#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1de2 n PHE 2 N 0.00 -1.40 -3.63 1.12 3.01 -0.93 -4.21 117.46 111.43 1de2 n PHE 2 Ca 0.00 0.23 -0.18 0.00 1.01 0.00 0.00 57.45 58.51 1de2 n PHE 2 Cb 0.00 -1.53 -0.15 0.00 -0.01 0.00 0.00 39.48 37.79 1de2 n PHE 2 CO 0.00 0.00 0.00 0.15 1.01 0.00 0.00 176.76 177.92 1de2 s LYS 3 N -3.20 0.06 0.00 -1.08 3.01 -0.72 -1.15 119.74 116.65 1de2 s LYS 3 Ca 0.53 0.44 0.02 0.00 -1.01 0.00 0.00 55.97 55.95 1de2 s LYS 3 Cb -0.08 -0.57 -0.04 0.00 -1.01 0.00 0.00 37.83 36.13 1de2 s LYS 3 CO 0.66 -0.40 -0.02 0.08 0.51 0.00 0.00 175.35 176.18 1de2 s VAL 4 N 2.28 3.99 -0.33 3.17 1.01 -0.64 0.15 120.40 130.02 1de2 s VAL 4 Ca 0.04 -0.67 0.02 0.00 0.00 0.00 0.00 61.98 61.37 1de2 s VAL 4 Cb -0.13 -2.77 0.10 0.00 0.00 0.00 0.00 36.38 33.58 1de2 s VAL 4 CO -0.07 0.38 0.07 -0.31 0.00 0.00 0.00 175.10 175.17 1de2 s TYR 5 N -1.06 2.83 0.00 5.22 1.51 0.46 0.12 117.35 126.42 1de2 s TYR 5 Ca 0.19 -2.43 0.00 0.00 -1.01 0.00 0.00 57.07 53.82 1de2 s TYR 5 Cb -0.11 -2.37 0.00 0.00 -0.11 0.00 0.00 41.96 39.36 1de2 s TYR 5 CO 0.09 -0.92 0.00 0.41 -1.11 0.00 0.00 175.55 174.03 1de2 n GLY 6 N 4.52 3.49 3.61 0.71 0.00 0.24 0.86 105.19 118.62 1de2 n GLY 6 Ca 0.01 -0.09 -0.24 0.00 0.00 0.00 0.00 46.02 45.70 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 0.27 2.64 0.00 1.61 2.02 -1.26 -2.66 117.35 119.96 1de2 s TYR 7 Ca 0.00 -0.24 0.00 0.00 -0.37 0.00 0.00 57.07 56.46 1de2 s TYR 7 Cb 0.00 -1.18 0.00 0.00 -0.40 0.00 0.00 41.96 40.38 1de2 s TYR 7 CO 0.00 0.62 0.00 -3.47 -1.57 0.00 0.00 175.55 171.13 1de2 n ASP 8 N -0.75 0.00 0.00 2.29 2.03 -1.26 -4.94 116.55 113.91 1de2 n ASP 8 Ca -0.07 0.24 0.00 0.00 0.52 0.00 0.00 54.79 55.48 1de2 n ASP 8 Cb 0.59 -0.32 0.00 0.00 -0.72 0.00 0.00 41.12 40.67 1de2 n ASP 8 CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74 1de2 n SER 9 N -1.61 0.00 0.12 1.67 3.41 -1.23 -4.82 113.62 111.16 1de2 n SER 9 Ca 0.00 0.00 0.06 0.00 -0.26 0.00 0.00 58.87 58.67 1de2 n SER 9 Cb 0.00 0.00 0.02 0.00 -0.26 0.00 0.00 64.21 63.97 1de2 n SER 9 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 175.04 173.75 1de2 h ASN 10 N 0.00 0.00 0.06 4.04 -1.24 -1.99 -3.37 115.58 113.08 1de2 h ASN 10 Ca 0.00 0.00 -0.33 0.00 0.71 0.00 0.00 56.30 56.68 1de2 h ASN 10 Cb 0.00 0.00 -0.03 0.00 0.73 0.00 0.00 38.32 39.02 1de2 h ASN 10 CO 0.00 0.32 -1.83 -0.38 -1.29 0.00 0.00 177.43 174.24 1de2 n ILE 11 N -2.98 1.66 -3.75 2.57 -0.00 -1.26 -4.98 119.36 110.62 1de2 n ILE 11 Ca -0.01 -0.41 -0.13 0.00 -0.00 0.00 0.00 62.75 62.19 1de2 n ILE 11 Cb 0.68 -1.82 -0.10 0.00 -0.00 0.00 0.00 39.64 38.40 1de2 n ILE 11 CO 0.00 0.00 0.00 -2.28 -0.00 0.00 0.00 176.55 174.27 1de2 s HIS 12 N -2.49 -0.40 0.54 1.39 2.46 -1.26 -4.88 115.29 110.66 1de2 