#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dir s SER 2 N 0.00 0.16 0.03 1.61 1.04 -1.26 -5.05 113.70 110.23 2dir s SER 2 Ca 0.00 0.01 -0.19 0.00 0.48 0.00 0.00 55.95 56.25 2dir s SER 2 Cb 0.00 -0.09 -0.17 0.00 0.10 0.00 0.00 66.02 65.86 2dir s SER 2 CO 0.00 -0.08 1.25 -1.28 0.98 0.00 0.00 173.24 174.11 2dir h SER 3 N 6.94 0.51 0.00 7.02 0.87 -1.98 -3.49 113.55 123.42 2dir h SER 3 Ca -0.39 -0.60 0.00 0.00 -1.23 0.00 0.00 61.79 59.57 2dir h SER 3 Cb 1.15 -0.15 0.00 0.00 -0.44 0.00 0.00 62.40 62.96 2dir h SER 3 CO 0.49 1.03 0.00 0.61 -0.53 0.00 0.00 176.83 178.42 2dir n GLY 4 N 0.57 2.21 0.14 5.77 0.00 -1.26 -4.88 105.19 107.75 2dir n GLY 4 Ca -0.07 -0.67 -0.04 0.00 0.00 0.00 0.00 46.02 45.23 2dir n GLY 4 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2dir h SER 5 N 0.00 -0.25 -0.30 1.61 0.87 -1.99 -3.32 113.55 110.18 2dir h SER 5 Ca 0.00 0.01 -0.21 0.00 -1.23 0.00 0.00 61.79 60.36 2dir h SER 5 Cb 0.00 0.06 -0.08 0.00 -0.44 0.00 0.00 62.40 61.94 2dir h SER 5 CO 0.00 0.08 0.13 -1.54 -0.53 0.00 0.00 176.83 174.96 2dir n SER 6 N -4.20 5.86 0.00 6.23 3.41 -1.26 -4.60 113.62 119.06 2dir n SER 6 Ca -0.04 -2.75 0.00 0.00 -0.26 0.00 0.00 58.87 55.83 2dir n SER 6 Cb 0.12 -1.17 0.00 0.00 -0.26 0.00 0.00 64.21 62.90 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 1.20 0.22 3.21 5.00 0.00 -1.25 -4.85 105.19 108.72 2dir n GLY 7 Ca 0.24 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.84 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 1.09 2.75 0.28 1.61 3.01 -1.26 -4.95 119.74 122.26 2dir s LYS 8 Ca 0.00 -2.09 -0.02 0.00 -1.01 0.00 0.00 55.97 52.85 2dir s LYS 8 Cb 0.00 -4.00 0.60 0.00 -1.01 0.00 0.00 37.83 33.42 2dir s LYS 8 CO 0.00 -1.22 1.46 0.00 0.51 0.00 0.00 175.35 176.10 2dir n ALA 9 N 4.39 0.38 -0.30 5.17 0.00 -1.26 0.54 120.51 129.43 2dir n ALA 9 Ca 0.00 1.01 0.21 0.00 0.00 0.00 0.00 53.44 54.66 2dir n ALA 9 Cb 0.41 -0.68 0.39 0.00 0.00 0.00 0.00 19.45 19.57 2dir n ALA 9 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2dir n PHE 10 N -5.43 0.80 -0.05 0.00 -0.00 -1.26 -0.50 117.46 111.01 2dir n PHE 10 Ca 0.19 1.06 -0.10 0.00 -0.00 0.00 0.00 57.45 58.61 2dir n PHE 10 Cb 0.62 -1.31 -0.09 0.00 -0.00 0.00 0.00 39.48 38.70 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 -0.02 -0.39 -2.13 3.38 -0.33 -3.31 115.31 112.52 2dir h LEU 11 Ca 0.65 -0.63 0.03 0.00 0.09 0.00 0.00 57.88 58.03 2dir h LEU 11 Cb 1.56 0.01 -0.05 0.00 0.09 0.00 0.00 40.66 42.27 2dir h LEU 11 CO -0.76 0.77 -0.23 -0.62 0.09 0.00 0.00 178.44 177.69 2dir n GLU 12 N -4.70 -0.17 -0.24 1.13 -0.58 0.34 0.78 120.64 117.19 2dir n GLU 12 Ca -0.07 0.93 0.02 0.00 -0.42 0.00 0.00 57.16 57.62 2dir n GLU 12 Cb 0.31 -1.38 0.10 0.00 -0.57 0.00 0.00 31.44 29.91 2dir n GLU 12 CO 0.00 0.00 0.00 0.38 -0.48 0.00 0.00 177.13 177.03 2dir h ASP 13 N 0.00 -0.54 0.12 1.62 3.04 -1.55 0.54 116.42 119.65 2dir h ASP 13 Ca 0.06 0.20 0.01 0.00 -3.24 0.00 0.00 57.03 54.06 2dir h ASP 13 Cb 0.16 0.40 -0.01 0.00 -1.04 0.00 0.00 39.33 38.83 2dir h ASP 13 CO -0.36 -0.21 -0.13 -0.03 -2.04 0.00 0.00 179.24 