#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 6.78 -0.08 1.61 0.15 -1.26 -4.97 113.70 115.93 2dir s SER 2 Ca 0.00 0.76 -0.31 0.00 0.70 0.00 0.00 55.95 57.11 2dir s SER 2 Cb 0.00 -2.54 0.12 0.00 -1.71 0.00 0.00 66.02 61.89 2dir s SER 2 CO 0.00 -1.04 0.99 -0.55 1.20 0.00 0.00 173.24 173.84 2dir s SER 3 N 2.02 -0.31 0.00 5.45 0.15 -1.26 -5.13 113.70 114.63 2dir s SER 3 Ca 0.46 0.08 0.00 0.00 0.70 0.00 0.00 55.95 57.19 2dir s SER 3 Cb -0.10 0.31 0.00 0.00 -1.71 0.00 0.00 66.02 64.52 2dir s SER 3 CO 0.23 -0.47 0.00 0.61 1.20 0.00 0.00 173.24 174.81 2dir n GLY 4 N -0.00 -2.01 3.64 9.45 0.00 -1.26 -5.17 105.19 109.84 2dir n GLY 4 Ca -0.07 0.96 -0.29 0.00 0.00 0.00 0.00 46.02 46.62 2dir n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dir s SER 5 N 0.00 2.39 0.70 1.61 0.01 -1.26 -4.96 113.70 112.19 2dir s SER 5 Ca 0.00 1.41 -0.16 0.00 1.31 0.00 0.00 55.95 58.51 2dir s SER 5 Cb 0.00 -2.10 0.01 0.00 0.21 0.00 0.00 66.02 64.14 2dir s SER 5 CO 0.00 -3.31 1.08 -1.54 0.41 0.00 0.00 173.24 169.88 2dir n SER 6 N -4.31 0.99 -4.57 2.44 3.41 -1.26 -4.78 113.62 105.53 2dir n SER 6 Ca 0.05 0.71 -0.21 0.00 -0.26 0.00 0.00 58.87 59.17 2dir n SER 6 Cb 0.56 -1.46 -0.08 0.00 -0.26 0.00 0.00 64.21 62.97 2dir n SER 6 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2dir s GLY 7 N -1.59 -0.44 -1.10 5.00 0.00 -1.26 -4.86 107.32 103.08 2dir s GLY 7 Ca 0.76 -1.63 -0.21 0.00 0.00 0.00 0.00 44.72 43.63 2dir s GLY 7 CO 0.47 3.90 1.52 0.54 0.00 0.00 0.00 173.10 179.54 2dir s LYS 8 N 7.59 3.72 0.15 2.90 -0.14 -1.26 -4.86 119.74 127.83 2dir s LYS 8 Ca 0.77 -1.43 -0.30 0.00 -1.36 0.00 0.00 55.97 53.65 2dir s LYS 8 Cb -0.05 -5.39 -0.04 0.00 -1.68 0.00 0.00 37.83 30.67 2dir s LYS 8 CO 0.12 -2.20 1.55 0.00 -0.76 0.00 0.00 175.35 174.07 2dir h ALA 9 N 9.07 -0.57 -1.09 5.17 0.00 -1.99 0.32 119.26 130.17 2dir h ALA 9 Ca 0.27 0.06 0.41 0.00 0.00 0.00 0.00 54.91 55.65 2dir h ALA 9 Cb 0.97 1.10 -0.14 0.00 0.00 0.00 0.00 17.79 19.71 2dir h ALA 9 CO 1.42 -0.95 0.66 0.34 0.00 0.00 0.00 179.25 180.72 2dir n PHE 10 N -5.37 0.84 -0.07 0.00 7.35 -1.26 -0.68 117.46 118.27 2dir n PHE 10 Ca -0.01 0.85 -0.07 0.00 -0.76 0.00 0.00 57.45 57.46 2dir n PHE 10 Cb 0.33 -1.26 -0.05 0.00 0.35 0.00 0.00 39.48 38.85 2dir n PHE 10 CO 0.00 0.00 0.00 -0.07 -0.76 0.00 0.00 176.76 175.93 2dir h LEU 11 N 0.00 0.00 -0.76 -2.13 3.38 -0.90 -3.08 115.31 111.82 2dir h LEU 11 Ca 0.79 -0.29 0.10 0.00 0.09 0.00 0.00 57.88 58.56 2dir h LEU 11 Cb 2.33 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 42.97 2dir h LEU 11 CO -0.55 0.79 -0.36 -0.62 0.09 0.00 0.00 178.44 177.79 2dir n GLU 12 N -4.66 -0.25 -0.24 1.13 1.02 0.18 0.15 120.64 117.96 2dir n GLU 12 Ca -0.08 1.15 -0.08 0.00 -0.02 0.00 0.00 57.16 58.14 2dir n GLU 12 Cb 0.25 -1.70 0.04 0.00 -0.02 0.00 0.00 31.44 30.01 2dir n GLU 12 CO 0.00 0.00 0.00 0.38 1.18 0.00 0.00 177.13 178.69 2dir h ASP 13 N 0.00 1.04 0.72 1.62 3.04 -1.49 -3.21 116.42 118.13 2dir h ASP 13 Ca 0.20 -0.24 -0.03 0.00 -3.24 0.00 0.00 57.03 53.72 2dir h ASP 13 Cb 0.39 -0.27 -0.01 0.00 -1.04 0.00 0.00 39.33 38.40 2dir h ASP 13 