#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 -0.08 -4.00 1.12 3.01 -0.90 -4.24 117.46 112.37 1de2 n PHE 2 Ca 0.00 0.39 -0.28 0.00 1.01 0.00 0.00 57.45 58.56 1de2 n PHE 2 Cb 0.00 -2.01 -0.17 0.00 -0.01 0.00 0.00 39.48 37.30 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 -2.86 1.93 -0.08 -1.08 3.01 -0.77 0.81 119.74 120.70 1de2 s LYS 3 Ca 0.70 -0.42 0.01 0.00 -1.01 0.00 0.00 55.97 55.25 1de2 s LYS 3 Cb -0.37 -1.85 -0.03 0.00 -1.01 0.00 0.00 37.83 34.58 1de2 s LYS 3 CO 0.53 -0.24 -0.08 0.08 0.51 0.00 0.00 175.35 176.16 1de2 s VAL 4 N 1.55 3.60 -0.41 3.17 1.01 -0.61 0.12 120.40 128.82 1de2 s VAL 4 Ca 0.04 -0.51 -0.01 0.00 0.00 0.00 0.00 61.98 61.50 1de2 s VAL 4 Cb -0.13 -2.48 0.11 0.00 0.00 0.00 0.00 36.38 33.88 1de2 s VAL 4 CO -0.09 0.58 0.19 -0.31 0.00 0.00 0.00 175.10 175.47 1de2 s TYR 5 N -0.57 3.60 0.00 5.22 1.51 0.41 0.16 117.35 127.69 1de2 s TYR 5 Ca 0.08 -2.59 0.00 0.00 -1.01 0.00 0.00 57.07 53.56 1de2 s TYR 5 Cb -0.12 -3.15 0.00 0.00 -0.11 0.00 0.00 41.96 38.58 1de2 s TYR 5 CO 0.02 -0.95 0.00 0.41 -1.11 0.00 0.00 175.55 173.92 1de2 n GLY 6 N 4.40 3.83 3.41 0.71 0.00 0.11 -0.83 105.19 116.82 1de2 n GLY 6 Ca 0.00 -0.20 -0.29 0.00 0.00 0.00 0.00 46.02 45.53 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 0.41 2.38 -2.00 1.61 1.51 -1.26 -2.51 117.35 117.48 1de2 s TYR 7 Ca 0.00 -0.35 0.09 0.00 -1.01 0.00 0.00 57.07 55.79 1de2 s TYR 7 Cb 0.00 -1.32 0.51 0.00 -0.11 0.00 0.00 41.96 41.04 1de2 s TYR 7 CO 0.00 0.30 1.26 -3.47 -1.11 0.00 0.00 175.55 172.53 1de2 n ASP 8 N 1.12 0.00 0.00 2.29 2.03 -1.26 -4.85 116.55 115.88 1de2 n ASP 8 Ca -0.17 -1.57 0.00 0.00 0.52 0.00 0.00 54.79 53.57 1de2 n ASP 8 Cb 0.53 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.93 1de2 n ASP 8 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 1de2 n SER 9 N -0.65 0.00 -0.06 1.67 7.64 -1.24 -4.80 113.62 116.19 1de2 n SER 9 Ca 0.06 0.00 -0.20 0.00 1.01 0.00 0.00 58.87 59.75 1de2 n SER 9 Cb 0.03 0.00 -0.13 0.00 -1.01 0.00 0.00 64.21 63.10 1de2 n SER 9 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1de2 h ASN 10 N 0.00 0.13 0.78 6.43 -1.07 -1.98 -3.38 115.58 116.48 1de2 h ASN 10 Ca 0.00 -0.76 0.00 0.00 0.07 0.00 0.00 56.30 55.61 1de2 h ASN 10 Cb 0.00 -0.04 0.00 0.00 -2.07 0.00 0.00 38.32 36.21 1de2 h ASN 10 CO 0.00 1.41 -0.76 0.40 0.07 0.00 0.00 177.43 178.55 1de2 h ILE 11 N -0.76 0.00 -3.63 6.14 2.04 -1.90 -3.48 117.51 115.93 1de2 h ILE 11 Ca -0.24 -0.53 -0.07 0.00 1.00 0.00 0.00 64.86 65.02 1de2 h ILE 11 Cb 1.38 1.04 -0.12 0.00 -0.74 0.00 0.00 36.82 38.38 1de2 h ILE 11 CO -0.06 0.00 -0.19 -2.28 0.00 0.00 0.00 178.15 175.62 1de2 s HIS 12 N -3.19 0.11 0.54 1.37 2.46 -1.26 -4.79 115.29 110.52 1de2 s HIS 12 Ca 0.05 -0.47 -0.11 0.00 0.47 0.00 0.00 55.06 54.99 1de2 