s HIS 12 Ca -0.27 0.98 -0.22 0.00 0.47 0.00 0.00 55.06 56.02 1de2 s HIS 12 Cb 0.07 0.14 -0.05 0.00 -0.13 0.00 0.00 32.58 32.61 1de2 s HIS 12 CO 0.67 -0.19 1.37 0.36 -2.47 0.00 0.00 174.74 174.48 1de2 n LYS 13 N 2.91 1.74 -3.21 2.88 2.85 -1.26 -3.53 118.16 120.54 1de2 n LYS 13 Ca -0.13 0.64 0.04 0.00 -1.05 0.00 0.00 58.31 57.81 1de2 n LYS 13 Cb 0.57 -2.59 -0.02 0.00 -0.65 0.00 0.00 35.03 32.35 1de2 n LYS 13 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1de2 n VAL 15 N 5.38 1.62 0.24 0.00 0.24 -1.26 -4.06 118.33 120.48 1de2 n VAL 15 Ca -0.06 -0.79 0.09 0.00 -2.04 0.00 0.00 64.34 61.54 1de2 n VAL 15 Cb 0.52 -1.07 0.59 0.00 -1.47 0.00 0.00 33.84 32.41 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 0.01 0.00 0.17 6.34 0.05 -1.99 -3.00 116.97 118.55 1de2 h TYR 16 Ca -0.31 0.00 0.01 0.00 0.05 0.00 0.00 58.73 58.48 1de2 h TYR 16 Cb 2.02 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 39.74 1de2 h TYR 16 CO 0.01 0.18 -0.22 0.00 -1.05 0.00 0.00 178.16 177.08 1de2 h ASP 18 N -0.44 0.54 0.32 0.00 1.82 -1.74 0.13 116.42 117.05 1de2 h ASP 18 Ca 0.01 0.02 -0.02 0.00 -0.39 0.00 0.00 57.03 56.66 1de2 h ASP 18 Cb 0.44 -0.09 0.00 0.00 0.68 0.00 0.00 39.33 40.36 1de2 h ASP 18 CO -0.08 0.30 -0.16 0.78 -1.61 0.00 0.00 179.24 178.47 1de2 h ASN 19 N 0.58 -0.37 -0.91 2.28 2.35 -1.35 -2.88 115.58 115.29 1de2 h ASN 19 Ca 0.37 -0.05 0.14 0.00 -0.55 0.00 0.00 56.30 56.21 1de2 h ASN 19 Cb 0.64 0.10 -0.07 0.00 0.05 0.00 0.00 38.32 39.03 1de2 h ASN 19 CO -0.14 0.09 0.58 0.00 -1.65 0.00 0.00 177.43 176.32 1de2 h ALA 20 N -0.98 1.78 0.40 -0.83 0.00 -0.30 0.13 119.26 119.45 1de2 h ALA 20 Ca -0.04 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 1de2 h ALA 20 Cb 0.40 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1de2 h ALA 20 CO 0.07 -0.02 -0.21 0.87 0.00 0.00 0.00 179.25 179.96 1de2 h LYS 21 N 0.74 -0.55 0.00 0.00 1.57 -0.82 -2.49 116.57 115.03 1de2 h LYS 21 Ca 0.46 0.04 -0.06 0.00 -1.87 0.00 0.00 60.65 59.22 1de2 h LYS 21 Cb 0.68 0.12 -0.01 0.00 0.08 0.00 0.00 32.23 33.11 1de2 h LYS 21 CO -0.22 -0.37 -0.28 -0.09 -0.57 0.00 0.00 179.45 177.92 1de2 h ARG 22 N -0.57 0.00 0.00 3.15 9.65 -1.15 -2.76 114.38 122.70 1de2 h ARG 22 Ca -0.05 0.00 0.03 0.00 -1.10 0.00 0.00 59.98 58.86 1de2 h ARG 22 Cb 0.45 0.00 -0.04 0.00 -1.39 0.00 0.00 29.97 28.99 1de2 h ARG 22 CO 0.07 0.28 -0.23 1.25 2.80 0.00 0.00 179.97 184.14 1de2 h LEU 23 N 0.00 -0.69 -0.63 3.80 6.46 -0.33 0.50 115.31 124.41 1de2 h LEU 23 Ca -0.00 0.10 -0.07 0.00 -0.12 0.00 0.00 57.88 57.78 1de2 h LEU 23 Cb 0.53 0.28 -0.02 0.00 -0.73 0.00 0.00 40.66 40.72 1de2 h LEU 23 CO 0.04 -0.30 0.10 -0.07 -0.62 0.00 0.00 178.44 177.58 1de2 h LEU 24 N -0.37 1.00 -1.45 2.25 3.38 -1.38 -1.79 115.31 116.95 1de2 h LEU 