#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dll n HIS 3 N 0.00 0.00 0.00 0.00 -0.00 -1.26 -4.98 115.22 108.98 3dll n HIS 3 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 3dll n HIS 3 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 29.99 3dll n HIS 3 CO 0.00 0.00 0.00 0.36 -0.00 0.00 0.00 176.34 176.70 3dll n LYS 4 N 0.00 0.00 -0.49 -1.40 2.85 -1.26 -5.16 118.16 112.70 3dll n LYS 4 Ca 0.00 0.00 -0.08 0.00 -1.05 0.00 0.00 58.31 57.18 3dll n LYS 4 Cb 0.00 0.00 0.06 0.00 -0.65 0.00 0.00 35.03 34.44 3dll n LYS 4 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 3dll n LYS 5 N 0.00 -0.66 -2.33 -1.58 4.01 -1.26 -5.03 118.16 111.32 3dll n LYS 5 Ca 0.00 -0.57 -0.38 0.00 -0.51 0.00 0.00 58.31 56.85 3dll n LYS 5 Cb 0.00 -0.41 -0.02 0.00 -0.51 0.00 0.00 35.03 34.09 3dll n LYS 5 CO 0.00 0.00 0.00 0.20 -1.11 0.00 0.00 177.40 176.49 3dll s GLY 6 N -3.65 2.85 0.00 0.72 0.00 -1.26 -5.02 107.32 100.96 3dll s GLY 6 Ca 0.21 0.93 0.00 0.00 0.00 0.00 0.00 44.72 45.86 3dll s GLY 6 CO 0.15 1.44 0.00 -0.62 0.00 0.00 0.00 173.10 174.07 3dll n VAL 7 N 0.05 0.00 -3.51 1.40 0.31 -1.26 -4.29 118.33 111.04 3dll n VAL 7 Ca 0.04 0.16 -0.42 0.00 -0.01 0.00 0.00 64.34 64.12 3dll n VAL 7 Cb 0.47 -0.69 -0.09 0.00 -0.91 0.00 0.00 33.84 32.62 3dll n VAL 7 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 3dll s GLY 8 N 0.00 2.01 0.00 2.92 0.00 -1.26 -5.01 107.32 105.99 3dll s GLY 8 Ca 0.00 -2.26 0.00 0.00 0.00 0.00 0.00 44.72 42.46 3dll s GLY 8 CO 0.00 1.04 0.00 1.44 0.00 0.00 0.00 173.10 175.58 3dll n SER 9 N 5.02 0.00 -4.77 1.64 7.64 -1.26 -4.86 113.62 117.03 3dll n SER 9 Ca -0.11 0.00 -0.33 0.00 1.01 0.00 0.00 58.87 59.45 3dll n SER 9 Cb 0.42 0.00 0.05 0.00 -1.01 0.00 0.00 64.21 63.68 3dll n SER 9 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 3dll s SER 10 N 0.00 5.01 -0.04 6.43 0.01 -1.26 -4.81 113.70 119.04 3dll s SER 10 Ca 0.00 1.99 -0.03 0.00 1.31 0.00 0.00 55.95 59.22 3dll s SER 10 Cb 0.00 -2.55 0.01 0.00 0.21 0.00 0.00 66.02 63.69 3dll s SER 10 CO 0.00 -1.69 0.06 0.29 0.41 0.00 0.00 173.24 172.31 3dll n LYS 11 N -2.55 -1.90 0.00 12.44 5.02 -1.26 -5.12 118.16 124.79 3dll n LYS 11 Ca 0.10 1.71 0.00 0.00 -2.02 0.00 0.00 58.31 58.11 3dll n LYS 11 Cb 0.52 -2.42 0.00 0.00 -0.02 0.00 0.00 35.03 33.11 3dll n LYS 11 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3dll n ASN 12 N 0.69 0.11 -0.24 4.39 3.02 -1.26 -5.10 115.26 116.87 3dll n ASN 12 Ca -0.10 0.00 -0.00 0.00 -0.03 0.00 0.00 54.58 54.45 3dll n ASN 12 Cb 0.16 0.00 -0.00 0.00 -0.61 0.00 0.00 39.78 39.33 3dll n ASN 12 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3dll n GLY 13 N 2.06 -0.12 3.78 7.41 0.00 -1.26 -5.14 105.19 111.91 3dll