176.47 2dir h MET 14 N 0.04 -0.27 -0.35 4.15 4.05 0.28 -1.24 114.93 121.59 2dir h MET 14 Ca 0.36 0.02 0.07 0.00 -0.28 0.00 0.00 59.70 59.87 2dir h MET 14 Cb 0.58 0.06 -0.07 0.00 -0.80 0.00 0.00 31.60 31.38 2dir h MET 14 CO -0.69 -0.18 -0.08 0.87 0.23 0.00 0.00 176.91 177.06 2dir h LYS 15 N -0.28 0.01 -0.45 0.39 1.57 0.99 0.77 116.57 119.57 2dir h LYS 15 Ca 0.01 -0.00 0.05 0.00 -1.87 0.00 0.00 60.65 58.84 2dir h LYS 15 Cb 0.27 -0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.53 2dir h LYS 15 CO -0.04 0.01 0.17 -0.22 -0.57 0.00 0.00 179.45 178.80 2dir h LYS 16 N 0.01 0.34 0.05 3.15 3.11 -0.73 -1.89 116.57 120.62 2dir h LYS 16 Ca 0.17 -0.02 -0.00 0.00 -2.81 0.00 0.00 60.65 57.99 2dir h LYS 16 Cb 0.26 -0.08 0.00 0.00 -1.00 0.00 0.00 32.23 31.41 2dir h LYS 16 CO -0.36 0.23 -0.02 -0.92 -2.81 0.00 0.00 179.45 175.57 2dir h TYR 17 N 0.35 -0.06 -1.05 1.91 3.20 -0.41 -2.80 116.97 118.12 2dir h TYR 17 Ca 0.21 -0.00 0.35 0.00 3.14 0.00 0.00 58.73 62.43 2dir h TYR 17 Cb 0.19 0.02 -0.10 0.00 1.54 0.00 0.00 36.73 38.38 2dir h TYR 17 CO -0.14 -0.04 0.69 0.00 -1.64 0.00 0.00 178.16 177.03 2dir n ALA 18 N -2.09 1.04 -0.09 1.82 0.00 0.26 0.59 120.51 122.04 2dir n ALA 18 Ca -0.01 0.61 0.00 0.00 0.00 0.00 0.00 53.44 54.04 2dir n ALA 18 Cb 0.03 -0.77 0.00 0.00 0.00 0.00 0.00 19.45 18.70 2dir n ALA 18 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2dir n GLU 19 N -4.04 0.00 0.06 0.00 2.13 -0.71 -0.10 120.64 117.98 2dir n GLU 19 Ca 0.30 0.45 0.04 0.00 0.66 0.00 0.00 57.16 58.61 2dir n GLU 19 Cb 1.17 -1.18 0.21 0.00 0.27 0.00 0.00 31.44 31.91 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 -1.86 1.42 -0.07 6.31 5.66 0.03 0.49 114.28 126.26 2dir n THR 20 Ca 0.00 0.60 -0.22 0.00 -3.05 0.00 0.00 64.05 61.37 2dir n THR 20 Cb 0.00 -1.60 -0.12 0.00 -1.55 0.00 0.00 70.33 67.06 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 -1.74 0.76 1.47 1.09 7.35 0.20 -4.23 117.46 122.36 2dir n PHE 21 Ca -0.01 0.22 0.14 0.00 -0.76 0.00 0.00 57.45 57.04 2dir n PHE 21 Cb 0.09 -1.09 0.55 0.00 0.35 0.00 0.00 39.48 39.37 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 -3.79 1.05 -0.19 -2.13 4.77 0.86 -4.31 117.00 113.26 2dir n LEU 22 Ca -0.38 -0.30 -0.09 0.00 -0.03 0.00 0.00 56.01 55.20 2dir n LEU 22 Cb 0.92 -0.06 -0.05 0.00 -2.33 0.00 0.00 43.42 41.90 2dir n LEU 22 CO 0.27 0.18 0.56 -0.33 -1.33 0.00 0.00 177.39 176.74 2dir h GLU 23 N 1.52 -0.25 0.00 3.23 5.08 -0.13 1.35 114.58 125.39 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 0.42 0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.73 2dir h GLU 23 CO 0.00 -0.16 0.00 -0.35 -1.00 0.00 0.00 179.01 177.50 2dir n PRO 24 N -5.40 0.16 -0.03 2.33 -0.04 -1.26 0.33 135.00 131.10 2dir n PRO 24 Ca 0.01 0.17 0.04 0.00 -0.04 0.00 0.00 63.50 63.68 2dir n PRO 24 Cb 0.35 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.18 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 0.23 -4.59 117.44 120.29 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 -0.49 0.00 0.00 -2.01 0.00 0.00 31.31 28.94 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 -2.22 0.00 -2.55 -5.99 3.72 0.40 -4.38 117.46 106.45 2dir n PHE 26 Ca -0.09 0.00 -0.41 0.00 -0.05 0.00 0.00 57.45 56.90 2dir n PHE 26 Cb 0.59 0.05 -0.04 0.00 -0.94 0.00 0.00 39.48 39.14 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 -1.67 4.60 0.90 -1.08 2.20 1.00 -3.92 119.74 121.77 2dir s LYS 27 Ca 0.00 1.67 -0.17 0.00 -0.36 0.00 0.00 55.97 57.11 2dir s LYS 27 Cb 0.00 -3.31 -0.12 0.00 -1.51 0.00 0.00 37.83 32.89 2dir s LYS 27 CO 0.00 0.06 -0.49 0.00 -0.36 0.00 0.00 175.35 174.57 2dir n ALA 28 N 2.64 -4.57 0.86 3.13 0.00 -1.26 -2.28 120.51 119.04 2dir n ALA 28 Ca 0.03 -0.55 0.08 0.00 0.00 0.00 0.00 53.44 53.00 2dir n ALA 28 Cb 0.47 -1.30 0.43 0.00 0.00 0.00 0.00 19.45 19.05 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 1.68 0.37 -2.86 0.00 -0.04 -1.26 -4.82 135.00 128.07 2dir n PRO 29 Ca 0.01 0.06 -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 -2.24 6.86 0.06 3.54 0.01 -0.96 -5.06 114.94 117.15 2dir s ASN 30 Ca 0.20 1.57 -0.28 0.00 -0.71 0.00 0.00 52.86 53.64 2dir s ASN 30 Cb 0.10 -2.49 0.10 0.00 0.41 0.00 0.00 41.25 39.37 2dir s ASN 30 CO 0.20 -0.34 1.16 -1.59 -1.51 0.00 0.00 177.10 175.02 2dir s LYS 31 N -3.22 0.74 0.00 -0.60 -2.85 -1.25 -3.76 119.74 108.79 2dir s LYS 31 Ca 0.60 -0.43 0.00 0.00 -1.00 0.00 0.00 55.97 55.14 2dir s LYS 31 Cb -0.09 0.24 0.00 0.00 -2.06 0.00 0.00 37.83 35.92 2dir s LYS 31 CO 0.16 -0.34 0.00 0.41 0.10 0.00 0.00 175.35 175.68 2dir n GLY 32 N -0.55 0.85 3.93 0.59 0.00 -1.26 -4.97 105.19 103.78 2dir n GLY 32 Ca -0.06 -1.80 -0.20 0.00 0.00 0.00 0.00 46.02 43.97 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 -3.08 2.70 0.18 2.61 -4.23 -1.26 -1.40 115.64 111.16 2dir s THR 33 Ca 0.00 -1.21 -0.24 0.00 -1.18 0.00 0.00 61.69 59.06 2dir s THR 33 Cb 0.00 -2.91 0.06 0.00 1.34 0.00 0.00 72.50 70.99 2dir s THR 33 CO 0.00 0.00 0.95 0.72 -0.54 0.00 0.00 174.62 175.75 2dir s PHE 34 N -2.46 -0.08 -0.11 3.99 -0.71 -1.24 -1.82 117.98 115.55 2dir s PHE 34 Ca 0.51 -0.27 -0.03 0.00 -1.04 0.00 0.00 56.93 56.09 2dir s PHE 34 Cb -0.06 0.67 0.04 0.00 -1.21 0.00 0.00 43.02 42.47 2dir s PHE 34 CO 0.30 -0.92 0.06 1.14 -1.34 0.00 0.00 175.22 174.46 2dir s GLN 35 N -3.09 0.14 0.17 1.99 -2.07 0.15 0.17 119.66 117.12 2dir s GLN 35 Ca 0.14 0.08 -0.20 0.00 -1.82 0.00 0.00 55.36 53.55 2dir s GLN 35 Cb -0.02 -1.27 -0.08 0.00 -1.09 0.00 0.00 33.01 30.55 2dir s GLN 35 CO 0.04 -0.50 0.68 0.42 -1.32 0.00 0.00 175.29 174.61 2dir s ILE 36 N 2.10 4.60 -0.08 3.63 1.01 -1.26 -1.99 121.20 129.21 2dir s ILE 36 Ca 0.03 1.31 -0.04 0.00 0.00 0.00 0.00 60.65 61.95 2dir s ILE 36 Cb -0.14 -3.92 0.04 0.00 0.01 0.00 0.00 42.46 38.45 2dir s ILE 36 CO -0.06 0.36 0.18 -0.69 0.00 0.00 0.00 174.94 174.73 2dir s VAL 37 N -1.34 -0.05 -0.39 2.92 1.01 -1.01 -4.99 120.40 116.54 2dir s VAL 37 Ca 0.37 0.17 -0.19 0.00 0.00 0.00 0.00 61.98 62.34 2dir s VAL 37 Cb -0.19 -0.29 0.01 0.00 0.00 0.00 0.00 36.38 35.92 2dir s VAL 37 CO 0.21 0.07 0.57 -0.47 0.00 0.00 0.00 175.10 175.48 2dir s TYR 38 N 1.23 3.13 -0.22 5.22 5.04 -1.26 -1.39 117.35 129.10 2dir