#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1de2 s PHE 2 N 0.00 3.46 -0.04 1.12 0.40 -1.06 -3.42 117.98 118.44 1de2 s PHE 2 Ca 0.00 1.43 -0.01 0.00 -0.60 0.00 0.00 56.93 57.76 1de2 s PHE 2 Cb 0.00 -2.77 0.03 0.00 0.51 0.00 0.00 43.02 40.79 1de2 s PHE 2 CO 0.00 -0.37 0.02 0.15 0.70 0.00 0.00 175.22 175.72 1de2 s LYS 3 N -4.12 0.28 -0.05 0.44 3.01 -0.87 -1.15 119.74 117.28 1de2 s LYS 3 Ca 0.58 0.18 -0.00 0.00 -1.01 0.00 0.00 55.97 55.72 1de2 s LYS 3 Cb -0.10 -0.64 -0.03 0.00 -1.01 0.00 0.00 37.83 36.05 1de2 s LYS 3 CO 0.32 -0.24 -0.01 0.08 0.51 0.00 0.00 175.35 176.01 1de2 s VAL 4 N 1.65 4.12 -0.33 3.17 1.01 -0.75 0.12 120.40 129.39 1de2 s VAL 4 Ca -0.01 -0.42 0.03 0.00 0.00 0.00 0.00 61.98 61.58 1de2 s VAL 4 Cb -0.13 -2.76 0.10 0.00 0.00 0.00 0.00 36.38 33.59 1de2 s VAL 4 CO -0.03 0.53 0.06 -0.31 0.00 0.00 0.00 175.10 175.34 1de2 s TYR 5 N -0.94 3.17 0.00 5.22 1.51 0.42 0.14 117.35 126.87 1de2 s TYR 5 Ca 0.15 -2.62 0.00 0.00 -1.01 0.00 0.00 57.07 53.59 1de2 s TYR 5 Cb -0.11 -2.54 0.00 0.00 -0.11 0.00 0.00 41.96 39.19 1de2 s TYR 5 CO 0.05 -0.92 0.00 0.41 -1.11 0.00 0.00 175.55 173.97 1de2 n GLY 6 N 4.43 3.46 3.71 0.71 0.00 0.03 0.99 105.19 118.52 1de2 n GLY 6 Ca 0.02 -0.11 -0.23 0.00 0.00 0.00 0.00 46.02 45.69 1de2 n GLY 6 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1de2 s TYR 7 N 0.16 2.84 0.00 1.61 2.02 -1.26 -2.37 117.35 120.34 1de2 s TYR 7 Ca 0.00 -0.19 0.00 0.00 -0.37 0.00 0.00 57.07 56.51 1de2 s TYR 7 Cb 0.00 -1.27 0.00 0.00 -0.40 0.00 0.00 41.96 40.29 1de2 s TYR 7 CO 0.00 0.59 0.02 -0.25 -1.57 0.00 0.00 175.55 174.34 1de2 n ASP 8 N -0.99 0.00 0.00 2.29 8.00 -1.26 -4.94 116.55 119.64 1de2 n ASP 8 Ca -0.07 0.07 0.00 0.00 0.71 0.00 0.00 54.79 55.51 1de2 n ASP 8 Cb 0.59 -0.05 0.00 0.00 -0.02 0.00 0.00 41.12 41.63 1de2 n ASP 8 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 1de2 n SER 9 N -0.65 0.00 0.12 -2.24 2.88 -1.23 -4.96 113.62 107.54 1de2 n SER 9 Ca 0.00 0.00 0.07 0.00 -1.33 0.00 0.00 58.87 57.61 1de2 n SER 9 Cb 0.00 0.00 0.02 0.00 -0.75 0.00 0.00 64.21 63.48 1de2 n SER 9 CO 0.00 0.00 0.00 0.78 -1.23 0.00 0.00 175.04 174.59 1de2 h ASN 10 N 0.00 0.00 0.08 -3.46 2.35 -1.99 -3.36 115.58 109.19 1de2 h ASN 10 Ca 0.00 0.00 -0.35 0.00 -0.55 0.00 0.00 56.30 55.40 1de2 h ASN 10 Cb 0.00 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.34 1de2 h ASN 10 CO 0.00 0.26 -1.95 -0.38 -1.65 0.00 0.00 177.43 173.71 1de2 n ILE 11 N -2.95 1.69 -3.95 2.81 2.08 -1.26 -4.98 119.36 112.80 1de2 n ILE 11 Ca -0.01 -0.52 -0.10 0.00 0.56 0.00 0.00 62.75 62.69 1de2 n ILE 11 Cb 0.66 -1.76 -0.10 0.00 -0.75 0.00 0.00 39.64 37.69 1de2 n ILE 11 CO 0.00 0.00 0.00 -2.28 0.56 0.00 0.00 176.55 174.83 1de2 s HIS 12 N -2.52 0.20 0.66 1.39 2.46 -1.26 -4.62 115.29 111.61 1de2 s HIS 12 Ca -0.26 -0.45 -0.14 0.00 0.47 