n GLY 13 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 3dll n GLY 13 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3dll s ARG 14 N 0.00 4.56 0.27 1.61 6.06 -1.26 -4.96 118.95 125.23 3dll s ARG 14 Ca 0.00 1.42 0.00 0.00 -2.50 0.00 0.00 55.73 54.65 3dll s ARG 14 Cb 0.00 -2.85 0.00 0.00 0.06 0.00 0.00 34.95 32.16 3dll s ARG 14 CO 0.00 0.24 0.00 -0.25 -2.50 0.00 0.00 175.30 172.79 3dll n ASP 15 N 0.63 -4.61 0.00 -2.12 10.43 -1.26 -5.10 116.55 114.52 3dll n ASP 15 Ca 0.02 0.58 0.00 0.00 2.57 0.00 0.00 54.79 57.96 3dll n ASP 15 Cb 0.49 -3.25 0.00 0.00 1.84 0.00 0.00 41.12 40.21 3dll n ASP 15 CO 0.00 0.00 0.00 -1.20 -1.07 0.00 0.00 177.20 174.93 3dll n SER 16 N -4.14 0.81 -3.88 -2.24 7.64 -1.26 -5.20 113.62 105.36 3dll n SER 16 Ca -0.02 0.00 -0.12 0.00 1.01 0.00 0.00 58.87 59.74 3dll n SER 16 Cb 0.57 0.00 -0.13 0.00 -1.01 0.00 0.00 64.21 63.64 3dll n SER 16 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 3dll s ASN 17 N 1.20 0.02 0.65 6.43 0.02 -1.26 -5.04 114.94 116.96 3dll s ASN 17 Ca 0.00 -0.05 0.24 0.00 -1.02 0.00 0.00 52.86 52.03 3dll s ASN 17 Cb 0.00 0.05 1.26 0.00 0.02 0.00 0.00 41.25 42.58 3dll s ASN 17 CO 0.00 -0.06 1.71 -0.65 0.02 0.00 0.00 177.10 178.12 3dll h PRO 18 N 5.86 0.00 -0.32 -0.60 0.11 -2.08 -3.47 132.00 131.50 3dll h PRO 18 Ca -0.25 0.00 0.01 0.00 0.11 0.00 0.00 66.00 65.86 3dll h PRO 18 Cb 1.21 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.32 3dll h PRO 18 CO 0.48 0.00 -0.02 0.36 -0.21 0.00 0.00 178.00 178.62 3dll n LYS 19 N -3.02 -0.07 0.00 1.05 2.85 -1.26 -5.07 118.16 112.64 3dll n LYS 19 Ca 0.02 0.05 0.00 0.00 -1.05 0.00 0.00 58.31 57.33 3dll n LYS 19 Cb 0.63 -0.21 0.00 0.00 -0.65 0.00 0.00 35.03 34.79 3dll n LYS 19 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 3dll n TYR 20 N -0.96 0.00 -2.73 5.58 4.01 -1.26 -5.21 117.16 116.60 3dll n TYR 20 Ca -0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 3dll n TYR 20 Cb 0.50 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.53 3dll n TYR 20 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 3dll n LEU 21 N 0.00 0.00 0.00 7.72 4.77 -1.26 -5.05 117.00 123.18 3dll n LEU 21 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 3dll n LEU 21 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 3dll n LEU 21 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.67 3dll n GLY 22 N 0.00 0.34 3.80 -0.72 0.00 -0.57 -4.95 105.19 103.10 3dll n GLY 22 Ca 0.00 -1.82 -0.22 0.00 0.00 0.00 0.00 46.02 43.98 3dll n GLY 22 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3dll s VAL 23 N 0.00 3.86 0.03 1.61 1.01 -1.26 0.24 120.40 125.90 3dll s VAL 23 Ca 0.00 -1.48 0.00 0.00 0.00 0.00 0.00 61.98 60.50 3dll