#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x48 s SER 2 N 0.00 6.43 -0.23 1.61 0.15 -1.26 -5.01 113.70 115.38 1x48 s SER 2 Ca 0.00 0.50 -0.22 0.00 0.70 0.00 0.00 55.95 56.94 1x48 s SER 2 Cb 0.00 -2.23 -0.02 0.00 -1.71 0.00 0.00 66.02 62.07 1x48 s SER 2 CO 0.00 -0.07 0.68 -0.55 1.20 0.00 0.00 173.24 174.51 1x48 s SER 3 N 1.03 6.68 0.00 5.45 0.15 -1.26 -5.01 113.70 120.74 1x48 s SER 3 Ca 0.19 0.83 0.00 0.00 0.70 0.00 0.00 55.95 57.67 1x48 s SER 3 Cb -0.15 -2.37 0.00 0.00 -1.71 0.00 0.00 66.02 61.80 1x48 s SER 3 CO 0.08 -0.38 0.00 0.61 1.20 0.00 0.00 173.24 174.75 1x48 n GLY 4 N 3.95 2.39 3.40 9.45 0.00 -1.26 -4.51 105.19 118.61 1x48 n GLY 4 Ca 0.01 -1.09 -0.29 0.00 0.00 0.00 0.00 46.02 44.65 1x48 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1x48 s SER 5 N -0.77 3.39 -0.39 1.61 0.15 -1.26 -5.10 113.70 111.34 1x48 s SER 5 Ca 0.00 -0.69 -0.24 0.00 0.70 0.00 0.00 55.95 55.72 1x48 s SER 5 Cb 0.00 -0.29 0.02 0.00 -1.71 0.00 0.00 66.02 64.04 1x48 s SER 5 CO 0.00 0.19 0.85 -0.44 1.20 0.00 0.00 173.24 175.05 1x48 s SER 6 N -1.92 6.57 -0.00 5.45 0.01 -1.26 -4.67 113.70 117.88 1x48 s SER 6 Ca 0.14 0.35 -0.00 0.00 1.31 0.00 0.00 55.95 57.75 1x48 s SER 6 Cb -0.10 -2.43 0.00 0.00 0.21 0.00 0.00 66.02 63.70 1x48 s SER 6 CO 0.06 -0.84 0.00 0.61 0.41 0.00 0.00 173.24 173.48 1x48 n GLY 7 N 4.58 -2.98 0.09 3.44 0.00 -1.26 -5.00 105.19 104.07 1x48 n GLY 7 Ca 0.05 -0.46 -0.09 0.00 0.00 0.00 0.00 46.02 45.52 1x48 n GLY 7 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1x48 n TYR 8 N 0.08 0.30 -0.22 1.61 4.02 -1.26 -4.19 117.16 117.49 1x48 n TYR 8 Ca -0.01 0.11 0.22 0.00 -0.01 0.00 0.00 57.90 58.21 1x48 n TYR 8 Cb 0.01 -1.03 0.41 0.00 -0.02 0.00 0.00 39.34 38.70 1x48 n TYR 8 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 176.86 174.96 1x48 n ILE 9 N -2.81 -0.28 -0.03 -0.72 2.08 -1.26 0.23 119.36 116.55 1x48 n ILE 9 Ca -0.27 1.39 -0.09 0.00 0.56 0.00 0.00 62.75 64.34 1x48 n ILE 9 Cb 1.10 -2.25 -0.14 0.00 -0.75 0.00 0.00 39.64 37.59 1x48 n ILE 9 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1x48 n GLY 10 N -1.19 -0.99 0.34 7.39 0.00 -1.26 -4.36 105.19 105.13 1x48 n GLY 10 Ca 0.26 -0.09 -0.10 0.00 0.00 0.00 0.00 46.02 46.09 1x48 n GLY 10 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1x48 h LEU 11 N 0.00 -1.46 -0.52 0.99 3.38 0.27 -1.84 115.31 116.13 1x48 h LEU 11 Ca -0.33 0.20 0.07 0.00 0.09 0.00 0.00 57.88 57.91 1x48 h LEU 11 Cb 2.05 0.61 -0.10 0.00 0.09 0.00 0.00 40.66 43.31 1x48 h LEU 11 CO 0.07 -0.29 -0.48 0.58 0.09 0.00 0.00 178.44 178.42 1x48 h VAL 12 N -0.26 0.06 -0.98 1.22 2.07 -1.72 0.28 116.25 116.92 1x48 h VAL 12 Ca 0.07 0.00 0.14 0.00 0.82 0.00 0.00 66.70 67.72 1x48 h VAL 12 Cb 0.43 0.06 -0.15 0.00 -1.52 0.00 0.00 31.29 30.11 1x48 h VAL 12 CO -0.49 