24 Ca 0.06 -0.26 -0.02 0.00 0.09 0.00 0.00 57.88 57.75 1de2 h LEU 24 Cb 0.45 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 1de2 h LEU 24 CO -0.21 1.01 0.14 0.74 0.09 0.00 0.00 178.44 180.21 1de2 h THR 25 N 0.95 1.14 0.00 0.22 2.02 -1.13 -1.33 112.91 114.79 1de2 h THR 25 Ca 0.19 -0.45 -0.13 0.00 0.77 0.00 0.00 66.41 66.79 1de2 h THR 25 Cb 0.43 0.72 -0.02 0.00 -1.74 0.00 0.00 68.15 67.55 1de2 h THR 25 CO 0.01 0.17 -0.60 0.58 0.37 0.00 0.00 175.52 176.05 1de2 h VAL 26 N 0.51 1.28 0.00 3.16 2.07 0.45 -2.97 116.25 120.75 1de2 h VAL 26 Ca 0.13 -2.17 0.00 0.00 0.82 0.00 0.00 66.70 65.48 1de2 h VAL 26 Cb 0.12 2.22 0.00 0.00 -1.52 0.00 0.00 31.29 32.10 1de2 h VAL 26 CO -0.01 0.59 -0.22 0.29 0.02 0.00 0.00 177.57 178.24 1de2 n LYS 27 N -3.61 0.15 -2.15 1.57 4.01 -0.60 -4.96 118.16 112.56 1de2 n LYS 27 Ca -0.00 0.09 -0.04 0.00 -0.51 0.00 0.00 58.31 57.84 1de2 n LYS 27 Cb 0.65 -1.64 0.02 0.00 -0.51 0.00 0.00 35.03 33.55 1de2 n LYS 27 CO 0.00 0.00 0.00 1.17 -1.11 0.00 0.00 177.40 177.46 1de2 n LYS 28 N -1.87 -1.11 -3.86 1.97 3.00 -0.61 -5.08 118.16 110.59 1de2 n LYS 28 Ca 0.05 0.24 -0.12 0.00 -0.00 0.00 0.00 58.31 58.49 1de2 n LYS 28 Cb 0.39 -2.99 -0.13 0.00 0.00 0.00 0.00 35.03 32.30 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 -3.78 0.16 0.41 1.64 -1.52 -1.05 -5.06 119.66 110.46 1de2 s GLN 29 Ca 0.08 -0.04 -0.22 0.00 -1.95 0.00 0.00 55.36 53.22 1de2 s GLN 29 Cb -0.01 0.07 -0.10 0.00 -0.22 0.00 0.00 33.01 32.75 1de2 s GLN 29 CO 0.20 -0.03 0.97 -1.25 -0.25 0.00 0.00 175.29 174.93 1de2 s PRO 30 N -0.31 4.25 0.27 2.91 0.04 -1.26 -4.46 135.00 136.45 1de2 s PRO 30 Ca -0.04 1.22 -0.17 0.00 0.04 0.00 0.00 61.00 62.05 1de2 s PRO 30 Cb -0.03 -2.33 0.01 0.00 0.04 0.00 0.00 34.50 32.20 1de2 s PRO 30 CO 0.00 -0.02 0.63 -0.59 0.04 0.00 0.00 177.00 177.06 1de2 s PHE 31 N -2.00 0.06 -0.03 0.56 -0.12 -1.26 -2.18 117.98 113.00 1de2 s PHE 31 Ca 0.60 -0.49 -0.02 0.00 -0.05 0.00 0.00 56.93 56.97 1de2 s PHE 31 Cb -0.13 0.51 0.02 0.00 -0.63 0.00 0.00 43.02 42.79 1de2 s PHE 31 CO 0.17 -1.17 0.07 -2.00 -0.05 0.00 0.00 175.22 172.25 1de2 s GLU 32 N -3.85 0.05 0.47 1.99 2.12 -0.30 -4.81 118.70 114.36 1de2 s GLU 32 Ca 0.16 0.18 -0.03 0.00 0.36 0.00 0.00 54.97 55.64 1de2 s GLU 32 Cb -0.04 -0.09 -0.02 0.00 0.26 0.00 0.00 34.13 34.24 1de2 s GLU 32 CO 0.08 -0.09 0.74 0.12 -0.54 0.00 0.00 175.26 175.57 1de2 s PHE 33 N 0.59 3.41 -0.13 5.30 5.36 -1.26 -1.63 117.98 129.62 1de2 s PHE 33 Ca -0.05 0.57 -0.05 0.00 -0.96 0.00 0.00 56.93 56.44 1de2 s PHE 33 Cb -0.06 -2.32 0.06 0.00 -0.34 0.00 0.00 43.02 40.36 1de2 s PHE 33 CO -0.02 -0.34 0.27 0.42 -1.46 0.00 0.00 175.22 174.09 1de2 s ILE 34 N -2.68 -0.38 -0.18 3.12 1.01 0.31 -4.78 121.20 117.64 1de2 s ILE 34 Ca 0.48 0.26 -0.10 0.00 