#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x48 n SER 2 N 0.00 1.91 -3.62 1.61 7.64 -1.26 -4.99 113.62 114.91 1x48 n SER 2 Ca 0.00 0.40 -0.06 0.00 1.01 0.00 0.00 58.87 60.22 1x48 n SER 2 Cb 0.00 -0.87 -0.08 0.00 -1.01 0.00 0.00 64.21 62.25 1x48 n SER 2 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1x48 s SER 3 N -6.91 -0.51 0.00 6.43 1.04 -1.26 -5.16 113.70 107.32 1x48 s SER 3 Ca -0.32 1.10 0.00 0.00 0.48 0.00 0.00 55.95 57.22 1x48 s SER 3 Cb 0.09 1.63 0.00 0.00 0.10 0.00 0.00 66.02 67.84 1x48 s SER 3 CO 0.49 -0.23 0.00 0.61 0.98 0.00 0.00 173.24 175.09 1x48 n GLY 4 N 5.41 5.69 3.53 7.32 0.00 -1.26 -5.18 105.19 120.69 1x48 n GLY 4 Ca -0.09 -1.65 -0.24 0.00 0.00 0.00 0.00 46.02 44.04 1x48 n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1x48 s SER 5 N 1.00 2.99 0.00 1.61 1.04 -1.26 -5.14 113.70 113.95 1x48 s SER 5 Ca 0.00 -1.40 -0.12 0.00 0.48 0.00 0.00 55.95 54.91 1x48 s SER 5 Cb 0.00 -0.14 -0.05 0.00 0.10 0.00 0.00 66.02 65.92 1x48 s SER 5 CO 0.00 -0.58 0.37 -0.55 0.98 0.00 0.00 173.24 173.46 1x48 s SER 6 N -3.59 6.71 0.00 7.02 0.15 -1.26 -4.76 113.70 117.97 1x48 s SER 6 Ca 0.34 0.85 0.00 0.00 0.70 0.00 0.00 55.95 57.84 1x48 s SER 6 Cb 0.09 -2.21 0.00 0.00 -1.71 0.00 0.00 66.02 62.19 1x48 s SER 6 CO 0.16 0.30 0.00 0.61 1.20 0.00 0.00 173.24 175.51 1x48 n GLY 7 N 1.61 0.66 0.09 9.45 0.00 -1.26 -5.04 105.19 110.70 1x48 n GLY 7 Ca -0.13 -0.65 -0.10 0.00 0.00 0.00 0.00 46.02 45.14 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 -0.05 0.83 -0.35 1.61 4.02 -1.26 -4.10 117.16 117.85 1x48 n TYR 8 Ca 0.00 0.29 0.29 0.00 -0.01 0.00 0.00 57.90 58.47 1x48 n TYR 8 Cb 0.02 -1.15 0.49 0.00 -0.02 0.00 0.00 39.34 38.67 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 -3.03 -0.16 -0.05 -0.72 2.08 -1.26 0.19 119.36 116.41 1x48 n ILE 9 Ca -0.21 1.25 -0.14 0.00 0.56 0.00 0.00 62.75 64.21 1x48 n ILE 9 Cb 1.07 -2.05 -0.14 0.00 -0.75 0.00 0.00 39.64 37.77 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 -1.39 -0.76 0.32 7.39 0.00 -1.26 -4.33 105.19 105.15 1x48 n GLY 10 Ca 0.29 -0.20 0.17 0.00 0.00 0.00 0.00 46.02 46.29 1x48 n GLY 10 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1x48 n LEU 11 N -3.14 -0.01 0.48 0.99 4.77 0.52 -0.40 117.00 120.20 1x48 n LEU 11 Ca -0.30 1.58 -0.19 0.00 -0.03 0.00 0.00 56.01 57.07 1x48 n LEU 11 Cb 1.06 -0.62 -0.09 0.00 -2.33 0.00 0.00 43.42 41.44 1x48 n LEU 11 CO 0.41 -1.64 0.53 0.58 -1.33 0.00 0.00 177.39 175.94 1x48 h VAL 12 N 0.00 0.06 -0.97 4.08 2.07 -1.72 0.40 116.25 120.18 1x48 h VAL 12 Ca 0.62 -0.06 0.16 0.00 0.82 0.00 0.00 66.70 68.24 1x48 h VAL 12 Cb 1.38 0.07 -0.16 0.00 -1.52 0.00 0.00 31.29 31.05 1x48 h VAL 12 CO -0.84 0.00 -0.34 0.59 0.02 0.00 0.00 177.57 177.00 1x48 n ASN 13 N -5.59 -0.55 0.19 0.57 3.02 