0.00 0.00 55.06 54.68 1de2 s HIS 12 Cb 0.07 -0.15 -0.00 0.00 -0.13 0.00 0.00 32.58 32.36 1de2 s HIS 12 CO 0.70 -0.26 1.08 0.15 -2.47 0.00 0.00 174.74 173.95 1de2 s LYS 13 N -1.80 2.92 0.00 2.88 1.02 -1.26 -3.57 119.74 119.92 1de2 s LYS 13 Ca -0.12 1.23 0.00 0.00 0.02 0.00 0.00 55.97 57.10 1de2 s LYS 13 Cb -0.07 -1.98 0.00 0.00 -0.52 0.00 0.00 37.83 35.27 1de2 s LYS 13 CO -0.01 -1.14 0.00 0.00 -0.92 0.00 0.00 175.35 173.28 1de2 n VAL 15 N 0.00 1.64 0.15 0.00 0.24 -1.26 -4.11 118.33 114.98 1de2 n VAL 15 Ca 0.00 -0.77 0.06 0.00 -2.04 0.00 0.00 64.34 61.59 1de2 n VAL 15 Cb 0.00 -1.17 0.52 0.00 -1.47 0.00 0.00 33.84 31.72 1de2 n VAL 15 CO 0.00 0.00 0.00 1.88 -2.14 0.00 0.00 176.83 176.57 1de2 h TYR 16 N 0.02 0.22 -0.56 6.34 -1.99 -1.99 -2.47 116.97 116.54 1de2 h TYR 16 Ca -0.32 -0.00 -0.02 0.00 2.00 0.00 0.00 58.73 60.39 1de2 h TYR 16 Cb 2.03 -0.07 -0.03 0.00 2.00 0.00 0.00 36.73 40.66 1de2 h TYR 16 CO 0.02 0.18 0.28 0.00 -0.00 0.00 0.00 178.16 178.63 1de2 h ASP 18 N 0.75 0.33 0.09 0.00 3.58 -1.64 -1.12 116.42 118.41 1de2 h ASP 18 Ca 0.19 0.01 -0.00 0.00 0.42 0.00 0.00 57.03 57.65 1de2 h ASP 18 Cb 0.11 -0.05 0.00 0.00 1.72 0.00 0.00 39.33 41.10 1de2 h ASP 18 CO -0.03 0.18 -0.04 0.78 -2.88 0.00 0.00 179.24 177.25 1de2 h ASN 19 N 0.35 -0.10 -0.90 2.28 2.35 -1.46 -2.99 115.58 115.10 1de2 h ASN 19 Ca 0.31 -0.49 0.14 0.00 -0.55 0.00 0.00 56.30 55.72 1de2 h ASN 19 Cb 0.74 0.03 -0.07 0.00 0.05 0.00 0.00 38.32 39.06 1de2 h ASN 19 CO -0.08 0.52 0.58 0.00 -1.65 0.00 0.00 177.43 176.79 1de2 h ALA 20 N -0.10 1.81 0.52 -0.83 0.00 -0.99 -0.03 119.26 119.65 1de2 h ALA 20 Ca -0.01 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 1de2 h ALA 20 Cb 0.58 -0.13 0.01 0.00 0.00 0.00 0.00 17.79 18.25 1de2 h ALA 20 CO 0.02 -0.06 -0.25 -0.22 0.00 0.00 0.00 179.25 178.74 1de2 h LYS 21 N 0.71 -0.67 0.00 0.00 3.64 -1.27 -2.45 116.57 116.53 1de2 h LYS 21 Ca 0.45 0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.87 1de2 h LYS 21 Cb 0.72 0.15 -0.00 0.00 -0.41 0.00 0.00 32.23 32.69 1de2 h LYS 21 CO -0.21 -0.43 -0.03 0.00 -2.27 0.00 0.00 179.45 176.51 1de2 h ARG 22 N -0.74 0.00 0.09 1.90 3.08 -1.23 -1.77 114.38 115.70 1de2 h ARG 22 Ca -0.07 0.00 0.02 0.00 0.07 0.00 0.00 59.98 60.00 1de2 h ARG 22 Cb 0.56 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.58 1de2 h ARG 22 CO 0.12 0.03 -0.21 1.25 -1.07 0.00 0.00 179.97 180.08 1de2 h LEU 23 N 0.00 -0.61 -0.37 3.04 6.46 -0.55 0.73 115.31 124.01 1de2 h LEU 23 Ca -0.00 0.07 -0.13 0.00 -0.12 0.00 0.00 57.88 57.71 1de2 h LEU 23 Cb 0.06 0.23 -0.01 0.00 -0.73 0.00 0.00 40.66 40.21 1de2 h LEU 23 CO 0.00 -0.29 -0.26 -0.07 -0.62 0.00 0.00 178.44 177.20 1de2 h LEU 24 N -0.39 0.87 -1.19 2.25 3.38 -1.21 0.84 115.31 119.87 1de2 h LEU 24 Ca 0.03 -0.44 -0.01 0.00 0.09 0.00 0.00 57.88 57.55 1de2 h LEU 