s HIS 12 Cb 0.13 0.12 -0.05 0.00 -0.13 0.00 0.00 32.58 32.65 1de2 s HIS 12 CO 0.75 -0.74 0.94 -1.59 -2.47 0.00 0.00 174.74 171.63 1de2 s LYS 13 N -3.90 3.71 0.00 2.88 0.00 -1.26 -3.64 119.74 117.53 1de2 s LYS 13 Ca 0.10 0.67 0.00 0.00 0.00 0.00 0.00 55.97 56.75 1de2 s LYS 13 Cb 0.02 -2.19 0.00 0.00 0.00 0.00 0.00 37.83 35.66 1de2 s LYS 13 CO -0.05 -0.36 0.00 0.00 0.00 0.00 0.00 175.35 174.95 1de2 n VAL 15 N 0.00 1.47 0.24 0.00 0.24 -1.26 -4.12 118.33 114.90 1de2 n VAL 15 Ca 0.00 -0.78 0.13 0.00 -2.04 0.00 0.00 64.34 61.65 1de2 n VAL 15 Cb 0.00 -0.88 0.53 0.00 -1.47 0.00 0.00 33.84 32.02 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 0.00 0.00 -0.25 6.34 0.05 -1.97 -2.98 116.97 118.17 1de2 h TYR 16 Ca -0.29 0.00 -0.09 0.00 0.05 0.00 0.00 58.73 58.39 1de2 h TYR 16 Cb 1.94 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 39.67 1de2 h TYR 16 CO 0.00 0.12 -0.25 0.00 -1.05 0.00 0.00 178.16 176.98 1de2 h ASP 18 N 0.41 -0.52 -0.02 0.00 3.32 -1.74 -2.21 116.42 115.67 1de2 h ASP 18 Ca 0.06 -0.09 -0.00 0.00 0.02 0.00 0.00 57.03 57.02 1de2 h ASP 18 Cb 0.66 0.13 -0.00 0.00 0.22 0.00 0.00 39.33 40.35 1de2 h ASP 18 CO 0.05 -0.18 0.01 -0.55 -1.72 0.00 0.00 179.24 176.85 1de2 h ASN 19 N -0.90 0.03 -0.70 6.45 7.08 -1.61 -1.47 115.58 124.45 1de2 h ASN 19 Ca -0.06 -0.18 0.13 0.00 -3.08 0.00 0.00 56.30 53.11 1de2 h ASN 19 Cb 0.58 -0.01 -0.09 0.00 -2.08 0.00 0.00 38.32 36.72 1de2 h ASN 19 CO 0.10 0.20 0.24 0.00 -2.08 0.00 0.00 177.43 175.89 1de2 h ALA 20 N 0.83 0.94 0.03 4.14 0.00 -1.32 0.67 119.26 124.55 1de2 h ALA 20 Ca 0.01 0.12 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 1de2 h ALA 20 Cb 0.18 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.08 1de2 h ALA 20 CO -0.00 -0.24 -0.01 -0.22 0.00 0.00 0.00 179.25 178.78 1de2 h LYS 21 N 0.39 -0.04 -0.97 0.00 3.64 -1.27 -2.79 116.57 115.53 1de2 h LYS 21 Ca 0.38 0.00 0.11 0.00 -1.27 0.00 0.00 60.65 59.87 1de2 h LYS 21 Cb 0.56 0.01 -0.08 0.00 -0.41 0.00 0.00 32.23 32.31 1de2 h LYS 21 CO -0.40 0.20 0.62 -0.09 -2.27 0.00 0.00 179.45 177.51 1de2 h ARG 22 N -0.28 0.94 0.28 1.90 1.12 -0.49 -1.32 114.38 116.53 1de2 h ARG 22 Ca -0.00 -0.06 -0.00 0.00 -1.11 0.00 0.00 59.98 58.81 1de2 h ARG 22 Cb 0.26 -0.21 -0.01 0.00 -0.01 0.00 0.00 29.97 29.99 1de2 h ARG 22 CO 0.01 0.62 -0.23 1.25 -3.11 0.00 0.00 179.97 178.51 1de2 h LEU 23 N 0.97 -0.60 -0.59 3.80 6.46 -0.74 0.58 115.31 125.19 1de2 h LEU 23 Ca 0.47 0.05 0.05 0.00 -0.12 0.00 0.00 57.88 58.33 1de2 h LEU 23 Cb 0.46 0.20 -0.05 0.00 -0.73 0.00 0.00 40.66 40.54 1de2 h LEU 23 CO -0.23 -0.35 0.31 -0.07 -0.62 0.00 0.00 178.44 177.48 1de2 h LEU 24 N -0.52 0.45 -1.06 2.25 3.38 -1.14 0.85 115.31 119.52 1de2 h LEU 24 Ca -0.01 0.03 0.03 0.00 0.09 0.00 0.00 57.88 58.01 1de2 h LEU 24 Cb 0.47 -0.06 -0.05 0.00 0.09 0.00 0.00 40.66 41.11 1de2 h LEU 24 CO -0.02 0.30 0.64 0.74 0.09 0.00 0.00 178.44 180.18 1de2 h THR 25 N 0.59 1.20 0.00 0.22 2.02 -0.93 0.45 112.91 116.46 1de2 h THR 25 Ca 0.26 -0.43 -0.20 0.00 0.77 0.00 0.00 66.41 66.82 1de2 h THR 25 Cb 0.16 -0.17 -0.01 0.00 -1.74 0.00 0.00 68.15 66.40 1de2 h THR 25 CO -0.17 0.23 -0.87 0.58 0.37 0.00 0.00 175.52 175.65 1de2 h VAL 26 N 1.26 1.50 0.00 3.16 2.07 0.28 -3.03 116.25 121.48 1de2 h VAL 26 Ca 0.37 -2.63 0.00 0.00 0.82 0.00 0.00 66.70 65.26 1de2 h VAL 26 Cb -0.06 2.47 0.00 0.00 -1.52 0.00 0.00 31.29 32.18 1de2 h VAL 26 CO -0.10 0.76 0.00 1.17 0.02 0.00 0.00 177.57 179.42 1de2 n LYS 27 N -3.65 0.02 -2.58 1.57 0.00 0.28 -4.93 118.16 108.87 1de2 n LYS 27 Ca -0.03 0.08 -0.08 0.00 0.00 0.00 0.00 58.31 58.28 1de2 n LYS 27 Cb 0.81 -1.50 0.04 0.00 0.00 0.00 0.00 35.03 34.37 1de2 n LYS 27 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 1de2 n LYS 28 N -1.49 -1.34 -3.85 1.64 4.76 0.07 -5.04 118.16 112.91 1de2 n LYS 28 Ca 0.06 0.61 -0.12 0.00 -2.87 0.00 0.00 58.31 55.99 1de2 n LYS 28 Cb 0.28 -4.22 -0.14 0.00 -1.84 0.00 0.00 35.03 29.11 1de2 n LYS 28 CO 0.00 0.00 0.00 -0.65 -1.37 0.00 0.00 177.40 175.38 1de2 s GLN 29 N -3.77 0.03 0.22 1.97 -1.52 -0.84 -5.05 119.66 110.71 1de2 s GLN 29 Ca 0.25 0.06 -0.25 0.00 -1.95 0.00 0.00 55.36 53.48 1de2 s GLN 29 Cb -0.03 -0.02 -0.09 0.00 -0.22 0.00 0.00 33.01 32.65 1de2 s GLN 29 CO 0.46 -0.02 0.82 -1.25 -0.25 0.00 0.00 175.29 175.05 1de2 s PRO 30 N 0.15 4.53 0.26 2.91 0.04 -1.26 -4.52 135.00 137.11 1de2 s PRO 30 Ca -0.01 1.17 -0.14 0.00 0.04 0.00 0.00 61.00 62.06 1de2 s PRO 30 Cb -0.02 -3.07 0.00 0.00 0.04 0.00 0.00 34.50 31.46 1de2 s PRO 30 CO -0.00 0.46 0.52 -0.59 0.04 0.00 0.00 177.00 177.42 1de2 s PHE 31 N -1.35 0.29 -0.01 0.56 -0.71 -1.26 -2.12 117.98 113.38 1de2 s PHE 31 Ca 0.41 -0.67 -0.01 0.00 -1.04 0.00 0.00 56.93 55.63 1de2 s PHE 31 Cb -0.21 0.27 0.00 0.00 -1.21 0.00 0.00 43.02 41.87 1de2 s PHE 31 CO 0.25 -1.04 0.02 -1.21 -1.34 0.00 0.00 175.22 171.90 1de2 s GLU 32 N -3.96 0.05 0.46 1.99 2.02 0.24 -4.81 118.70 114.69 1de2 s GLU 32 Ca 0.21 -0.01 -0.03 0.00 0.02 0.00 0.00 54.97 55.16 1de2 s GLU 32 Cb -0.02 0.02 -0.02 0.00 0.10 0.00 0.00 34.13 34.21 1de2 s GLU 32 CO 0.09 -0.01 0.73 0.12 0.02 0.00 0.00 175.26 176.22 1de2 s PHE 33 N -0.08 3.44 -0.13 1.61 5.36 -1.26 -1.57 117.98 125.34 1de2 s PHE 33 Ca -0.01 0.58 -0.05 0.00 -0.96 0.00 0.00 56.93 56.49 1de2 s PHE 33 Cb -0.01 -2.29 0.07 0.00 -0.34 0.00 0.00 43.02 40.45 1de2 s PHE 33 CO -0.00 -0.29 0.28 0.42 -1.46 0.00 0.00 175.22 174.16 1de2 s ILE 34 N -2.66 -0.41 -0.14 3.12 1.01 0.43 -4.77 121.20 117.78 1de2 s ILE 34 Ca 0.47 0.26 -0.14 0.00 0.00 0.00 0.00 60.65 61.24 1de2 s ILE 34 Cb -0.10 -0.46 -0.05 0.00 0.01 0.00 