s VAL 23 Cb 0.00 -3.22 0.00 0.00 0.00 0.00 0.00 36.38 33.16 3dll s VAL 23 CO 0.00 -0.27 0.00 0.29 0.00 0.00 0.00 175.10 175.12 3dll n LYS 24 N -1.21 0.00 -4.12 2.72 4.76 0.82 -4.84 118.16 116.28 3dll n LYS 24 Ca -0.05 0.00 -0.35 0.00 -2.87 0.00 0.00 58.31 55.04 3dll n LYS 24 Cb 0.59 -0.05 -0.12 0.00 -1.84 0.00 0.00 35.03 33.61 3dll n LYS 24 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 3dll s LYS 25 N -2.00 3.69 0.03 1.97 -0.14 -0.54 -5.01 119.74 117.74 3dll s LYS 25 Ca 0.00 -0.49 0.03 0.00 -1.36 0.00 0.00 55.97 54.15 3dll s LYS 25 Cb 0.00 -3.08 -0.04 0.00 -1.68 0.00 0.00 37.83 33.04 3dll s LYS 25 CO 0.00 0.09 -0.03 -0.06 -0.76 0.00 0.00 175.35 174.60 3dll s PHE 26 N 0.79 2.98 -0.16 3.18 0.40 -1.26 -4.82 117.98 119.09 3dll s PHE 26 Ca 0.01 0.00 -0.01 0.00 -0.60 0.00 0.00 56.93 56.32 3dll s PHE 26 Cb -0.14 -1.60 -0.06 0.00 0.51 0.00 0.00 43.02 41.73 3dll s PHE 26 CO 0.02 0.44 1.15 0.41 0.70 0.00 0.00 175.22 177.94 3dll n GLY 27 N 1.19 -0.08 0.00 4.36 0.00 -1.25 -0.38 105.19 109.03 3dll n GLY 27 Ca -0.14 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.88 3dll n GLY 27 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dll n GLY 28 N 4.48 0.17 3.92 -0.02 0.00 -1.04 -4.93 105.19 107.78 3dll n GLY 28 Ca 0.11 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.84 3dll n GLY 28 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3dll s GLU 29 N 0.00 1.12 -0.38 1.61 2.02 0.49 -4.85 118.70 118.71 3dll s GLU 29 Ca 0.00 -0.23 0.02 0.00 0.02 0.00 0.00 54.97 54.78 3dll s GLU 29 Cb 0.00 -1.89 0.11 0.00 0.10 0.00 0.00 34.13 32.46 3dll s GLU 29 CO 0.00 -2.11 0.15 0.08 0.02 0.00 0.00 175.26 173.40 3dll s VAL 30 N -3.77 1.51 0.00 2.63 1.01 -1.24 -2.18 120.40 118.35 3dll s VAL 30 Ca 0.70 -2.17 0.00 0.00 0.00 0.00 0.00 61.98 60.50 3dll s VAL 30 Cb -0.06 -2.09 0.00 0.00 0.00 0.00 0.00 36.38 34.22 3dll s VAL 30 CO 0.51 -0.75 0.00 1.33 0.00 0.00 0.00 175.10 176.20 3dll n VAL 31 N 4.12 0.00 0.00 2.92 0.24 -1.25 -4.75 118.33 119.60 3dll n VAL 31 Ca 0.03 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.33 3dll n VAL 31 Cb 0.38 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.75 3dll n VAL 31 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 3dll n LYS 32 N 0.00 0.00 -0.88 7.34 4.81 -1.25 -4.59 118.16 123.59 3dll n LYS 32 Ca 0.00 0.00 -0.36 0.00 -0.87 0.00 0.00 58.31 57.08 3dll n LYS 32 Cb 0.00 0.00 -0.05 0.00 0.02 0.00 0.00 35.03 35.00 3dll n LYS 32 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3dll n ALA 33 N 0.00 3.13 -1.15 3.14 0.00 -1.24 -3.74 120.51 120.64 3dll n ALA 33 Ca 0.00 -2.69 0.00 0.00 0.00 0.00 0.00 53.44 50.75 3dll n ALA 33 Cb 0.00 -3.42 0.00 0.00 0.00 0.00 0.00 19.45 16.03 