0.00 0.00 0.00 60.65 61.28 1de2 s ILE 34 Cb -0.10 -0.45 -0.05 0.00 0.01 0.00 0.00 42.46 41.87 1de2 s ILE 34 CO 0.42 0.11 0.15 0.54 0.00 0.00 0.00 174.94 176.16 1de2 s ASN 35 N 2.27 6.27 0.00 3.58 4.22 -1.26 -0.59 114.94 129.43 1de2 s ASN 35 Ca -0.00 0.31 0.21 0.00 -2.14 0.00 0.00 52.86 51.24 1de2 s ASN 35 Cb -0.12 -2.10 0.53 0.00 1.28 0.00 0.00 41.25 40.84 1de2 s ASN 35 CO -0.09 0.21 1.45 2.30 -2.04 0.00 0.00 177.10 178.93 1de2 n ILE 36 N 3.25 0.60 -3.18 0.54 -6.64 -1.09 -4.52 119.36 108.34 1de2 n ILE 36 Ca -0.16 -0.72 -0.23 0.00 -1.77 0.00 0.00 62.75 59.86 1de2 n ILE 36 Cb 0.52 0.63 -0.06 0.00 -1.44 0.00 0.00 39.64 39.30 1de2 n ILE 36 CO 0.00 0.00 0.00 0.80 -1.77 0.00 0.00 176.55 175.58 1de2 n MET 37 N 1.24 0.73 -0.72 6.28 0.00 -1.26 -0.42 117.12 122.96 1de2 n MET 37 Ca 0.19 -3.18 -0.06 0.00 0.00 0.00 0.00 57.70 54.65 1de2 n MET 37 Cb 0.53 -1.25 -0.06 0.00 0.00 0.00 0.00 33.22 32.45 1de2 n MET 37 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 175.97 173.67 1de2 n PRO 38 N 1.35 1.43 -4.13 2.12 -0.02 -1.26 -4.83 135.00 129.66 1de2 n PRO 38 Ca 0.21 -0.51 -0.11 0.00 -2.02 0.00 0.00 63.50 61.07 1de2 n PRO 38 Cb 0.54 -1.41 -0.08 0.00 -0.02 0.00 0.00 33.50 32.53 1de2 n PRO 38 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 1de2 s GLU 39 N 0.16 1.34 0.00 -0.52 2.56 -1.26 -5.02 118.70 115.97 1de2 s GLU 39 Ca 0.26 -1.51 0.10 0.00 0.00 0.00 0.00 54.97 53.81 1de2 s GLU 39 Cb 0.13 0.34 0.45 0.00 2.00 0.00 0.00 34.13 37.05 1de2 s GLU 39 CO -0.01 -0.49 1.24 1.17 -0.56 0.00 0.00 175.26 176.61 1de2 n LYS 40 N -0.32 0.07 0.00 4.30 3.00 -1.26 -4.25 118.16 119.70 1de2 n LYS 40 Ca 0.01 0.26 0.00 0.00 -0.00 0.00 0.00 58.31 58.58 1de2 n LYS 40 Cb 0.64 -1.50 0.00 0.00 0.00 0.00 0.00 35.03 34.17 1de2 n LYS 40 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1de2 n GLY 41 N -0.50 0.00 3.18 3.14 0.00 -1.26 -5.04 105.19 104.72 1de2 n GLY 41 Ca 0.04 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.95 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 0.00 -0.57 0.28 1.61 1.01 -1.26 -5.14 120.40 116.33 1de2 s VAL 42 Ca 0.00 0.20 -0.30 0.00 0.00 0.00 0.00 61.98 61.89 1de2 s VAL 42 Cb 0.00 -0.59 -0.10 0.00 0.00 0.00 0.00 36.38 35.68 1de2 s VAL 42 CO 0.00 0.08 1.40 -0.36 0.00 0.00 0.00 175.10 176.23 1de2 s PHE 43 N 2.53 3.01 -0.36 5.22 0.08 -1.26 -4.13 117.98 123.06 1de2 s PHE 43 Ca -0.01 1.14 -0.15 0.00 0.12 0.00 0.00 56.93 58.03 1de2 s PHE 43 Cb -0.12 -3.79 -0.00 0.00 -0.57 0.00 0.00 43.02 38.54 1de2 s PHE 43 CO -0.11 -2.45 0.35 -0.51 -0.10 0.00 0.00 175.22 172.40 1de2 s ASP 44 N 0.11 6.16 0.46 1.36 1.11 0.44 -4.94 116.67 121.37 1de2 s ASP 44 Ca 0.56 -0.42 0.31 0.00 0.18 0.00 0.00 52.55 53.19 1de2 s ASP 44 Cb -0.41 -2.19 1.58 0.00 1.07 0.00 0.00 42.92 