#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dir n SER 2 N 0.00 3.98 -4.65 1.61 7.64 -1.26 -4.97 113.62 115.97 2dir n SER 2 Ca 0.00 0.87 -0.26 0.00 1.01 0.00 0.00 58.87 60.49 2dir n SER 2 Cb 0.00 -1.50 -0.09 0.00 -1.01 0.00 0.00 64.21 61.61 2dir n SER 2 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2dir s SER 3 N 4.65 4.08 -0.39 6.43 1.04 -1.26 -5.08 113.70 123.17 2dir s SER 3 Ca 0.91 -1.18 0.11 0.00 0.48 0.00 0.00 55.95 56.27 2dir s SER 3 Cb -0.48 -0.45 0.40 0.00 0.10 0.00 0.00 66.02 65.59 2dir s SER 3 CO 0.44 -0.39 1.23 0.61 0.98 0.00 0.00 173.24 176.10 2dir n GLY 4 N -1.02 1.37 3.59 7.32 0.00 -1.26 -5.10 105.19 110.10 2dir n GLY 4 Ca -0.04 -0.40 -0.43 0.00 0.00 0.00 0.00 46.02 45.16 2dir n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dir s SER 5 N -1.65 6.17 -0.54 1.61 1.04 -1.26 -4.88 113.70 114.19 2dir s SER 5 Ca 0.24 0.78 0.02 0.00 0.48 0.00 0.00 55.95 57.47 2dir s SER 5 Cb 0.40 -2.54 0.44 0.00 0.10 0.00 0.00 66.02 64.42 2dir s SER 5 CO -0.06 -1.57 1.67 -1.54 0.98 0.00 0.00 173.24 172.72 2dir n SER 6 N 9.38 6.50 -2.69 7.02 3.41 -1.26 -4.98 113.62 131.00 2dir n SER 6 Ca 0.17 -3.78 -0.13 0.00 -0.26 0.00 0.00 58.87 54.88 2dir n SER 6 Cb 0.48 -0.73 0.01 0.00 -0.26 0.00 0.00 64.21 63.71 2dir n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dir n GLY 7 N -0.76 0.06 2.62 5.00 0.00 -1.26 -4.94 105.19 105.92 2dir n GLY 7 Ca 0.53 0.37 -0.28 0.00 0.00 0.00 0.00 46.02 46.64 2dir n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2dir s LYS 8 N -1.22 1.32 0.14 1.61 -0.14 -1.26 -4.98 119.74 115.21 2dir s LYS 8 Ca 0.12 -2.22 -0.17 0.00 -1.36 0.00 0.00 55.97 52.34 2dir s LYS 8 Cb -0.01 -2.15 -0.01 0.00 -1.68 0.00 0.00 37.83 33.98 2dir s LYS 8 CO 0.28 -1.26 1.79 0.00 -0.76 0.00 0.00 175.35 175.40 2dir h ALA 9 N 6.18 0.39 -0.73 5.17 0.00 -1.98 -2.30 119.26 125.99 2dir h ALA 9 Ca 0.11 -0.01 0.25 0.00 0.00 0.00 0.00 54.91 55.27 2dir h ALA 9 Cb 0.89 -0.09 -0.13 0.00 0.00 0.00 0.00 17.79 18.46 2dir h ALA 9 CO 0.47 -0.18 0.20 0.34 0.00 0.00 0.00 179.25 180.08 2dir n PHE 10 N -4.91 0.66 -0.06 0.00 -0.00 -1.26 0.27 117.46 112.16 2dir n PHE 10 Ca -0.01 0.88 -0.18 0.00 -0.00 0.00 0.00 57.45 58.14 2dir n PHE 10 Cb 0.05 -1.17 -0.13 0.00 -0.00 0.00 0.00 39.48 38.23 2dir n PHE 10 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.76 176.69 2dir h LEU 11 N 0.00 0.11 -0.79 -2.13 3.38 -1.91 -2.87 115.31 111.11 2dir h LEU 11 Ca 0.53 -0.83 0.18 0.00 0.09 0.00 0.00 57.88 57.85 2dir h LEU 11 Cb 1.27 -0.04 -0.14 0.00 0.09 0.00 0.00 40.66 41.85 2dir h LEU 11 CO -0.63 1.28 0.00 -0.33 0.09 0.00 0.00 178.44 178.85 2dir h GLU 12 N -0.82 0.09 -0.08 1.13 4.39 0.37 -0.22 114.58 119.44 2dir h GLU 12 Ca -0.16 -0.01 -0.06 0.00 0.34 0.00 0.00 59.36 59.47 2dir h GLU 12 Cb 1.28 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.91 2dir h GLU 12 CO -0.04 0.06 -0.20 -0.44 -1.16 0.00 0.00 179.01 177.24 2dir h ASP 13 N 0.09 0.32 -1.09 1.42 5.19 -0.83 -3.02 116.42 118.50 2dir h ASP 13 Ca 0.43 -0.58 0.30 0.00 -0.62 0.00 0.00 57.03 56.56 2dir h ASP 13 Cb 0.78 -0.09 -0.08 0.00 0.18 0.00 0.00 39.33 40.11 2dir h ASP 13 CO -0.70 0.84 0.72 -0.03 -3.12 0.00 0.00 179.24 176.96 2dir