s TYR 38 Ca -0.09 0.04 -0.02 0.00 -2.44 0.00 0.00 57.07 54.56 2dir s TYR 38 Cb -0.11 -3.10 0.00 0.00 0.35 0.00 0.00 41.96 39.10 2dir s TYR 38 CO -0.07 -0.69 -0.08 0.15 -1.34 0.00 0.00 175.55 173.52 2dir s LYS 39 N 2.56 3.21 -0.06 4.97 1.02 -0.56 -4.97 119.74 125.91 2dir s LYS 39 Ca 0.20 -0.72 0.05 0.00 0.02 0.00 0.00 55.97 55.52 2dir s LYS 39 Cb -0.15 -2.91 -0.01 0.00 -0.52 0.00 0.00 37.83 34.24 2dir s LYS 39 CO 0.16 -0.23 -0.23 -1.54 -0.92 0.00 0.00 175.35 172.59 2dir s SER 40 N 1.42 2.87 -0.08 2.83 1.04 -1.26 -2.11 113.70 118.41 2dir s SER 40 Ca 0.05 -0.48 -0.02 0.00 0.48 0.00 0.00 55.95 55.98 2dir s SER 40 Cb -0.14 -0.89 -0.04 0.00 0.10 0.00 0.00 66.02 65.04 2dir s SER 40 CO -0.06 0.21 -0.09 -1.14 0.98 0.00 0.00 173.24 173.15 2dir n ARG 41 N 3.10 0.18 0.16 4.02 0.00 -1.25 -4.83 116.66 118.04 2dir n ARG 41 Ca -0.18 0.06 -0.07 0.00 -0.00 0.00 0.00 57.85 57.66 2dir n ARG 41 Cb 0.52 -0.98 -0.03 0.00 0.00 0.00 0.00 32.46 31.97 2dir n ARG 41 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.63 176.72 2dir h ASN 42 N -0.14 -0.39 -3.03 6.15 2.35 -1.96 -3.48 115.58 115.08 2dir h ASN 42 Ca -0.19 0.01 0.09 0.00 -0.55 0.00 0.00 56.30 55.67 2dir h ASN 42 Cb 1.23 0.10 -0.28 0.00 0.05 0.00 0.00 38.32 39.42 2dir h ASN 42 CO -0.07 -0.02 0.56 0.20 -1.65 0.00 0.00 177.43 176.44 2dir s ASN 43 N -4.58 -0.35 -1.09 5.81 0.01 -1.26 -5.09 114.94 108.38 2dir s ASN 43 Ca -0.07 0.66 -0.10 0.00 -0.71 0.00 0.00 52.86 52.64 2dir s ASN 43 Cb 0.01 0.66 0.26 0.00 0.41 0.00 0.00 41.25 42.59 2dir s ASN 43 CO 0.20 -0.13 1.09 -0.94 -1.51 0.00 0.00 177.10 175.81 2dir s SER 44 N 0.08 7.24 -0.16 -1.22 1.04 -1.26 -4.81 113.70 114.60 2dir s SER 44 Ca 0.04 -3.44 -0.18 0.00 0.48 0.00 0.00 55.95 52.85 2dir s SER 44 Cb -0.05 -2.23 -0.15 0.00 0.10 0.00 0.00 66.02 63.69 2dir s SER 44 CO -0.08 -0.36 0.26 1.12 0.98 0.00 0.00 173.24 175.16 2dir h HIS 45 N 6.85 0.00 -3.21 5.02 2.07 -2.04 -3.46 115.15 120.38 2dir h HIS 45 Ca 0.18 0.00 -0.53 0.00 -2.85 0.00 0.00 60.37 57.17 2dir h HIS 45 Cb 0.89 0.00 0.02 0.00 2.57 0.00 0.00 27.41 30.89 2dir h HIS 45 CO 0.82 0.90 0.64 0.54 -3.07 0.00 0.00 177.93 177.76 2dir s VAL 46 N -2.20 3.49 -0.48 6.12 0.11 -1.26 -4.89 120.40 121.28 2dir s VAL 46 Ca -0.20 1.13 -0.29 0.00 -2.93 0.00 0.00 61.98 59.68 2dir s VAL 46 Cb 0.02 -3.72 -0.10 0.00 -1.53 0.00 0.00 36.38 31.05 2dir s VAL 46 CO 0.47 0.12 2.37 -3.20 -3.33 0.00 0.00 175.10 171.54 2dir n ASN 47 N 3.41 2.15 -0.31 3.54 5.15 -1.26 -4.80 115.26 123.14 2dir n ASN 47 Ca 0.09 -0.07 0.14 0.00 -0.60 0.00 0.00 54.58 54.13 2dir n ASN 47 Cb 0.44 -1.41 0.29 0.00 -0.53 0.00 0.00 39.78 38.57 2dir n ASN 47 CO 0.00 0.00 0.00 0.08 1.40 0.00 0.00 177.26 178.74 2dir h ARG 48 N 16.05 0.11 -0.74 1.20 0.11 -1.94 0.70 114.38 129.88 2dir h ARG 48 Ca -0.25 -0.01 0.13 0.00 0.10 0.00 0.00 59.98 59.95 2dir h ARG 48 Cb 1.28 -0.03 -0.13 0.00 1.11 0.00 0.00 29.97 32.20 2dir h ARG 48 CO 1.12 0.07 -0.34 0.93 0.10 0.00 0.00 179.97 181.86 2dir h GLU 49 N 0.11 -0.09 -0.76 0.08 3.07 -1.98 0.37 114.58 115.38 2dir h GLU 49 Ca 0.57 0.01 0.13 0.00 -0.50 0.00 0.00 