24 Cb 0.42 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.90 1de2 h LEU 24 CO -0.14 1.12 0.35 0.74 0.09 0.00 0.00 178.44 180.61 1de2 h THR 25 N 0.63 1.20 0.03 0.22 2.02 -1.04 -1.61 112.91 114.35 1de2 h THR 25 Ca 0.07 -0.52 -0.21 0.00 0.77 0.00 0.00 66.41 66.52 1de2 h THR 25 Cb 0.83 0.32 -0.01 0.00 -1.74 0.00 0.00 68.15 67.56 1de2 h THR 25 CO 0.07 0.23 -0.96 0.58 0.37 0.00 0.00 175.52 175.80 1de2 h VAL 26 N 0.92 1.55 0.00 3.16 2.07 0.64 -3.13 116.25 121.46 1de2 h VAL 26 Ca 0.23 -2.89 0.00 0.00 0.82 0.00 0.00 66.70 64.87 1de2 h VAL 26 Cb 0.04 2.64 0.00 0.00 -1.52 0.00 0.00 31.29 32.45 1de2 h VAL 26 CO -0.04 0.84 0.00 0.11 0.02 0.00 0.00 177.57 178.50 1de2 h LYS 27 N 0.07 0.00 -3.40 1.57 1.79 -0.15 -3.47 116.57 112.98 1de2 h LYS 27 Ca -0.05 0.00 -0.09 0.00 -2.18 0.00 0.00 60.65 58.33 1de2 h LYS 27 Cb 1.64 0.00 0.06 0.00 -1.58 0.00 0.00 32.23 32.35 1de2 h LYS 27 CO 0.14 0.00 -0.25 1.17 -1.08 0.00 0.00 179.45 179.44 1de2 n LYS 28 N -2.42 -1.42 -3.99 3.15 3.00 -0.67 -5.06 118.16 110.75 1de2 n LYS 28 Ca 0.02 0.26 -0.13 0.00 -0.00 0.00 0.00 58.31 58.46 1de2 n LYS 28 Cb 0.27 -3.21 -0.14 0.00 0.00 0.00 0.00 35.03 31.96 1de2 n LYS 28 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.40 176.75 1de2 s GLN 29 N -3.97 0.21 0.21 1.64 1.11 -1.07 -5.07 119.66 112.71 1de2 s GLN 29 Ca 0.06 -0.19 -0.30 0.00 0.01 0.00 0.00 55.36 54.95 1de2 s GLN 29 Cb -0.01 -0.13 -0.08 0.00 -1.01 0.00 0.00 33.01 31.78 1de2 s GLN 29 CO 0.22 0.03 1.08 -1.25 0.01 0.00 0.00 175.29 175.38 1de2 s PRO 30 N -0.33 4.64 0.24 2.91 0.04 -1.26 -4.58 135.00 136.66 1de2 s PRO 30 Ca -0.02 1.71 -0.16 0.00 0.04 0.00 0.00 61.00 62.57 1de2 s PRO 30 Cb -0.03 -3.26 0.01 0.00 0.04 0.00 0.00 34.50 31.27 1de2 s PRO 30 CO -0.00 0.16 0.54 -0.59 0.04 0.00 0.00 177.00 177.15 1de2 s PHE 31 N -0.57 0.11 -0.03 0.56 -0.12 -1.26 -2.55 117.98 114.12 1de2 s PHE 31 Ca 0.47 -0.49 -0.02 0.00 -0.05 0.00 0.00 56.93 56.84 1de2 s PHE 31 Cb -0.30 0.36 0.01 0.00 -0.63 0.00 0.00 43.02 42.46 1de2 s PHE 31 CO 0.36 -1.02 0.06 -2.00 -0.05 0.00 0.00 175.22 172.57 1de2 s GLU 32 N -3.96 0.06 0.38 1.99 2.56 -0.30 -4.90 118.70 114.53 1de2 s GLU 32 Ca 0.16 0.13 -0.06 0.00 0.00 0.00 0.00 54.97 55.20 1de2 s GLU 32 Cb -0.02 -0.03 -0.05 0.00 2.00 0.00 0.00 34.13 36.03 1de2 s GLU 32 CO 0.05 -0.05 0.68 0.12 -0.56 0.00 0.00 175.26 175.50 1de2 s PHE 33 N 0.30 3.50 -0.10 5.30 5.36 -1.26 -1.81 117.98 129.27 1de2 s PHE 33 Ca -0.02 0.77 -0.03 0.00 -0.96 0.00 0.00 56.93 56.69 1de2 s PHE 33 Cb -0.03 -2.23 0.05 0.00 -0.34 0.00 0.00 43.02 40.46 1de2 s PHE 33 CO -0.01 -0.04 0.13 0.42 -1.46 0.00 0.00 175.22 174.26 1de2 s ILE 34 N -2.37 -0.20 -0.20 3.12 1.01 0.37 -4.80 121.20 118.13 1de2 s ILE 34 Ca 0.47 0.25 -0.10 0.00 0.00 0.00 0.00 60.65 61.26 1de2 s ILE 34 Cb -0.10 -0.34 -0.05 0.00 0.01 0.00 0.00 42.46 