CO -0.73 1.01 -0.49 -0.03 -2.04 0.00 0.00 179.24 176.96 2dir h MET 14 N 1.02 -1.10 -0.77 4.15 4.05 0.14 -2.61 114.93 119.81 2dir h MET 14 Ca 0.21 0.08 0.22 0.00 -0.28 0.00 0.00 59.70 59.92 2dir h MET 14 Cb 0.38 0.25 -0.14 0.00 -0.80 0.00 0.00 31.60 31.29 2dir h MET 14 CO 0.00 -0.74 0.04 1.63 0.23 0.00 0.00 176.91 178.07 2dir n LYS 15 N -5.61 -0.06 0.00 0.39 5.02 0.11 -0.65 118.16 117.36 2dir n LYS 15 Ca -0.14 1.15 0.00 0.00 -2.02 0.00 0.00 58.31 57.30 2dir n LYS 15 Cb 0.49 -1.84 0.00 0.00 -0.02 0.00 0.00 35.03 33.66 2dir n LYS 15 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2dir n LYS 16 N -5.06 0.00 -0.23 1.97 5.02 -1.02 -1.96 118.16 116.88 2dir n LYS 16 Ca 0.19 0.44 -0.08 0.00 -2.02 0.00 0.00 58.31 56.84 2dir n LYS 16 Cb 0.61 -1.36 -0.07 0.00 -0.02 0.00 0.00 35.03 34.20 2dir n LYS 16 CO 0.00 0.00 0.00 -0.92 -0.52 0.00 0.00 177.40 175.96 2dir h TYR 17 N 0.00 -1.22 -0.89 2.13 5.03 -0.82 0.35 116.97 121.55 2dir h TYR 17 Ca 0.00 0.08 0.15 0.00 2.58 0.00 0.00 58.73 61.54 2dir h TYR 17 Cb 0.00 0.60 -0.15 0.00 1.55 0.00 0.00 36.73 38.73 2dir h TYR 17 CO 0.17 -0.26 -0.34 0.00 -1.32 0.00 0.00 178.16 176.41 2dir h ALA 18 N -0.13 0.22 -0.21 1.82 0.00 -1.00 0.91 119.26 120.87 2dir h ALA 18 Ca 0.09 0.27 0.00 0.00 0.00 0.00 0.00 54.91 55.27 2dir h ALA 18 Cb 0.30 0.89 0.00 0.00 0.00 0.00 0.00 17.79 18.98 2dir h ALA 18 CO -0.56 -0.58 0.00 -1.91 0.00 0.00 0.00 179.25 176.20 2dir n GLU 19 N -5.49 0.00 0.15 0.00 2.13 -0.01 0.77 120.64 118.19 2dir n GLU 19 Ca 0.10 0.61 0.08 0.00 0.66 0.00 0.00 57.16 58.60 2dir n GLU 19 Cb 0.40 -1.46 0.43 0.00 0.27 0.00 0.00 31.44 31.08 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 -2.17 0.86 0.09 6.31 5.66 -0.48 0.95 114.28 125.51 2dir n THR 20 Ca 0.00 0.73 0.11 0.00 -3.05 0.00 0.00 64.05 61.84 2dir n THR 20 Cb 0.00 -1.73 -0.05 0.00 -1.55 0.00 0.00 70.33 67.00 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 -2.10 0.62 0.00 1.09 7.35 0.31 -4.14 117.46 120.60 2dir n PHE 21 Ca -0.01 0.18 0.01 0.00 -0.76 0.00 0.00 57.45 56.87 2dir n PHE 21 Cb 0.18 -0.79 0.02 0.00 0.35 0.00 0.00 39.48 39.24 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 -2.51 1.83 0.25 -2.13 4.77 0.23 -4.75 117.00 114.68 2dir n LEU 22 Ca -0.01 -1.71 -0.16 0.00 -0.03 0.00 0.00 56.01 54.10 2dir n LEU 22 Cb 0.55 -0.02 -0.08 0.00 -2.33 0.00 0.00 43.42 41.54 2dir n LEU 22 CO 0.42 0.45 0.62 -0.33 -1.33 0.00 0.00 177.39 177.22 2dir h GLU 23 N 0.26 -0.76 0.00 3.23 5.08 0.43 0.91 114.58 123.73 2dir h GLU 23 Ca 0.00 0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 2dir h GLU 23 Cb 0.39 0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.81 2dir h GLU 23 CO 0.00 -0.51 0.00 -0.35 -1.00 0.00 0.00 179.01 177.15 2dir n PRO 24 N -5.48 0.16 -0.08 2.33 -0.04 -1.26 0.32 135.00 130.95 2dir n PRO 24 Ca -0.10 0.17 -0.08 0.00 -0.04 0.00 0.00 63.50 63.45 2dir n PRO 24 Cb 0.38 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.20 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 -0.63 -4.58 117.44 119.44 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 -0.82 0.00 0.00 -2.01 0.00 