h MET 14 N -0.20 0.26 0.05 3.56 1.85 -0.90 -1.64 114.93 117.91 2dir h MET 14 Ca -0.00 -0.02 -0.00 0.00 -0.61 0.00 0.00 59.70 59.07 2dir h MET 14 Cb 0.80 -0.06 0.00 0.00 0.43 0.00 0.00 31.60 32.77 2dir h MET 14 CO 0.04 0.17 -0.02 0.87 -0.40 0.00 0.00 176.91 177.57 2dir h LYS 15 N 0.27 -0.06 -1.16 0.39 1.57 -1.06 0.83 116.57 117.34 2dir h LYS 15 Ca 0.60 0.00 0.34 0.00 -1.87 0.00 0.00 60.65 59.72 2dir h LYS 15 Cb 1.77 0.01 -0.05 0.00 0.08 0.00 0.00 32.23 34.05 2dir h LYS 15 CO -0.23 -0.04 1.25 1.57 -0.57 0.00 0.00 179.45 181.43 2dir h LYS 16 N -0.14 0.00 0.00 3.15 2.10 -1.34 0.43 116.57 120.77 2dir h LYS 16 Ca -0.01 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.64 2dir h LYS 16 Cb 0.05 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.38 2dir h LYS 16 CO 0.01 0.00 -0.09 -0.92 -2.00 0.00 0.00 179.45 176.45 2dir h TYR 17 N 0.00 0.00 -1.47 0.07 3.20 -1.32 -3.23 116.97 114.22 2dir h TYR 17 Ca 0.55 0.00 0.43 0.00 3.14 0.00 0.00 58.73 62.85 2dir h TYR 17 Cb 3.05 0.00 -0.06 0.00 1.54 0.00 0.00 36.73 41.26 2dir h TYR 17 CO 0.00 0.00 1.24 0.00 -1.64 0.00 0.00 178.16 177.76 2dir h ALA 18 N -1.80 3.38 -0.15 1.82 0.00 0.30 0.40 119.26 123.20 2dir h ALA 18 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2dir h ALA 18 Cb 0.09 0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.99 2dir h ALA 18 CO 0.00 -2.00 0.00 -1.91 0.00 0.00 0.00 179.25 175.34 2dir n GLU 19 N -3.69 0.00 0.03 0.00 2.13 0.03 -1.18 120.64 117.97 2dir n GLU 19 Ca 0.33 0.47 0.02 0.00 0.66 0.00 0.00 57.16 58.64 2dir n GLU 19 Cb 1.69 -1.10 0.09 0.00 0.27 0.00 0.00 31.44 32.39 2dir n GLU 19 CO 0.00 0.00 0.00 -2.37 -0.41 0.00 0.00 177.13 174.35 2dir n THR 20 N -1.92 1.77 -0.04 6.31 5.66 -0.57 0.58 114.28 126.07 2dir n THR 20 Ca 0.00 0.54 -0.18 0.00 -3.05 0.00 0.00 64.05 61.36 2dir n THR 20 Cb 0.00 -1.54 -0.14 0.00 -1.55 0.00 0.00 70.33 67.10 2dir n THR 20 CO 0.00 0.00 0.00 0.33 -3.05 0.00 0.00 175.07 172.35 2dir n PHE 21 N -1.60 0.82 1.11 1.09 7.35 0.13 -4.22 117.46 122.14 2dir n PHE 21 Ca -0.00 0.20 0.12 0.00 -0.76 0.00 0.00 57.45 57.01 2dir n PHE 21 Cb 0.03 -1.12 0.20 0.00 0.35 0.00 0.00 39.48 38.94 2dir n PHE 21 CO 0.00 0.00 0.00 1.28 -0.76 0.00 0.00 176.76 177.28 2dir n LEU 22 N -3.30 2.65 -0.16 -2.13 4.77 -0.31 -4.51 117.00 114.01 2dir n LEU 22 Ca -0.33 -0.89 -0.10 0.00 -0.03 0.00 0.00 56.01 54.66 2dir n LEU 22 Cb 1.04 -0.01 -0.05 0.00 -2.33 0.00 0.00 43.42 42.08 2dir n LEU 22 CO 0.39 0.44 0.56 -0.33 -1.33 0.00 0.00 177.39 177.12 2dir h GLU 23 N 4.14 -0.29 0.00 3.23 5.08 -0.03 1.54 114.58 128.25 2dir h GLU 23 Ca 0.00 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 2dir h GLU 23 Cb 0.88 0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.19 2dir h GLU 23 CO 0.00 -0.19 0.00 -0.35 -1.00 0.00 0.00 179.01 177.47 2dir n PRO 24 N -5.40 0.16 -0.01 2.33 -0.04 -1.26 0.32 135.00 131.09 2dir n PRO 24 Ca -0.00 0.17 0.08 0.00 -0.04 0.00 0.00 63.50 63.71 2dir n PRO 24 Cb 0.35 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.19 2dir n PRO 24 CO 0.00 0.00 0.00 0.91 -0.04 0.00 0.00 175.50 176.37 2dir n TRP 25 N -1.34 0.00 0.00 0.54 8.01 0.19 -4.59 117.44 120.25 2dir n TRP 25 Ca 0.06 