41.98 1de2 s ILE 34 CO 0.35 0.05 0.13 0.54 0.00 0.00 0.00 174.94 176.01 1de2 s ASN 35 N 2.24 6.20 -0.37 3.58 2.20 -1.26 -0.79 114.94 126.74 1de2 s ASN 35 Ca 0.04 0.24 0.05 0.00 -0.94 0.00 0.00 52.86 52.24 1de2 s ASN 35 Cb -0.13 -2.09 0.61 0.00 -2.00 0.00 0.00 41.25 37.64 1de2 s ASN 35 CO -0.06 0.19 1.78 2.30 -2.94 0.00 0.00 177.10 178.37 1de2 n ILE 36 N 3.46 2.87 -3.24 0.54 -5.35 -1.00 -4.72 119.36 111.93 1de2 n ILE 36 Ca -0.16 -1.63 -0.04 0.00 -0.27 0.00 0.00 62.75 60.66 1de2 n ILE 36 Cb 0.52 -0.50 -0.03 0.00 -1.74 0.00 0.00 39.64 37.89 1de2 n ILE 36 CO 0.00 0.00 0.00 -0.32 -1.76 0.00 0.00 176.55 174.47 1de2 s MET 37 N -2.86 0.52 0.34 6.28 0.00 -1.26 0.14 119.30 122.47 1de2 s MET 37 Ca 0.50 0.19 0.15 0.00 0.00 0.00 0.00 55.69 56.54 1de2 s MET 37 Cb 0.41 -0.08 0.60 0.00 0.00 0.00 0.00 34.83 35.76 1de2 s MET 37 CO 0.10 -1.07 1.72 -1.00 0.00 0.00 0.00 175.02 174.77 1de2 h PRO 38 N 7.93 0.00 -4.17 4.11 0.13 -1.85 -3.45 132.00 134.70 1de2 h PRO 38 Ca -0.04 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.94 1de2 h PRO 38 Cb 1.15 0.00 -0.17 0.00 0.13 0.00 0.00 31.00 32.10 1de2 h PRO 38 CO 0.20 0.45 -0.69 -1.21 -0.23 0.00 0.00 178.00 176.52 1de2 s GLU 39 N -3.71 0.51 0.00 0.86 0.41 -1.20 -5.02 118.70 110.55 1de2 s GLU 39 Ca -0.01 -0.99 0.16 0.00 -0.41 0.00 0.00 54.97 53.72 1de2 s GLU 39 Cb 0.12 0.14 0.75 0.00 -1.78 0.00 0.00 34.13 33.36 1de2 s GLU 39 CO 0.71 -0.08 1.49 1.17 -0.49 0.00 0.00 175.26 178.06 1de2 n LYS 40 N 0.69 0.12 -0.05 1.61 4.81 -1.26 -2.64 118.16 121.44 1de2 n LYS 40 Ca -0.18 0.18 -0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1de2 n LYS 40 Cb 0.59 -1.50 -0.16 0.00 0.02 0.00 0.00 35.03 33.98 1de2 n LYS 40 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1de2 n GLY 41 N 0.11 -0.95 2.86 3.14 0.00 -1.26 -4.96 105.19 104.14 1de2 n GLY 41 Ca 0.06 -0.40 -0.15 0.00 0.00 0.00 0.00 46.02 45.53 1de2 n GLY 41 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1de2 s VAL 42 N -2.93 -0.11 0.84 1.61 1.01 -1.08 -5.15 120.40 114.59 1de2 s VAL 42 Ca -0.09 0.24 -0.11 0.00 0.00 0.00 0.00 61.98 62.02 1de2 s VAL 42 Cb 0.09 -0.22 0.09 0.00 0.00 0.00 0.00 36.38 36.34 1de2 s VAL 42 CO 0.82 0.10 1.09 -0.36 0.00 0.00 0.00 175.10 176.76 1de2 s PHE 43 N 1.49 2.56 -0.76 5.22 0.08 -1.26 -3.22 117.98 122.09 1de2 s PHE 43 Ca -0.05 1.26 -0.18 0.00 0.12 0.00 0.00 56.93 58.07 1de2 s PHE 43 Cb -0.12 -3.12 0.13 0.00 -0.57 0.00 0.00 43.02 39.34 1de2 s PHE 43 CO -0.05 -2.05 0.90 0.34 -0.10 0.00 0.00 175.22 174.25 1de2 s ASP 44 N -3.60 6.44 0.54 1.36 -1.08 0.38 -4.73 116.67 115.98 1de2 s ASP 44 Ca 0.62 -1.83 0.22 0.00 -0.52 0.00 0.00 52.55 51.04 1de2 s ASP 44 Cb -0.16 -2.33 1.45 0.00 -1.46 0.00 0.00 42.92 40.41 1de2 s ASP 44 CO 0.56 -1.04 2.16 0.44 0.52 0.00 0.00 175.17 177.81 1de2 h ASP 45 N 8.85 0.00 0.40 -0.34 5.19 -1.94 -0.55 116.42 128.04 1de2 h ASP 45 Ca -0.06 0.00 -0.02 0.00 -0.62 0.00 0.00 57.03 56.33 1de2 h ASP 45 Cb 1.05 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.57 1de2 h ASP 45 CO 1.05 0.04 -0.19 -0.33 -3.12 0.00 0.00 179.24 176.68 1de2 h GLU 46 N 0.00 -0.52 -0.17 3.56 5.08 -1.95 0.66 114.58 121.23 1de2 h GLU 46 Ca -0.00 0.04 -0.13 0.00 -1.00 0.00 0.00 59.36 58.27 1de2 h GLU 46 Cb 0.07 0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 1de2 h GLU 46 CO 0.00 -0.32 -0.45 0.87 -1.00 0.00 0.00 179.01 178.12 1de2 h LYS 47 N -0.59 0.41 -0.61 2.33 1.79 -1.81 -2.23 116.57 115.87 1de2 h LYS 47 Ca -0.06 -0.22 -0.09 0.00 -2.18 0.00 0.00 60.65 58.11 1de2 h LYS 47 Cb 0.44 0.01 -0.02 0.00 -1.58 0.00 0.00 32.23 31.08 1de2 h LYS 47 CO 0.09 0.78 0.01 0.82 -1.08 0.00 0.00 179.45 180.07 1de2 h ILE 48 N 0.33 1.26 0.41 1.86 2.04 -0.90 -0.42 117.51 122.09 1de2 h ILE 48 Ca 0.02 -1.13 -0.02 0.00 1.00 0.00 0.00 64.86 64.73 1de2 h ILE 48 Cb 0.92 0.78 0.00 0.00 -0.74 0.00 0.00 36.82 37.78 1de2 h ILE 48 CO 0.08 0.41 -0.20 0.00 0.00 0.00 0.00 178.15 178.45 1de2 h ALA 49 N 1.03 -0.55 -0.62 1.87 0.00 0.49 -2.76 119.26 118.72 1de2 h ALA 49 Ca 0.18 -0.19 0.04 0.00 0.00 0.00 0.00 54.91 54.94 1de2 h ALA 49 Cb 0.54 0.21 -0.04 0.00 0.00 0.00 0.00 17.79 18.51 1de2 h ALA 49 CO 0.03 -0.62 0.41 1.05 0.00 0.00 0.00 179.25 180.11 1de2 h GLU 50 N -0.92 0.67 -0.11 0.00 4.11 -1.43 -2.26 114.58 114.64 1de2 h GLU 50 Ca -0.06 -0.04 0.03 0.00 0.07 0.00 0.00 59.36 59.36 1de2 h GLU 50 Cb 0.56 -0.15 -0.03 0.00 0.50 0.00 0.00 28.75 29.63 1de2 h GLU 50 CO 0.09 0.44 -0.06 1.25 0.07 0.00 0.00 179.01 180.80 1de2 h LEU 51 N 0.69 -0.20 -0.46 3.06 5.85 -1.03 0.27 115.31 123.48 1de2 h LEU 51 Ca 0.25 0.05 0.08 0.00 0.84 0.00 0.00 57.88 59.10 1de2 h LEU 51 Cb 0.14 0.11 -0.07 0.00 0.37 0.00 0.00 40.66 41.22 1de2 h LEU 51 CO -0.07 -0.08 0.05 -0.07 -0.34 0.00 0.00 178.44 177.93 1de2 h LEU 52 N -0.06 -0.08 -1.15 2.25 3.38 -1.11 0.12 115.31 118.66 1de2 h LEU 52 Ca 0.07 0.09 -0.05 0.00 0.09 0.00 0.00 57.88 58.08 1de2 h LEU 52 Cb 0.15 0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.03 1de2 h LEU 52 CO -0.15 -0.01 0.04 0.74 0.09 0.00 0.00 178.44 179.15 1de2 h THR 53 N 0.17 1.21 -0.63 0.22 2.02 -1.22 -2.07 112.91 112.61 1de2 h THR 53 Ca 0.23 -0.81 -0.05 0.00 0.77 0.00 0.00 66.41 66.54 1de2 h THR 53 Cb 0.32 0.86 -0.03 0.00 -1.74 0.00 0.00 68.15 67.56 1de2 h THR 53 CO -0.33 0.29 0.17 0.11 0.37 0.00 0.00 175.52 176.13 1de2 h LYS 54 N 0.61 0.97 0.29 6.66 1.79 0.15 -3.03 116.57 124.01 1de2 h LYS 54 Ca 0.13 -0.20 -0.01 0.00 -2.18 0.00 0.00 60.65 58.38 1de2 h LYS 54 Cb 0.33 -0.14 0.00 0.00 -1.58 0.00 0.00 32.23 30.84 1de2 h LYS 54 CO 0.01 0.85 -0.14 -0.07 -1.08 0.00 0.00 179.45 179.01 1de2 h LEU 55 N 0.93 -0.33 0.00 2.94 3.38 -0.22 -3.47 115.31 118.54 1de2 h LEU 55 