0.00 31.31 28.61 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 -2.61 0.00 -2.53 -5.99 3.72 0.30 -4.24 117.46 106.12 2dir n PHE 26 Ca -0.27 0.00 -0.41 0.00 -0.05 0.00 0.00 57.45 56.72 2dir n PHE 26 Cb 1.03 0.00 -0.04 0.00 -0.94 0.00 0.00 39.48 39.53 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 -1.94 4.59 0.84 -1.08 2.20 0.96 -3.92 119.74 121.38 2dir s LYS 27 Ca 0.00 1.69 -0.17 0.00 -0.36 0.00 0.00 55.97 57.13 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 0.06 -0.42 0.00 -0.36 0.00 0.00 175.35 174.63 2dir n ALA 28 N 2.55 -4.31 0.82 3.13 0.00 -1.26 -2.14 120.51 119.29 2dir n ALA 28 Ca 0.03 -0.47 0.07 0.00 0.00 0.00 0.00 53.44 53.08 2dir n ALA 28 Cb 0.47 -1.32 0.41 0.00 0.00 0.00 0.00 19.45 19.01 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 1.66 0.33 -2.70 0.00 -0.04 -1.26 -4.83 135.00 128.16 2dir n PRO 29 Ca 0.02 0.08 -0.34 0.00 -0.04 0.00 0.00 63.50 63.23 2dir n PRO 29 Cb 0.53 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.43 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 -2.31 6.69 -0.13 3.54 0.01 -0.91 -5.05 114.94 116.77 2dir s ASN 30 Ca 0.18 1.80 -0.34 0.00 -0.71 0.00 0.00 52.86 53.80 2dir s ASN 30 Cb 0.10 -2.55 0.13 0.00 0.41 0.00 0.00 41.25 39.34 2dir s ASN 30 CO 0.20 -0.54 1.22 -1.59 -1.51 0.00 0.00 177.10 174.88 2dir s LYS 31 N -3.17 0.36 0.00 -0.60 -2.85 -1.25 -3.85 119.74 108.37 2dir s LYS 31 Ca 0.64 -0.16 0.00 0.00 -1.00 0.00 0.00 55.97 55.45 2dir s LYS 31 Cb -0.12 0.15 0.00 0.00 -2.06 0.00 0.00 37.83 35.80 2dir s LYS 31 CO 0.16 -0.16 0.00 0.41 0.10 0.00 0.00 175.35 175.86 2dir n GLY 32 N -0.21 0.28 3.92 0.59 0.00 -1.26 -5.00 105.19 103.52 2dir n GLY 32 Ca -0.02 -1.42 -0.20 0.00 0.00 0.00 0.00 46.02 44.38 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 -3.40 2.68 0.07 2.61 -4.23 -1.26 -1.40 115.64 110.72 2dir s THR 33 Ca 0.00 -1.24 -0.27 0.00 -1.18 0.00 0.00 61.69 59.00 2dir s THR 33 Cb 0.00 -2.92 0.09 0.00 1.34 0.00 0.00 72.50 71.01 2dir s THR 33 CO 0.00 0.00 1.02 0.72 -0.54 0.00 0.00 174.62 175.82 2dir s PHE 34 N -2.46 -0.15 -0.09 3.99 -0.71 -1.24 -1.89 117.98 115.44 2dir s PHE 34 Ca 0.50 -0.07 -0.02 0.00 -1.04 0.00 0.00 56.93 56.30 2dir s PHE 34 Cb -0.05 0.60 0.04 0.00 -1.21 0.00 0.00 43.02 42.39 2dir s PHE 34 CO 0.30 -0.64 0.03 1.14 -1.34 0.00 0.00 175.22 174.71 2dir s GLN 35 N -3.04 0.42 0.14 1.99 -2.07 -0.79 0.70 119.66 117.01 2dir s GLN 35 Ca 0.11 0.08 -0.18 0.00 -1.82 0.00 0.00 55.36 53.55 2dir s GLN 35 Cb -0.00 -1.10 -0.07 0.00 -1.09 0.00 0.00 33.01 30.75 2dir s GLN 35 CO -0.01 -0.39 0.61 0.42 -1.32 0.00 0.00 175.29 174.60 2dir s ILE 36 N 2.01 4.72 -0.07 3.63 1.01 -1.26 -2.07 121.20 129.18 2dir s ILE 36 Ca 0.04 1.12 -0.03 0.00 0.00 0.00 0.00 60.65 61.79 2dir s ILE 36 Cb -0.13 -3.84 0.04 0.00 0.01 0.00 0.00 42.46 38.54 2dir s ILE 36 CO -0.05 0.35 0.14 -0.69 0.00 0.00 0.00 174.94 174.68 2dir s VAL 37 N -1.35 -0.12 -0.26 2.92 1.01 -1.09 -5.00 120.40 116.52 2dir s VAL 37 Ca 0.36 0.25 -0.23 0.00 0.00 0.00 0.00 61.98 62.37 2dir s VAL 37 Cb -0.17 -0.24 -0.01 0.00 0.00 0.00 0.00 36.38 35.96 2dir s VAL 37 CO 0.20 0.10 0.75 -0.47 0.00 0.00 0.00 175.10 175.68 2dir s TYR 38 N 1.57 3.28 -0.27 5.22 5.04 -1.26 -1.46 117.35 129.47 2dir s TYR 38 Ca -0.05 0.97 0.03 0.00 -2.44 0.00 0.00 57.07 55.58 2dir s TYR 38 Cb -0.12 -2.99 0.07 0.00 0.35 0.00 0.00 41.96 39.27 2dir s TYR 38 CO -0.05 -0.40 -0.08 0.15 -1.34 0.00 0.00 175.55 173.83 2dir s LYS 39 N 2.73 2.11 0.25 4.97 1.02 -0.08 -4.97 119.74 125.75 2dir s LYS 39 Ca 0.31 -1.43 0.06 0.00 0.02 0.00 0.00 55.97 54.93 2dir s LYS 39 Cb -0.15 -2.94 -0.05 0.00 -0.52 0.00 0.00 37.83 34.17 2dir s LYS 39 CO 0.08 -0.63 -0.07 0.45 -0.92 0.00 0.00 175.35 174.27 2dir s SER 40 N 1.07 2.46 0.11 2.83 0.15 -1.26 -1.99 113.70 117.08 2dir s SER 40 Ca -0.06 -1.15 0.00 0.00 0.70 0.00 0.00 55.95 55.44 2dir s SER 40 Cb -0.20 -0.11 0.00 0.00 -1.71 0.00 0.00 66.02 64.00 2dir s SER 40 CO -0.06 -0.34 0.00 -1.14 1.20 0.00 0.00 173.24 172.90 2dir n ARG 41 N -0.48 0.00 -2.48 5.44 0.63 -1.26 -4.92 116.66 113.58 2dir n ARG 41 Ca -0.06 0.00 -0.20 0.00 -0.92 0.00 0.00 57.85 56.67 2dir n ARG 41 Cb 0.63 -0.28 0.02 0.00 0.45 0.00 0.00 32.46 33.27 2dir n ARG 41 CO 0.00 0.00 0.00 0.27 -2.51 0.00 0.00 177.63 175.39 2dir n ASN 42 N -3.26 3.64 -3.68 6.15 6.94 -1.26 -4.95 115.26 118.85 2dir n ASN 42 Ca 0.00 -3.32 -0.28 0.00 -0.02 0.00 0.00 54.58 50.96 2dir n ASN 42 Cb 0.00 -0.46 -0.12 0.00 -2.36 0.00 0.00 39.78 36.84 2dir n ASN 42 CO 0.00 0.00 0.00 0.20 -1.03 0.00 0.00 177.26 176.43 2dir s ASN 43 N -3.47 3.37 -0.53 0.53 -0.87 -1.26 -4.96 114.94 107.76 2dir s ASN 43 Ca 0.41 -3.08 0.03 0.00 -1.57 0.00 0.00 52.86 48.65 2dir s ASN 43 Cb 0.41 -1.03 0.42 0.00 -0.02 0.00 0.00 41.25 41.03 2dir s ASN 43 CO -0.08 -0.19 1.50 -1.54 -2.57 0.00 0.00 177.10 174.21 2dir n SER 44 N 2.93 5.92 -0.02 -1.22 3.41 -1.26 -4.66 113.62 118.71 2dir n SER 44 Ca 0.17 -3.77 -0.06 0.00 -0.26 0.00 0.00 58.87 54.96 2dir n SER 44 Cb 0.38 -0.65 -0.02 0.00 -0.26 0.00 0.00 64.21 63.66 2dir n SER 44 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 2dir n HIS 45 N -0.63 0.00 -3.29 7.33 8.25 -1.26 -5.02 115.22 120.60 2dir n HIS 45 Ca 0.48 0.00 -0.39 0.00 -0.26 0.00 0.00 57.72 57.55 2dir n HIS 45 Cb 0.65 -0.26 -0.06 0.00 1.12 0.00 0.00 29.99 31.43 2dir n HIS 45 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 2dir s VAL 46 N -2.35 4.84 0.24 1.59 0.11 -1.26 -5.03 120.40 118.54 2dir s VAL 46 Ca -0.13 1.16 -0.31 0.00 -2.93 0.00 0.00 61.98 59.76 2dir s VAL 46 Cb 0.03 -3.88 -0.12 0.00 -1.53 0.00 0.00 36.38 30.88 2dir s VAL 46 CO 0.19 0.52 1.66 -0.46 -3.33 0.00 0.00 175.10 173.67 2dir n ASN 47 N 2.06 3.86 0.11 3.54 2.04 -1.26 -4.90 115.26 120.72 2dir n ASN 47 Ca -0.10 1.10 -0.02 0.00 -0.44 0.00 0.00 54.58 55.12 2dir n ASN 47 Cb 0.51 -1.57 0.05 0.00 -2.53 0.00 0.00 39.78 36.24 2dir n ASN 47 CO 0.00 0.00 0.00 0.08 -0.44 0.00 0.00 177.26 176.90 2dir h ARG 48 N 5.82 0.00 0.77 -3.83 -0.00 -1.95 -3.30 114.38 111.89 2dir h ARG 48 Ca -0.45 0.00 -0.04 0.00 -0.00 0.00 0.00 59.98 59.49 2dir h ARG 48 Cb 1.22 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 31.19 2dir h ARG 48 CO 0.88 0.73 -0.39 0.93 -0.00 0.00 0.00 179.97 182.11 2dir h GLU 49 N 0.00 -1.03 -0.82 0.08 3.07 -1.99 -1.63 114.58 112.26 2dir h GLU 49 Ca -0.01 0.07 0.20 0.00 -0.50 0.00 0.00 59.36 59.12 2dir h GLU 49 Cb 1.39 0.23 -0.13 0.00 -0.84 0.00 0.00 28.75 29.41 2dir h GLU 49 CO 0.09 -0.69 0.22 0.93 -1.40 0.00 0.00 179.01 178.16 2dir h GLU 50 N -1.07 0.24 0.22 2.33 3.07 -1.98 0.59 114.58 117.99 2dir h GLU 50 Ca -0.10 -0.01 -0.01 0.00 -0.50 0.00 0.00 59.36 58.73 2dir h GLU 50 Cb 0.83 -0.05 0.00 0.00 -0.84 0.00 0.00 28.75 28.69 2dir h GLU 50 CO 0.16 0.16 -0.11 0.28 -1.40 0.00 0.00 179.01 178.10 2dir h VAL 51 N 0.25 0.78 0.49 3.13 2.07 -1.58 0.40 116.25 121.78 2dir h VAL 51 Ca 0.49 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.99 2dir h VAL 51 Cb 0.93 0.78 0.00 0.00 -1.52 0.00 0.00 31.29 31.48 2dir h VAL 51 CO -0.59 0.00 -0.24 0.40 0.02 0.00 0.00 177.57 177.16 2dir h ILE 52 N -0.30 0.00 -0.75 4.57 2.04 -0.14 0.78 117.51 123.71 2dir h ILE 52 Ca -0.03 -0.21 0.15 0.00 1.00 0.00 0.00 64.86 65.77 2dir h ILE 52 Cb 0.23 0.00 -0.14 0.00 -0.74 0.00 0.00 36.82 36.17 2dir h ILE 52 CO 0.05 0.00 -0.19 0.03 0.00 0.00 0.00 178.15 178.04 2dir h ARG 53 N -0.88 -0.00 0.53 2.37 2.47 0.04 -1.37 114.38 117.54 2dir h ARG 53 Ca -0.07 0.00 -0.03 0.00 -1.26 0.00 0.00 59.98 58.63 2dir h ARG 53 Cb 0.51 0.00 0.01 0.00 -1.65 0.00 0.00 29.97 28.83 2dir h ARG 53 CO 0.11 -0.00 -0.26 1.49 0.56 0.00 0.00 179.97 181.87 2dir h GLU 54 N -0.00 -0.69 -1.31 0.04 4.57 -0.95 -1.59 114.58 114.65 2dir h GLU 54 Ca 0.36 0.05 0.44 0.00 -1.18 0.00 0.00 59.36 59.03 2dir h GLU 54 Cb 0.55 0.16 -0.13 0.00 -0.16 0.00 0.00 28.75 29.16 2dir h GLU 54 CO -0.77 -0.40 0.83 -0.07 -1.18 0.00 0.00 179.01 177.42 2dir h LEU 55 N -0.86 0.24 0.01 1.64 3.38 0.19 0.37 115.31 120.28 2dir h LEU 55 Ca -0.07 0.15 -0.03 0.00 0.09 0.00 0.00 57.88 58.02 2dir h LEU 55 Cb 0.61 0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.50 2dir h LEU 55 CO 0.12 -0.22 -0.12 0.00 0.09 0.00 0.00 178.44 178.32 2dir h ALA 56 N 1.63 0.00 -0.49 1.53 0.00 -1.04 -3.07 119.26 117.83 2dir h ALA 56 Ca 0.84 -0.46 0.14 0.00 0.00 0.00 0.00 54.91 55.42 2dir h ALA 56 Cb 2.59 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 20.37 2dir h ALA 56 CO -0.46 0.01 0.51 0.78 0.00 0.00 0.00 179.25 180.08 2dir h GLY 57 N -0.75 0.00 1.21 0.00 0.00 0.69 0.45 103.07 104.66 2dir h GLY 57 Ca -0.02 0.00 -0.33 0.00 0.00 0.00 0.00 47.33 46.98 2dir h GLY 57 CO 0.02 0.00 -1.54 -2.22 0.00 0.00 0.00 176.54 172.80 2dir h ILE 58 N 0.00 1.20 -0.06 2.60 2.04 -1.30 -3.27 117.51 118.71 2dir h ILE 58 Ca 0.23 -2.70 0.02 0.00 1.00 0.00 0.00 64.86 63.41 2dir h ILE 58 Cb 1.24 2.93 -0.00 0.00 -0.74 0.00 0.00 36.82 40.26 2dir h ILE 58 CO -0.00 0.83 0.29 0.58 0.00 0.00 0.00 178.15 179.85 2dir h VAL 59 N 0.12 0.08 0.01 1.67 2.07 -0.80 -1.28 116.25 118.13 2dir h VAL 59 Ca -0.27 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.23 2dir h VAL 59 Cb 2.12 0.72 0.00 0.00 -1.52 0.00 0.00 31.29 32.61 2dir h VAL 59 CO 0.23 0.00 -0.08 0.00 0.02 0.00 0.00 177.57 177.75 2dir h THR 61 N -0.92 0.18 0.27 0.00 1.03 -1.33 -1.19 112.91 110.95 2dir h THR 61 Ca -0.01 0.00 -0.01 0.00 -0.01 0.00 0.00 66.41 