU 84 N 0.07 0.56 -0.35 0.04 4.57 -1.45 1.15 114.58 119.17 1de1 h GLU 84 Ca 0.44 -0.22 -0.03 0.00 -1.18 0.00 0.00 59.36 58.37 1de1 h GLU 84 Cb 1.62 -0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 30.16 1de1 h GLU 84 CO -0.04 0.76 0.08 -0.92 -1.18 0.00 0.00 179.01 177.71 1de1 h TYR 85 N 0.50 0.51 0.00 0.92 5.03 0.22 -3.33 116.97 120.82 1de1 h TYR 85 Ca 0.07 -0.03 0.00 0.00 2.58 0.00 0.00 58.73 61.35 1de1 h TYR 85 Cb 0.69 -0.16 0.00 0.00 1.55 0.00 0.00 36.73 38.81 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 -4.34 0.00 0.69 -3.82 3.72 -0.72 -5.14 117.46 107.85 1de1 n PHE 86 Ca 0.02 0.00 0.05 0.00 -0.05 0.00 0.00 57.45 57.47 1de1 n PHE 86 Cb 0.18 -0.27 0.33 0.00 -0.94 0.00 0.00 39.48 38.78 1de1 n PHE 86 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34