Ca 0.20 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1de2 h LEU 55 Cb 0.30 0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.14 1de2 h LEU 55 CO -0.00 -0.07 0.00 0.61 0.09 0.00 0.00 178.44 179.07 1de2 n GLY 56 N -0.69 -0.86 1.36 0.83 0.00 -0.85 -4.99 105.19 100.00 1de2 n GLY 56 Ca -0.10 0.56 -0.02 0.00 0.00 0.00 0.00 46.02 46.47 1de2 n GLY 56 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1de2 n ARG 57 N 0.00 0.13 0.00 1.61 -4.01 -1.26 -4.51 116.66 108.61 1de2 n ARG 57 Ca 0.00 -1.54 0.00 0.00 -1.04 0.00 0.00 57.85 55.27 1de2 n ARG 57 Cb 0.00 0.20 0.00 0.00 -3.04 0.00 0.00 32.46 29.62 1de2 n ARG 57 CO 0.00 0.00 0.00 -0.25 -3.04 0.00 0.00 177.63 174.34 1de2 n ASP 58 N 0.12 0.00 -4.62 2.89 8.00 -1.26 -5.15 116.55 116.54 1de2 n ASP 58 Ca -0.12 0.00 -0.28 0.00 0.71 0.00 0.00 54.79 55.11 1de2 n ASP 58 Cb 0.91 0.00 -0.11 0.00 -0.02 0.00 0.00 41.12 41.90 1de2 n ASP 58 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 1de2 s THR 59 N 2.10 1.91 -0.76 -3.53 -1.32 -1.26 -4.99 115.64 107.78 1de2 s THR 59 Ca 0.00 -2.00 -0.25 0.00 -1.21 0.00 0.00 61.69 58.23 1de2 s THR 59 Cb 0.00 -2.94 0.05 0.00 -1.51 0.00 0.00 72.50 68.10 1de2 s THR 59 CO 0.00 0.00 1.21 -1.10 -2.21 0.00 0.00 174.62 172.52 1de2 s GLN 60 N -3.73 3.24 -1.18 7.08 -0.21 -1.26 -4.94 119.66 118.66 1de2 s GLN 60 Ca 0.33 -0.59 -0.20 0.00 0.02 0.00 0.00 55.36 54.93 1de2 s GLN 60 Cb 0.09 -4.38 0.07 0.00 1.00 0.00 0.00 33.01 29.79 1de2 s GLN 60 CO 0.17 -2.05 1.61 0.96 -2.12 0.00 0.00 175.29 173.86 1de2 s ILE 61 N 5.05 4.07 -1.82 1.08 -4.36 -1.26 -4.15 121.20 119.81 1de2 s ILE 61 Ca 0.33 -1.48 0.00 0.00 -0.26 0.00 0.00 60.65 59.24 1de2 s ILE 61 Cb -0.09 -5.13 0.00 0.00 1.25 0.00 0.00 42.46 38.49 1de2 s ILE 61 CO 0.09 -1.98 0.00 0.61 0.24 0.00 0.00 174.94 173.90 1de2 n GLY 62 N 5.95 0.52 3.61 6.27 0.00 -1.26 -4.93 105.19 115.35 1de2 n GLY 62 Ca 0.42 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 46.11 1de2 n GLY 62 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1de2 n LEU 63 N -2.67 2.86 -4.40 0.99 7.99 -1.26 -5.04 117.00 115.48 1de2 n LEU 63 Ca -0.21 0.48 -0.20 0.00 -0.01 0.00 0.00 56.01 56.07 1de2 n LEU 63 Cb 0.65 -1.42 -0.10 0.00 -0.11 0.00 0.00 43.42 42.44 1de2 n LEU 63 CO 0.28 -2.34 -0.26 0.42 -1.51 0.00 0.00 177.39 173.97 1de2 s THR 64 N -2.34 0.91 0.20 -5.08 -4.23 -1.26 -5.14 115.64 98.71 1de2 s THR 64 Ca 0.67 -2.00 0.11 0.00 -1.18 0.00 0.00 61.69 59.30 1de2 s THR 64 Cb -0.26 -2.72 -0.04 0.00 1.34 0.00 0.00 72.50 70.82 1de2 s THR 64 CO 0.57 0.00 -0.23 -0.04 -0.54 0.00 0.00 174.62 174.38 1de2 s MET 65 N -3.94 1.51 0.46 3.99 -1.94 -1.26 -4.20 119.30 113.91 1de2 s MET 65 Ca 0.37 -1.54 -0.18 0.00 -1.71 0.00 0.00 55.69 52.63 1de2 s MET 65 Cb 0.08 -1.79 -0.09 0.00 2.01 0.00 0.00 34.83 35.04 1de2 s MET 65 CO 0.15 0.38 0.93 -2.14 -0.01 