0.00 42.46 41.86 1de2 s ILE 34 CO 0.42 0.11 0.31 0.54 0.00 0.00 0.00 174.94 176.32 1de2 s ASN 35 N 2.36 6.48 -0.10 3.58 2.20 -1.26 0.05 114.94 128.25 1de2 s ASN 35 Ca 0.00 0.57 0.20 0.00 -0.94 0.00 0.00 52.86 52.69 1de2 s ASN 35 Cb -0.12 -2.19 -0.29 0.00 -2.00 0.00 0.00 41.25 36.65 1de2 s ASN 35 CO -0.09 0.12 0.29 2.30 -2.94 0.00 0.00 177.10 176.78 1de2 n ILE 36 N 3.39 0.62 -3.75 0.54 -6.64 -1.04 -4.71 119.36 107.76 1de2 n ILE 36 Ca -0.12 -0.65 -0.33 0.00 -1.77 0.00 0.00 62.75 59.88 1de2 n ILE 36 Cb 0.52 -0.21 -0.09 0.00 -1.44 0.00 0.00 39.64 38.42 1de2 n ILE 36 CO 0.00 0.00 0.00 -0.32 -1.77 0.00 0.00 176.55 174.46 1de2 s MET 37 N -3.03 2.85 0.00 6.28 1.75 -1.26 0.14 119.30 126.04 1de2 s MET 37 Ca -0.09 -3.18 0.08 0.00 -1.25 0.00 0.00 55.69 51.25 1de2 s MET 37 Cb 0.10 -3.72 0.43 0.00 2.84 0.00 0.00 34.83 34.48 1de2 s MET 37 CO 0.85 -1.25 1.29 -0.35 -0.65 0.00 0.00 175.02 174.91 1de2 n PRO 38 N 2.38 1.13 -3.81 4.11 -0.04 -1.26 -4.72 135.00 132.78 1de2 n PRO 38 Ca 0.18 -0.19 -0.16 0.00 -0.04 0.00 0.00 63.50 63.29 1de2 n PRO 38 Cb 0.36 -1.14 -0.16 0.00 -0.04 0.00 0.00 33.50 32.52 1de2 n PRO 38 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 1de2 s GLU 39 N -1.94 0.06 0.00 0.54 2.12 -1.26 -5.00 118.70 113.21 1de2 s GLU 39 Ca 0.13 0.16 0.00 0.00 0.36 0.00 0.00 54.97 55.62 1de2 s GLU 39 Cb 0.06 -0.32 0.00 0.00 0.26 0.00 0.00 34.13 34.14 1de2 s GLU 39 CO 0.10 -0.16 0.91 1.17 -0.54 0.00 0.00 175.26 176.74 1de2 n LYS 40 N 4.18 0.00 0.00 4.30 4.81 -1.26 -3.30 118.16 126.89 1de2 n LYS 40 Ca -0.27 0.41 0.00 0.00 -0.87 0.00 0.00 58.31 57.57 1de2 n LYS 40 Cb 0.50 -1.50 0.00 0.00 0.02 0.00 0.00 35.03 34.05 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 -1.41 -0.45 3.08 3.14 0.00 -1.26 -5.03 105.19 103.27 1de2 n GLY 41 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.85 1.21 0.95 1.61 1.01 -1.21 -5.14 120.40 117.98 1de2 s VAL 42 Ca 0.00 -0.58 -0.12 0.00 0.00 0.00 0.00 61.98 61.29 1de2 s VAL 42 Cb 0.00 -1.06 0.16 0.00 0.00 0.00 0.00 36.38 35.48 1de2 s VAL 42 CO 0.00 0.36 1.09 0.72 0.00 0.00 0.00 175.10 177.27 1de2 s PHE 43 N 0.24 2.09 -0.13 5.22 -0.12 -1.26 -4.11 117.98 119.92 1de2 s PHE 43 Ca -0.07 1.27 -0.28 0.00 -0.05 0.00 0.00 56.93 57.80 1de2 s PHE 43 Cb -0.12 -3.18 -0.01 0.00 -0.63 0.00 0.00 43.02 39.08 1de2 s PHE 43 CO 0.02 -2.70 0.96 0.34 -0.05 0.00 0.00 175.22 173.79 1de2 s ASP 44 N -3.23 7.16 0.36 1.98 2.15 0.38 -4.90 116.67 120.57 1de2 s ASP 44 Ca 0.65 1.43 0.19 0.00 0.43 0.00 0.00 52.55 55.24 1de2 s ASP 44 Cb -0.19 -2.53 0.50 0.00 -0.30 0.00 0.00 42.92 40.40 1de2 s ASP 44 CO 0.58 -0.44 1.64 0.44 -0.17 0.00 0.00 175.17 177.23 1de2 h ASP 45 N 7.16 0.00 -0.09 -0.34 5.19 -1.94 -2.93 116.42 123.48 1de2 h ASP 45 Ca -0.30 0.00 0.03 0.00 -0.62 0.00 0.00 57.03 