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.25 2dir n TRP 25 Cb 0.13 -0.35 0.00 0.00 -2.01 0.00 0.00 31.31 29.08 2dir n TRP 25 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 177.69 177.87 2dir n PHE 26 N -2.02 0.00 -2.55 -5.99 3.72 0.47 -4.44 117.46 106.65 2dir n PHE 26 Ca -0.03 0.00 -0.41 0.00 -0.05 0.00 0.00 57.45 56.96 2dir n PHE 26 Cb 0.39 0.09 -0.04 0.00 -0.94 0.00 0.00 39.48 38.98 2dir n PHE 26 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 176.76 176.92 2dir s LYS 27 N -1.73 4.60 0.91 -1.08 2.20 0.94 -4.01 119.74 121.57 2dir s LYS 27 Ca 0.00 1.68 -0.17 0.00 -0.36 0.00 0.00 55.97 57.12 2dir s LYS 27 Cb 0.00 -3.30 -0.13 0.00 -1.51 0.00 0.00 37.83 32.90 2dir s LYS 27 CO 0.00 0.08 -0.53 0.00 -0.36 0.00 0.00 175.35 174.54 2dir n ALA 28 N 2.53 -4.69 0.84 3.13 0.00 -1.26 -2.34 120.51 118.72 2dir n ALA 28 Ca 0.03 -0.57 0.08 0.00 0.00 0.00 0.00 53.44 52.98 2dir n ALA 28 Cb 0.47 -1.28 0.42 0.00 0.00 0.00 0.00 19.45 19.06 2dir n ALA 28 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2dir n PRO 29 N 1.78 0.35 -2.78 0.00 -0.04 -1.26 -4.83 135.00 128.21 2dir n PRO 29 Ca 0.01 0.07 -0.33 0.00 -0.04 0.00 0.00 63.50 63.21 2dir n PRO 29 Cb 0.54 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.44 2dir n PRO 29 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 2dir s ASN 30 N -2.28 6.88 -0.06 3.54 0.01 -0.99 -5.06 114.94 116.99 2dir s ASN 30 Ca 0.19 1.73 -0.32 0.00 -0.71 0.00 0.00 52.86 53.76 2dir s ASN 30 Cb 0.10 -2.55 0.12 0.00 0.41 0.00 0.00 41.25 39.34 2dir s ASN 30 CO 0.20 -0.40 1.20 -1.59 -1.51 0.00 0.00 177.10 175.00 2dir s LYS 31 N -3.12 0.47 0.00 -0.60 -2.85 -1.26 -3.88 119.74 108.51 2dir s LYS 31 Ca 0.62 -0.23 0.00 0.00 -1.00 0.00 0.00 55.97 55.36 2dir s LYS 31 Cb -0.11 0.18 0.00 0.00 -2.06 0.00 0.00 37.83 35.85 2dir s LYS 31 CO 0.15 -0.21 0.00 0.41 0.10 0.00 0.00 175.35 175.79 2dir n GLY 32 N -0.32 0.27 3.89 0.59 0.00 -1.26 -4.98 105.19 103.37 2dir n GLY 32 Ca -0.05 -1.34 -0.21 0.00 0.00 0.00 0.00 46.02 44.42 2dir n GLY 32 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2dir s THR 33 N -3.74 2.61 0.05 2.61 -4.23 -1.26 -1.32 115.64 110.36 2dir s THR 33 Ca 0.00 -1.33 -0.28 0.00 -1.18 0.00 0.00 61.69 58.91 2dir s THR 33 Cb 0.00 -2.94 0.09 0.00 1.34 0.00 0.00 72.50 70.99 2dir s THR 33 CO 0.00 0.00 0.97 0.72 -0.54 0.00 0.00 174.62 175.77 2dir s PHE 34 N -2.49 -0.22 -0.10 3.99 -0.71 -1.15 -1.75 117.98 115.55 2dir s PHE 34 Ca 0.48 0.02 -0.02 0.00 -1.04 0.00 0.00 56.93 56.37 2dir s PHE 34 Cb -0.03 0.58 0.04 0.00 -1.21 0.00 0.00 43.02 42.39 2dir s PHE 34 CO 0.28 -0.62 0.03 1.14 -1.34 0.00 0.00 175.22 174.70 2dir s GLN 35 N -3.10 0.47 0.22 1.99 -2.07 -0.10 0.41 119.66 117.49 2dir s GLN 35 Ca 0.09 0.01 -0.16 0.00 -1.82 0.00 0.00 55.36 53.47 2dir s GLN 35 Cb -0.01 -1.25 -0.08 0.00 -1.09 0.00 0.00 33.01 30.58 2dir s GLN 35 CO -0.04 -0.42 0.66 0.42 -1.32 0.00 0.00 175.29 174.59 2dir s ILE 36 N 1.99 4.71 -0.07 3.63 1.01 -1.26 -1.74 121.20 129.47 2dir s ILE 36 Ca 0.03 1.01 -0.03 0.00 0.00 0.00 0.00 60.65 61.66 2dir s ILE 36 Cb -0.14 -3.75 0.04 0.00 0.01 0.00 0.00 42.46 38.62 2dir s ILE 36 CO -0.06 0.12 0.15 -0.69 0.00 0.00 0.00 174.94 174.47 