0.00 0.00 175.02 174.33 1de2 s PRO 66 N -2.75 4.05 -0.31 2.03 0.02 -1.26 -5.01 135.00 131.77 1de2 s PRO 66 Ca 0.21 0.96 -0.06 0.00 0.02 0.00 0.00 61.00 62.12 1de2 s PRO 66 Cb -0.07 -2.20 0.02 0.00 0.02 0.00 0.00 34.50 32.27 1de2 s PRO 66 CO 0.10 -0.12 0.08 -0.65 -0.33 0.00 0.00 177.00 176.08 1de2 s GLN 67 N -3.61 2.90 0.53 5.54 -0.21 0.28 -4.12 119.66 120.97 1de2 s GLN 67 Ca 0.59 -0.98 -0.02 0.00 0.02 0.00 0.00 55.36 54.97 1de2 s GLN 67 Cb -0.10 -3.39 0.01 0.00 1.00 0.00 0.00 33.01 30.54 1de2 s GLN 67 CO 0.23 -0.53 0.78 0.08 -2.12 0.00 0.00 175.29 173.74 1de2 s VAL 68 N 1.46 3.44 -0.02 1.09 1.01 0.07 0.16 120.40 127.60 1de2 s VAL 68 Ca 0.01 -0.39 -0.02 0.00 0.00 0.00 0.00 61.98 61.58 1de2 s VAL 68 Cb -0.18 -3.32 0.01 0.00 0.00 0.00 0.00 36.38 32.89 1de2 s VAL 68 CO 0.02 -0.26 0.06 -0.36 0.00 0.00 0.00 175.10 174.57 1de2 s PHE 69 N -2.78 -0.07 0.81 5.22 0.08 0.32 -2.76 117.98 118.80 1de2 s PHE 69 Ca 0.53 0.17 -0.13 0.00 0.12 0.00 0.00 56.93 57.62 1de2 s PHE 69 Cb -0.10 0.02 0.09 0.00 -0.57 0.00 0.00 43.02 42.45 1de2 s PHE 69 CO 0.40 -0.04 1.18 0.00 -0.10 0.00 0.00 175.22 176.67 1de2 s ALA 70 N 0.08 1.84 0.48 5.36 0.00 0.33 -2.05 121.76 127.79 1de2 s ALA 70 Ca -0.00 0.76 0.19 0.00 0.00 0.00 0.00 51.96 52.91 1de2 s ALA 70 Cb -0.01 -3.46 1.22 0.00 0.00 0.00 0.00 23.12 20.86 1de2 s ALA 70 CO -0.00 -2.28 2.00 -1.35 0.00 0.00 0.00 175.76 174.12 1de2 h PRO 71 N -1.01 0.18 0.11 0.00 0.11 -1.89 -1.42 132.00 128.08 1de2 h PRO 71 Ca -0.46 -0.01 -0.27 0.00 0.11 0.00 0.00 66.00 65.38 1de2 h PRO 71 Cb 1.29 -0.04 0.01 0.00 0.11 0.00 0.00 31.00 32.36 1de2 h PRO 71 CO 0.46 0.12 -1.18 0.38 -0.21 0.00 0.00 178.00 177.57 1de2 h ASP 72 N 0.19 0.49 0.00 -2.05 2.03 -1.90 -3.24 116.42 111.93 1de2 h ASP 72 Ca 0.25 -0.48 0.00 0.00 -0.73 0.00 0.00 57.03 56.07 1de2 h ASP 72 Cb 0.73 -0.16 0.00 0.00 -0.83 0.00 0.00 39.33 39.08 1de2 h ASP 72 CO -0.04 1.35 0.00 0.61 -1.03 0.00 0.00 179.24 180.13 1de2 n GLY 73 N 1.39 0.57 3.59 7.15 0.00 -0.53 -5.08 105.19 112.28 1de2 n GLY 73 Ca -0.09 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.66 1de2 n GLY 73 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1de2 s SER 74 N -1.00 3.74 -0.30 1.61 0.01 -1.25 -4.87 113.70 111.64 1de2 s SER 74 Ca 0.00 -1.34 -0.20 0.00 1.31 0.00 0.00 55.95 55.72 1de2 s SER 74 Cb 0.00 -0.37 -0.01 0.00 0.21 0.00 0.00 66.02 65.85 1de2 s SER 74 CO 0.00 -0.42 0.63 -2.28 0.41 0.00 0.00 173.24 171.58 1de2 s HIS 75 N -2.74 3.22 -0.21 2.43 2.46 -1.26 0.12 115.29 119.31 1de2 s HIS 75 Ca 0.35 0.61 -0.20 0.00 0.47 0.00 0.00 55.06 56.28 1de2 s HIS 75 Cb 0.09 -2.99 -0.19 0.00 -0.13 0.00 0.00 32.58 29.36 1de2 s HIS 75 CO 0.17 -0.47 0.20 -0.89 -2.47 0.00 0.00 174.74 171.28 1de2 n ILE 76 N 5.39 1.55 0.00 0.89 5.41 -1.11 -4.85 119.36 126.63 1de2 n ILE 76 Ca -0.01 -0.08 0.00 0.00 