56.14 1de2 h ASP 45 Cb 1.14 0.00 -0.04 0.00 0.18 0.00 0.00 39.33 40.62 1de2 h ASP 45 CO 0.85 0.37 -0.11 -0.08 -3.12 0.00 0.00 179.24 177.15 1de2 h GLU 46 N 0.00 -0.14 -0.28 3.56 4.81 -1.94 0.47 114.58 121.05 1de2 h GLU 46 Ca -0.00 0.01 -0.18 0.00 -0.13 0.00 0.00 59.36 59.06 1de2 h GLU 46 Cb 1.05 0.03 -0.00 0.00 0.63 0.00 0.00 28.75 30.46 1de2 h GLU 46 CO 0.05 -0.10 -0.53 0.87 -0.73 0.00 0.00 179.01 178.58 1de2 h LYS 47 N -0.15 0.83 -0.83 1.92 1.79 -1.91 -2.90 116.57 115.32 1de2 h LYS 47 Ca 0.07 -0.51 0.05 0.00 -2.18 0.00 0.00 60.65 58.08 1de2 h LYS 47 Cb 0.25 0.05 -0.05 0.00 -1.58 0.00 0.00 32.23 30.91 1de2 h LYS 47 CO -0.18 1.15 0.54 0.82 -1.08 0.00 0.00 179.45 180.70 1de2 h ILE 48 N 0.64 1.10 -0.02 1.86 2.04 -1.24 0.24 117.51 122.13 1de2 h ILE 48 Ca 0.02 -0.34 -0.00 0.00 1.00 0.00 0.00 64.86 65.54 1de2 h ILE 48 Cb 1.12 0.03 -0.00 0.00 -0.74 0.00 0.00 36.82 37.23 1de2 h ILE 48 CO 0.12 0.18 0.01 0.00 0.00 0.00 0.00 178.15 178.45 1de2 h ALA 49 N 1.53 0.03 -0.74 1.87 0.00 0.05 -1.36 119.26 120.65 1de2 h ALA 49 Ca 0.34 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 55.08 1de2 h ALA 49 Cb 0.11 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 1de2 h ALA 49 CO -0.11 -0.35 0.27 1.49 0.00 0.00 0.00 179.25 180.55 1de2 h GLU 50 N -0.19 1.12 0.02 0.00 4.81 -1.24 -2.71 114.58 116.39 1de2 h GLU 50 Ca 0.01 -0.22 0.01 0.00 -0.13 0.00 0.00 59.36 59.03 1de2 h GLU 50 Cb 0.23 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 29.42 1de2 h GLU 50 CO 0.00 0.93 -0.08 1.25 -0.73 0.00 0.00 179.01 180.38 1de2 h LEU 51 N 1.07 -0.23 -0.60 1.64 5.85 -0.40 0.12 115.31 122.76 1de2 h LEU 51 Ca 0.24 0.03 0.11 0.00 0.84 0.00 0.00 57.88 59.11 1de2 h LEU 51 Cb 0.24 0.09 -0.08 0.00 0.37 0.00 0.00 40.66 41.28 1de2 h LEU 51 CO -0.02 -0.12 0.14 -0.07 -0.34 0.00 0.00 178.44 178.04 1de2 h LEU 52 N -0.15 0.03 -1.18 2.25 3.38 -1.09 0.19 115.31 118.74 1de2 h LEU 52 Ca 0.03 0.11 -0.07 0.00 0.09 0.00 0.00 57.88 58.03 1de2 h LEU 52 Cb 0.18 0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 1de2 h LEU 52 CO -0.07 0.02 -0.20 0.74 0.09 0.00 0.00 178.44 179.02 1de2 h THR 53 N 0.28 1.23 -0.63 0.22 2.02 -1.14 -2.63 112.91 112.25 1de2 h THR 53 Ca 0.32 -1.05 -0.04 0.00 0.77 0.00 0.00 66.41 66.41 1de2 h THR 53 Cb 0.46 1.31 -0.03 0.00 -1.74 0.00 0.00 68.15 68.15 1de2 h THR 53 CO -0.39 0.33 0.24 0.50 0.37 0.00 0.00 175.52 176.56 1de2 h LYS 54 N 0.30 0.95 0.01 6.66 1.63 0.20 -3.28 116.57 123.05 1de2 h LYS 54 Ca 0.05 -0.18 -0.00 0.00 -0.85 0.00 0.00 60.65 59.67 1de2 h LYS 54 Cb 0.53 -0.15 0.00 0.00 -0.60 0.00 0.00 32.23 32.01 1de2 h LYS 54 CO 0.03 0.81 -0.01 -0.07 -3.45 0.00 0.00 179.45 176.77 1de2 h LEU 55 N 0.89 -0.02 0.00 5.20 3.38 -0.70 -3.44 115.31 120.63 1de2 h LEU 55 Ca 0.21 