0.47 -0.36 115.26 113.00 1x48 n ASN 13 Ca -0.16 1.68 -0.08 0.00 -0.03 0.00 0.00 54.58 55.99 1x48 n ASN 13 Cb 0.48 -0.42 -0.04 0.00 -0.61 0.00 0.00 39.78 39.19 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 -0.46 -0.83 6.41 0.02 -1.36 -3.22 113.55 114.12 1x48 h SER 14 Ca 0.37 0.02 0.10 0.00 -0.84 0.00 0.00 61.79 61.43 1x48 h SER 14 Cb 0.61 0.12 -0.11 0.00 0.14 0.00 0.00 62.40 63.16 1x48 h SER 14 CO -0.97 -0.08 -0.41 0.33 -1.14 0.00 0.00 176.83 174.56 1x48 n PHE 15 N -4.86 -0.19 -0.08 3.45 -0.00 0.14 -0.35 117.46 115.57 1x48 n PHE 15 Ca -0.07 1.03 -0.06 0.00 -0.00 0.00 0.00 57.45 58.35 1x48 n PHE 15 Cb 0.21 -0.67 -0.05 0.00 -0.00 0.00 0.00 39.48 38.98 1x48 n PHE 15 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1x48 h ALA 16 N 0.73 -0.48 -0.54 3.13 0.00 -0.80 0.31 119.26 121.61 1x48 h ALA 16 Ca 0.20 0.01 0.10 0.00 0.00 0.00 0.00 54.91 55.22 1x48 h ALA 16 Cb 0.41 0.94 -0.08 0.00 0.00 0.00 0.00 17.79 19.05 1x48 h ALA 16 CO -0.79 -0.61 0.05 0.37 0.00 0.00 0.00 179.25 178.27 1x48 h GLN 17 N -0.16 0.17 -0.93 0.00 -0.00 -1.06 0.16 115.11 113.30 1x48 h GLN 17 Ca 0.04 -0.01 0.13 0.00 -0.00 0.00 0.00 58.65 58.80 1x48 h GLN 17 Cb 0.26 -0.04 -0.07 0.00 0.00 0.00 0.00 27.48 27.63 1x48 h GLN 17 CO -0.29 0.11 0.59 0.87 0.00 0.00 0.00 178.83 180.11 1x48 h LYS 18 N 0.17 0.81 -0.69 1.69 1.57 0.39 0.28 116.57 120.80 1x48 h LYS 18 Ca 0.28 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 59.01 1x48 h LYS 18 Cb 0.41 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.54 1x48 h LYS 18 CO -0.41 0.54 0.00 1.63 -0.57 0.00 0.00 179.45 180.64 1x48 n LYS 19 N -4.58 3.15 -2.63 3.15 4.01 0.99 -4.88 118.16 117.38 1x48 n LYS 19 Ca 0.17 -1.88 -0.12 0.00 -0.51 0.00 0.00 58.31 55.97 1x48 n LYS 19 Cb 0.40 -1.86 -0.00 0.00 -0.51 0.00 0.00 35.03 33.05 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 0.47 -2.57 -2.69 1.97 5.02 0.99 -4.93 118.16 116.41 1x48 n LYS 20 Ca 0.17 0.46 -0.21 0.00 -2.02 0.00 0.00 58.31 56.71 1x48 n LYS 20 Cb 0.75 -5.06 0.06 0.00 -0.02 0.00 0.00 35.03 30.76 1x48 n LYS 20 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1x48 s LEU 21 N -5.67 3.18 -0.19 -0.35 1.43 0.36 -4.98 118.68 112.46 1x48 s LEU 21 Ca 0.08 -0.27 -0.00 0.00 -1.03 0.00 0.00 54.13 52.91 1x48 s LEU 21 Cb -0.04 -2.40 0.01 0.00 0.03 0.00 0.00 46.19 43.79 1x48 s LEU 21 CO 0.09 -1.39 -0.16 -0.44 0.23 0.00 0.00 176.35 174.69 1x48 s SER 22 N -4.56 3.48 -0.17 2.29 0.01 -1.26 -4.34 113.70 109.15 1x48 s SER 22 Ca 0.61 -0.57 -0.07 0.00 1.31 0.00 0.00 55.95 57.23 1x48 s SER 22 Cb -0.08 -1.55 -0.04 0.00 0.21 0.00 0.00 66.02 64.56 1x48 s SER 22 CO 0.40 0.00 0.07 0.54 0.41 0.00 0.00 173.24 174.66 1x48 s VAL 23 N 1.29 4.83 0.13 3.43 0.11 -1.26 0.12 120.40 129.05 1x48 s VAL 23 Ca 0.04 -0.02 0.07 0.00 -2.93 0.00 0.00 61.98 59.14 1x48 s VAL 23 Cb -0.14 -3.16 -0.04 0.00 -1.53 0.00 0.00 36.38 31.52 1x48 s VAL 23 CO -0.09 0.48 -0.17 0.21 -3.33 0.00 0.00 175.10 172.20 1x48 s ASN 24 N 0.17 2.32 -0.30 3.54 2.47 0.10 -4.96 114.94 118.28 1x48 s ASN 24 Ca 0.05 -0.78 -0.01 0.00 0.42 0.00 0.00 52.86 52.54 1x48 s ASN 24 Cb -0.12 -0.11 0.10 0.00 -1.45 0.00 0.00 41.25 39.66 1x48 s ASN 24 CO 0.00 -0.05 0.09 -0.31 -3.72 0.00 0.00 177.10 173.11 1x48 s TYR 25 N -1.78 1.66 0.04 0.43 2.02 -1.26 0.11 117.35 118.57 1x48 s TYR 25 Ca 0.09 -1.67 -0.19 0.00 -0.37 0.00 0.00 57.07 54.93 1x48 s TYR 25 Cb -0.07 -1.66 -0.06 0.00 -0.40 0.00 0.00 41.96 39.78 1x48 s TYR 25 CO 0.04 -0.86 0.57 -1.21 -1.57 0.00 0.00 175.55 172.52 1x48 s GLU 26 N 1.63 4.23 -0.05 -0.62 2.02 0.35 -4.85 118.70 121.42 1x48 s GLU 26 Ca 0.09 0.71 0.03 0.00 0.02 0.00 0.00 54.97 55.82 1x48 s GLU 26 Cb -0.17 -3.28 -0.03 0.00 0.10 0.00 0.00 34.13 30.75 1x48 s GLU 26 CO -0.24 0.53 -0.13 -1.14 0.02 0.00 0.00 175.26 174.30 1x48 s GLN 27 N -0.72 2.54 0.59 1.61 0.74 -1.26 -0.21 119.66 122.95 1x48 s GLN 27 Ca 0.29 -0.68 -0.03 0.00 0.05 0.00 0.00 55.36 55.00 1x48 s GLN 27 Cb -0.19 -2.41 0.03 0.00 1.10 0.00 0.00 33.01 31.55 1x48 s GLN 27 CO 0.18 0.62 0.85 0.00 -0.55 0.00 0.00 175.29 176.39 1x48 s GLU 29 N -4.92 4.09 -0.45 0.00 8.01 -1.26 -4.82 118.70 119.36 1x48 s GLU 29 Ca 0.56 0.97 -0.28 0.00 0.01 0.00 0.00 54.97 56.23 1x48 s GLU 29 Cb -0.10 -2.22 -0.01 0.00 -4.31 0.00 0.00 34.13 27.48 1x48 s GLU 29 CO 0.41 -0.07 1.76 -1.25 0.01 0.00 0.00 175.26 176.12 1x48 s PRO 30 N -3.45 3.12 0.35 0.39 0.04 -1.26 -4.99 135.00 129.20 1x48 s PRO 30 Ca 0.59 1.05 -0.17 0.00 0.04 0.00 0.00 61.00 62.51 1x48 s PRO 30 Cb -0.10 -4.24 -0.09 0.00 0.04 0.00 0.00 34.50 30.11 1x48 s PRO 30 CO 0.20 -2.13 0.79 -0.80 0.04 0.00 0.00 177.00 175.10 1x48 s ASN 31 N 6.47 6.83 0.30 6.66 -0.87 -1.26 -4.96 114.94 128.11 1x48 s ASN 31 Ca 0.72 1.40 0.05 0.00 -1.57 0.00 0.00 52.86 53.46 1x48 s ASN 31 Cb -0.17 -2.42 0.71 0.00 -0.02 0.00 0.00 41.25 39.34 1x48 s ASN 31 CO 0.29 -0.24 1.80 -1.28 -2.57 0.00 0.00 177.10 175.10 1x48 h SER 32 N 2.22 0.81 -0.76 -1.22 0.87 -1.99 -3.43 113.55 110.04 1x48 h SER 32 Ca -0.48 0.08 -0.66 0.00 -1.23 0.00 0.00 61.79 59.50 1x48 h SER 32 Cb 1.18 -0.07 0.01 0.00 -0.44 0.00 0.00 62.40 63.08 1x48 h SER 32 CO 0.64 0.33 0.47 -1.84 -0.53 0.00 0.00 176.83 175.90 1x48 n GLU 33 N -4.71 0.00 -4.19 2.24 -0.00 -1.26 -4.87 120.64 107.86 1x48 n GLU 33 Ca 0.22 0.00 -0.28 0.00 -0.00 0.00 0.00 57.16 57.10 1x48 n GLU 33 Cb 0.52 -1.15 -0.08 0.00 -0.00 0.00 0.00 31.44 30.73 1x48 n GLU 33 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.13 176.62 1x48 s LEU 34 N 2.00 3.32 0.95 -1.84 1.43 -1.26 -4.06 118.68 119.22 1x48 s LEU 34 Ca 0.79 -0.35 -0.12 0.00 -1.03 0.00 