3dll n ALA 33 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3dll n GLY 34 N 4.38 1.08 3.66 0.00 0.00 0.57 -5.00 105.19 109.87 3dll n GLY 34 Ca 0.44 -0.47 -0.43 0.00 0.00 0.00 0.00 46.02 45.57 3dll n GLY 34 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3dll s ASN 35 N -2.55 6.90 -0.32 1.61 0.02 -1.22 -4.44 114.94 114.92 3dll s ASN 35 Ca 0.00 1.70 -0.27 0.00 -1.02 0.00 0.00 52.86 53.26 3dll s ASN 35 Cb 0.00 -2.54 -0.05 0.00 0.02 0.00 0.00 41.25 38.68 3dll s ASN 35 CO 0.00 -0.80 2.23 -0.63 0.02 0.00 0.00 177.10 177.91 3dll s ILE 36 N 3.63 3.06 -0.04 0.60 1.01 -1.26 -2.01 121.20 126.19 3dll s ILE 36 Ca 0.56 0.06 -0.08 0.00 0.00 0.00 0.00 60.65 61.19 3dll s ILE 36 Cb -0.22 -3.10 -0.29 0.00 0.01 0.00 0.00 42.46 38.85 3dll s ILE 36 CO 0.16 -0.08 0.69 -0.07 0.00 0.00 0.00 174.94 175.65 3dll h LEU 37 N 16.36 0.52 -7.34 2.97 4.07 -1.51 -3.36 115.31 127.02 3dll h LEU 37 Ca -0.35 -0.80 -0.15 0.00 0.08 0.00 0.00 57.88 56.66 3dll h LEU 37 Cb 1.24 -0.17 -0.26 0.00 1.08 0.00 0.00 40.66 42.55 3dll h LEU 37 CO 1.03 1.68 -0.35 -0.69 -1.08 0.00 0.00 178.44 179.03 3dll s VAL 38 N -2.59 -0.02 -0.07 1.22 1.01 -1.16 -0.13 120.40 118.67 3dll s VAL 38 Ca -0.14 0.06 0.03 0.00 0.00 0.00 0.00 61.98 61.92 3dll s VAL 38 Cb 0.06 -0.49 -0.02 0.00 0.00 0.00 0.00 36.38 35.93 3dll s VAL 38 CO 0.85 0.02 -0.15 -0.13 0.00 0.00 0.00 175.10 175.69 3dll s ARG 39 N 0.73 2.71 0.32 2.72 0.52 0.66 -1.33 118.95 125.28 3dll s ARG 39 Ca -0.04 -0.71 -0.15 0.00 -0.52 0.00 0.00 55.73 54.31 3dll s ARG 39 Cb -0.06 -2.42 0.02 0.00 0.52 0.00 0.00 34.95 33.02 3dll s ARG 39 CO -0.05 0.50 0.65 1.14 0.02 0.00 0.00 175.30 177.57 3dll s GLN 40 N -0.42 1.90 -0.06 3.54 -2.07 -1.26 -1.51 119.66 119.78 3dll s GLN 40 Ca 0.05 -1.32 -0.00 0.00 -1.82 0.00 0.00 55.36 52.27 3dll s GLN 40 Cb -0.12 0.56 -0.00 0.00 -1.09 0.00 0.00 33.01 32.36 3dll s GLN 40 CO 0.02 -0.85 -0.01 0.00 -1.32 0.00 0.00 175.29 173.13 3dll h ARG 41 N 2.08 0.00 0.00 9.60 2.47 -1.89 -3.43 114.38 123.20 3dll h ARG 41 Ca -0.26 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.46 3dll h ARG 41 Cb 1.25 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.57 3dll h ARG 41 CO 0.34 0.00 0.00 0.41 0.56 0.00 0.00 179.97 181.28 3dll n GLY 42 N 1.86 0.32 2.22 0.04 0.00 -1.26 -4.55 105.19 103.82 3dll n GLY 42 Ca -0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 3dll n GLY 42 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3dll n THR 43 N 0.00 -0.32 -0.12 2.61 -1.04 -1.26 -4.62 114.28 109.54 3dll n THR 43 Ca 0.00 -4.18 -0.10 0.00 -2.04 0.00 0.00 64.05 57.73 3dll n THR 43 Cb 0.00 -1.91 -0.02 0.00 -1.82 0.00 0.00 70.33 66.58 3dll n THR 43 CO 0.00 0.00 0.00 0.50 -0.64 0.00 0.00 175.07 