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.18 1de2 h LEU 55 Cb 0.23 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.98 1de2 h LEU 55 CO -0.01 -0.01 0.00 0.61 0.09 0.00 0.00 178.44 179.11 1de2 n GLY 56 N -1.01 1.05 0.00 0.83 0.00 -1.10 -4.93 105.19 100.03 1de2 n GLY 56 Ca -0.00 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.95 1de2 n GLY 56 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1de2 n ARG 57 N 0.00 2.18 -0.05 1.61 1.74 -1.25 -4.98 116.66 115.90 1de2 n ARG 57 Ca 0.00 0.00 -0.05 0.00 -0.77 0.00 0.00 57.85 57.03 1de2 n ARG 57 Cb 0.00 0.00 -0.08 0.00 -1.02 0.00 0.00 32.46 31.36 1de2 n ARG 57 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 1de2 n ASP 58 N -1.33 2.39 -4.94 0.55 5.68 -1.26 -4.14 116.55 113.50 1de2 n ASP 58 Ca 0.00 -0.00 -0.25 0.00 -0.50 0.00 0.00 54.79 54.04 1de2 n ASP 58 Cb 0.00 0.72 0.02 0.00 -1.14 0.00 0.00 41.12 40.72 1de2 n ASP 58 CO 0.00 0.00 0.00 0.28 -1.33 0.00 0.00 177.20 176.15 1de2 s THR 59 N -2.26 3.89 -0.36 2.12 -1.32 -1.26 -4.97 115.64 111.48 1de2 s THR 59 Ca -0.06 -0.27 0.02 0.00 -1.21 0.00 0.00 61.69 60.17 1de2 s THR 59 Cb 0.03 -3.48 0.10 0.00 -1.51 0.00 0.00 72.50 67.64 1de2 s THR 59 CO 0.43 -0.41 0.09 0.00 -2.21 0.00 0.00 174.62 172.53 1de2 s GLN 60 N -4.74 1.65 -1.18 7.08 0.00 -1.26 -5.04 119.66 116.17 1de2 s GLN 60 Ca 0.51 -1.85 -0.20 0.00 -0.00 0.00 0.00 55.36 53.81 1de2 s GLN 60 Cb -0.10 -3.31 0.05 0.00 0.00 0.00 0.00 33.01 29.64 1de2 s GLN 60 CO 0.41 -0.97 1.66 -1.50 0.00 0.00 0.00 175.29 174.89 1de2 s ILE 61 N 0.98 3.99 -1.79 3.63 1.10 -1.26 -4.11 121.20 123.74 1de2 s ILE 61 Ca 0.10 -1.39 0.00 0.00 -0.51 0.00 0.00 60.65 58.85 1de2 s ILE 61 Cb -0.20 -5.07 0.00 0.00 0.15 0.00 0.00 42.46 37.34 1de2 s ILE 61 CO -0.07 -1.89 0.00 0.61 -2.11 0.00 0.00 174.94 171.48 1de2 n GLY 62 N 6.01 0.50 3.67 1.50 0.00 -1.26 -4.89 105.19 110.72 1de2 n GLY 62 Ca 0.43 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 46.01 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 -2.65 3.04 -4.58 0.99 7.99 -1.26 -5.00 117.00 115.52 1de2 n LEU 63 Ca -0.21 1.17 -0.27 0.00 -0.01 0.00 0.00 56.01 56.69 1de2 n LEU 63 Cb 0.65 -1.42 -0.11 0.00 -0.11 0.00 0.00 43.42 42.43 1de2 n LEU 63 CO 0.27 -0.62 -0.28 0.42 -1.51 0.00 0.00 177.39 175.66 1de2 s THR 64 N -0.52 1.77 0.20 -5.08 -4.23 -1.26 -5.13 115.64 101.39 1de2 s THR 64 Ca 0.63 -2.00 0.09 0.00 -1.18 0.00 0.00 61.69 59.23 1de2 s THR 64 Cb -0.64 -2.92 -0.05 0.00 1.34 0.00 0.00 72.50 70.23 1de2 s THR 64 CO 0.55 0.00 -0.17 -0.04 -0.54 0.00 0.00 174.62 174.42 1de2 s MET 65 N -3.76 1.37 0.33 3.99 -1.94 -1.26 -4.31 119.30 113.72 1de2 s MET 65 Ca 0.35 -1.54 -0.16 0.00 -1.71 0.00 0.00 55.69 52.62 1de2 s MET 65 Cb 0.09 -1.33 -0.09 0.00 2.01 0.00 0.00 34.83 35.51 1de2 s MET 65 CO 0.17 0.25 0.76 -1.25 -0.01 