0.00 54.13 53.42 1x48 s LEU 34 Cb -1.12 -2.00 0.16 0.00 0.03 0.00 0.00 46.19 43.25 1x48 s LEU 34 CO 0.60 0.12 1.09 -2.16 0.23 0.00 0.00 176.35 176.23 1x48 s PRO 35 N -2.72 0.83 -0.22 1.29 0.04 -1.26 -5.08 135.00 127.88 1x48 s PRO 35 Ca 0.26 0.67 -0.29 0.00 0.04 0.00 0.00 61.00 61.68 1x48 s PRO 35 Cb -0.10 -1.77 -0.01 0.00 0.04 0.00 0.00 34.50 32.66 1x48 s PRO 35 CO 0.18 -2.49 1.29 -0.65 0.04 0.00 0.00 177.00 175.37 1x48 s GLN 36 N -4.95 4.09 -0.08 4.56 -0.21 -1.26 -5.01 119.66 116.80 1x48 s GLN 36 Ca 0.64 1.50 0.04 0.00 0.02 0.00 0.00 55.36 57.56 1x48 s GLN 36 Cb -0.18 -3.82 0.00 0.00 1.00 0.00 0.00 33.01 30.01 1x48 s GLN 36 CO 0.57 -0.90 -0.20 -0.98 -2.12 0.00 0.00 175.29 171.67 1x48 s ARG 37 N 3.81 2.43 0.48 2.91 1.04 -1.26 -4.72 118.95 123.63 1x48 s ARG 37 Ca 0.56 -0.70 -0.15 0.00 -1.04 0.00 0.00 55.73 54.40 1x48 s ARG 37 Cb -0.20 -1.92 -0.07 0.00 -2.04 0.00 0.00 34.95 30.72 1x48 s ARG 37 CO 0.19 0.16 0.91 -0.06 -0.04 0.00 0.00 175.30 176.46 1x48 s PHE 38 N 0.35 3.46 0.05 5.89 0.40 -0.22 -4.88 117.98 123.04 1x48 s PHE 38 Ca -0.14 1.33 0.05 0.00 -0.60 0.00 0.00 56.93 57.57 1x48 s PHE 38 Cb -0.16 -2.68 -0.03 0.00 0.51 0.00 0.00 43.02 40.67 1x48 s PHE 38 CO 0.06 -0.28 -0.15 0.42 0.70 0.00 0.00 175.22 175.98 1x48 s ILE 39 N -2.53 1.16 -0.22 0.64 -1.09 -1.26 -1.18 121.20 116.72 1x48 s ILE 39 Ca 0.56 -1.15 -0.04 0.00 -2.23 0.00 0.00 60.65 57.79 1x48 s ILE 39 Cb -0.10 -1.08 0.08 0.00 -1.58 0.00 0.00 42.46 39.78 1x48 s ILE 39 CO 0.31 -0.07 0.12 0.00 -1.23 0.00 0.00 174.94 174.07 1x48 s LYS 41 N 2.15 3.57 -0.39 0.00 2.20 0.71 -0.02 119.74 127.96 1x48 s LYS 41 Ca 0.05 -0.18 -0.26 0.00 -0.36 0.00 0.00 55.97 55.22 1x48 s LYS 41 Cb -0.16 -3.83 0.02 0.00 -1.51 0.00 0.00 37.83 32.35 1x48 s LYS 41 CO -0.20 -0.70 0.94 0.00 -0.36 0.00 0.00 175.35 175.03 1x48 s LYS 43 N 3.59 3.19 -0.50 0.00 -0.14 0.12 -3.01 119.74 122.99 1x48 s LYS 43 Ca 0.39 -0.74 -0.19 0.00 -1.36 0.00 0.00 55.97 54.06 1x48 s LYS 43 Cb -0.11 -2.98 0.06 0.00 -1.68 0.00 0.00 37.83 33.11 1x48 s LYS 43 CO 0.21 -0.26 0.62 0.42 -0.76 0.00 0.00 175.35 175.58 1x48 s ILE 44 N 1.42 4.88 -1.36 2.17 -1.09 -0.01 0.03 121.20 127.24 1x48 s ILE 44 Ca 0.04 -0.49 -0.06 0.00 -2.23 0.00 0.00 60.65 57.91 1x48 s ILE 44 Cb -0.15 -4.29 0.03 0.00 -1.58 0.00 0.00 42.46 36.47 1x48 s ILE 44 CO -0.04 -0.80 0.98 0.61 -1.23 0.00 0.00 174.94 174.47 1x48 n GLY 45 N 5.17 -0.44 2.20 6.18 0.00 0.12 -1.38 105.19 117.04 1x48 n GLY 45 Ca -0.07 0.18 -0.09 0.00 0.00 0.00 0.00 46.02 46.05 1x48 n GLY 45 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1x48 n GLN 46 N -4.57 -0.65 -3.99 1.61 -0.06 -1.26 -5.01 117.38 103.45 1x48 n GLN 46 Ca -0.12 0.59 -0.30 0.00 -2.00 0.00 0.00 57.00 55.17 1x48 n GLN 46 Cb 0.60 -4.52 -0.16 0.00 -4.06 0.00 0.00 30.24 22.10 