0.00 -0.43 0.59 0.02 0.00 0.00 177.57 177.26 1x48 n ASN 13 N -5.39 -0.73 0.30 0.57 3.02 -0.74 -1.25 115.26 111.04 1x48 n ASN 13 Ca -0.00 1.72 -0.14 0.00 -0.03 0.00 0.00 54.58 56.13 1x48 n ASN 13 Cb 0.34 -0.36 -0.07 0.00 -0.61 0.00 0.00 39.78 39.09 1x48 n ASN 13 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 1x48 h SER 14 N 0.00 -0.67 -0.33 6.41 0.02 -0.70 -3.27 113.55 115.01 1x48 h SER 14 Ca 0.30 -0.02 0.03 0.00 -0.84 0.00 0.00 61.79 61.26 1x48 h SER 14 Cb 0.55 0.17 -0.04 0.00 0.14 0.00 0.00 62.40 63.22 1x48 h SER 14 CO -0.96 -0.28 -0.19 0.33 -1.14 0.00 0.00 176.83 174.58 1x48 n PHE 15 N -5.32 -0.14 -0.24 3.45 7.35 0.87 -0.70 117.46 122.74 1x48 n PHE 15 Ca -0.11 0.41 -0.06 0.00 -0.76 0.00 0.00 57.45 56.93 1x48 n PHE 15 Cb 0.33 -0.45 -0.06 0.00 0.35 0.00 0.00 39.48 39.66 1x48 n PHE 15 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1x48 n ALA 16 N -3.05 -0.36 -0.17 3.13 0.00 -0.38 0.04 120.51 119.71 1x48 n ALA 16 Ca 0.01 0.48 -0.02 0.00 0.00 0.00 0.00 53.44 53.90 1x48 n ALA 16 Cb 0.08 0.07 0.04 0.00 0.00 0.00 0.00 19.45 19.65 1x48 n ALA 16 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 1x48 h GLN 17 N 0.00 0.01 -1.00 0.00 5.75 -0.96 0.24 115.11 119.14 1x48 h GLN 17 Ca 0.09 -0.00 0.12 0.00 -0.15 0.00 0.00 58.65 58.71 1x48 h GLN 17 Cb 0.23 -0.00 -0.08 0.00 1.07 0.00 0.00 27.48 28.70 1x48 h GLN 17 CO -0.53 0.00 0.63 0.87 -2.65 0.00 0.00 178.83 177.15 1x48 h LYS 18 N 0.01 0.97 -0.72 1.69 1.57 0.11 0.18 116.57 120.38 1x48 h LYS 18 Ca 0.26 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.98 1x48 h LYS 18 Cb 0.39 -0.22 0.00 0.00 0.08 0.00 0.00 32.23 32.48 1x48 h LYS 18 CO -0.54 0.64 0.00 1.63 -0.57 0.00 0.00 179.45 180.61 1x48 n LYS 19 N -4.62 3.57 -3.89 3.15 4.01 0.52 -4.89 118.16 116.02 1x48 n LYS 19 Ca 0.18 -2.09 -0.31 0.00 -0.51 0.00 0.00 58.31 55.59 1x48 n LYS 19 Cb 0.34 -2.00 -0.03 0.00 -0.51 0.00 0.00 35.03 32.82 1x48 n LYS 19 CO 0.00 0.00 0.00 1.63 -1.11 0.00 0.00 177.40 177.92 1x48 n LYS 20 N 0.43 -2.44 -2.85 1.97 4.76 0.63 -4.92 118.16 115.73 1x48 n LYS 20 Ca 0.18 0.28 -0.20 0.00 -2.87 0.00 0.00 58.31 55.71 1x48 n LYS 20 Cb 0.87 -4.93 0.05 0.00 -1.84 0.00 0.00 35.03 29.18 1x48 n LYS 20 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1x48 s LEU 21 N -6.78 3.27 -0.17 -0.35 1.43 0.60 -4.98 118.68 111.70 1x48 s LEU 21 Ca 0.59 -0.45 0.01 0.00 -1.03 0.00 0.00 54.13 53.25 1x48 s LEU 21 Cb -0.33 -2.26 0.01 0.00 0.03 0.00 0.00 46.19 43.64 1x48 s LEU 21 CO 0.73 -1.24 -0.17 -0.44 0.23 0.00 0.00 176.35 175.46 1x48 s SER 22 N -4.54 3.39 -0.13 2.29 0.01 -1.26 -4.42 113.70 109.04 1x48 s SER 22 Ca 0.60 -0.57 -0.03 0.00 1.31 0.00 0.00 55.95 57.26 1x48 s SER 22 Cb -0.08 -1.52 -0.03 0.00 0.21 0.00 0.00 66.02 64.60 1x48 s SER 22 CO 0.38 0.03 -0.02 0.54 0.41 0.00 