2dir s VAL 37 N -1.62 -0.11 -0.48 2.92 1.01 -1.04 -4.98 120.40 116.11 2dir s VAL 37 Ca 0.44 0.23 -0.22 0.00 0.00 0.00 0.00 61.98 62.42 2dir s VAL 37 Cb -0.14 -0.26 0.03 0.00 0.00 0.00 0.00 36.38 36.01 2dir s VAL 37 CO 0.20 0.10 0.78 -0.47 0.00 0.00 0.00 175.10 175.71 2dir s TYR 38 N 1.50 2.96 -0.34 5.22 5.04 -1.26 -1.47 117.35 129.00 2dir s TYR 38 Ca -0.06 -0.02 -0.03 0.00 -2.44 0.00 0.00 57.07 54.53 2dir s TYR 38 Cb -0.12 -3.71 0.07 0.00 0.35 0.00 0.00 41.96 38.55 2dir s TYR 38 CO -0.06 -1.08 0.08 0.15 -1.34 0.00 0.00 175.55 173.30 2dir s LYS 39 N 3.30 2.30 0.03 4.97 1.02 -0.74 -4.99 119.74 125.63 2dir s LYS 39 Ca 0.27 -1.44 0.00 0.00 0.02 0.00 0.00 55.97 54.82 2dir s LYS 39 Cb -0.14 -3.34 -0.02 0.00 -0.52 0.00 0.00 37.83 33.81 2dir s LYS 39 CO 0.20 -0.77 -0.04 -1.54 -0.92 0.00 0.00 175.35 172.28 2dir s SER 40 N 1.44 0.37 0.85 2.83 1.04 -1.26 -2.78 113.70 116.19 2dir s SER 40 Ca -0.00 -0.61 -0.14 0.00 0.48 0.00 0.00 55.95 55.68 2dir s SER 40 Cb -0.21 0.11 0.02 0.00 0.10 0.00 0.00 66.02 66.04 2dir s SER 40 CO -0.02 -0.35 0.56 -1.14 0.98 0.00 0.00 173.24 173.27 2dir n ARG 41 N 1.28 -0.02 -0.37 4.02 0.63 -1.26 -4.83 116.66 116.11 2dir n ARG 41 Ca -0.22 0.05 0.02 0.00 -0.92 0.00 0.00 57.85 56.78 2dir n ARG 41 Cb 0.56 -1.92 0.09 0.00 0.45 0.00 0.00 32.46 31.63 2dir n ARG 41 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 2dir n ASN 42 N -1.21 -0.51 -4.55 6.15 3.02 -1.26 -3.60 115.26 113.30 2dir n ASN 42 Ca 0.09 1.72 -0.39 0.00 -0.03 0.00 0.00 54.58 55.96 2dir n ASN 42 Cb 0.52 -0.45 -0.03 0.00 -0.61 0.00 0.00 39.78 39.21 2dir n ASN 42 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 2dir s ASN 43 N -5.31 5.83 -0.17 6.41 -0.87 -1.26 -4.97 114.94 114.59 2dir s ASN 43 Ca -0.14 -0.27 -0.22 0.00 -1.57 0.00 0.00 52.86 50.65 2dir s ASN 43 Cb 0.23 -2.55 -0.02 0.00 -0.02 0.00 0.00 41.25 38.89 2dir s ASN 43 CO 0.74 -2.05 0.68 -0.94 -2.57 0.00 0.00 177.10 172.96 2dir s SER 44 N 5.58 6.78 -0.26 -1.22 1.04 -1.24 -4.94 113.70 119.44 2dir s SER 44 Ca 0.49 0.95 -0.10 0.00 0.48 0.00 0.00 55.95 57.77 2dir s SER 44 Cb -0.09 -2.38 -0.12 0.00 0.10 0.00 0.00 66.02 63.53 2dir s SER 44 CO 0.14 -0.28 -0.31 0.00 0.98 0.00 0.00 173.24 173.77 2dir n HIS 45 N 4.91 0.00 -3.41 5.02 1.44 -1.26 -5.00 115.22 116.92 2dir n HIS 45 Ca -0.00 0.00 -0.28 0.00 -2.01 0.00 0.00 57.72 55.42 2dir n HIS 45 Cb 0.50 -0.95 -0.03 0.00 0.12 0.00 0.00 29.99 29.63 2dir n HIS 45 CO 0.00 0.00 0.00 0.54 -2.81 0.00 0.00 176.34 174.07 2dir s VAL 46 N -2.48 5.06 0.67 0.61 0.11 -1.26 -5.05 120.40 118.05 2dir s VAL 46 Ca -0.36 -0.02 -0.17 0.00 -2.93 0.00 0.00 61.98 58.50 2dir s VAL 46 Cb 0.13 -3.73 -0.05 0.00 -1.53 0.00 0.00 36.38 31.20 2dir s VAL 46 CO 0.49 -0.29 0.58 -0.46 -3.33 0.00 0.00 175.10 172.09 2dir n ASN 47 N -0.87 -0.91 -0.11 3.54 6.94 -1.26 -4.96 115.26 117.64 2dir n ASN 47 Ca -0.02 0.65 -0.18 0.00 -0.02 0.00 0.00 54.58 55.01 2dir n ASN 47 Cb 0.54 -1.23 -0.09 0.00 -2.36 0.00 0.00 39.78 36.64 2dir n ASN 47 CO 0.00 0.00 0.00 -1.14 -1.03 0.00 0.00 177.26 175.09 2dir n ARG 48 N -0.60 0.50 0.15 -3.83 0.63 -1.26 -4.39 116.66 107.85 2dir n ARG 48 Ca 0.11 0.15 -0.13 0.00 -0.92 0.00 0.00 57.85 57.07 2dir