66.37 2dir h THR 61 Cb 1.04 0.31 0.00 0.00 -1.07 0.00 0.00 68.15 68.44 2dir h THR 61 CO 0.01 0.00 -0.13 -0.07 -0.01 0.00 0.00 175.52 175.32 2dir h LEU 62 N 0.00 -0.31 -7.66 0.00 3.38 -1.61 -3.46 115.31 105.65 2dir h LEU 62 Ca 0.37 0.01 -0.36 0.00 0.09 0.00 0.00 57.88 57.99 2dir h LEU 62 Cb 2.09 0.08 -0.34 0.00 0.09 0.00 0.00 40.66 42.58 2dir h LEU 62 CO -0.00 -0.03 -0.75 0.21 0.09 0.00 0.00 178.44 177.95 2dir s ASN 63 N -4.11 0.56 0.55 -0.43 3.84 -0.45 -4.51 114.94 110.39 2dir s ASN 63 Ca -0.05 -0.06 0.28 0.00 0.21 0.00 0.00 52.86 53.24 2dir s ASN 63 Cb 0.01 -0.28 1.63 0.00 -0.55 0.00 0.00 41.25 42.05 2dir s ASN 63 CO 0.16 -0.08 2.16 -1.28 -2.79 0.00 0.00 177.10 175.27 2dir h SER 64 N 7.15 0.00 1.00 -4.21 0.87 -1.90 -0.50 113.55 115.96 2dir h SER 64 Ca -0.41 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.15 2dir h SER 64 Cb 1.14 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.10 2dir h SER 64 CO 0.48 0.06 0.00 -0.33 -0.53 0.00 0.00 176.83 176.51 2dir h GLU 65 N 0.00 0.00 -6.52 2.24 4.39 -1.94 -3.44 114.58 109.32 2dir h GLU 65 Ca -0.00 0.00 -0.53 0.00 0.34 0.00 0.00 59.36 59.17 2dir h GLU 65 Cb 0.17 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 28.84 2dir h GLU 65 CO 0.01 0.00 0.70 -0.80 -1.16 0.00 0.00 179.01 177.76 2dir s ASN 66 N -4.84 6.88 -0.26 1.42 0.01 -0.20 -4.18 114.94 113.78 2dir s ASN 66 Ca 0.04 2.24 -0.01 0.00 -0.71 0.00 0.00 52.86 54.42 2dir s ASN 66 Cb 0.09 -2.58 0.13 0.00 0.41 0.00 0.00 41.25 39.30 2dir s ASN 66 CO 0.48 -0.62 0.32 -0.54 -1.51 0.00 0.00 177.10 175.23 2dir s LYS 67 N 1.22 0.31 0.01 -0.60 -0.14 -0.49 -4.82 119.74 115.23 2dir s LYS 67 Ca 0.63 0.16 -0.30 0.00 -1.36 0.00 0.00 55.97 55.11 2dir s LYS 67 Cb -0.35 -0.68 -0.08 0.00 -1.68 0.00 0.00 37.83 35.04 2dir s LYS 67 CO 0.30 -0.84 1.98 0.54 -0.76 0.00 0.00 175.35 176.57 2dir s VAL 68 N 2.43 3.04 0.10 3.17 0.11 -1.26 -3.58 120.40 124.41 2dir s VAL 68 Ca 0.10 0.05 0.10 0.00 -2.93 0.00 0.00 61.98 59.30 2dir s VAL 68 Cb -0.14 -3.04 -0.04 0.00 -1.53 0.00 0.00 36.38 31.63 2dir s VAL 68 CO -0.23 -0.01 -0.27 -0.62 -3.33 0.00 0.00 175.10 170.65 2dir s ASP 69 N 4.78 3.28 0.00 3.54 2.15 0.22 -4.78 116.67 125.84 2dir s ASP 69 Ca 0.89 -0.68 0.11 0.00 0.43 0.00 0.00 52.55 53.29 2dir s ASP 69 Cb -0.41 -0.26 0.18 0.00 -0.30 0.00 0.00 42.92 42.13 2dir s ASP 69 CO 0.40 0.21 1.02 0.18 -0.17 0.00 0.00 175.17 176.82 2dir n LEU 70 N 1.26 2.34 -0.07 -1.34 4.77 -1.26 -3.79 117.00 118.91 2dir n LEU 70 Ca -0.17 -1.45 -0.13 0.00 -0.03 0.00 0.00 56.01 54.22 2dir n LEU 70 Cb 0.53 -0.10 -0.04 0.00 -2.33 0.00 0.00 43.42 41.47 2dir n LEU 70 CO 0.23 0.52 -0.83 0.41 -1.33 0.00 0.00 177.39 176.40 2dir n THR 71 N 0.55 1.12 -3.00 -5.08 -1.04 -1.26 -4.84 114.28 100.73 2dir n THR 71 Ca 0.08 -0.05 -0.22 0.00 -2.04 0.00 0.00 64.05 61.82 2dir n THR 71 Cb 0.34 -1.86 -0.03 0.00 -1.82 0.00 0.00 70.33 66.96 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 -3.90 2.70 -4.77 8.00 3.02 -1.26 -5.10 115.26 113.95 2dir n ASN 72 Ca -0.24 -3.33 -0.37 0.00 -0.03 0.00 0.00 54.58 50.60 2dir n ASN 72 Cb 0.58 -0.58 -0.01 0.00 -0.61 0.00 0.00 