1x48 n GLN 46 CO 0.00 0.00 0.00 0.99 -0.20 0.00 0.00 177.06 177.85 1x48 s THR 47 N -2.38 1.64 -0.30 1.69 2.01 -0.48 -5.08 115.64 112.74 1x48 s THR 47 Ca 0.00 -1.05 -0.28 0.00 0.31 0.00 0.00 61.69 60.67 1x48 s THR 47 Cb 0.00 -1.74 -0.03 0.00 0.01 0.00 0.00 72.50 70.74 1x48 s THR 47 CO 0.00 0.13 1.93 -0.32 -0.69 0.00 0.00 174.62 175.68 1x48 s MET 48 N 1.39 3.26 -0.15 4.92 1.75 -1.26 -0.83 119.30 128.37 1x48 s MET 48 Ca -0.02 1.61 -0.13 0.00 -1.25 0.00 0.00 55.69 55.90 1x48 s MET 48 Cb -0.17 -4.26 -0.06 0.00 2.84 0.00 0.00 34.83 33.19 1x48 s MET 48 CO -0.08 -1.95 -0.27 0.66 -0.65 0.00 0.00 175.02 172.73 1x48 n TYR 49 N 10.79 0.00 -3.89 4.11 4.01 -1.16 -4.98 117.16 126.03 1x48 n TYR 49 Ca 0.25 0.00 -0.09 0.00 -0.16 0.00 0.00 57.90 57.90 1x48 n TYR 49 Cb 0.46 -0.50 -0.05 0.00 -0.31 0.00 0.00 39.34 38.94 1x48 n TYR 49 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 1x48 s GLY 50 N -4.91 0.29 0.04 2.72 0.00 -1.20 -4.47 107.32 99.79 1x48 s GLY 50 Ca -0.25 -0.65 -0.03 0.00 0.00 0.00 0.00 44.72 43.79 1x48 s GLY 50 CO 0.35 -0.59 0.03 -1.08 0.00 0.00 0.00 173.10 171.81 1x48 s THR 51 N -3.95 0.16 0.15 0.90 -1.32 -1.25 -0.34 115.64 109.99 1x48 s THR 51 Ca 0.16 -1.33 0.04 0.00 -1.21 0.00 0.00 61.69 59.35 1x48 s THR 51 Cb 0.01 -1.04 -0.04 0.00 -1.51 0.00 0.00 72.50 69.91 1x48 s THR 51 CO 0.01 -0.73 -0.09 -0.83 -2.21 0.00 0.00 174.62 170.77 1x48 s GLY 52 N -2.35 1.07 -0.09 6.08 0.00 0.98 -3.95 107.32 109.06 1x48 s GLY 52 Ca -0.02 -1.50 -0.06 0.00 0.00 0.00 0.00 44.72 43.15 1x48 s GLY 52 CO -0.06 -1.58 0.21 -1.35 0.00 0.00 0.00 173.10 170.32 1x48 s SER 53 N -3.16 -0.22 -0.09 1.64 1.04 -1.26 -0.29 113.70 111.36 1x48 s SER 53 Ca 0.17 0.44 -0.30 0.00 0.48 0.00 0.00 55.95 56.74 1x48 s SER 53 Cb 0.03 0.39 0.11 0.00 0.10 0.00 0.00 66.02 66.65 1x48 s SER 53 CO 0.01 -0.12 0.90 -0.83 0.98 0.00 0.00 173.24 174.18 1x48 s GLY 54 N 0.68 -0.39 0.60 7.32 0.00 -0.32 -4.43 107.32 110.79 1x48 s GLY 54 Ca -0.05 1.56 0.28 0.00 0.00 0.00 0.00 44.72 46.51 1x48 s GLY 54 CO -0.04 0.77 1.72 -0.39 0.00 0.00 0.00 173.10 175.16 1x48 h VAL 55 N 2.43 0.22 -4.12 1.40 -1.51 -1.84 -0.56 116.25 112.27 1x48 h VAL 55 Ca -0.21 0.00 -0.52 0.00 -1.23 0.00 0.00 66.70 64.74 1x48 h VAL 55 Cb 1.19 0.44 -0.26 0.00 -2.13 0.00 0.00 31.29 30.53 1x48 h VAL 55 CO 0.32 0.00 -0.82 -0.89 -1.23 0.00 0.00 177.57 174.95 1x48 s THR 56 N -4.50 1.40 0.08 7.19 2.01 -1.26 -4.38 115.64 116.17 1x48 s THR 56 Ca -0.04 -1.07 -0.16 0.00 0.31 0.00 0.00 61.69 60.73 1x48 s THR 56 Cb 0.14 -1.23 -0.04 0.00 0.01 0.00 0.00 72.50 71.38 1x48 s THR 56 CO 0.49 0.13 1.26 0.29 -0.69 0.00 0.00 174.62 176.10 1x48 n LYS 57 N 1.93 -0.23 -0.15 4.92 4.76 -1.26 -1.66 118.16 126.47 1x48 n LYS 57 Ca -0.17 1.24 -0.04 0.00 -2.87 0.00 0.00 58.31 56.47 1x48 n LYS 57 