n ARG 48 Cb 0.49 -1.36 -0.08 0.00 0.45 0.00 0.00 32.46 31.96 2dir n ARG 48 CO 0.00 0.00 0.00 0.93 -2.51 0.00 0.00 177.63 176.05 2dir h GLU 49 N -0.30 -0.39 -0.91 -0.14 5.08 -1.99 -2.81 114.58 113.11 2dir h GLU 49 Ca -0.50 0.03 0.25 0.00 -1.00 0.00 0.00 59.36 58.14 2dir h GLU 49 Cb 1.63 0.09 -0.16 0.00 0.50 0.00 0.00 28.75 30.81 2dir h GLU 49 CO -0.17 -0.06 0.16 0.93 -1.00 0.00 0.00 179.01 178.87 2dir h GLU 50 N -0.83 0.11 0.91 2.33 4.39 -1.98 0.24 114.58 119.74 2dir h GLU 50 Ca -0.04 -0.01 -0.04 0.00 0.34 0.00 0.00 59.36 59.61 2dir h GLU 50 Cb 0.52 -0.03 0.01 0.00 -0.10 0.00 0.00 28.75 29.15 2dir h GLU 50 CO 0.07 0.07 -0.44 0.28 -1.16 0.00 0.00 179.01 177.84 2dir h VAL 51 N 0.11 0.06 0.08 3.13 2.07 -1.76 -0.94 116.25 119.01 2dir h VAL 51 Ca 0.57 -0.06 -0.00 0.00 0.82 0.00 0.00 66.70 68.03 2dir h VAL 51 Cb 1.19 0.07 -0.00 0.00 -1.52 0.00 0.00 31.29 31.03 2dir h VAL 51 CO -0.75 0.00 -0.06 0.40 0.02 0.00 0.00 177.57 177.18 2dir h ILE 52 N -1.27 0.00 -0.77 4.57 2.04 -0.89 0.29 117.51 121.47 2dir h ILE 52 Ca -0.12 0.00 0.07 0.00 1.00 0.00 0.00 64.86 65.81 2dir h ILE 52 Cb 0.94 0.00 -0.10 0.00 -0.74 0.00 0.00 36.82 36.92 2dir h ILE 52 CO 0.20 0.00 -0.51 0.03 0.00 0.00 0.00 178.15 177.88 2dir h ARG 53 N -0.13 -0.06 -0.05 2.37 -0.00 -0.72 -1.39 114.38 114.40 2dir h ARG 53 Ca -0.01 0.00 0.02 0.00 -0.50 0.00 0.00 59.98 59.49 2dir h ARG 53 Cb 0.10 0.01 -0.04 0.00 0.00 0.00 0.00 29.97 30.05 2dir h ARG 53 CO 0.01 -0.04 -0.31 1.49 0.00 0.00 0.00 179.97 181.11 2dir h GLU 54 N -0.07 -0.34 -0.88 0.04 4.57 -1.17 0.01 114.58 116.74 2dir h GLU 54 Ca 0.12 0.02 0.36 0.00 -1.18 0.00 0.00 59.36 58.69 2dir h GLU 54 Cb 0.39 0.08 -0.16 0.00 -0.16 0.00 0.00 28.75 28.90 2dir h GLU 54 CO -0.76 -0.23 0.44 1.28 -1.18 0.00 0.00 179.01 178.56 2dir n LEU 55 N -4.22 0.27 -0.04 1.64 4.77 0.09 0.12 117.00 119.64 2dir n LEU 55 Ca -0.04 1.46 -0.14 0.00 -0.03 0.00 0.00 56.01 57.27 2dir n LEU 55 Cb 0.22 -0.70 -0.09 0.00 -2.33 0.00 0.00 43.42 40.52 2dir n LEU 55 CO 0.05 -1.63 0.55 0.00 -1.33 0.00 0.00 177.39 175.04 2dir h ALA 56 N 1.76 0.11 -0.25 -1.18 0.00 -0.07 -2.74 119.26 116.89 2dir h ALA 56 Ca 0.73 -0.35 0.07 0.00 0.00 0.00 0.00 54.91 55.37 2dir h ALA 56 Cb 1.91 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.67 2dir h ALA 56 CO -0.69 0.02 0.35 0.78 0.00 0.00 0.00 179.25 179.71 2dir h GLY 57 N -0.26 0.00 0.52 0.00 0.00 0.27 -1.37 103.07 102.24 2dir h GLY 57 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 47.33 47.10 2dir h GLY 57 CO 0.03 0.00 -1.13 -2.22 0.00 0.00 0.00 176.54 173.22 2dir h ILE 58 N 0.00 1.22 -0.42 2.60 2.04 -1.23 -3.25 117.51 118.47 2dir h ILE 58 Ca 0.12 -2.42 0.09 0.00 1.00 0.00 0.00 64.86 63.64 2dir h ILE 58 Cb 0.82 2.87 -0.09 0.00 -0.74 0.00 0.00 36.82 39.68 2dir h ILE 58 CO -0.00 0.68 -0.28 0.58 0.00 0.00 0.00 178.15 179.12 2dir h VAL 59 N -0.42 0.28 -0.85 1.67 2.07 -0.94 0.32 116.25 118.38 2dir h VAL 59 Ca -0.24 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.31 2dir h VAL 59 Cb 1.65 0.28 -0.05 0.00 -1.52 0.00 0.00 31.29 31.65 2dir h VAL 59 CO 0.07 0.00 0.56 0.00 0.02 0.00 0.00 177.57 178.21 2dir h THR 61 N 1.09 0.71 0.14 0.00 2.02 -0.97 -2.89 112.91 113.01 