0.00 0.00 175.02 174.93 1de2 s PRO 66 N -3.25 4.03 -0.17 2.03 0.05 -1.26 -5.04 135.00 131.39 1de2 s PRO 66 Ca 0.21 0.72 -0.04 0.00 0.05 0.00 0.00 61.00 61.94 1de2 s PRO 66 Cb -0.04 -2.42 -0.02 0.00 0.05 0.00 0.00 34.50 32.07 1de2 s PRO 66 CO 0.08 0.15 -0.04 -0.65 0.05 0.00 0.00 177.00 176.59 1de2 s GLN 67 N -2.97 3.60 0.36 4.56 -1.52 -0.01 -4.45 119.66 119.24 1de2 s GLN 67 Ca 0.55 -0.55 0.06 0.00 -1.95 0.00 0.00 55.36 53.46 1de2 s GLN 67 Cb -0.10 -2.93 -0.01 0.00 -0.22 0.00 0.00 33.01 29.75 1de2 s GLN 67 CO 0.17 0.15 0.51 0.08 -0.25 0.00 0.00 175.29 175.95 1de2 s VAL 68 N 0.60 3.94 -0.02 1.09 1.01 0.76 0.16 120.40 127.94 1de2 s VAL 68 Ca -0.03 -0.92 -0.03 0.00 0.00 0.00 0.00 61.98 61.01 1de2 s VAL 68 Cb -0.14 -3.38 0.00 0.00 0.00 0.00 0.00 36.38 32.86 1de2 s VAL 68 CO 0.03 -0.16 0.08 -0.36 0.00 0.00 0.00 175.10 174.68 1de2 s PHE 69 N -2.26 -0.03 0.26 5.22 0.08 0.32 -2.56 117.98 119.01 1de2 s PHE 69 Ca 0.47 0.08 -0.30 0.00 0.12 0.00 0.00 56.93 57.30 1de2 s PHE 69 Cb -0.10 -0.01 -0.14 0.00 -0.57 0.00 0.00 43.02 42.21 1de2 s PHE 69 CO 0.32 -0.09 1.22 0.00 -0.10 0.00 0.00 175.22 176.58 1de2 n ALA 70 N 2.66 0.41 -0.50 5.36 0.00 0.80 -1.84 120.51 127.40 1de2 n ALA 70 Ca -0.15 0.41 0.44 0.00 0.00 0.00 0.00 53.44 54.13 1de2 n ALA 70 Cb 0.58 -2.15 0.78 0.00 0.00 0.00 0.00 19.45 18.67 1de2 n ALA 70 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1de2 h PRO 71 N 3.09 0.00 0.00 0.00 0.11 -1.89 -3.03 132.00 130.27 1de2 h PRO 71 Ca -0.43 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 65.56 1de2 h PRO 71 Cb 1.31 0.00 -0.11 0.00 0.11 0.00 0.00 31.00 32.31 1de2 h PRO 71 CO 0.68 0.00 -0.22 -0.25 -0.21 0.00 0.00 178.00 178.00 1de2 n ASP 72 N -4.05 -1.01 0.00 -2.05 8.00 -1.26 -3.33 116.55 112.85 1de2 n ASP 72 Ca 0.34 -1.81 0.00 0.00 0.71 0.00 0.00 54.79 54.03 1de2 n ASP 72 Cb 1.61 0.42 0.00 0.00 -0.02 0.00 0.00 41.12 43.13 1de2 n ASP 72 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1de2 n GLY 73 N -0.76 2.51 3.35 0.44 0.00 -1.15 -5.17 105.19 104.42 1de2 n GLY 73 Ca -0.17 -0.29 -0.20 0.00 0.00 0.00 0.00 46.02 45.36 1de2 n GLY 73 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1de2 s SER 74 N 1.00 1.76 0.00 1.61 1.04 -1.26 -4.79 113.70 113.06 1de2 s SER 74 Ca 0.00 -1.62 -0.36 0.00 0.48 0.00 0.00 55.95 54.45 1de2 s SER 74 Cb 0.00 0.45 -0.14 0.00 0.10 0.00 0.00 66.02 66.43 1de2 s SER 74 CO 0.00 -0.94 1.63 1.57 0.98 0.00 0.00 173.24 176.48 1de2 n HIS 75 N -0.64 2.07 -0.06 5.02 -0.00 -1.26 -0.14 115.22 120.21 1de2 n HIS 75 Ca 0.01 0.33 -0.22 0.00 0.46 0.00 0.00 57.72 58.30 1de2 n HIS 75 Cb 0.64 -2.51 -0.12 0.00 -0.12 0.00 0.00 29.99 27.88 1de2 n HIS 75 CO 0.00 0.00 0.00 -0.89 0.46 0.00 0.00 176.34 175.91 1de2 n ILE 76 N 3.86 1.64 0.00 3.57 5.41 -1.06 -4.79 119.36 