42.97 1de2 s ASP 44 CO 0.47 -0.38 1.95 -0.78 1.18 0.00 0.00 175.17 177.61 1de2 h ASP 45 N 8.54 0.00 0.66 0.27 3.58 -1.94 -2.20 116.42 125.32 1de2 h ASP 45 Ca -0.29 0.00 -0.03 0.00 0.42 0.00 0.00 57.03 57.13 1de2 h ASP 45 Cb 1.14 0.00 0.01 0.00 1.72 0.00 0.00 39.33 42.19 1de2 h ASP 45 CO 0.71 0.00 -0.32 -0.33 -2.88 0.00 0.00 179.24 176.42 1de2 h GLU 46 N 0.00 -0.85 -0.22 0.28 4.39 -1.94 0.61 114.58 116.85 1de2 h GLU 46 Ca 0.00 0.06 -0.20 0.00 0.34 0.00 0.00 59.36 59.56 1de2 h GLU 46 Cb 0.15 0.19 0.00 0.00 -0.10 0.00 0.00 28.75 28.99 1de2 h GLU 46 CO 0.00 -0.54 -0.64 0.87 -1.16 0.00 0.00 179.01 177.55 1de2 h LYS 47 N -1.00 0.80 -0.15 2.33 1.79 -1.85 -2.35 116.57 116.14 1de2 h LYS 47 Ca -0.09 -0.56 0.00 0.00 -2.18 0.00 0.00 60.65 57.82 1de2 h LYS 47 Cb 0.71 0.09 -0.01 0.00 -1.58 0.00 0.00 32.23 31.44 1de2 h LYS 47 CO 0.15 1.18 0.10 0.82 -1.08 0.00 0.00 179.45 180.61 1de2 h ILE 48 N 0.59 1.06 -0.81 1.86 2.04 -1.40 0.98 117.51 121.83 1de2 h ILE 48 Ca -0.01 -0.13 -0.01 0.00 1.00 0.00 0.00 64.86 65.71 1de2 h ILE 48 Cb 1.25 0.87 -0.04 0.00 -0.74 0.00 0.00 36.82 38.16 1de2 h ILE 48 CO 0.13 0.05 0.46 0.00 0.00 0.00 0.00 178.15 178.80 1de2 h ALA 49 N 1.03 1.03 -0.58 1.87 0.00 0.23 -2.05 119.26 120.80 1de2 h ALA 49 Ca 0.05 -0.11 -0.06 0.00 0.00 0.00 0.00 54.91 54.80 1de2 h ALA 49 Cb 0.00 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 17.44 1de2 h ALA 49 CO -0.01 0.53 0.13 1.49 0.00 0.00 0.00 179.25 181.39 1de2 h GLU 50 N 1.12 0.90 0.15 0.00 4.81 -1.04 -2.62 114.58 117.90 1de2 h GLU 50 Ca 0.29 -0.19 -0.00 0.00 -0.13 0.00 0.00 59.36 59.32 1de2 h GLU 50 Cb 0.00 -0.13 -0.00 0.00 0.63 0.00 0.00 28.75 29.25 1de2 h GLU 50 CO -0.05 0.81 -0.10 1.25 -0.73 0.00 0.00 179.01 180.19 1de2 h LEU 51 N 0.86 -0.25 -0.49 1.64 5.85 -0.13 0.11 115.31 122.89 1de2 h LEU 51 Ca 0.19 0.02 0.08 0.00 0.84 0.00 0.00 57.88 59.01 1de2 h LEU 51 Cb 0.32 0.08 -0.07 0.00 0.37 0.00 0.00 40.66 41.36 1de2 h LEU 51 CO 0.00 -0.16 0.10 -0.07 -0.34 0.00 0.00 178.44 177.97 1de2 h LEU 52 N -0.25 0.00 -1.54 2.25 3.38 -1.27 0.62 115.31 118.50 1de2 h LEU 52 Ca -0.01 0.09 -0.03 0.00 0.09 0.00 0.00 57.88 58.02 1de2 h LEU 52 Cb 0.22 0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 1de2 h LEU 52 CO 0.01 0.03 -0.01 0.74 0.09 0.00 0.00 178.44 179.29 1de2 h THR 53 N 0.24 1.13 -0.26 0.22 2.02 -1.20 -1.88 112.91 113.18 1de2 h THR 53 Ca 0.25 -0.52 -0.10 0.00 0.77 0.00 0.00 66.41 66.80 1de2 h THR 53 Cb 0.33 1.01 -0.01 0.00 -1.74 0.00 0.00 68.15 67.73 1de2 h THR 53 CO -0.32 0.17 -0.27 0.11 0.37 0.00 0.00 175.52 175.58 1de2 h LYS 54 N 0.27 0.51 -0.93 6.66 1.79 0.11 -2.80 116.57 122.19 1de2 h LYS 54 Ca 0.06 -0.20 0.01 0.00 -2.18 0.00 0.00 60.65 58.34 1de2 h LYS 54 Cb 0.21 -0.02 -0.05 0.00 -1.58 0.00 0.00 