59.36 59.57 2dir h GLU 49 Cb 1.18 0.02 -0.09 0.00 -0.84 0.00 0.00 28.75 29.02 2dir h GLU 49 CO -0.75 -0.06 0.34 0.93 -1.40 0.00 0.00 179.01 178.06 2dir h GLU 50 N -0.10 0.50 0.53 2.33 3.07 -1.23 0.59 114.58 120.26 2dir h GLU 50 Ca 0.28 -0.03 -0.03 0.00 -0.50 0.00 0.00 59.36 59.09 2dir h GLU 50 Cb 0.57 -0.11 0.01 0.00 -0.84 0.00 0.00 28.75 28.37 2dir h GLU 50 CO -0.79 0.33 -0.25 0.28 -1.40 0.00 0.00 179.01 177.17 2dir h VAL 51 N 0.51 0.00 0.42 3.13 2.07 -0.38 -1.58 116.25 120.43 2dir h VAL 51 Ca 0.41 -0.27 -0.01 0.00 0.82 0.00 0.00 66.70 67.65 2dir h VAL 51 Cb 0.57 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.32 2dir h VAL 51 CO -0.36 0.00 -0.43 0.40 0.02 0.00 0.00 177.57 177.19 2dir h ILE 52 N -0.98 0.00 -0.40 4.57 2.04 -0.42 0.18 117.51 122.51 2dir h ILE 52 Ca -0.07 0.00 0.06 0.00 1.00 0.00 0.00 64.86 65.85 2dir h ILE 52 Cb 0.54 0.00 -0.09 0.00 -0.74 0.00 0.00 36.82 36.54 2dir h ILE 52 CO 0.12 0.00 -0.50 0.03 0.00 0.00 0.00 178.15 177.80 2dir h ARG 53 N -0.85 -0.36 0.21 2.37 2.47 0.04 -2.11 114.38 116.15 2dir h ARG 53 Ca -0.05 0.02 -0.00 0.00 -1.26 0.00 0.00 59.98 58.69 2dir h ARG 53 Cb 0.74 0.08 -0.02 0.00 -1.65 0.00 0.00 29.97 29.13 2dir h ARG 53 CO -0.06 -0.24 -0.30 1.49 0.56 0.00 0.00 179.97 181.42 2dir h GLU 54 N -0.37 -0.51 -0.72 0.04 4.57 -1.17 -1.67 114.58 114.75 2dir h GLU 54 Ca 0.10 0.03 0.30 0.00 -1.18 0.00 0.00 59.36 58.62 2dir h GLU 54 Cb 0.60 0.12 -0.13 0.00 -0.16 0.00 0.00 28.75 29.18 2dir h GLU 54 CO -0.58 -0.34 0.39 1.28 -1.18 0.00 0.00 179.01 178.58 2dir n LEU 55 N -4.17 0.25 -0.00 1.64 4.77 0.62 0.16 117.00 120.26 2dir n LEU 55 Ca -0.06 1.17 -0.13 0.00 -0.03 0.00 0.00 56.01 56.96 2dir n LEU 55 Cb 0.26 -0.57 -0.10 0.00 -2.33 0.00 0.00 43.42 40.68 2dir n LEU 55 CO 0.13 -1.31 0.56 0.00 -1.33 0.00 0.00 177.39 175.44 2dir h ALA 56 N 1.41 -0.05 -1.06 -1.18 0.00 -0.67 -2.92 119.26 114.79 2dir h ALA 56 Ca 0.61 -0.27 0.31 0.00 0.00 0.00 0.00 54.91 55.55 2dir h ALA 56 Cb 1.62 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 19.38 2dir h ALA 56 CO -0.54 -0.24 0.77 0.78 0.00 0.00 0.00 179.25 180.02 2dir h GLY 57 N -0.63 0.00 0.21 0.00 0.00 0.24 -0.66 103.07 102.23 2dir h GLY 57 Ca -0.01 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.31 2dir h GLY 57 CO 0.01 0.00 -0.04 -2.22 0.00 0.00 0.00 176.54 174.28 2dir h ILE 58 N 0.00 1.65 -0.73 2.60 2.04 -1.33 -3.18 117.51 118.56 2dir h ILE 58 Ca 0.50 -1.97 0.14 0.00 1.00 0.00 0.00 64.86 64.54 2dir h ILE 58 Cb 2.03 2.98 -0.14 0.00 -0.74 0.00 0.00 36.82 40.95 2dir h ILE 58 CO -0.01 0.52 -0.22 0.58 0.00 0.00 0.00 178.15 179.02 2dir h VAL 59 N -0.78 0.22 -0.48 1.67 2.07 -0.93 0.56 116.25 118.58 2dir h VAL 59 Ca -0.01 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.52 2dir h VAL 59 Cb 0.87 0.22 -0.02 0.00 -1.52 0.00 0.00 31.29 30.83 2dir h VAL 59 CO 0.01 0.00 0.32 0.00 0.02 0.00 0.00 177.57 177.91 2dir h THR 61 N 0.64 1.00 0.11 0.00 2.02 0.14 -3.16 112.91 113.66 2dir h THR 61 Ca 0.18 -0.04 -0.01 0.00 0.77 0.00 0.00 66.41 67.31 2dir h THR 61 Cb -0.07 0.87 0.00 0.00 -1.74 0.00 0.00 68.15 67.21 