174.93 3dll h LYS 44 N 3.98 0.57 -4.75 -2.82 1.63 -1.95 -3.38 116.57 109.85 3dll h LYS 44 Ca 0.09 -0.15 -0.70 0.00 -0.85 0.00 0.00 60.65 59.03 3dll h LYS 44 Cb 0.86 -0.07 -0.19 0.00 -0.60 0.00 0.00 32.23 32.23 3dll h LYS 44 CO 0.51 0.64 -0.08 -0.06 -3.45 0.00 0.00 179.45 177.01 3dll s PHE 45 N -5.19 3.12 -0.07 1.91 0.40 -1.26 -1.24 117.98 115.64 3dll s PHE 45 Ca -0.13 -0.66 -0.30 0.00 -0.60 0.00 0.00 56.93 55.24 3dll s PHE 45 Cb 0.09 -3.40 -0.03 0.00 0.51 0.00 0.00 43.02 40.19 3dll s PHE 45 CO 0.76 -0.94 1.27 0.15 0.70 0.00 0.00 175.22 177.16 3dll s LYS 46 N 2.30 4.30 0.96 0.44 3.01 0.13 -4.75 119.74 126.13 3dll s LYS 46 Ca 0.11 1.74 -0.12 0.00 -1.01 0.00 0.00 55.97 56.70 3dll s LYS 46 Cb -0.21 -3.62 0.08 0.00 -1.01 0.00 0.00 37.83 33.07 3dll s LYS 46 CO 0.10 -0.55 0.63 0.00 0.51 0.00 0.00 175.35 176.05 3dll n ALA 47 N 5.63 -2.15 -3.00 5.17 0.00 -1.26 -4.05 120.51 120.84 3dll n ALA 47 Ca 0.12 -0.65 0.00 0.00 0.00 0.00 0.00 53.44 52.91 3dll n ALA 47 Cb 0.45 -1.91 0.00 0.00 0.00 0.00 0.00 19.45 17.99 3dll n ALA 47 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3dll n GLY 48 N 1.13 5.63 3.66 0.00 0.00 -1.19 -4.84 105.19 109.57 3dll n GLY 48 Ca 0.08 -0.99 -0.42 0.00 0.00 0.00 0.00 46.02 44.69 3dll n GLY 48 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3dll s GLN 49 N 4.58 4.24 0.00 1.61 0.74 -1.26 -3.63 119.66 125.94 3dll s GLN 49 Ca 0.00 1.01 0.00 0.00 0.05 0.00 0.00 55.36 56.42 3dll s GLN 49 Cb 0.00 -3.61 0.00 0.00 1.10 0.00 0.00 33.01 30.50 3dll s GLN 49 CO 0.00 -0.44 0.00 0.41 -0.55 0.00 0.00 175.29 174.71 3dll n GLY 50 N 3.59 2.71 3.33 2.59 0.00 -1.26 -0.63 105.19 115.51 3dll n GLY 50 Ca 0.06 -0.01 -0.33 0.00 0.00 0.00 0.00 46.02 45.74 3dll n GLY 50 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3dll s VAL 51 N -2.76 2.83 0.00 1.61 1.01 -1.24 0.25 120.40 122.11 3dll s VAL 51 Ca 0.00 -0.74 0.00 0.00 0.00 0.00 0.00 61.98 61.24 3dll s VAL 51 Cb 0.00 -2.17 0.00 0.00 0.00 0.00 0.00 36.38 34.21 3dll s VAL 51 CO 0.00 0.53 0.00 0.61 0.00 0.00 0.00 175.10 176.24 3dll n GLY 52 N 3.57 2.36 2.96 4.51 0.00 -0.87 -3.48 105.19 114.25 3dll n GLY 52 Ca -0.18 -2.07 -0.20 0.00 0.00 0.00 0.00 46.02 43.57 3dll n GLY 52 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3dll s MET 53 N 1.54 0.89 0.57 1.61 1.75 -1.26 -3.37 119.30 121.03 3dll s MET 53 Ca 0.00 -0.24 -0.13 0.00 -1.25 0.00 0.00 55.69 54.07 3dll s MET 53 Cb 0.00 -0.84 -0.06 0.00 2.84 0.00 0.00 34.83 36.77 3dll s MET 53 CO 0.00 0.05 1.01 0.20 -0.65 0.00 0.00 175.02 175.63 3dll s GLY 54 N 0.39 1.83 0.17 2.11 0.00 0.26 -4.88 107.32 107.19 3dll s GLY 54 Ca -0.06 0.03 -0.13 0.00 0.00 0.00 0.00 44.72 44.56 3dll s GLY 54 CO 0.00 0.30 1.13 -2.13 