32.23 30.79 1de2 h LYS 54 CO 0.01 0.74 0.61 -0.07 -1.08 0.00 0.00 179.45 179.66 1de2 h LEU 55 N 0.45 1.05 0.00 2.94 3.38 -0.37 -3.44 115.31 119.32 1de2 h LEU 55 Ca 0.06 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1de2 h LEU 55 Cb 0.71 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 41.20 1de2 h LEU 55 CO 0.05 0.76 0.00 0.61 0.09 0.00 0.00 178.44 179.95 1de2 n GLY 56 N -1.39 -0.52 1.46 0.83 0.00 -1.06 -4.90 105.19 99.61 1de2 n GLY 56 Ca 0.11 0.16 -0.02 0.00 0.00 0.00 0.00 46.02 46.27 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 0.23 0.00 1.61 1.85 -1.26 -4.69 116.66 114.39 1de2 n ARG 57 Ca 0.00 -1.61 0.00 0.00 -1.00 0.00 0.00 57.85 55.24 1de2 n ARG 57 Cb 0.00 0.14 0.00 0.00 -1.05 0.00 0.00 32.46 31.55 1de2 n ARG 57 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 1de2 n ASP 58 N 0.05 0.00 -4.62 2.89 8.00 -1.26 -5.16 116.55 116.44 1de2 n ASP 58 Ca -0.11 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 2.50 1.95 -0.76 -3.53 -1.32 -1.26 -4.96 115.64 108.26 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 -2.97 0.05 0.00 -1.51 0.00 0.00 72.50 68.07 1de2 s THR 59 CO 0.00 0.00 1.19 0.00 -2.21 0.00 0.00 174.62 173.60 1de2 s GLN 60 N -3.72 3.23 -1.18 7.08 -2.07 -1.26 -4.94 119.66 116.80 1de2 s GLN 60 Ca 0.34 -0.62 -0.20 0.00 -1.82 0.00 0.00 55.36 53.06 1de2 s GLN 60 Cb 0.10 -4.38 0.06 0.00 -1.09 0.00 0.00 33.01 27.70 1de2 s GLN 60 CO 0.17 -2.03 1.61 0.42 -1.32 0.00 0.00 175.29 174.15 1de2 s ILE 61 N 4.94 4.05 -1.75 3.63 1.01 -1.26 -4.17 121.20 127.65 1de2 s ILE 61 Ca 0.32 -1.45 0.00 0.00 0.00 0.00 0.00 60.65 59.52 1de2 s ILE 61 Cb -0.10 -5.14 0.00 0.00 0.01 0.00 0.00 42.46 37.24 1de2 s ILE 61 CO 0.09 -1.98 0.00 0.61 0.00 0.00 0.00 174.94 173.66 1de2 n GLY 62 N 6.00 0.64 3.74 6.18 0.00 -1.26 -4.91 105.19 115.58 1de2 n GLY 62 Ca 0.42 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 46.04 1de2 n GLY 62 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1de2 n LEU 63 N -2.57 4.78 -4.51 0.99 -0.00 -1.26 -5.02 117.00 109.42 1de2 n LEU 63 Ca -0.20 1.10 -0.24 0.00 -0.00 0.00 0.00 56.01 56.67 1de2 n LEU 63 Cb 0.63 -1.56 -0.11 0.00 -0.00 0.00 0.00 43.42 42.38 1de2 n LEU 63 CO 0.26 -0.39 -0.31 0.42 -0.00 0.00 0.00 177.39 177.37 1de2 s THR 64 N -1.21 1.67 0.17 1.96 -4.23 -1.26 -5.12 115.64 107.62 1de2 s THR 64 Ca 0.62 -2.05 0.07 0.00 -1.18 0.00 0.00 61.69 59.15 1de2 s THR 64 Cb -0.46 -2.76 -0.04 0.00 1.34 0.00 0.00 72.50 70.58 1de2 s THR 64 CO 0.57 -0.10 0.00 -0.04 -0.54 0.00 0.00 174.62 174.51 1de2 s MET 65 N -3.76 2.42 0.26 3.99 -1.94 -1.26 -3.87 119.30 115.13 1de2 s MET 65 Ca 0.34 -1.10 -0.29 0.00 -1.71 0.00 0.00 55.69 52.93 1de2 s MET 65 Cb 0.07 -2.37 -0.09 0.00 2.01 0.00 0.00 34.83 34.45 1de2 s MET 65 CO 0.15 0.46 0.96 -2.14 -0.01 0.00 0.00 175.02 174.44 1de2 s PRO 66 N -2.93 4.79 -0.35 2.03 0.02 -1.26 -5.01 135.00 132.28 1de2 s PRO 66 Ca 0.27 1.51 -0.15 0.00 0.02 0.00 0.00 61.00 62.65 1de2 s PRO 66 Cb -0.09 -3.20 -0.01 0.00 0.02 0.00 0.00 34.50 31.22 1de2 s PRO 66 CO 0.19 0.44 0.37 -0.65 -0.33 0.00 0.00 177.00 177.02 1de2 s GLN 67 N -1.34 3.51 0.33 5.54 -0.21 0.25 -3.81 119.66 123.92 1de2 s GLN 67 Ca 0.43 -0.45 0.02 0.00 0.02 0.00 0.00 55.36 55.38 1de2 s GLN 67 Cb -0.26 -3.82 -0.03 0.00 1.00 0.00 0.00 33.01 29.90 1de2 s GLN 67 CO 0.32 -0.57 0.51 0.08 -2.12 0.00 0.00 175.29 173.51 1de2 s VAL 68 N 2.04 5.08 0.03 1.09 1.01 0.35 0.17 120.40 130.17 1de2 s VAL 68 Ca 0.12 -0.59 -0.04 0.00 0.00 0.00 0.00 61.98 61.47 1de2 s VAL 68 Cb -0.17 -3.84 -0.02 0.00 0.00 0.00 0.00 36.38 32.36 1de2 s VAL 68 CO 0.12 -0.49 0.05 -0.36 0.00 0.00 0.00 175.10 174.42 1de2 s PHE 69 N -2.25 0.23 0.56 5.22 0.40 0.39 -2.96 117.98 119.58 1de2 s PHE 69 Ca 0.39 -0.52 -0.21 0.00 -0.60 0.00 0.00 56.93 55.99 1de2 s PHE 69 Cb -0.09 -0.17 -0.04 0.00 0.51 0.00 0.00 43.02 43.22 1de2 s PHE 69 CO 0.34 -0.31 1.32 0.00 0.70 0.00 0.00 175.22 177.28 1de2 s ALA 70 N -2.28 2.73 0.61 5.36 0.00 0.25 -1.76 121.76 126.67 1de2 s ALA 70 Ca -0.08 1.26 0.30 0.00 0.00 0.00 0.00 51.96 53.44 1de2 s ALA 70 Cb -0.03 -3.54 1.67 0.00 0.00 0.00 0.00 23.12 21.22 1de2 s ALA 70 CO -0.03 -1.35 2.03 -1.35 0.00 0.00 0.00 175.76 175.06 1de2 h PRO 71 N 1.28 0.00 0.00 0.00 0.11 -1.90 -1.49 132.00 130.00 1de2 h PRO 71 Ca -0.51 0.00 -0.33 0.00 0.11 0.00 0.00 66.00 65.28 1de2 h PRO 71 Cb 1.30 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 32.35 1de2 h PRO 71 CO 0.56 0.00 -2.28 -0.40 -0.21 0.00 0.00 178.00 175.67 1de2 n ASP 72 N -3.51 0.08 0.00 -2.05 5.75 -1.26 -3.40 116.55 112.17 1de2 n ASP 72 Ca 0.02 0.04 0.00 0.00 -0.01 0.00 0.00 54.79 54.84 1de2 n ASP 72 Cb 0.40 0.99 0.00 0.00 -1.03 0.00 0.00 41.12 41.48 1de2 n ASP 72 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1de2 n GLY 73 N 1.68 1.73 0.00 6.12 0.00 -0.56 -5.12 105.19 109.04 1de2 n GLY 73 Ca -0.29 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.43 1de2 n GLY 73 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1de2 n SER 74 N 0.00 0.00 -4.68 1.61 7.64 -1.26 -4.84 113.62 112.09 1de2 n SER 74 Ca 0.00 0.00 -0.39 0.00 1.01 0.00 0.00 58.87 59.49 1de2 n SER 74 Cb 0.00 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.14 1de2 n SER 74 CO 0.00 0.00 0.00 -2.28 -3.01 0.00 0.00 175.04 169.75 1de2 s HIS 75 N -2.00 3.42 -0.02 1.43 2.46 -1.26 0.87 115.29 120.18 1de2 s HIS 75 Ca 0.00 0.90 0.03 0.00 0.47 0.00 0.00 55.06 56.46 1de2 s HIS 75 Cb 0.00 -2.71 -0.04 0.00 -0.13 0.00 0.00 32.58 29.70 1de2 s HIS 75 CO 0.00 -0.06 0.03 -0.89 -2.47 0.00 0.00 174.74 171.35 1de2 n