0.00 173.24 174.59 1x48 s VAL 23 N 1.12 4.09 0.09 3.43 0.11 -1.26 -2.65 120.40 125.32 1x48 s VAL 23 Ca 0.00 -0.30 0.07 0.00 -2.93 0.00 0.00 61.98 58.82 1x48 s VAL 23 Cb -0.14 -2.77 -0.03 0.00 -1.53 0.00 0.00 36.38 31.90 1x48 s VAL 23 CO -0.07 0.53 -0.17 0.20 -3.33 0.00 0.00 175.10 172.26 1x48 s ASN 24 N -0.05 2.08 -0.29 3.54 -0.87 0.35 -5.00 114.94 114.71 1x48 s ASN 24 Ca 0.02 -0.66 0.00 0.00 -1.57 0.00 0.00 52.86 50.66 1x48 s ASN 24 Cb -0.13 -0.09 0.09 0.00 -0.02 0.00 0.00 41.25 41.10 1x48 s ASN 24 CO 0.02 -0.02 0.06 -0.31 -2.57 0.00 0.00 177.10 174.28 1x48 s TYR 25 N -1.27 2.08 -0.11 2.20 1.51 -1.26 -0.45 117.35 120.05 1x48 s TYR 25 Ca 0.02 -1.83 -0.22 0.00 -1.01 0.00 0.00 57.07 54.02 1x48 s TYR 25 Cb -0.10 -1.80 -0.03 0.00 -0.11 0.00 0.00 41.96 39.92 1x48 s TYR 25 CO 0.03 -0.84 0.67 -2.00 -1.11 0.00 0.00 175.55 172.31 1x48 s GLU 26 N 1.49 4.36 0.25 -0.62 2.56 0.06 -4.86 118.70 121.95 1x48 s GLU 26 Ca 0.06 0.79 -0.01 0.00 0.00 0.00 0.00 54.97 55.80 1x48 s GLU 26 Cb -0.18 -3.49 -0.04 0.00 2.00 0.00 0.00 34.13 32.42 1x48 s GLU 26 CO -0.17 -0.03 0.46 -0.65 -0.56 0.00 0.00 175.26 174.31 1x48 s GLN 27 N 1.15 3.54 0.54 4.30 -0.21 -1.26 -1.20 119.66 126.53 1x48 s GLN 27 Ca 0.34 -0.27 -0.20 0.00 0.02 0.00 0.00 55.36 55.25 1x48 s GLN 27 Cb -0.17 -2.76 -0.07 0.00 1.00 0.00 0.00 33.01 31.01 1x48 s GLN 27 CO 0.15 0.31 0.99 0.00 -2.12 0.00 0.00 175.29 174.62 1x48 s GLU 29 N -2.52 4.75 0.00 0.00 -1.05 -1.26 -4.94 118.70 113.69 1x48 s GLU 29 Ca 0.71 1.41 0.15 0.00 -0.15 0.00 0.00 54.97 57.09 1x48 s GLU 29 Cb -0.46 -3.14 0.70 0.00 -0.44 0.00 0.00 34.13 30.79 1x48 s GLU 29 CO 0.51 0.46 1.42 -0.35 0.95 0.00 0.00 175.26 178.25 1x48 n PRO 30 N 1.24 0.14 -1.97 -4.83 -0.04 -1.26 -2.90 135.00 125.37 1x48 n PRO 30 Ca -0.01 0.18 -0.29 0.00 -0.04 0.00 0.00 63.50 63.34 1x48 n PRO 30 Cb 0.48 -1.50 0.03 0.00 -0.04 0.00 0.00 33.50 32.47 1x48 n PRO 30 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1x48 n ASN 31 N -1.36 5.78 -4.95 3.54 3.02 -1.26 -5.03 115.26 115.00 1x48 n ASN 31 Ca 0.06 -3.76 -0.19 0.00 -0.03 0.00 0.00 54.58 50.65 1x48 n ASN 31 Cb 0.13 -0.59 -0.01 0.00 -0.61 0.00 0.00 39.78 38.70 1x48 n ASN 31 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1x48 s SER 32 N -2.91 5.70 -0.29 6.41 0.15 -1.14 -5.02 113.70 116.59 1x48 s SER 32 Ca 0.53 -0.33 -0.28 0.00 0.70 0.00 0.00 55.95 56.58 1x48 s SER 32 Cb 0.43 -1.05 -0.05 0.00 -1.71 0.00 0.00 66.02 63.65 1x48 s SER 32 CO -0.08 -0.47 2.22 -1.61 1.20 0.00 0.00 173.24 174.50 1x48 s GLU 33 N -4.15 2.91 0.57 5.44 8.01 -1.26 -4.85 118.70 125.36 1x48 s GLU 33 Ca 0.46 1.82 -0.19 0.00 0.01 0.00 0.00 54.97 57.07 1x48 s GLU 33 Cb -0.08 -4.41 -0.05 0.00 -4.31 0.00 0.00 34.13 25.29 1x48 s GLU 33 CO 0.30 -2.36 1.13 -0.51 0.01 0.00 0.00 175.26 173.83 1x48 