0.00 0.00 0.00 173.10 172.40 3dll n ARG 55 N -2.25 -0.17 -0.68 2.90 0.63 -1.26 0.11 116.66 115.93 3dll n ARG 55 Ca 0.06 1.12 -0.12 0.00 -0.92 0.00 0.00 57.85 57.99 3dll n ARG 55 Cb 0.54 -1.66 0.04 0.00 0.45 0.00 0.00 32.46 31.84 3dll n ARG 55 CO 0.00 0.00 0.00 -0.40 -2.51 0.00 0.00 177.63 174.72 3dll n ASP 56 N -5.07 5.12 -1.52 6.15 5.68 -1.26 -4.80 116.55 120.86 3dll n ASP 56 Ca 0.07 -2.81 -0.17 0.00 -0.50 0.00 0.00 54.79 51.39 3dll n ASP 56 Cb 0.29 -0.90 -0.05 0.00 -1.14 0.00 0.00 41.12 39.32 3dll n ASP 56 CO 0.00 0.00 0.00 1.41 -1.33 0.00 0.00 177.20 177.28 3dll n HIS 57 N 0.32 -0.29 -1.73 2.11 8.25 0.12 -4.62 115.22 119.38 3dll n HIS 57 Ca 0.23 0.00 -0.30 0.00 -0.26 0.00 0.00 57.72 57.39 3dll n HIS 57 Cb 0.71 -3.08 0.06 0.00 1.12 0.00 0.00 29.99 28.80 3dll n HIS 57 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 3dll s THR 58 N -2.70 3.41 -0.16 1.59 2.01 -1.20 -4.28 115.64 114.31 3dll s THR 58 Ca 0.00 0.46 -0.01 0.00 0.31 0.00 0.00 61.69 62.45 3dll s THR 58 Cb 0.00 -3.34 0.04 0.00 0.01 0.00 0.00 72.50 69.22 3dll s THR 58 CO 0.00 -0.60 -0.03 -0.76 -0.69 0.00 0.00 174.62 172.54 3dll s LEU 59 N -5.53 1.41 0.11 4.42 2.01 -0.44 -0.58 118.68 120.08 3dll s LEU 59 Ca 0.59 -0.63 0.07 0.00 0.01 0.00 0.00 54.13 54.18 3dll s LEU 59 Cb -0.13 -0.79 -0.04 0.00 0.01 0.00 0.00 46.19 45.25 3dll s LEU 59 CO 0.53 -0.21 -0.11 0.72 1.01 0.00 0.00 176.35 178.29 3dll s PHE 60 N 1.72 2.71 -0.11 0.29 -0.71 -1.22 -1.27 117.98 119.40 3dll s PHE 60 Ca 0.01 -0.17 -0.27 0.00 -1.04 0.00 0.00 56.93 55.46 3dll s PHE 60 Cb -0.15 -1.41 -0.02 0.00 -1.21 0.00 0.00 43.02 40.23 3dll s PHE 60 CO -0.07 0.43 0.87 0.00 -1.34 0.00 0.00 175.22 175.11 3dll s ALA 61 N -1.25 3.40 -0.14 1.99 0.00 -0.85 -2.06 121.76 122.86 3dll s ALA 61 Ca 0.21 0.22 -0.29 0.00 0.00 0.00 0.00 51.96 52.10 3dll s ALA 61 Cb -0.11 -3.24 -0.26 0.00 0.00 0.00 0.00 23.12 19.51 3dll s ALA 61 CO 0.13 -0.46 0.77 -0.07 0.00 0.00 0.00 175.76 176.13 3dll h LEU 62 N 7.69 -0.00 0.00 0.00 -0.00 0.32 1.66 115.31 124.98 3dll h LEU 62 Ca -0.34 -0.99 0.00 0.00 -0.00 0.00 0.00 57.88 56.55 3dll h LEU 62 Cb 1.16 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.82 3dll h LEU 62 CO 0.81 0.99 0.00 -1.54 -0.00 0.00 0.00 178.44 178.70 3dll n SER 63 N -4.61 0.00 -3.31 -0.43 3.41 -1.18 -4.36 113.62 103.13 3dll n SER 63 Ca -0.10 0.00 -0.09 0.00 -0.26 0.00 0.00 58.87 58.42 3dll n SER 63 Cb 0.47 0.00 -0.00 0.00 -0.26 0.00 0.00 64.21 64.42 3dll n SER 63 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 3dll s ASP 64 N -1.17 0.07 0.00 4.04 1.11 -1.26 -3.64 116.67 115.82 3dll s ASP 64 Ca 0.00 -1.05 0.00 0.00 0.18 0.00 0.00 52.55 51.68 3dll s ASP 64 Cb 0.00 0.77 0.00 0.00 1.07 0.00 0.00 