ILE 76 N 4.37 0.15 0.00 0.89 -0.00 -1.15 -4.87 119.36 118.74 1de2 n ILE 76 Ca -0.03 -0.11 0.00 0.00 -0.00 0.00 0.00 62.75 62.60 1de2 n ILE 76 Cb 0.50 -0.55 0.00 0.00 -0.00 0.00 0.00 39.64 39.59 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 2.68 0.49 0.00 7.39 0.00 -1.21 -4.13 105.19 110.40 1de2 n GLY 77 Ca -0.04 -2.23 0.00 0.00 0.00 0.00 0.00 46.02 43.75 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 1.83 0.00 -0.02 0.00 -1.25 0.13 105.19 105.89 1de2 n GLY 78 Ca 0.00 -1.73 0.00 0.00 0.00 0.00 0.00 46.02 44.29 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 0.00 1.61 7.35 -1.26 -1.28 117.46 123.89 1de2 n PHE 79 Ca 0.00 0.00 -0.10 0.00 -0.76 0.00 0.00 57.45 56.59 1de2 n PHE 79 Cb 0.00 -0.47 -0.05 0.00 0.35 0.00 0.00 39.48 39.31 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 -0.08 -0.83 -2.13 3.58 -1.98 0.36 116.42 115.34 1de2 h ASP 80 Ca 0.00 0.03 0.16 0.00 0.42 0.00 0.00 57.03 57.64 1de2 h ASP 80 Cb 0.00 0.06 -0.10 0.00 1.72 0.00 0.00 39.33 41.01 1de2 h ASP 80 CO 0.00 -0.03 0.39 -0.61 -2.88 0.00 0.00 179.24 176.11 1de2 h GLN 81 N 0.00 0.51 -0.03 0.28 4.15 -1.89 0.43 115.11 118.56 1de2 h GLN 81 Ca 0.04 -0.03 -0.19 0.00 0.77 0.00 0.00 58.65 59.24 1de2 h GLN 81 Cb 0.07 -0.11 -0.01 0.00 0.21 0.00 0.00 27.48 27.63 1de2 h GLN 81 CO -0.09 0.34 -0.81 1.25 -1.93 0.00 0.00 178.83 177.58 1de2 h LEU 82 N 0.52 0.38 -1.97 -2.39 6.46 -0.57 -3.00 115.31 114.74 1de2 h LEU 82 Ca 0.47 -0.28 0.20 0.00 -0.12 0.00 0.00 57.88 58.15 1de2 h LEU 82 Cb 0.73 -0.12 -0.03 0.00 -0.73 0.00 0.00 40.66 40.52 1de2 h LEU 82 CO -0.41 1.04 0.56 -0.09 -0.62 0.00 0.00 178.44 178.93 1de2 h ARG 83 N 0.19 0.00 -0.10 1.25 2.43 0.20 1.56 114.38 119.91 1de2 h ARG 83 Ca -0.04 0.00 -0.12 0.00 -0.81 0.00 0.00 59.98 59.00 1de2 h ARG 83 Cb 1.41 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.95 1de2 h ARG 83 CO 0.13 0.00 -0.49 1.49 -1.51 0.00 0.00 179.97 179.60 1de2 h GLU 84 N 0.00 0.25 -0.11 0.20 4.57 -1.32 1.48 114.58 119.65 1de2 h GLU 84 Ca 0.33 -0.14 -0.09 0.00 -1.18 0.00 0.00 59.36 58.29 1de2 h GLU 84 Cb 1.46 0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 30.04 1de2 h GLU 84 CO -0.00 0.68 -0.32 -0.92 -1.18 0.00 0.00 179.01 177.26 1de2 h TYR 85 N 0.20 0.24 0.00 0.92 5.03 0.21 -3.37 116.97 120.20 1de2 h TYR 85 Ca 0.01 -0.05 0.00 0.00 2.58 0.00 0.00 58.73 61.27 1de2 h TYR 85 Cb 0.93 -0.06 0.00 0.00 1.55 0.00 0.00 36.73 39.15 1de2 h TYR 85 CO 0.02 0.52 0.00 1.19 -1.32 0.00 0.00 178.16 178.56 1de2 n PHE 86 N -4.10 0.00 0.79 -3.82 3.72 -0.71 -5.14 117.46 108.20 1de2 n PHE 86 Ca -0.01 0.00 0.06 0.00 -0.05 0.00 0.00 57.45 57.45 1de2 n PHE 86 Cb 0.41 -0.08 0.37 0.00 -0.94 0.00 0.00 39.48 39.25 1de2 n PHE 86 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34