s LEU 34 N 9.07 3.67 0.68 1.80 1.43 -1.26 -4.26 118.68 129.81 1x48 s LEU 34 Ca 0.98 2.14 -0.14 0.00 -1.03 0.00 0.00 54.13 56.08 1x48 s LEU 34 Cb -0.28 -4.58 0.01 0.00 0.03 0.00 0.00 46.19 41.37 1x48 s LEU 34 CO 0.33 -1.31 1.11 -2.16 0.23 0.00 0.00 176.35 174.55 1x48 s PRO 35 N -3.45 2.71 -0.23 1.29 0.04 -1.26 -5.15 135.00 128.96 1x48 s PRO 35 Ca 0.72 1.35 -0.05 0.00 0.04 0.00 0.00 61.00 63.06 1x48 s PRO 35 Cb -0.23 -1.94 -0.02 0.00 0.04 0.00 0.00 34.50 32.35 1x48 s PRO 35 CO 0.30 -1.31 -0.00 1.14 0.04 0.00 0.00 177.00 177.16 1x48 s GLN 36 N -4.23 3.49 0.17 4.56 -2.07 -1.26 -5.10 119.66 115.22 1x48 s GLN 36 Ca 0.66 -0.57 -0.01 0.00 -1.82 0.00 0.00 55.36 53.62 1x48 s GLN 36 Cb -0.20 -3.11 -0.04 0.00 -1.09 0.00 0.00 33.01 28.56 1x48 s GLN 36 CO 0.44 -0.16 0.36 -0.98 -1.32 0.00 0.00 175.29 173.62 1x48 s ARG 37 N 1.44 3.53 0.04 9.60 1.70 -1.26 -5.04 118.95 128.97 1x48 s ARG 37 Ca 0.05 -0.30 -0.30 0.00 -0.47 0.00 0.00 55.73 54.70 1x48 s ARG 37 Cb -0.15 -2.87 -0.08 0.00 -0.57 0.00 0.00 34.95 31.28 1x48 s ARG 37 CO -0.00 0.45 1.72 -0.06 -1.08 0.00 0.00 175.30 176.32 1x48 s PHE 38 N -1.77 2.14 -0.06 5.89 0.40 -1.13 -4.91 117.98 118.54 1x48 s PHE 38 Ca 0.38 0.14 -0.04 0.00 -0.60 0.00 0.00 56.93 56.82 1x48 s PHE 38 Cb -0.12 -4.02 0.03 0.00 0.51 0.00 0.00 43.02 39.43 1x48 s PHE 38 CO 0.28 -4.22 0.15 0.42 0.70 0.00 0.00 175.22 172.55 1x48 s ILE 39 N 3.20 -0.03 -0.10 0.64 1.01 -1.26 -1.10 121.20 123.56 1x48 s ILE 39 Ca 0.77 0.12 0.00 0.00 0.00 0.00 0.00 60.65 61.54 1x48 s ILE 39 Cb -0.39 -0.23 0.02 0.00 0.01 0.00 0.00 42.46 41.86 1x48 s ILE 39 CO 0.33 0.05 -0.09 0.00 0.00 0.00 0.00 174.94 175.23 1x48 s LYS 41 N 1.36 3.76 -0.41 0.00 1.02 -0.34 0.12 119.74 125.25 1x48 s LYS 41 Ca -0.01 -0.40 -0.15 0.00 0.02 0.00 0.00 55.97 55.42 1x48 s LYS 41 Cb -0.14 -3.07 0.02 0.00 -0.52 0.00 0.00 37.83 34.12 1x48 s LYS 41 CO -0.04 0.33 0.33 0.00 -0.92 0.00 0.00 175.35 175.04 1x48 s LYS 43 N 1.78 3.10 -0.39 0.00 1.02 0.40 -2.08 119.74 123.57 1x48 s LYS 43 Ca 0.07 -0.52 -0.03 0.00 0.02 0.00 0.00 55.97 55.51 1x48 s LYS 43 Cb -0.18 -2.73 0.10 0.00 -0.52 0.00 0.00 37.83 34.50 1x48 s LYS 43 CO 0.11 0.52 0.17 0.42 -0.92 0.00 0.00 175.35 175.66 1x48 s ILE 44 N -0.42 3.25 -0.74 2.17 -1.09 -0.04 -0.49 121.20 123.84 1x48 s ILE 44 Ca 0.07 -1.96 -0.00 0.00 -2.23 0.00 0.00 60.65 56.53 1x48 s ILE 44 Cb -0.12 -3.18 -0.00 0.00 -1.58 0.00 0.00 42.46 37.57 1x48 s ILE 44 CO 0.02 -0.61 0.62 0.61 -1.23 0.00 0.00 174.94 174.36 1x48 n GLY 45 N 4.60 -0.09 2.45 6.18 0.00 -1.09 -2.84 105.19 114.40 1x48 n GLY 45 Ca -0.04 -0.08 -0.19 0.00 0.00 0.00 0.00 46.02 45.71 1x48 n GLY 45 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1x48 n GLN 46 N -2.92 -1.45 -4.93 1.61 1.13 -1.26 -4.98 117.38 104.57 1x48 n GLN 46 Ca -0.17 1.04 -0.28 