1.00 0.00 0.00 62.75 63.66 1de2 n ILE 76 Cb 0.49 -2.02 0.00 0.00 -0.71 0.00 0.00 39.64 37.40 1de2 n ILE 76 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1de2 n GLY 77 N 1.46 0.57 0.00 7.39 0.00 -1.24 -4.52 105.19 108.85 1de2 n GLY 77 Ca -0.33 -1.83 0.00 0.00 0.00 0.00 0.00 46.02 43.85 1de2 n GLY 77 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1de2 n GLY 78 N 0.00 1.69 0.00 -0.02 0.00 -1.26 -0.75 105.19 104.86 1de2 n GLY 78 Ca 0.00 -1.80 0.00 0.00 0.00 0.00 0.00 46.02 44.22 1de2 n GLY 78 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1de2 n PHE 79 N 0.00 0.00 -0.15 1.61 7.35 -1.26 -0.62 117.46 124.39 1de2 n PHE 79 Ca 0.00 0.00 -0.04 0.00 -0.76 0.00 0.00 57.45 56.65 1de2 n PHE 79 Cb 0.00 -0.49 0.04 0.00 0.35 0.00 0.00 39.48 39.38 1de2 n PHE 79 CO 0.00 0.00 0.00 0.22 -0.76 0.00 0.00 176.76 176.22 1de2 h ASP 80 N 0.00 0.25 -0.74 -2.13 3.58 -1.97 0.18 116.42 115.59 1de2 h ASP 80 Ca 0.00 0.04 0.09 0.00 0.42 0.00 0.00 57.03 57.58 1de2 h ASP 80 Cb 0.00 0.00 -0.05 0.00 1.72 0.00 0.00 39.33 41.00 1de2 h ASP 80 CO 0.00 0.18 0.49 -0.61 -2.88 0.00 0.00 179.24 176.41 1de2 h GLN 81 N 0.39 0.63 0.04 0.28 5.75 -1.91 -1.37 115.11 118.92 1de2 h GLN 81 Ca 0.21 -0.04 -0.25 0.00 -0.15 0.00 0.00 58.65 58.42 1de2 h GLN 81 Cb 0.17 -0.14 0.01 0.00 1.07 0.00 0.00 27.48 28.59 1de2 h GLN 81 CO -0.19 0.42 -1.05 1.25 -2.65 0.00 0.00 178.83 176.61 1de2 h LEU 82 N 0.65 0.64 -1.84 -2.39 6.46 0.61 -3.09 115.31 116.35 1de2 h LEU 82 Ca 0.34 -0.54 0.21 0.00 -0.12 0.00 0.00 57.88 57.77 1de2 h LEU 82 Cb 0.46 -0.20 -0.04 0.00 -0.73 0.00 0.00 40.66 40.15 1de2 h LEU 82 CO -0.12 1.36 0.56 0.03 -0.62 0.00 0.00 178.44 179.65 1de2 h ARG 83 N 0.25 0.13 -0.12 1.25 3.08 0.44 1.40 114.38 120.81 1de2 h ARG 83 Ca -0.11 -0.01 -0.14 0.00 0.07 0.00 0.00 59.98 59.79 1de2 h ARG 83 Cb 1.70 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 31.71 1de2 h ARG 83 CO 0.19 0.09 -0.51 0.93 -1.07 0.00 0.00 179.97 179.59 1de2 h GLU 84 N 0.14 0.33 0.00 0.04 5.08 -1.41 1.03 114.58 119.79 1de2 h GLU 84 Ca 0.39 -0.20 -0.06 0.00 -1.00 0.00 0.00 59.36 58.50 1de2 h GLU 84 Cb 1.34 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.60 1de2 h GLU 84 CO -0.06 0.77 -0.26 -0.92 -1.00 0.00 0.00 179.01 177.54 1de2 h TYR 85 N 0.26 0.00 0.00 4.33 5.03 0.18 -2.71 116.97 124.06 1de2 h TYR 85 Ca 0.01 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.32 1de2 h TYR 85 Cb 1.00 0.00 0.00 0.00 1.55 0.00 0.00 36.73 39.28 1de2 h TYR 85 CO 0.03 0.26 -1.70 1.19 -1.32 0.00 0.00 178.16 176.62 1de2 n PHE 86 N -3.85 0.05 -0.55 -3.82 3.72 -0.26 -5.11 117.46 107.64 1de2 n PHE 86 Ca -0.02 0.02 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 1de2 n PHE 86 Cb 0.35 -0.41 0.00 0.00 -0.94 0.00 0.00 39.48 38.48 1de2 n PHE 86 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34