127.99 1de2 n ILE 76 Ca 0.20 -0.34 0.00 0.00 1.00 0.00 0.00 62.75 63.61 1de2 n ILE 76 Cb 0.24 -1.87 0.00 0.00 -0.71 0.00 0.00 39.64 37.30 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 1.70 0.57 0.00 7.39 0.00 -1.21 -4.57 105.19 109.07 1de2 n GLY 77 Ca -0.34 -1.81 0.00 0.00 0.00 0.00 0.00 46.02 43.87 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 1.25 0.08 -0.02 0.00 -1.26 -0.17 105.19 105.07 1de2 n GLY 78 Ca 0.00 -1.08 -0.02 0.00 0.00 0.00 0.00 46.02 44.92 1de2 n GLY 78 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1de2 h PHE 79 N 0.00 -0.12 -0.62 1.61 3.57 -1.92 -2.70 116.94 116.76 1de2 h PHE 79 Ca 0.00 -0.00 0.10 0.00 3.53 0.00 0.00 57.97 61.59 1de2 h PHE 79 Cb 0.00 0.04 -0.07 0.00 2.79 0.00 0.00 35.95 38.71 1de2 h PHE 79 CO 0.00 -0.08 0.23 0.22 -2.23 0.00 0.00 178.31 176.45 1de2 h ASP 80 N -0.72 0.22 -0.54 0.41 3.58 -1.99 -1.07 116.42 116.30 1de2 h ASP 80 Ca -0.01 0.08 0.04 0.00 0.42 0.00 0.00 57.03 57.56 1de2 h ASP 80 Cb 0.10 0.06 -0.04 0.00 1.72 0.00 0.00 39.33 41.17 1de2 h ASP 80 CO 0.02 0.13 0.29 1.56 -2.88 0.00 0.00 179.24 178.36 1de2 h GLN 81 N 0.40 0.55 -0.25 0.28 7.50 -1.89 -2.57 115.11 119.13 1de2 h GLN 81 Ca 0.31 -0.03 0.01 0.00 0.50 0.00 0.00 58.65 59.44 1de2 h GLN 81 Cb 0.39 -0.12 -0.02 0.00 0.05 0.00 0.00 27.48 27.78 1de2 h GLN 81 CO -0.32 0.37 0.14 1.25 -1.50 0.00 0.00 178.83 178.77 1de2 h LEU 82 N 0.57 0.22 -1.67 1.46 5.85 -0.89 -1.10 115.31 119.75 1de2 h LEU 82 Ca 0.23 0.00 0.20 0.00 0.84 0.00 0.00 57.88 59.16 1de2 h LEU 82 Cb 0.11 -0.04 -0.05 0.00 0.37 0.00 0.00 40.66 41.04 1de2 h LEU 82 CO -0.14 0.16 0.57 -0.09 -0.34 0.00 0.00 178.44 178.61 1de2 h ARG 83 N 0.29 0.27 -0.06 1.25 2.43 -0.87 1.15 114.38 118.84 1de2 h ARG 83 Ca 0.10 -0.02 -0.15 0.00 -0.81 0.00 0.00 59.98 59.10 1de2 h ARG 83 Cb 0.00 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.48 1de2 h ARG 83 CO -0.05 0.18 -0.63 1.49 -1.51 0.00 0.00 179.97 179.45 1de2 h GLU 84 N 0.28 0.23 -0.25 0.20 4.57 -0.90 0.98 114.58 119.69 1de2 h GLU 84 Ca 0.43 -0.17 -0.08 0.00 -1.18 0.00 0.00 59.36 58.36 1de2 h GLU 84 Cb 1.22 0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 29.83 1de2 h GLU 84 CO -0.12 0.79 -0.18 -0.92 -1.18 0.00 0.00 179.01 177.40 1de2 h TYR 85 N 0.17 0.47 0.00 0.92 3.20 0.23 -2.85 116.97 119.11 1de2 h TYR 85 Ca -0.01 -0.08 -0.20 0.00 3.14 0.00 0.00 58.73 61.58 1de2 h TYR 85 Cb 1.15 -0.12 -0.03 0.00 1.54 0.00 0.00 36.73 39.26 1de2 h TYR 85 CO 0.02 0.59 -1.48 1.19 -1.64 0.00 0.00 178.16 176.84 1de2 n PHE 86 N -4.18 1.01 -0.53 -3.82 3.72 0.22 -5.10 117.46 108.79 1de2 n PHE 86 Ca -0.00 0.34 0.00 0.00 -0.05 0.00 0.00 57.45 57.74 1de2 n PHE 86 Cb 0.35 -1.12 0.00 0.00 -0.94 0.00 0.00 39.48 37.77 1de2 n PHE 86 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34