0.00 -1.94 0.00 0.00 57.00 55.65 1x48 n GLN 46 Cb 0.60 -5.50 -0.16 0.00 0.11 0.00 0.00 30.24 25.29 1x48 n GLN 46 CO 0.00 0.00 0.00 0.99 -1.44 0.00 0.00 177.06 176.61 1x48 s THR 47 N -2.86 1.60 -0.26 5.09 2.01 -1.13 -5.10 115.64 114.99 1x48 s THR 47 Ca 0.00 -0.79 -0.29 0.00 0.31 0.00 0.00 61.69 60.92 1x48 s THR 47 Cb 0.00 -1.38 -0.02 0.00 0.01 0.00 0.00 72.50 71.11 1x48 s THR 47 CO 0.00 0.46 1.53 -0.32 -0.69 0.00 0.00 174.62 175.60 1x48 s MET 48 N 0.18 3.78 -0.04 4.92 1.75 -1.26 -0.86 119.30 127.77 1x48 s MET 48 Ca -0.09 1.48 -0.08 0.00 -1.25 0.00 0.00 55.69 55.76 1x48 s MET 48 Cb -0.14 -4.01 -0.03 0.00 2.84 0.00 0.00 34.83 33.50 1x48 s MET 48 CO 0.04 -1.31 -0.15 0.66 -0.65 0.00 0.00 175.02 173.61 1x48 n TYR 49 N 8.39 0.00 -4.16 4.11 4.02 -1.14 -4.94 117.16 123.43 1x48 n TYR 49 Ca 0.18 0.00 -0.10 0.00 -0.01 0.00 0.00 57.90 57.97 1x48 n TYR 49 Cb 0.46 -0.21 -0.10 0.00 -0.02 0.00 0.00 39.34 39.47 1x48 n TYR 49 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 176.86 176.05 1x48 s GLY 50 N -4.14 0.76 -0.13 2.72 0.00 -0.89 -4.37 107.32 101.28 1x48 s GLY 50 Ca -0.12 -1.35 -0.04 0.00 0.00 0.00 0.00 44.72 43.21 1x48 s GLY 50 CO 0.18 -1.44 0.10 -1.59 0.00 0.00 0.00 173.10 170.35 1x48 s THR 51 N -3.66 -0.13 0.00 0.90 2.01 -1.26 -0.56 115.64 112.94 1x48 s THR 51 Ca 0.12 0.05 -0.01 0.00 0.31 0.00 0.00 61.69 62.16 1x48 s THR 51 Cb 0.06 -0.44 -0.04 0.00 0.01 0.00 0.00 72.50 72.08 1x48 s THR 51 CO -0.05 -0.11 0.12 -0.83 -0.69 0.00 0.00 174.62 173.06 1x48 s GLY 52 N 2.18 2.08 -0.09 4.40 0.00 0.12 -4.69 107.32 111.32 1x48 s GLY 52 Ca 0.03 -0.84 -0.04 0.00 0.00 0.00 0.00 44.72 43.87 1x48 s GLY 52 CO -0.07 -0.74 0.20 -1.35 0.00 0.00 0.00 173.10 171.14 1x48 s SER 53 N -1.90 -0.03 0.11 1.64 1.04 -1.26 -0.30 113.70 113.01 1x48 s SER 53 Ca 0.26 0.42 -0.03 0.00 0.48 0.00 0.00 55.95 57.08 1x48 s SER 53 Cb -0.12 0.33 0.01 0.00 0.10 0.00 0.00 66.02 66.34 1x48 s SER 53 CO 0.17 -0.18 0.19 0.61 0.98 0.00 0.00 173.24 175.02 1x48 n GLY 54 N 4.46 2.20 0.17 7.32 0.00 -0.26 -4.74 105.19 114.34 1x48 n GLY 54 Ca -0.22 -1.24 -0.10 0.00 0.00 0.00 0.00 46.02 44.45 1x48 n GLY 54 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 1x48 h VAL 55 N 1.30 1.39 -2.85 1.61 -1.51 -1.97 -3.00 116.25 111.21 1x48 h VAL 55 Ca -0.09 -2.22 -0.62 0.00 -1.23 0.00 0.00 66.70 62.54 1x48 h VAL 55 Cb 0.36 2.18 -0.14 0.00 -2.13 0.00 0.00 31.29 31.57 1x48 h VAL 55 CO 0.12 0.67 -0.72 -0.89 -1.23 0.00 0.00 177.57 175.52 1x48 s THR 56 N -3.53 3.15 0.10 7.19 2.01 -1.26 -4.33 115.64 118.96 1x48 s THR 56 Ca -0.06 -1.75 -0.32 0.00 0.31 0.00 0.00 61.69 59.87 1x48 s THR 56 Cb 0.10 -2.58 -0.13 0.00 0.01 0.00 0.00 72.50 69.89 1x48 s THR 56 CO 0.84 -0.16 1.60 0.50 -0.69 0.00 0.00 174.62 176.71 1x48 h LYS 57 N 2.74 -0.76 -1.00 4.92 3.11 -1.89 -2.13 116.57 121.56 1x48 h LYS 57 Ca -0.46 0.05 0.20 0.00 -2.81 0.00 0.00 60.65 57.63 1x48 h LYS 57 Cb 1.21 0.17 -0.11 0.00 -1.00 0.00 0.00 32.23 32.51 1x48 h LYS 57 CO 0.55 -0.50 0.60 0.37 -2.81 0.00 0.00 179.45 177.65 1x48 h GLN 58 N -0.79 0.69 -0.11 1.90 5.75 -1.99 -1.07 115.11 119.50 1x48 h GLN 58 Ca -0.02 -0.04 0.04 0.00 -0.15 0.00 0.00 58.65 58.48 1x48 h GLN 58 Cb 0.71 -0.16 -0.05 0.00 1.07 0.00 0.00 27.48 29.05 1x48 h GLN 58 CO -0.09 0.46 -0.22 1.49 -2.65 0.00 0.00 178.83 177.82 1x48 h GLU 59 N 0.72 -0.28 0.38 1.69 4.57 -1.80 -1.30 114.58 118.55 1x48 h GLU 59 Ca 0.59 0.02 -0.02 0.00 -1.18 0.00 0.00 59.36 58.77 1x48 h GLU 59 Cb 0.96 0.06 0.00 0.00 -0.16 0.00 0.00 28.75 29.62 1x48 h GLU 59 CO -0.40 -0.19 -0.18 0.00 -1.18 0.00 0.00 179.01 177.06 1x48 h ALA 60 N 0.67 -0.92 -0.77 2.92 0.00 -0.92 -2.66 119.26 117.57 1x48 h ALA 60 Ca 0.09 -0.11 0.17 0.00 0.00 0.00 0.00 54.91 55.07 1x48 h ALA 60 Cb 0.43 0.20 -0.15 0.00 0.00 0.00 0.00 17.79 18.27 1x48 h ALA 60 CO -0.28 -0.89 -0.13 1.17 0.00 0.00 0.00 179.25 179.12 1x48 n LYS 61 N -3.64 -0.07 0.09 0.00 4.81 -0.60 -0.33 118.16 118.44 1x48 n LYS 61 Ca -0.06 1.19 -0.04 0.00 -0.87 0.00 0.00 58.31 58.53 1x48 n LYS 61 Cb 0.20 -1.82 -0.02 0.00 0.02 0.00 0.00 35.03 33.41 1x48 n LYS 61 CO 0.00 0.00 0.00 1.96 1.17 0.00 0.00 177.40 180.53 1x48 h GLN 62 N 0.00 -0.26 -0.70 1.64 4.20 -1.22 -3.10 115.11 115.67 1x48 h GLN 62 Ca 0.40 0.02 0.14 0.00 0.06 0.00 0.00 58.65 59.27 1x48 h GLN 62 Cb 0.68 0.06 -0.13 0.00 0.30 0.00 0.00 27.48 28.39 1x48 h GLN 62 CO -0.78 -0.17 -0.21 -0.07 -0.67 0.00 0.00 178.83 176.93 1x48 h LEU 63 N -0.27 -0.75 -0.70 1.46 3.38 -0.64 -1.08 115.31 116.70 1x48 h LEU 63 Ca -0.02 0.22 0.11 0.00 0.09 0.00 0.00 57.88 58.27 1x48 h LEU 63 Cb 0.22 0.47 -0.11 0.00 0.09 0.00 0.00 40.66 41.32 1x48 h LEU 63 CO 0.02 -0.25 -0.27 0.00 0.09 0.00 0.00 178.44 178.03 1x48 n ALA 64 N -3.19 -0.08 -0.18 1.53 0.00 0.56 0.17 120.51 119.31 1x48 n ALA 64 Ca 0.09 0.70 -0.00 0.00 0.00 0.00 0.00 53.44 54.22 1x48 n ALA 64 Cb 0.37 -0.31 0.09 0.00 0.00 0.00 0.00 19.45 19.60 1x48 n ALA 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1x48 h ALA 65 N 0.97 0.67 -0.77 0.00 0.00 -1.16 -2.16 119.26 116.80 1x48 h ALA 65 Ca 0.24 0.11 0.11 0.00 0.00 0.00 0.00 54.91 55.37 1x48 h ALA 65 Cb 0.42 0.15 -0.12 0.00 0.00 0.00 0.00 17.79 18.23 1x48 h ALA 65 CO -0.69 -0.29 -0.45 -0.22 0.00 0.00 0.00 179.25 177.60 1x48 h LYS 66 N 0.27 -0.12 -0.38 0.00 3.64 0.18 0.26 116.57 120.42 1x48 h LYS 66 Ca 0.29 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.68 1x48 h LYS 66 Cb 0.41 0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.24 1x48 h LYS 66 CO -0.36 -0.08 0.24 0.93 -2.27 0.00 0.00 179.45 177.91 1x48 h GLU 67 N -0.12 0.51 -0.33 1.90 5.08 -1.30 -2.89 114.58 117.42 