42.92 44.76 3dll s ASP 64 CO 0.00 -1.49 0.00 0.61 1.18 0.00 0.00 175.17 175.47 3dll n GLY 65 N -0.50 0.23 2.69 0.21 0.00 -1.26 -4.49 105.19 102.07 3dll n GLY 65 Ca -0.05 -1.35 -0.28 0.00 0.00 0.00 0.00 46.02 44.34 3dll n GLY 65 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3dll s LYS 66 N 0.00 0.51 -0.08 1.61 2.20 0.03 -3.74 119.74 120.28 3dll s LYS 66 Ca 0.00 -0.48 -0.38 0.00 -0.36 0.00 0.00 55.97 54.74 3dll s LYS 66 Cb 0.00 -1.93 -0.16 0.00 -1.51 0.00 0.00 37.83 34.23 3dll s LYS 66 CO 0.00 -0.75 1.52 0.28 -0.36 0.00 0.00 175.35 176.04 3dll n VAL 67 N 5.08 0.14 -3.83 4.02 0.31 -0.93 -2.90 118.33 120.22 3dll n VAL 67 Ca -0.07 -0.03 -0.23 0.00 -0.01 0.00 0.00 64.34 64.00 3dll n VAL 67 Cb 0.46 -1.00 -0.17 0.00 -0.91 0.00 0.00 33.84 32.22 3dll n VAL 67 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 3dll s VAL 68 N 1.87 0.49 0.16 2.52 1.01 -0.90 -2.49 120.40 123.06 3dll s VAL 68 Ca 0.91 0.04 -0.17 0.00 0.00 0.00 0.00 61.98 62.75 3dll s VAL 68 Cb -1.01 -0.62 -0.07 0.00 0.00 0.00 0.00 36.38 34.68 3dll s VAL 68 CO 0.55 0.27 0.62 -0.36 0.00 0.00 0.00 175.10 176.19 3dll s PHE 69 N 1.83 3.66 -0.12 5.22 0.40 -1.26 -1.85 117.98 125.86 3dll s PHE 69 Ca 0.03 1.23 -0.01 0.00 -0.60 0.00 0.00 56.93 57.59 3dll s PHE 69 Cb -0.12 -2.49 0.04 0.00 0.51 0.00 0.00 43.02 40.95 3dll s PHE 69 CO -0.05 0.42 -0.02 0.42 0.70 0.00 0.00 175.22 176.69 3dll s ILE 70 N -1.42 0.67 -0.73 0.64 1.01 0.44 -4.97 121.20 116.83 3dll s ILE 70 Ca 0.38 -0.22 -0.21 0.00 0.00 0.00 0.00 60.65 60.60 3dll s ILE 70 Cb -0.17 -0.86 0.09 0.00 0.01 0.00 0.00 42.46 41.53 3dll s ILE 70 CO 0.20 0.18 0.99 0.21 0.00 0.00 0.00 174.94 176.52 3dll s ASN 71 N 1.84 6.30 -1.27 3.58 3.84 -1.26 -1.71 114.94 126.26 3dll s ASN 71 Ca 0.03 -1.33 -0.08 0.00 0.21 0.00 0.00 52.86 51.68 3dll s ASN 71 Cb -0.14 -2.40 0.17 0.00 -0.55 0.00 0.00 41.25 38.33 3dll s ASN 71 CO -0.07 -1.31 1.91 0.29 -2.79 0.00 0.00 177.10 175.13 3dll n LYS 72 N 7.26 3.80 -2.30 0.43 4.76 -1.26 -4.75 118.16 126.11 3dll n LYS 72 Ca 0.04 -3.60 -0.09 0.00 -2.87 0.00 0.00 58.31 51.79 3dll n LYS 72 Cb 0.46 -2.86 -0.02 0.00 -1.84 0.00 0.00 35.03 30.78 3dll n LYS 72 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3dll n GLY 73 N 2.55 -0.30 6.80 0.72 0.00 -1.26 -4.19 105.19 109.51 3dll n GLY 73 Ca 0.41 0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.45 3dll n GLY 73 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3dll n LYS 74 N -1.96 0.00 0.00 1.61 4.76 -1.26 -4.88 118.16 116.43 3dll n LYS 74 Ca 0.02 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.46 3dll n LYS 74 Cb 0.31 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.50 3dll n LYS 74 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3dll