2dir h THR 61 Ca 0.33 -0.24 -0.01 0.00 0.77 0.00 0.00 66.41 67.26 2dir h THR 61 Cb -0.04 -0.06 0.00 0.00 -1.74 0.00 0.00 68.15 66.31 2dir h THR 61 CO -0.09 0.13 -0.07 -0.07 0.37 0.00 0.00 175.52 175.80 2dir h LEU 62 N 0.71 -0.16 -7.97 2.58 3.38 -1.04 -3.43 115.31 109.38 2dir h LEU 62 Ca 0.54 0.01 -0.62 0.00 0.09 0.00 0.00 57.88 57.90 2dir h LEU 62 Cb 0.82 0.04 -0.35 0.00 0.09 0.00 0.00 40.66 41.26 2dir h LEU 62 CO -0.38 -0.11 -0.84 0.21 0.09 0.00 0.00 178.44 177.40 2dir s ASN 63 N -2.30 2.77 0.62 -0.43 3.84 -1.09 -4.72 114.94 113.63 2dir s ASN 63 Ca -0.03 -0.52 0.39 0.00 0.21 0.00 0.00 52.86 52.92 2dir s ASN 63 Cb 0.00 -1.25 2.14 0.00 -0.55 0.00 0.00 41.25 41.59 2dir s ASN 63 CO 0.08 -0.02 2.20 0.28 -2.79 0.00 0.00 177.10 176.85 2dir h SER 64 N 7.86 0.00 1.21 -4.21 0.02 -1.83 0.12 113.55 116.71 2dir h SER 64 Ca -0.38 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.54 2dir h SER 64 Cb 1.15 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.68 2dir h SER 64 CO 0.55 0.00 -0.15 -0.33 -1.14 0.00 0.00 176.83 175.76 2dir h GLU 65 N 0.00 0.00 -6.85 3.45 4.39 -1.94 -3.44 114.58 110.19 2dir h GLU 65 Ca 0.00 0.00 -0.50 0.00 0.34 0.00 0.00 59.36 59.20 2dir h GLU 65 Cb 0.12 0.00 0.03 0.00 -0.10 0.00 0.00 28.75 28.80 2dir h GLU 65 CO 0.00 0.15 0.50 -0.80 -1.16 0.00 0.00 179.01 177.69 2dir s ASN 66 N -6.08 7.04 -0.12 1.42 0.01 0.42 -4.28 114.94 113.34 2dir s ASN 66 Ca 0.02 2.32 -0.05 0.00 -0.71 0.00 0.00 52.86 54.44 2dir s ASN 66 Cb 0.09 -2.62 0.05 0.00 0.41 0.00 0.00 41.25 39.18 2dir s ASN 66 CO 0.63 -0.31 0.25 -0.75 -1.51 0.00 0.00 177.10 175.41 2dir s LYS 67 N -1.73 0.18 -0.25 -0.60 2.20 -0.44 -4.72 119.74 114.38 2dir s LYS 67 Ca 0.48 0.63 -0.29 0.00 -0.36 0.00 0.00 55.97 56.43 2dir s LYS 67 Cb -0.32 -0.09 -0.01 0.00 -1.51 0.00 0.00 37.83 35.91 2dir s LYS 67 CO 0.41 -0.22 1.34 0.54 -0.36 0.00 0.00 175.35 177.06 2dir s VAL 68 N 1.78 4.11 0.05 4.02 0.11 -1.26 -2.95 120.40 126.25 2dir s VAL 68 Ca -0.05 1.27 0.05 0.00 -2.93 0.00 0.00 61.98 60.33 2dir s VAL 68 Cb -0.11 -4.04 -0.02 0.00 -1.53 0.00 0.00 36.38 30.67 2dir s VAL 68 CO -0.09 -0.36 -0.14 -0.62 -3.33 0.00 0.00 175.10 170.56 2dir s ASP 69 N 2.79 1.70 0.00 3.54 -1.08 0.17 -4.90 116.67 118.89 2dir s ASP 69 Ca 0.58 -0.52 0.06 0.00 -0.52 0.00 0.00 52.55 52.15 2dir s ASP 69 Cb -0.19 -0.09 0.10 0.00 -1.46 0.00 0.00 42.92 41.28 2dir s ASP 69 CO 0.22 -0.01 0.89 0.18 0.52 0.00 0.00 175.17 176.97 2dir n LEU 70 N 1.65 1.95 -0.09 -1.34 4.77 -1.26 -3.42 117.00 119.26 2dir n LEU 70 Ca -0.19 -1.41 -0.17 0.00 -0.03 0.00 0.00 56.01 54.20 2dir n LEU 70 Cb 0.54 -0.06 -0.06 0.00 -2.33 0.00 0.00 43.42 41.52 2dir n LEU 70 CO 0.22 0.45 -0.98 0.41 -1.33 0.00 0.00 177.39 176.16 2dir n THR 71 N 0.26 1.35 -2.75 -5.08 -1.04 -1.26 -4.79 114.28 100.97 2dir n THR 71 Ca 0.05 -0.11 -0.22 0.00 -2.04 0.00 0.00 64.05 61.74 2dir n THR 71 Cb 0.24 -1.99 -0.01 0.00 -1.82 0.00 0.00 70.33 66.76 2dir n THR 71 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 2dir n ASN 72 N -4.15 3.39 -4.77 8.00 3.02 -1.26 -5.09 115.26 114.40 2dir n ASN 72 Ca -0.31 -3.39 -0.40 0.00 -0.03 0.00 0.00 54.58 50.45 2dir n ASN 72 Cb 0.66 -0.53 -0.02 0.00 -0.61 0.00 