39.78 39.16 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 -3.00 3.85 -0.16 3.52 0.04 -1.26 -4.86 135.00 133.13 2dir s PRO 73 Ca 0.44 1.81 0.05 0.00 0.04 0.00 0.00 61.00 63.34 2dir s PRO 73 Cb 0.33 -2.50 -0.23 0.00 0.04 0.00 0.00 34.50 32.14 2dir s PRO 73 CO -0.11 -0.48 0.19 1.04 0.04 0.00 0.00 177.00 177.68 2dir n GLN 74 N -0.30 0.69 -4.23 4.56 6.02 -1.01 -4.82 117.38 118.29 2dir n GLN 74 Ca 0.06 0.18 -0.24 0.00 -0.01 0.00 0.00 57.00 56.99 2dir n GLN 74 Cb 0.47 -1.63 -0.17 0.00 1.02 0.00 0.00 30.24 29.94 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 -2.54 1.27 -0.44 1.08 1.51 -0.79 -1.37 117.35 116.08 2dir s TYR 75 Ca -0.20 -0.51 -0.17 0.00 -1.01 0.00 0.00 57.07 55.18 2dir s TYR 75 Cb 0.07 -1.02 0.03 0.00 -0.11 0.00 0.00 41.96 40.93 2dir s TYR 75 CO 0.75 -0.34 0.45 0.99 -1.11 0.00 0.00 175.55 176.28 2dir s THR 76 N 1.14 5.09 -0.54 -0.71 2.01 -0.46 -1.89 115.64 120.28 2dir s THR 76 Ca -0.06 -0.46 -0.16 0.00 0.31 0.00 0.00 61.69 61.31 2dir s THR 76 Cb -0.14 -4.08 0.12 0.00 0.01 0.00 0.00 72.50 68.41 2dir s THR 76 CO -0.01 -0.48 0.52 0.68 -0.69 0.00 0.00 174.62 174.64 2dir s VAL 77 N 2.12 5.15 -0.10 3.82 -7.23 -0.88 -1.60 120.40 121.67 2dir s VAL 77 Ca 0.11 -1.35 -0.08 0.00 -1.81 0.00 0.00 61.98 58.85 2dir s VAL 77 Cb -0.18 -4.34 -0.04 0.00 0.56 0.00 0.00 36.38 32.38 2dir s VAL 77 CO 0.12 -0.87 0.18 0.68 -0.31 0.00 0.00 175.10 174.90 2dir s VAL 78 N 1.79 5.44 -0.33 1.32 -7.23 -0.11 -2.65 120.40 118.62 2dir s VAL 78 Ca 0.05 0.30 -0.01 0.00 -1.81 0.00 0.00 61.98 60.51 2dir s VAL 78 Cb -0.28 -3.45 0.07 0.00 0.56 0.00 0.00 36.38 33.29 2dir s VAL 78 CO 0.04 0.61 0.06 0.68 -0.31 0.00 0.00 175.10 176.18 2dir s VAL 79 N -1.02 2.92 0.13 1.32 -7.23 -0.53 -0.43 120.40 115.56 2dir s VAL 79 Ca 0.16 -1.73 0.01 0.00 -1.81 0.00 0.00 61.98 58.61 2dir s VAL 79 Cb -0.13 -2.84 -0.04 0.00 0.56 0.00 0.00 36.38 33.93 2dir s VAL 79 CO 0.05 -0.34 0.28 -0.70 -0.31 0.00 0.00 175.10 174.09 2dir s GLU 80 N 1.16 3.47 -0.47 4.82 2.12 0.29 -0.91 118.70 129.18 2dir s GLU 80 Ca 0.01 -0.46 -0.02 0.00 0.36 0.00 0.00 54.97 54.86 2dir s GLU 80 Cb -0.21 -2.96 0.13 0.00 0.26 0.00 0.00 34.13 31.35 2dir s GLU 80 CO -0.03 0.53 0.26 0.42 -0.54 0.00 0.00 175.26 175.90 2dir s ILE 81 N -1.67 3.28 -0.64 -3.70 -1.09 -0.84 -1.14 121.20 115.39 2dir s ILE 81 Ca 0.36 -2.43 -0.14 0.00 -2.23 0.00 0.00 60.65 56.21 2dir s ILE 81 Cb -0.12 -3.23 0.16 0.00 -1.58 0.00 0.00 42.46 37.70 2dir s ILE 81 CO 0.28 -0.75 0.58 -0.63 -1.23 0.00 0.00 174.94 173.19 2dir s ILE 82 N 0.67 5.16 -0.80 2.92 1.09 -1.07 -4.49 121.20 124.67 2dir s ILE 82 Ca 0.12 -1.98 -0.03 0.00 -1.10 0.00 0.00 60.65 57.66 2dir s ILE 82 Cb -0.22 -4.27 0.00 0.00 -1.06 0.00 0.00 42.46 36.91 2dir s ILE 82 CO -0.04 -0.92 0.69 0.29 -0.10 0.00 0.00 174.94 174.86 2dir n LYS 83 N 4.63 -4.59 -2.95 2.79 5.02 -1.26 -3.06 118.16 118.73 2dir n LYS 83 Ca -0.02 0.53 -0.16 0.00 -2.02 0.00 0.00 58.31 56.64 2dir n LYS 83 Cb 0.43 -4.63 0.04 0.00 -0.02 0.00 0.00 35.03 30.84 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 -3.50 -0.76 -3.37 7.82 0.00 -1.26 -5.02 120.51 114.42 2dir n