Cb 0.54 -1.84 -0.04 0.00 -1.84 0.00 0.00 35.03 31.85 1x48 n LYS 57 CO 0.00 0.00 0.00 0.94 -1.37 0.00 0.00 177.40 176.97 1x48 n GLN 58 N -4.16 -0.16 -0.25 1.97 -0.06 -1.26 0.06 117.38 113.51 1x48 n GLN 58 Ca 0.01 1.14 0.09 0.00 -2.00 0.00 0.00 57.00 56.24 1x48 n GLN 58 Cb 0.13 -1.69 0.18 0.00 -4.06 0.00 0.00 30.24 24.81 1x48 n GLN 58 CO 0.00 0.00 0.00 -1.91 -0.20 0.00 0.00 177.06 174.95 1x48 n GLU 59 N -3.81 -0.06 0.01 3.69 4.07 -0.66 0.05 120.64 123.92 1x48 n GLU 59 Ca 0.01 1.10 -0.00 0.00 -0.06 0.00 0.00 57.16 58.20 1x48 n GLU 59 Cb 0.10 -1.71 -0.00 0.00 -0.06 0.00 0.00 31.44 29.76 1x48 n GLU 59 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1x48 h ALA 60 N 1.45 -0.43 -1.64 4.31 0.00 -0.06 -2.92 119.26 119.96 1x48 h ALA 60 Ca 0.42 -0.00 0.48 0.00 0.00 0.00 0.00 54.91 55.80 1x48 h ALA 60 Cb 0.81 0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.54 1x48 h ALA 60 CO -0.70 -0.43 1.30 1.17 0.00 0.00 0.00 179.25 180.59 1x48 n LYS 61 N -2.12 0.00 0.00 0.00 4.81 0.06 -1.00 118.16 119.92 1x48 n LYS 61 Ca -0.00 1.00 0.00 0.00 -0.87 0.00 0.00 58.31 58.44 1x48 n LYS 61 Cb 0.01 -2.36 0.00 0.00 0.02 0.00 0.00 35.03 32.70 1x48 n LYS 61 CO 0.00 0.00 0.00 1.04 1.17 0.00 0.00 177.40 179.61 1x48 n GLN 62 N -3.63 0.00 -0.31 1.64 6.02 0.11 -3.80 117.38 117.41 1x48 n GLN 62 Ca 0.37 0.48 0.16 0.00 -0.01 0.00 0.00 57.00 58.00 1x48 n GLN 62 Cb 1.79 -1.21 0.35 0.00 1.02 0.00 0.00 30.24 32.19 1x48 n GLN 62 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 1x48 h LEU 63 N 0.00 0.24 -1.48 1.08 3.38 -0.86 0.28 115.31 117.96 1x48 h LEU 63 Ca 0.00 0.18 0.45 0.00 0.09 0.00 0.00 57.88 58.61 1x48 h LEU 63 Cb 0.00 0.19 -0.12 0.00 0.09 0.00 0.00 40.66 40.82 1x48 h LEU 63 CO 0.00 -0.11 0.91 0.00 0.09 0.00 0.00 178.44 179.34 1x48 h ALA 64 N 1.78 2.87 -0.08 1.53 0.00 -1.32 0.70 119.26 124.75 1x48 h ALA 64 Ca 0.61 0.09 -0.12 0.00 0.00 0.00 0.00 54.91 55.49 1x48 h ALA 64 Cb 1.26 0.20 0.01 0.00 0.00 0.00 0.00 17.79 19.26 1x48 h ALA 64 CO -0.61 -1.50 -0.42 0.00 0.00 0.00 0.00 179.25 176.73 1x48 h ALA 65 N 1.54 0.16 -0.40 0.00 0.00 -0.53 -2.75 119.26 117.28 1x48 h ALA 65 Ca 0.83 -0.48 0.04 0.00 0.00 0.00 0.00 54.91 55.31 1x48 h ALA 65 Cb 2.72 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 20.45 1x48 h ALA 65 CO -0.37 0.29 -0.32 -0.22 0.00 0.00 0.00 179.25 178.62 1x48 h LYS 66 N -0.03 -0.11 -0.42 0.00 3.64 0.40 0.28 116.57 120.34 1x48 h LYS 66 Ca -0.03 0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.37 1x48 h LYS 66 Cb 1.07 0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.89 1x48 h LYS 66 CO 0.09 -0.07 0.26 1.49 -2.27 0.00 0.00 179.45 178.94 1x48 h GLU 67 N -0.11 0.51 -0.77 1.90 4.57 -1.65 -2.51 114.58 116.52 1x48 h GLU 67 Ca 0.07 -0.03 0.17 0.00 -1.18 0.00 0.00 59.36 58.38 