0.00 39.78 39.28 2dir n ASN 72 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 2dir s PRO 73 N -3.27 4.29 -0.08 3.52 0.04 -1.26 -4.84 135.00 133.40 2dir s PRO 73 Ca 0.43 1.98 0.16 0.00 0.04 0.00 0.00 61.00 63.61 2dir s PRO 73 Cb 0.37 -2.94 -0.23 0.00 0.04 0.00 0.00 34.50 31.75 2dir s PRO 73 CO -0.11 -0.16 0.46 1.04 0.04 0.00 0.00 177.00 178.27 2dir n GLN 74 N 0.58 0.65 -3.88 4.56 6.02 -1.05 -3.76 117.38 120.50 2dir n GLN 74 Ca 0.02 0.14 -0.25 0.00 -0.01 0.00 0.00 57.00 56.90 2dir n GLN 74 Cb 0.44 -1.68 -0.17 0.00 1.02 0.00 0.00 30.24 29.85 2dir n GLN 74 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 177.06 176.76 2dir s TYR 75 N -2.68 1.06 -0.47 1.08 2.02 -0.71 -3.27 117.35 114.38 2dir s TYR 75 Ca -0.07 -0.44 -0.19 0.00 -0.37 0.00 0.00 57.07 56.01 2dir s TYR 75 Cb 0.08 -1.00 0.04 0.00 -0.40 0.00 0.00 41.96 40.68 2dir s TYR 75 CO 0.83 -0.40 0.59 0.99 -1.57 0.00 0.00 175.55 175.98 2dir s THR 76 N 1.75 4.91 -0.52 -0.71 2.01 -0.46 -0.92 115.64 121.71 2dir s THR 76 Ca 0.03 -0.32 -0.14 0.00 0.31 0.00 0.00 61.69 61.57 2dir s THR 76 Cb -0.13 -4.22 0.12 0.00 0.01 0.00 0.00 72.50 68.28 2dir s THR 76 CO -0.06 -0.67 0.45 0.68 -0.69 0.00 0.00 174.62 174.33 2dir s VAL 77 N 2.56 4.98 -0.05 3.82 -7.23 -0.71 -1.90 120.40 121.88 2dir s VAL 77 Ca 0.16 -1.51 -0.06 0.00 -1.81 0.00 0.00 61.98 58.77 2dir s VAL 77 Cb -0.18 -4.18 -0.04 0.00 0.56 0.00 0.00 36.38 32.54 2dir s VAL 77 CO 0.14 -0.81 0.19 0.68 -0.31 0.00 0.00 175.10 174.99 2dir s VAL 78 N 1.55 5.42 -0.37 1.32 -7.23 -0.82 -2.48 120.40 117.78 2dir s VAL 78 Ca 0.04 0.09 -0.02 0.00 -1.81 0.00 0.00 61.98 60.28 2dir s VAL 78 Cb -0.28 -3.50 0.10 0.00 0.56 0.00 0.00 36.38 33.25 2dir s VAL 78 CO 0.03 0.45 0.14 0.68 -0.31 0.00 0.00 175.10 176.09 2dir s VAL 79 N -1.20 3.06 0.03 1.32 -7.23 -0.54 -1.12 120.40 114.72 2dir s VAL 79 Ca 0.23 -1.96 -0.05 0.00 -1.81 0.00 0.00 61.98 58.38 2dir s VAL 79 Cb -0.13 -3.05 -0.05 0.00 0.56 0.00 0.00 36.38 33.71 2dir s VAL 79 CO 0.12 -0.56 0.26 -0.70 -0.31 0.00 0.00 175.10 173.92 2dir s GLU 80 N 1.13 3.55 -0.36 4.82 2.12 0.11 -1.79 118.70 128.27 2dir s GLU 80 Ca 0.06 -0.16 -0.04 0.00 0.36 0.00 0.00 54.97 55.19 2dir s GLU 80 Cb -0.22 -3.04 0.07 0.00 0.26 0.00 0.00 34.13 31.20 2dir s GLU 80 CO -0.04 0.62 0.12 0.42 -0.54 0.00 0.00 175.26 175.84 2dir s ILE 81 N -1.38 3.33 -0.37 -3.70 -1.09 -1.12 -0.40 121.20 116.48 2dir s ILE 81 Ca 0.30 -1.61 -0.02 0.00 -2.23 0.00 0.00 60.65 57.09 2dir s ILE 81 Cb -0.13 -3.07 0.09 0.00 -1.58 0.00 0.00 42.46 37.77 2dir s ILE 81 CO 0.19 -0.38 0.13 -0.63 -1.23 0.00 0.00 174.94 173.02 2dir s ILE 82 N 1.25 3.13 -1.04 2.92 1.09 -1.14 -4.62 121.20 122.78 2dir s ILE 82 Ca 0.01 -1.85 -0.02 0.00 -1.10 0.00 0.00 60.65 57.68 2dir s ILE 82 Cb -0.21 -3.05 0.00 0.00 -1.06 0.00 0.00 42.46 38.14 2dir s ILE 82 CO -0.01 -0.50 0.31 0.29 -0.10 0.00 0.00 174.94 174.93 2dir n LYS 83 N 4.58 -2.75 -2.80 2.79 5.02 -1.26 -3.01 118.16 120.73 2dir n LYS 83 Ca -0.05 0.61 -0.08 0.00 -2.02 0.00 0.00 58.31 56.76 2dir n LYS 83 Cb 0.42 -4.82 0.03 0.00 -0.02 0.00 0.00 35.03 30.65 2dir n LYS 83 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2dir n ALA 84 N -2.67 -0.60 -3.79 7.82 0.00 -1.26 -5.05 120.51 114.96 2dir n ALA 84 Ca -0.09 0.10 -0.24 0.00 0.00 0.00 0.00 53.44 53.21 2dir n ALA 84 Cb 0.59 -2.06 -0.17 0.00 0.00 0.00 0.00 19.45 17.81 2dir n ALA 84 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2dir s VAL 85 N -3.13 0.64 -0.33 0.00 0.11 -1.16 -5.10 120.40 111.44 2dir s VAL 85 Ca 0.15 -0.06 -0.28 0.00 -2.93 0.00 0.00 61.98 58.86 2dir s VAL 85 Cb -0.07 -0.73 -0.03 0.00 -1.53 0.00 0.00 36.38 34.02 2dir s VAL 85 CO 0.28 0.30 1.95 0.00 -3.33 0.00 0.00 175.10 174.30 2dir s LEU 88 N 1.37 4.23 -0.22 0.00 1.02 -1.26 0.06 118.68 123.88 2dir s LEU 88 Ca -0.02 -0.27 -0.03 0.00 0.02 0.00 0.00 54.13 53.83 2dir s LEU 88 Cb -0.19 -2.10 0.00 0.00 0.02 0.00 0.00 46.19 43.92 2dir s LEU 88 CO 0.01 -0.15 -0.06 -0.55 0.02 0.00 0.00 176.35 175.62 2dir s SER 89 N 1.72 4.20 -0.11 2.29 0.15 -0.28 -4.96 113.70 116.70 2dir s SER 89 Ca 0.06 -0.52 -0.10 0.00 0.70 0.00 0.00 55.95 56.09 2dir s SER 89 Cb -0.17 -1.70 -0.05 0.00 -1.71 0.00 0.00 66.02 62.40 2dir s SER 89 CO 0.10 -0.04 0.22 -0.69 1.20 0.00 0.00 173.24 174.02 2dir s VAL 90 N 1.43 5.37 -0.06 4.45 1.01 -1.26 -1.94 120.40 129.39 2dir s VAL 90 Ca 0.05 0.39 -0.00 0.00 0.00 0.00 0.00 61.98 62.41 2dir s VAL 90 Cb -0.15 -3.51 0.03 0.00 0.00 0.00 0.00 36.38 32.75 2dir s VAL 90 CO -0.04 0.55 -0.02 -0.69 0.00 0.00 0.00 175.10 174.89 2dir s VAL 91 N -0.59 0.50 -0.51 2.92 1.01 -0.80 -4.97 120.40 117.97 2dir s VAL 91 Ca 0.16 -0.02 -0.20 0.00 0.00 0.00 0.00 61.98 61.92 2dir s VAL 91 Cb -0.13 -0.59 0.05 0.00 0.00 0.00 0.00 36.38 35.72 2dir s VAL 91 CO 0.05 0.25 0.68 -0.75 0.00 0.00 0.00 175.10 175.33 2dir s LYS 92 N 1.50 3.16 -0.01 2.72 2.20 -1.26 -1.35 119.74 126.69 2dir s LYS 92 Ca -0.02 -0.78 -0.05 0.00 -0.36 0.00 0.00 55.97 54.76 2dir s LYS 92 Cb -0.13 -4.09 -0.02 0.00 -1.51 0.00 0.00 37.83 32.08 2dir s LYS 92 CO -0.03 -1.26 -0.10 0.45 -0.36 0.00 0.00 175.35 174.05 2dir n SER 93 N 6.38 1.13 0.00 1.43 2.88 -1.20 -5.07 113.62 119.17 2dir n SER 93 Ca -0.05 0.17 0.00 0.00 -1.33 0.00 0.00 58.87 57.66 2dir n SER 93 Cb 0.46 -0.39 0.00 0.00 -0.75 0.00 0.00 64.21 63.52 2dir n SER 93 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dir n GLY 94 N 2.79 -0.21 0.00 0.46 0.00 -1.23 -3.71 105.19 103.29 2dir n GLY 94 Ca -0.07 -1.21 0.07 0.00 0.00 0.00 0.00 46.02 44.81 2dir n GLY 94 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2dir n PRO 95 N 1.67 0.25 -3.52 1.61 -0.04 -1.26 -4.78 135.00 128.93 2dir n PRO 95 Ca 0.00 0.12 -0.22 0.00 -0.04 0.00 0.00 63.50 63.37 2dir n PRO 95 Cb 0.00 -1.50 0.08 0.00 -0.04 0.00 0.00 33.50 32.04 2dir n PRO 95 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2dir n SER 96 N -1.24 -5.26 -4.33 3.54 2.88 -1.24 -5.01 113.62 102.96 2dir n SER 96 Ca 0.08 -0.54 -0.17 0.00 -1.33 0.00 0.00 58.87 56.90 2dir n SER 96 Cb 0.11 -4.93 -0.10 0.00 -0.75 0.00 0.00 64.21 58.54 2dir n SER 96 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2dir s SER 97 N -3.55 1.47 0.00 -3.46 0.01 -1.26 -5.24 113.70 101.66 2dir s SER 97 Ca 0.43 -1.34 0.00 0.00 1.31 0.00 0.00 55.95 56.35 2dir s SER 97 Cb -0.19 0.10 0.00 0.00 0.21 0.00 0.00 66.02 66.14 2dir s SER 97 CO 0.71 -0.67 0.00 0.61 0.41 0.00 0.00 173.24 174.30