ALA 84 Ca -0.09 0.23 -0.28 0.00 0.00 0.00 0.00 53.44 53.30 2dir n ALA 84 Cb 0.57 -3.28 -0.17 0.00 0.00 0.00 0.00 19.45 16.58 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 -3.07 1.57 -0.59 0.00 0.11 -1.17 -5.09 120.40 112.15 2dir s VAL 85 Ca 0.28 -0.73 -0.28 0.00 -2.93 0.00 0.00 61.98 58.33 2dir s VAL 85 Cb -0.12 -1.39 0.01 0.00 -1.53 0.00 0.00 36.38 33.35 2dir s VAL 85 CO 0.35 0.45 1.45 0.00 -3.33 0.00 0.00 175.10 174.02 2dir s LEU 88 N 1.47 4.12 -0.17 0.00 1.02 -1.26 -0.54 118.68 123.31 2dir s LEU 88 Ca 0.01 0.22 0.01 0.00 0.02 0.00 0.00 54.13 54.39 2dir s LEU 88 Cb -0.18 -2.23 0.02 0.00 0.02 0.00 0.00 46.19 43.82 2dir s LEU 88 CO 0.03 0.01 -0.19 -0.55 0.02 0.00 0.00 176.35 175.67 2dir s SER 89 N 1.12 2.99 -0.09 2.29 0.15 0.43 -4.97 113.70 115.62 2dir s SER 89 Ca 0.11 -0.59 -0.05 0.00 0.70 0.00 0.00 55.95 56.11 2dir s SER 89 Cb -0.14 -1.38 -0.04 0.00 -1.71 0.00 0.00 66.02 62.75 2dir s SER 89 CO 0.06 -0.01 0.12 -0.69 1.20 0.00 0.00 173.24 173.93 2dir s VAL 90 N 1.28 5.26 -0.14 4.45 1.01 -1.26 -0.94 120.40 130.06 2dir s VAL 90 Ca 0.03 0.04 -0.02 0.00 0.00 0.00 0.00 61.98 62.03 2dir s VAL 90 Cb -0.13 -3.32 0.04 0.00 0.00 0.00 0.00 36.38 32.98 2dir s VAL 90 CO -0.11 0.55 0.01 -0.69 0.00 0.00 0.00 175.10 174.86 2dir s VAL 91 N -1.07 0.56 -0.43 2.92 1.01 -0.63 -4.94 120.40 117.83 2dir s VAL 91 Ca 0.17 -0.31 -0.28 0.00 0.00 0.00 0.00 61.98 61.55 2dir s VAL 91 Cb -0.12 -0.89 0.02 0.00 0.00 0.00 0.00 36.38 35.40 2dir s VAL 91 CO 0.07 0.02 1.09 -0.75 0.00 0.00 0.00 175.10 175.53 2dir s LYS 92 N 1.87 3.81 -0.01 2.72 2.20 -1.26 -1.35 119.74 127.72 2dir s LYS 92 Ca 0.02 0.67 0.08 0.00 -0.36 0.00 0.00 55.97 56.37 2dir s LYS 92 Cb -0.15 -3.86 -0.02 0.00 -1.51 0.00 0.00 37.83 32.29 2dir s LYS 92 CO -0.07 -1.21 -0.25 -1.54 -0.36 0.00 0.00 175.35 171.93 2dir s SER 93 N 2.18 3.19 0.00 1.43 1.04 -0.47 -5.04 113.70 116.04 2dir s SER 93 Ca 0.45 -0.47 0.00 0.00 0.48 0.00 0.00 55.95 56.41 2dir s SER 93 Cb -0.09 -0.38 0.00 0.00 0.10 0.00 0.00 66.02 65.65 2dir s SER 93 CO 0.26 0.31 0.00 0.61 0.98 0.00 0.00 173.24 175.39 2dir n GLY 94 N 2.24 3.37 3.64 7.32 0.00 -1.26 -4.58 105.19 115.91 2dir n GLY 94 Ca -0.16 -1.80 -0.29 0.00 0.00 0.00 0.00 46.02 43.76 2dir n GLY 94 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dir s PRO 95 N -3.75 -0.41 0.83 1.61 0.04 -1.26 -5.00 135.00 127.05 2dir s PRO 95 Ca 0.00 0.22 -0.12 0.00 0.04 0.00 0.00 61.00 61.14 2dir s PRO 95 Cb 0.00 -1.67 0.10 0.00 0.04 0.00 0.00 34.50 32.97 2dir s PRO 95 CO 0.00 -3.23 1.16 0.45 0.04 0.00 0.00 177.00 175.42 2dir s SER 96 N -3.67 3.60 -0.40 6.66 0.15 -1.26 -5.02 113.70 113.76 2dir s SER 96 Ca 0.68 2.18 0.01 0.00 0.70 0.00 0.00 55.95 59.52 2dir s SER 96 Cb -0.14 -2.57 0.14 0.00 -1.71 0.00 0.00 66.02 61.74 2dir s SER 96 CO 0.57 -2.65 0.23 -0.55 1.20 0.00 0.00 173.24 172.03 2dir s SER 97 N -2.59 3.37 0.00 5.45 0.15 -1.26 -5.30 113.70 113.52 2dir s SER 97 Ca 0.68 -2.44 0.00 0.00 0.70 0.00 0.00 55.95 54.90 2dir s SER 97 Cb -0.24 -0.77 0.00 0.00 -1.71 0.00 0.00 66.02 63.30 2dir s SER 97 CO 0.53 -0.29 0.00 0.61 1.20 0.00 0.00 173.24 175.30