1x48 h GLU 67 Cb 0.28 -0.11 -0.11 0.00 -0.16 0.00 0.00 28.75 28.64 1x48 h GLU 67 CO -0.43 0.34 0.22 0.00 -1.18 0.00 0.00 179.01 177.95 1x48 h ALA 68 N 1.17 1.04 0.93 2.92 0.00 -0.90 -1.81 119.26 122.61 1x48 h ALA 68 Ca 0.16 0.17 -0.05 0.00 0.00 0.00 0.00 54.91 55.19 1x48 h ALA 68 Cb -0.02 0.21 0.01 0.00 0.00 0.00 0.00 17.79 18.00 1x48 h ALA 68 CO -0.06 -0.33 -0.45 -0.92 0.00 0.00 0.00 179.25 177.49 1x48 h TYR 69 N 0.30 -1.15 -0.96 0.00 3.20 -0.08 -2.58 116.97 115.70 1x48 h TYR 69 Ca 0.44 -0.03 0.30 0.00 3.14 0.00 0.00 58.73 62.59 1x48 h TYR 69 Cb 0.77 0.38 -0.16 0.00 1.54 0.00 0.00 36.73 39.26 1x48 h TYR 69 CO -0.24 -0.72 0.32 1.96 -1.64 0.00 0.00 178.16 177.84 1x48 h GLN 70 N -1.30 0.13 0.38 1.82 1.08 -1.13 0.16 115.11 116.26 1x48 h GLN 70 Ca -0.13 -0.01 -0.01 0.00 -1.45 0.00 0.00 58.65 57.05 1x48 h GLN 70 Cb 0.96 -0.03 -0.00 0.00 -0.05 0.00 0.00 27.48 28.35 1x48 h GLN 70 CO 0.21 0.09 -0.22 0.87 -0.95 0.00 0.00 178.83 178.83 1x48 h LYS 71 N 0.14 -0.55 -1.00 1.46 1.79 -1.15 -2.55 116.57 114.71 1x48 h LYS 71 Ca 0.67 0.04 0.16 0.00 -2.18 0.00 0.00 60.65 59.34 1x48 h LYS 71 Cb 1.50 0.12 -0.10 0.00 -1.58 0.00 0.00 32.23 32.18 1x48 h LYS 71 CO -0.74 -0.36 0.62 -0.07 -1.08 0.00 0.00 179.45 177.82 1x48 h LEU 72 N -0.57 0.82 -2.08 2.94 3.38 -0.33 0.30 115.31 119.77 1x48 h LEU 72 Ca -0.04 0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1x48 h LEU 72 Cb 0.46 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.13 1x48 h LEU 72 CO 0.06 0.35 0.00 -0.07 0.09 0.00 0.00 178.44 178.87 1x48 h LEU 73 N 0.83 0.00 0.00 1.67 3.38 -0.87 -1.51 115.31 118.80 1x48 h LEU 73 Ca 0.54 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.43 1x48 h LEU 73 Cb 0.76 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.50 1x48 h LEU 73 CO -0.32 0.00 -0.47 0.11 0.09 0.00 0.00 178.44 177.85 1x48 h LYS 74 N 0.00 0.00 -2.89 1.13 1.79 -0.21 -3.43 116.57 112.96 1x48 h LYS 74 Ca 0.00 0.00 -0.61 0.00 -2.18 0.00 0.00 60.65 57.86 1x48 h LYS 74 Cb 0.00 0.00 -0.40 0.00 -1.58 0.00 0.00 32.23 30.25 1x48 h LYS 74 CO -0.00 0.89 -0.75 -1.54 -1.08 0.00 0.00 179.45 176.98 1x48 s SER 75 N -6.38 3.48 0.93 0.86 1.04 -0.24 -5.05 113.70 108.33 1x48 s SER 75 Ca -0.21 -2.95 -0.12 0.00 0.48 0.00 0.00 55.95 53.15 1x48 s SER 75 Cb 0.01 -1.05 0.15 0.00 0.10 0.00 0.00 66.02 65.23 1x48 s SER 75 CO 0.59 -0.21 1.09 -2.16 0.98 0.00 0.00 173.24 173.53 1x48 s PRO 76 N -0.06 1.00 0.26 4.02 0.04 -0.59 -4.55 135.00 135.12 1x48 s PRO 76 Ca 0.22 0.72 0.03 0.00 0.04 0.00 0.00 61.00 62.02 1x48 s PRO 76 Cb -0.15 -1.79 0.33 0.00 0.04 0.00 0.00 34.50 32.94 1x48 s PRO 76 CO -0.07 -2.40 1.64 -1.00 0.04 0.00 0.00 177.00 175.21 1x48 h PRO 77 N -1.66 0.34 -6.87 0.56 0.13 -1.99 -3.45 132.00 119.07 1x48 h PRO 77 Ca -0.51 -0.18 -0.45 0.00 -0.87 