n GLY 75 N 0.00 0.38 3.05 0.72 0.00 -1.26 -4.28 105.19 103.80 3dll n GLY 75 Ca 0.00 0.70 -0.15 0.00 0.00 0.00 0.00 46.02 46.56 3dll n GLY 75 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dll s ALA 76 N -0.91 0.66 0.38 4.61 0.00 -1.26 -4.91 121.76 120.32 3dll s ALA 76 Ca 0.00 -0.61 0.08 0.00 0.00 0.00 0.00 51.96 51.43 3dll s ALA 76 Cb 0.00 -0.06 -0.03 0.00 0.00 0.00 0.00 23.12 23.03 3dll s ALA 76 CO 0.00 0.07 0.25 1.03 0.00 0.00 0.00 175.76 177.12 3dll s ARG 77 N -1.02 2.45 -0.03 0.00 1.81 -0.38 -4.04 118.95 117.74 3dll s ARG 77 Ca -0.04 -1.57 0.00 0.00 -1.72 0.00 0.00 55.73 52.40 3dll s ARG 77 Cb -0.07 -2.25 0.03 0.00 -0.45 0.00 0.00 34.95 32.21 3dll s ARG 77 CO 0.00 -0.04 0.01 -0.06 -0.68 0.00 0.00 175.30 174.53 3dll s PHE 78 N -2.46 0.30 -0.19 -0.53 0.40 -0.69 0.22 117.98 115.02 3dll s PHE 78 Ca 0.42 0.01 -0.02 0.00 -0.60 0.00 0.00 56.93 56.75 3dll s PHE 78 Cb -0.02 -0.43 0.06 0.00 0.51 0.00 0.00 43.02 43.14 3dll s PHE 78 CO 0.25 -0.14 -0.00 0.42 0.70 0.00 0.00 175.22 176.45 3dll s ILE 79 N 1.15 0.85 0.51 0.64 1.01 -1.26 0.17 121.20 124.27 3dll s ILE 79 Ca -0.08 -0.69 0.04 0.00 0.00 0.00 0.00 60.65 59.91 3dll s ILE 79 Cb -0.13 -1.23 -0.00 0.00 0.01 0.00 0.00 42.46 41.11 3dll s ILE 79 CO -0.02 -0.10 0.18 -0.44 0.00 0.00 0.00 174.94 174.56 3dll s SER 80 N 1.72 4.36 -0.54 3.58 0.01 -0.77 -3.19 113.70 118.87 3dll s SER 80 Ca -0.02 -1.41 0.04 0.00 1.31 0.00 0.00 55.95 55.87 3dll s SER 80 Cb -0.17 0.32 0.15 0.00 0.21 0.00 0.00 66.02 66.53 3dll s SER 80 CO -0.07 -0.90 0.34 -0.63 0.41 0.00 0.00 173.24 172.38 3dll s ILE 81 N -2.79 2.05 1.06 1.44 -1.09 0.19 -2.12 121.20 119.94 3dll s ILE 81 Ca 0.22 -3.30 -0.13 0.00 -2.23 0.00 0.00 60.65 55.21 3dll s ILE 81 Cb 0.01 -2.40 0.17 0.00 -1.58 0.00 0.00 42.46 38.66 3dll s ILE 81 CO 0.13 -0.94 0.73 -0.62 -1.23 0.00 0.00 174.94 173.00 3dll n GLU 82 N 2.86 -1.38 -2.58 2.79 1.02 -1.14 -4.67 120.64 117.54 3dll n GLU 82 Ca 0.14 -0.36 -0.12 0.00 -0.02 0.00 0.00 57.16 56.79 3dll n GLU 82 Cb 0.35 -2.07 0.00 0.00 -0.02 0.00 0.00 31.44 29.71 3dll n GLU 82 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3dll n ALA 83 N -4.43 0.42 -2.34 0.62 0.00 -1.26 -0.79 120.51 112.73 3dll n ALA 83 Ca 0.05 -1.07 0.00 0.00 0.00 0.00 0.00 53.44 52.43 3dll n ALA 83 Cb 0.55 0.43 0.00 0.00 0.00 0.00 0.00 19.45 20.43 3dll n ALA 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3dll n ALA 84 N -2.46 0.00 0.00 0.00 0.00 -1.26 -4.57 120.51 112.21 3dll n ALA 84 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.36 3dll n ALA 84 Cb 0.30 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.75 3dll n ALA 84 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54