2dir h THR 61 CO -0.04 0.02 -0.05 -0.07 0.37 0.00 0.00 175.52 175.75 2dir h LEU 62 N 0.12 -0.13 -7.76 2.58 3.38 -0.83 -3.45 115.31 109.22 2dir h LEU 62 Ca 0.05 0.00 -0.55 0.00 0.09 0.00 0.00 57.88 57.48 2dir h LEU 62 Cb 0.07 0.03 -0.37 0.00 0.09 0.00 0.00 40.66 40.48 2dir h LEU 62 CO -0.01 -0.04 -0.81 0.21 0.09 0.00 0.00 178.44 177.88 2dir s ASN 63 N -2.94 2.34 0.62 -0.43 3.84 -1.20 -4.69 114.94 112.50 2dir s ASN 63 Ca -0.02 -0.36 0.30 0.00 0.21 0.00 0.00 52.86 52.99 2dir s ASN 63 Cb 0.00 -0.95 1.64 0.00 -0.55 0.00 0.00 41.25 41.40 2dir s ASN 63 CO 0.07 -0.10 1.99 0.28 -2.79 0.00 0.00 177.10 176.55 2dir h SER 64 N 8.13 0.00 0.72 -4.21 0.02 -1.87 0.37 113.55 116.71 2dir h SER 64 Ca -0.33 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 60.58 2dir h SER 64 Cb 1.13 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.67 2dir h SER 64 CO 0.45 0.00 -0.22 -0.33 -1.14 0.00 0.00 176.83 175.58 2dir h GLU 65 N 0.00 0.00 -6.80 3.45 4.39 -1.94 -3.44 114.58 110.25 2dir h GLU 65 Ca 0.09 0.00 -0.53 0.00 0.34 0.00 0.00 59.36 59.26 2dir h GLU 65 Cb 0.73 0.00 0.06 0.00 -0.10 0.00 0.00 28.75 29.44 2dir h GLU 65 CO -0.00 0.22 0.72 -0.80 -1.16 0.00 0.00 179.01 178.00 2dir s ASN 66 N -6.25 6.67 -0.24 1.42 0.01 0.13 -4.38 114.94 112.30 2dir s ASN 66 Ca -0.01 2.69 -0.02 0.00 -0.71 0.00 0.00 52.86 54.81 2dir s ASN 66 Cb 0.11 -2.63 0.12 0.00 0.41 0.00 0.00 41.25 39.26 2dir s ASN 66 CO 0.63 -0.66 0.28 -0.54 -1.51 0.00 0.00 177.10 175.30 2dir s LYS 67 N -0.88 0.27 0.02 -0.60 1.02 -0.50 -4.77 119.74 114.30 2dir s LYS 67 Ca 0.56 0.16 -0.30 0.00 0.02 0.00 0.00 55.97 56.41 2dir s LYS 67 Cb -0.41 -0.85 -0.08 0.00 -0.52 0.00 0.00 37.83 35.96 2dir s LYS 67 CO 0.47 -0.78 1.85 0.54 -0.92 0.00 0.00 175.35 176.51 2dir s VAL 68 N 2.39 3.16 0.05 3.17 0.11 -1.26 -3.63 120.40 124.40 2dir s VAL 68 Ca 0.09 0.25 0.06 0.00 -2.93 0.00 0.00 61.98 59.45 2dir s VAL 68 Cb -0.15 -3.16 -0.03 0.00 -1.53 0.00 0.00 36.38 31.51 2dir s VAL 68 CO -0.20 -0.02 -0.16 -0.62 -3.33 0.00 0.00 175.10 170.77 2dir s ASP 69 N 3.91 1.91 0.00 3.54 2.15 0.13 -4.83 116.67 123.48 2dir s ASP 69 Ca 0.83 -0.52 0.13 0.00 0.43 0.00 0.00 52.55 53.41 2dir s ASP 69 Cb -0.40 -0.12 0.22 0.00 -0.30 0.00 0.00 42.92 42.32 2dir s ASP 69 CO 0.37 0.04 1.09 0.18 -0.17 0.00 0.00 175.17 176.68 2dir n LEU 70 N 1.68 2.53 -0.07 -1.34 4.77 -1.26 -3.73 117.00 119.58 2dir n LEU 70 Ca -0.19 -1.47 -0.13 0.00 -0.03 0.00 0.00 56.01 54.20 2dir n LEU 70 Cb 0.54 -0.12 -0.04 0.00 -2.33 0.00 0.00 43.42 41.46 2dir n LEU 70 CO 0.23 0.56 -0.81 0.41 -1.33 0.00 0.00 177.39 176.45 2dir n THR 71 N 0.70 1.28 -2.86 -5.08 -1.04 -1.26 -4.81 114.28 101.20 2dir n THR 71 Ca 0.10 -0.01 -0.24 0.00 -2.04 0.00 0.00 64.05 61.87 2dir n THR 71 Cb 0.38 -1.97 -0.02 0.00 -1.82 0.00 0.00 70.33 66.90 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 -4.06 3.54 -4.75 8.00 3.02 -1.26 -5.09 115.26 114.67 2dir n ASN 72 Ca -0.23 -3.47 -0.41 0.00 -0.03 0.00 0.00 54.58 50.43 2dir n ASN 72 Cb 0.56 -0.55 -0.03 0.00 -0.61 0.00 0.00 39.78 39.15 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 -3.25 4.42 0.08 3.52 0.04 -1.26 -4.83 135.00 133.73 2dir s PRO 73 Ca 0.45 2.05 0.18 0.00 0.04 0.00 0.00 61.00 63.72 2dir s PRO 73 Cb 0.34 -3.16 -0.12 0.00 0.04 0.00 0.00 34.50 31.60 2dir s PRO 73 CO -0.12 -0.15 0.84 1.04 0.04 0.00 0.00 177.00 178.65 2dir n GLN 74 N 1.89 0.62 -3.94 4.56 1.13 -0.85 -3.79 117.38 117.00 2dir n GLN 74 Ca 0.03 0.19 -0.18 0.00 -1.94 0.00 0.00 57.00 55.10 2dir n GLN 74 Cb 0.43 -1.80 -0.16 0.00 0.11 0.00 0.00 30.24 28.81 2dir n GLN 74 CO 0.00 0.00 0.00 0.71 -1.44 0.00 0.00 177.06 176.33 2dir s TYR 75 N -3.01 0.40 -0.50 1.08 2.02 -0.76 -3.29 117.35 113.29 2dir s TYR 75 Ca -0.03 -0.04 -0.15 0.00 -0.37 0.00 0.00 57.07 56.49 2dir s TYR 75 Cb 0.09 -0.49 0.10 0.00 -0.40 0.00 0.00 41.96 41.26 2dir s TYR 75 CO 0.81 -0.16 0.43 0.99 -1.57 0.00 0.00 175.55 176.05 2dir s THR 76 N 1.15 5.12 -0.57 -0.71 2.01 0.01 -0.67 115.64 121.97 2dir s THR 76 Ca -0.08 -1.32 -0.18 0.00 0.31 0.00 0.00 61.69 60.42 2dir s THR 76 Cb -0.13 -4.17 0.11 0.00 0.01 0.00 0.00 72.50 68.31 2dir s THR 76 CO -0.02 -0.72 0.64 0.68 -0.69 0.00 0.00 174.62 174.52 2dir s VAL 77 N 1.60 4.93 0.02 3.82 -7.23 -0.84 -2.24 120.40 120.45 2dir s VAL 77 Ca 0.04 -1.08 -0.00 0.00 -1.81 0.00 0.00 61.98 59.12 2dir s VAL 77 Cb -0.27 -4.43 -0.04 0.00 0.56 0.00 0.00 36.38 32.20 2dir s VAL 77 CO 0.04 -1.03 0.13 0.68 -0.31 0.00 0.00 175.10 174.61 2dir s VAL 78 N 2.39 4.98 -0.33 1.32 -7.23 -0.77 -2.42 120.40 118.34 2dir s VAL 78 Ca 0.09 -0.41 0.03 0.00 -1.81 0.00 0.00 61.98 59.89 2dir s VAL 78 Cb -0.25 -3.33 0.09 0.00 0.56 0.00 0.00 36.38 33.45 2dir s VAL 78 CO 0.06 0.27 0.04 0.68 -0.31 0.00 0.00 175.10 175.84 2dir s VAL 79 N -1.31 2.39 0.06 1.32 -7.23 -0.49 -1.32 120.40 113.81 2dir s VAL 79 Ca 0.27 -2.18 -0.12 0.00 -1.81 0.00 0.00 61.98 58.14 2dir s VAL 79 Cb -0.12 -2.69 -0.06 0.00 0.56 0.00 0.00 36.38 34.07 2dir s VAL 79 CO 0.19 -0.51 0.41 -0.70 -0.31 0.00 0.00 175.10 174.18 2dir s GLU 80 N 0.97 3.83 -0.35 4.82 2.12 -0.30 -1.50 118.70 128.28 2dir s GLU 80 Ca 0.07 0.28 -0.08 0.00 0.36 0.00 0.00 54.97 55.61 2dir s GLU 80 Cb -0.20 -3.07 0.04 0.00 0.26 0.00 0.00 34.13 31.16 2dir s GLU 80 CO -0.07 0.60 0.14 0.42 -0.54 0.00 0.00 175.26 175.81 2dir s ILE 81 N -1.29 4.01 -0.37 -3.70 -1.09 -0.90 -0.95 121.20 116.92 2dir s ILE 81 Ca 0.30 -1.09 0.03 0.00 -2.23 0.00 0.00 60.65 57.66 2dir s ILE 81 Cb -0.15 -3.28 0.11 0.00 -1.58 0.00 0.00 42.46 37.56 2dir s ILE 81 CO 0.16 -0.22 0.11 -0.63 -1.23 0.00 0.00 174.94 173.13 2dir s ILE 82 N 1.44 1.97 -0.78 2.92 1.01 -1.10 -3.90 121.20 122.76 2dir s ILE 82 Ca -0.00 -2.32 -0.02 0.00 0.00 0.00 0.00 60.65 58.31 2dir s ILE 82 Cb -0.20 -2.44 0.00 0.00 0.01 0.00 0.00 42.46 39.83 2dir s ILE 82 CO 0.04 -0.67 0.66 0.29 0.00 0.00 0.00 174.94 175.26 2dir n LYS 83 N 4.14 -4.42 -3.34 2.79 5.02 -1.26 -3.33 118.16 117.76 2dir n LYS 83 Ca 0.03 0.53 -0.18 0.00 -2.02 0.00 0.00 58.31 56.67 2dir n LYS 83 Cb 0.40 -4.62 0.07 0.00 -0.02 0.00 0.00 35.03 30.86 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 -3.30 -1.40 -2.79 7.82 0.00 -1.26 -5.02 120.51 114.55 2dir n ALA 84 Ca -0.13 0.17 -0.18 0.00 0.00 0.00 0.00 53.44 53.30 2dir n ALA 84 Cb 0.59 -3.59 -0.15 0.00 0.00 0.00 0.00 19.45 16.30 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 -3.29 0.61 -0.40 0.00 0.11 -1.21 -5.12 120.40 111.10 2dir s VAL 85 Ca 0.27 -0.31 -0.23 0.00 -2.93 0.00 0.00 61.98 58.78 2dir s VAL 85 Cb -0.12 -0.52 0.02 0.00 -1.53 0.00 0.00 36.38 34.22 2dir s VAL 85 CO 0.62 0.18 0.77 0.00 -3.33 0.00 0.00 175.10 173.34 2dir s LEU 88 N 1.28 4.09 -0.20 0.00 1.02 -1.26 -1.15 118.68 122.46 2dir s LEU 88 Ca 0.07 0.63 0.00 0.00 0.02 0.00 0.00 54.13 54.85 2dir s LEU 88 Cb -0.25 -2.86 0.02 0.00 0.02 0.00 0.00 46.19 43.12 2dir s LEU 88 CO -0.02 -0.42 -0.17 -0.55 0.02 0.00 0.00 176.35 175.21 2dir s SER 89 N 1.53 3.45 -0.23 2.29 0.15 -0.43 -4.96 113.70 115.49 2dir s SER 89 Ca 0.26 -0.70 -0.08 0.00 0.70 0.00 0.00 55.95 56.13 2dir s SER 89 Cb -0.15 -1.53 -0.04 0.00 -1.71 0.00 0.00 66.02 62.60 2dir s SER 89 CO 0.10 -0.03 0.09 -0.69 1.20 0.00 0.00 173.24 173.91 2dir s VAL 90 N 1.30 4.62 -0.06 4.45 1.01 -1.25 -1.84 120.40 128.62 2dir s VAL 90 Ca 0.04 -0.07 0.05 0.00 0.00 0.00 0.00 61.98 61.99 2dir s VAL 90 Cb -0.14 -3.14 -0.00 0.00 0.00 0.00 0.00 36.38 33.09 2dir s VAL 90 CO -0.11 0.36 -0.21 -0.69 0.00 0.00 0.00 175.10 174.45 2dir s VAL 91 N 1.24 1.78 -0.42 2.92 1.01 -0.95 -4.92 120.40 121.06 2dir s VAL 91 Ca 0.05 -0.90 -0.17 0.00 0.00 0.00 0.00 61.98 60.97 2dir s VAL 91 Cb -0.14 -1.52 0.02 0.00 0.00 0.00 0.00 36.38 34.73 2dir s VAL 91 CO 0.04 0.50 0.41 -0.75 0.00 0.00 0.00 175.10 175.30 2dir s LYS 92 N 0.06 3.07 0.00 2.72 2.20 -1.26 -0.81 119.74 125.71 2dir s LYS 92 Ca -0.07 -0.81 0.00 0.00 -0.36 0.00 0.00 55.97 54.72 2dir s LYS 92 Cb -0.14 -3.97 0.00 0.00 -1.51 0.00 0.00 37.83 32.21 2dir s LYS 92 CO 0.04 -0.83 0.00 -1.13 -0.36 0.00 0.00 175.35 173.07 2dir n SER 93 N 5.51 0.94 0.40 1.43 3.41 -1.21 -4.73 113.62 119.37 2dir n SER 93 Ca -0.08 -0.37 -0.19 0.00 -0.26 0.00 0.00 58.87 57.97 2dir n SER 93 Cb 0.47 0.93 -0.10 0.00 -0.26 0.00 0.00 64.21 65.25 2dir n SER 93 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 2dir h GLY 94 N 0.00 -1.33 0.71 5.00 0.00 -1.65 -2.05 103.07 103.75 2dir h GLY 94 Ca 0.00 0.56 0.00 0.00 0.00 0.00 0.00 47.33 47.89 2dir h GLY 94 CO 0.00 -0.43 0.00 -1.55 0.00 0.00 0.00 176.54 174.56 2dir n PRO 95 N -5.55 0.49 -0.27 4.80 -0.04 -1.26 -4.10 135.00 129.06 2dir n PRO 95 Ca -0.14 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.32 2dir n PRO 95 Cb 0.49 -1.36 0.04 0.00 -0.04 0.00 0.00 33.50 32.64 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 -0.86 -0.43 -3.47 3.54 2.88 -0.77 -4.27 113.62 110.24 2dir n SER 96 Ca 0.08 1.25 -0.02 0.00 -1.33 0.00 0.00 58.87 58.86 2dir n SER 96 Cb 0.04 -0.30 -0.05 0.00 -0.75 0.00 0.00 64.21 63.15 2dir n SER 96 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2dir s SER 97 N -5.25 -0.88 0.00 -3.46 0.15 -1.26 -5.15 113.70 97.86 2dir s SER 97 Ca -0.10 1.10 0.00 0.00 0.70 0.00 0.00 55.95 57.65 2dir s SER 97 Cb 0.15 1.94 0.00 0.00 -1.71 0.00 0.00 66.02 66.41 2dir s SER 97 CO 0.52 -0.24 0.00 0.61 1.20 0.00 0.00 173.24 175.33