0.00 0.00 66.00 63.99 1x48 h PRO 77 Cb 1.30 0.01 0.05 0.00 0.13 0.00 0.00 31.00 32.48 1x48 h PRO 77 CO 0.55 0.73 -0.01 0.15 -0.23 0.00 0.00 178.00 179.19 1x48 s LYS 78 N -4.09 2.64 -0.52 0.86 1.02 -1.26 -5.03 119.74 113.35 1x48 s LYS 78 Ca -0.05 -0.63 0.03 0.00 0.02 0.00 0.00 55.97 55.33 1x48 s LYS 78 Cb 0.13 -2.46 0.43 0.00 -0.52 0.00 0.00 37.83 35.40 1x48 s LYS 78 CO 0.79 -0.67 1.52 2.41 -0.92 0.00 0.00 175.35 178.48 1x48 n THR 79 N -2.35 2.94 0.31 2.17 -1.04 -1.26 -4.80 114.28 110.25 1x48 n THR 79 Ca 0.06 -4.13 -0.17 0.00 -2.04 0.00 0.00 64.05 57.77 1x48 n THR 79 Cb 0.59 -1.20 -0.08 0.00 -1.82 0.00 0.00 70.33 67.82 1x48 n THR 79 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1x48 h ALA 80 N 2.40 -0.85 0.00 2.41 0.00 -1.96 -3.48 119.26 117.78 1x48 h ALA 80 Ca 0.44 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.19 1x48 h ALA 80 Cb 0.92 0.41 0.00 0.00 0.00 0.00 0.00 17.79 19.12 1x48 h ALA 80 CO 1.10 -0.99 0.00 0.41 0.00 0.00 0.00 179.25 179.77 1x48 n GLY 81 N -1.47 3.48 0.31 0.00 0.00 -1.26 -4.99 105.19 101.25 1x48 n GLY 81 Ca -0.12 -0.38 0.03 0.00 0.00 0.00 0.00 46.02 45.55 1x48 n GLY 81 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1x48 h THR 82 N 2.51 1.13 -6.50 2.61 1.35 -1.97 -3.46 112.91 108.59 1x48 h THR 82 Ca 0.00 -0.29 -0.51 0.00 -0.55 0.00 0.00 66.41 65.07 1x48 h THR 82 Cb 0.00 0.47 -0.10 0.00 -1.73 0.00 0.00 68.15 66.79 1x48 h THR 82 CO 0.00 0.14 -0.81 -1.54 -0.25 0.00 0.00 175.52 173.06 1x48 n SER 83 N -4.44 -3.47 0.00 5.36 3.41 -1.26 -4.86 113.62 108.35 1x48 n SER 83 Ca 0.04 -0.90 0.00 0.00 -0.26 0.00 0.00 58.87 57.75 1x48 n SER 83 Cb 0.07 -3.34 0.00 0.00 -0.26 0.00 0.00 64.21 60.69 1x48 n SER 83 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1x48 n GLY 84 N -1.60 2.04 0.00 5.00 0.00 -1.26 -4.96 105.19 104.41 1x48 n GLY 84 Ca -0.00 -0.93 0.07 0.00 0.00 0.00 0.00 46.02 45.15 1x48 n GLY 84 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1x48 n PRO 85 N -0.75 0.20 -0.25 1.61 -0.04 -1.26 -3.91 135.00 130.60 1x48 n PRO 85 Ca 0.00 0.15 0.10 0.00 -0.04 0.00 0.00 63.50 63.71 1x48 n PRO 85 Cb 0.00 -1.50 0.20 0.00 -0.04 0.00 0.00 33.50 32.16 1x48 n PRO 85 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1x48 n SER 86 N -1.29 -0.11 -4.08 3.54 7.64 -1.26 -2.16 113.62 115.89 1x48 n SER 86 Ca 0.07 1.24 -0.36 0.00 1.01 0.00 0.00 58.87 60.83 1x48 n SER 86 Cb 0.12 -0.44 -0.09 0.00 -1.01 0.00 0.00 64.21 62.79 1x48 n SER 86 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1x48 s SER 87 N -5.03 5.47 0.00 6.43 0.15 -1.25 -5.23 113.70 114.24 1x48 s SER 87 Ca -0.10 -3.25 0.26 0.00 0.70 0.00 0.00 55.95 53.57 1x48 s SER 87 Cb 0.21 -1.86 0.60 0.00 -1.71 0.00 0.00 66.02 63.26 1x48 s SER 87 CO 0.57 -0.28 1.49 0.61 1.20 0.00 0.00 173.24 176.83