1x48 h GLU 67 Ca 0.22 -0.04 0.07 0.00 -1.00 0.00 0.00 59.36 58.61 1x48 h GLU 67 Cb 0.54 -0.11 -0.07 0.00 0.50 0.00 0.00 28.75 29.62 1x48 h GLU 67 CO -0.81 0.36 -0.11 0.00 -1.00 0.00 0.00 179.01 177.45 1x48 h ALA 68 N 1.11 0.18 -0.58 3.43 0.00 -0.28 -1.93 119.26 121.19 1x48 h ALA 68 Ca 0.14 0.13 0.11 0.00 0.00 0.00 0.00 54.91 55.29 1x48 h ALA 68 Cb -0.02 0.30 -0.11 0.00 0.00 0.00 0.00 17.79 17.96 1x48 h ALA 68 CO -0.03 -0.49 -0.19 -0.92 0.00 0.00 0.00 179.25 177.63 1x48 h TYR 69 N -0.04 -0.44 -0.79 0.00 3.20 -0.41 0.62 116.97 119.11 1x48 h TYR 69 Ca 0.16 0.06 0.04 0.00 3.14 0.00 0.00 58.73 62.13 1x48 h TYR 69 Cb 0.29 0.28 -0.05 0.00 1.54 0.00 0.00 36.73 38.79 1x48 h TYR 69 CO -0.33 -0.29 0.50 1.96 -1.64 0.00 0.00 178.16 178.36 1x48 h GLN 70 N -0.05 0.92 -0.73 1.82 4.20 -1.29 -1.43 115.11 118.56 1x48 h GLN 70 Ca 0.27 -0.06 0.09 0.00 0.06 0.00 0.00 58.65 59.02 1x48 h GLN 70 Cb 0.46 -0.21 -0.05 0.00 0.30 0.00 0.00 27.48 27.99 1x48 h GLN 70 CO -0.62 0.61 0.48 -0.22 -0.67 0.00 0.00 178.83 178.41 1x48 h LYS 71 N 0.95 0.61 0.33 1.46 1.63 -0.18 -2.13 116.57 119.24 1x48 h LYS 71 Ca 0.32 -0.04 -0.02 0.00 -0.85 0.00 0.00 60.65 60.07 1x48 h LYS 71 Cb 0.06 -0.14 0.00 0.00 -0.60 0.00 0.00 32.23 31.55 1x48 h LYS 71 CO -0.13 0.41 -0.16 -0.07 -3.45 0.00 0.00 179.45 176.05 1x48 h LEU 72 N 0.63 -0.37 -0.85 5.20 3.38 -0.46 -0.25 115.31 122.59 1x48 h LEU 72 Ca 0.33 -0.14 0.21 0.00 0.09 0.00 0.00 57.88 58.37 1x48 h LEU 72 Cb 0.46 0.10 -0.15 0.00 0.09 0.00 0.00 40.66 41.16 1x48 h LEU 72 CO -0.12 0.08 0.08 -0.07 0.09 0.00 0.00 178.44 178.50 1x48 h LEU 73 N -0.99 -0.28 -0.13 1.67 3.38 -1.13 0.36 115.31 118.20 1x48 h LEU 73 Ca -0.05 0.22 -0.08 0.00 0.09 0.00 0.00 57.88 58.06 1x48 h LEU 73 Cb 0.50 0.36 0.00 0.00 0.09 0.00 0.00 40.66 41.60 1x48 h LEU 73 CO 0.07 -0.21 -0.23 0.11 0.09 0.00 0.00 178.44 178.27 1x48 h LYS 74 N 0.11 0.38 -2.79 1.13 1.57 -1.44 -3.40 116.57 112.13 1x48 h LYS 74 Ca 0.50 -0.24 -0.60 0.00 -1.87 0.00 0.00 60.65 58.44 1x48 h LYS 74 Cb 0.95 0.03 -0.40 0.00 0.08 0.00 0.00 32.23 32.90 1x48 h LYS 74 CO -0.72 0.83 -0.79 0.45 -0.57 0.00 0.00 179.45 178.65 1x48 s SER 75 N -6.27 3.19 1.01 0.86 0.15 0.11 -5.11 113.70 107.64 1x48 s SER 75 Ca -0.14 -2.84 -0.12 0.00 0.70 0.00 0.00 55.95 53.54 1x48 s SER 75 Cb 0.05 -0.88 0.19 0.00 -1.71 0.00 0.00 66.02 63.67 1x48 s SER 75 CO 0.77 -0.22 1.09 -2.16 1.20 0.00 0.00 173.24 173.92 1x48 s PRO 76 N 0.13 0.33 0.00 5.44 0.04 0.10 -4.29 135.00 136.76 1x48 s PRO 76 Ca 0.22 0.49 0.14 0.00 0.04 0.00 0.00 61.00 61.89 1x48 s PRO 76 Cb -0.15 -1.73 0.67 0.00 0.04 0.00 0.00 34.50 33.34 1x48 s PRO 76 CO -0.07 -2.79 1.43 -0.35 0.04 0.00 0.00 177.00 175.26 1x48 n PRO 77 N -4.21 0.10 -3.87 0.56 -0.04 -1.26 -4.72 135.00 121.56 1x48 n PRO 77 Ca 0.05 0.20 -0.11 0.00 -0.04 0.00 0.00 63.50 63.60 1x48 n PRO 77 Cb 0.57 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.44 1x48 n PRO 77 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 1x48 s LYS 78 N -2.79 0.50 0.08 0.54 2.20 -1.26 -5.12 119.74 113.88 1x48 s LYS 78 Ca 0.10 -0.41 -0.31 0.00 -0.36 0.00 0.00 55.97 54.99 1x48 s LYS 78 Cb 0.10 0.21 -0.09 0.00 -1.51 0.00 0.00 37.83 36.53 1x48 s LYS 78 CO 0.24 -0.12 1.76 -0.08 -0.36 0.00 0.00 175.35 176.79 1x48 s THR 79 N -1.46 2.87 -0.41 3.43 -1.32 -1.26 -4.90 115.64 112.59 1x48 s THR 79 Ca -0.14 0.27 0.04 0.00 -1.21 0.00 0.00 61.69 60.66 1x48 s THR 79 Cb -0.07 -3.18 0.47 0.00 -1.51 0.00 0.00 72.50 68.21 1x48 s THR 79 CO 0.01 -0.00 1.52 0.00 -2.21 0.00 0.00 174.62 173.94 1x48 n ALA 80 N 5.95 5.33 0.00 11.08 0.00 -1.26 -5.06 120.51 136.55 1x48 n ALA 80 Ca 0.17 -3.57 0.00 0.00 0.00 0.00 0.00 53.44 50.04 1x48 n ALA 80 Cb 0.40 -0.87 0.00 0.00 0.00 0.00 0.00 19.45 18.98 1x48 n ALA 80 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1x48 n GLY 81 N -0.86 -0.15 3.07 0.00 0.00 -1.26 -5.01 105.19 100.98 1x48 n GLY 81 Ca 0.48 -1.75 -0.16 0.00 0.00 0.00 0.00 46.02 44.60 1x48 n GLY 81 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1x48 s THR 82 N -2.24 0.70 -1.39 2.61 2.01 -1.26 -4.84 115.64 111.23 1x48 s THR 82 Ca 0.00 -0.90 -0.02 0.00 0.31 0.00 0.00 61.69 61.09 1x48 s THR 82 Cb 0.00 -0.69 0.01 0.00 0.01 0.00 0.00 72.50 71.83 1x48 s THR 82 CO 0.00 -0.17 0.58 -0.24 -0.69 0.00 0.00 174.62 174.10 1x48 n SER 83 N 1.87 -1.05 -4.42 3.53 2.88 -1.26 -4.98 113.62 110.20 1x48 n SER 83 Ca -0.19 -0.92 -0.25 0.00 -1.33 0.00 0.00 58.87 56.17 1x48 n SER 83 Cb 0.55 -3.48 -0.11 0.00 -0.75 0.00 0.00 64.21 60.42 1x48 n SER 83 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1x48 s GLY 84 N -4.25 1.69 -0.49 0.46 0.00 -1.26 -5.08 107.32 98.39 1x48 s GLY 84 Ca 0.08 -1.67 -0.27 0.00 0.00 0.00 0.00 44.72 42.86 1x48 s GLY 84 CO 0.86 -1.71 1.78 2.56 0.00 0.00 0.00 173.10 176.59 1x48 s PRO 85 N -2.88 3.00 0.24 2.90 0.04 -1.26 -4.99 135.00 132.05 1x48 s PRO 85 Ca 0.22 0.95 -0.02 0.00 0.04 0.00 0.00 61.00 62.18 1x48 s PRO 85 Cb -0.07 -4.28 -0.04 0.00 0.04 0.00 0.00 34.50 30.15 1x48 s PRO 85 CO 0.10 -2.28 0.46 -1.12 0.04 0.00 0.00 177.00 174.20 1x48 s SER 86 N 6.87 6.40 -0.07 6.66 0.01 -1.26 -5.10 113.70 127.21 1x48 s SER 86 Ca 0.71 0.51 0.05 0.00 1.31 0.00 0.00 55.95 58.53 1x48 s SER 86 Cb -0.16 -2.06 -0.01 0.00 0.21 0.00 0.00 66.02 64.00 1x48 s SER 86 CO 0.27 -0.11 -0.24 -0.55 0.41 0.00 0.00 173.24 173.02 1x48 s SER 87 N -3.22 3.18 0.00 2.44 0.15 -1.26 -5.22 113.70 109.76 1x48 s SER 87 Ca 0.40 -0.49 0.00 0.00 0.70 0.00 0.00 55.95 56.56 1x48 s SER 87 Cb -0.11 -0.96 0.00 0.00 -1.71 0.00 0.00 66.02 63.24 1x48 s SER 87 CO 0.30 0.23 0.00 0.61 1.20 0.00 0.00 173.24 175.58