#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 6.29 0.15 1.61 0.15 -1.26 -4.89 113.70 115.75 1x48 s SER 2 Ca 0.00 -1.74 -0.17 0.00 0.70 0.00 0.00 55.95 54.73 1x48 s SER 2 Cb 0.00 -2.57 0.04 0.00 -1.71 0.00 0.00 66.02 61.77 1x48 s SER 2 CO 0.00 -1.72 0.46 -0.44 1.20 0.00 0.00 173.24 172.74 1x48 s SER 3 N 5.26 -0.28 0.24 5.45 0.01 -1.26 -5.18 113.70 117.93 1x48 s SER 3 Ca 0.54 -0.34 0.07 0.00 1.31 0.00 0.00 55.95 57.54 1x48 s SER 3 Cb 0.01 0.52 -0.04 0.00 0.21 0.00 0.00 66.02 66.72 1x48 s SER 3 CO 0.00 -0.93 0.13 -0.83 0.41 0.00 0.00 173.24 172.02 1x48 s GLY 4 N -2.82 1.53 0.17 3.44 0.00 -1.26 -5.14 107.32 103.24 1x48 s GLY 4 Ca 0.05 -1.44 0.01 0.00 0.00 0.00 0.00 44.72 43.34 1x48 s GLY 4 CO -0.09 -1.48 0.02 -0.56 0.00 0.00 0.00 173.10 170.99 1x48 s SER 5 N -3.64 1.05 -0.39 1.64 0.01 -1.26 -5.13 113.70 105.98 1x48 s SER 5 Ca 0.32 -1.19 -0.05 0.00 1.31 0.00 0.00 55.95 56.34 1x48 s SER 5 Cb -0.08 0.15 0.09 0.00 0.21 0.00 0.00 66.02 66.39 1x48 s SER 5 CO 0.23 -0.61 0.18 -0.55 0.41 0.00 0.00 173.24 172.91 1x48 s SER 6 N -3.16 5.32 0.00 2.44 0.15 -1.26 -4.93 113.70 112.26 1x48 s SER 6 Ca 0.25 -1.70 0.00 0.00 0.70 0.00 0.00 55.95 55.20 1x48 s SER 6 Cb 0.06 -1.86 0.00 0.00 -1.71 0.00 0.00 66.02 62.51 1x48 s SER 6 CO 0.04 -0.49 0.00 0.61 1.20 0.00 0.00 173.24 174.60 1x48 n GLY 7 N 4.71 -3.13 0.09 9.45 0.00 -1.26 -4.99 105.19 110.07 1x48 n GLY 7 Ca -0.07 -0.82 -0.09 0.00 0.00 0.00 0.00 46.02 45.04 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 0.30 0.21 -0.21 1.61 4.02 -1.26 -4.17 117.16 117.67 1x48 n TYR 8 Ca 0.00 0.08 0.21 0.00 -0.01 0.00 0.00 57.90 58.17 1x48 n TYR 8 Cb 0.00 -1.02 0.38 0.00 -0.02 0.00 0.00 39.34 38.68 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 -2.79 -0.28 -0.04 -0.72 2.08 -1.26 0.20 119.36 116.55 1x48 n ILE 9 Ca -0.29 1.33 -0.10 0.00 0.56 0.00 0.00 62.75 64.25 1x48 n ILE 9 Cb 1.12 -2.16 -0.14 0.00 -0.75 0.00 0.00 39.64 37.70 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 -1.17 -0.94 0.36 7.39 0.00 -1.26 -4.39 105.19 105.18 1x48 n GLY 10 Ca 0.25 -0.14 -0.01 0.00 0.00 0.00 0.00 46.02 46.11 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 -3.01 -0.62 0.22 0.99 4.77 0.54 -0.87 117.00 119.03 1x48 n LEU 11 Ca -0.24 1.65 -0.17 0.00 -0.03 0.00 0.00 56.01 57.22 1x48 n LEU 11 Cb 1.08 -0.37 -0.10 0.00 -2.33 0.00 0.00 43.42 41.70 1x48 n LEU 11 CO 0.44 -1.48 0.52 0.58 -1.33 0.00 0.00 177.39 176.12 1x48 h VAL 12 N 0.00 0.00 -0.75 4.08 2.07 -1.73 0.31 116.25 120.23 1x48 h VAL 12 Ca 0.32 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.97 1x48 h VAL 12 Cb 0.56 0.00 -0.13 0.00 -1.52 0.00 0.00 31.29 30.20 1x48 h VAL 12 CO -0.94 0.00 -0.27 0.59 0.02 0.00 0.00 177.57 176.97 1x48 n ASN 13 N -5.41 -0.44 -0.06 0.57 3.02 -0.05 0.12 115.26 113.01 1x48 n ASN 13 Ca -0.10 1.30 -0.16 0.00 -0.03 0.00 0.00 54.58 55.59 1x48 n ASN 13 Cb 0.43 -0.32 -0.06 0.00 -0.61 0.00 0.00 39.78 39.23 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 0.92 -0.35 6.41 0.02 -1.08 -3.27 113.55 116.20 1x48 h SER 14 Ca 0.28 -0.57 0.04 0.00 -0.84 0.00 0.00 61.79 60.70 1x48 h SER 14 Cb 0.47 -0.27 -0.07 0.00 0.14 0.00 0.00 62.40 62.67 1x48 h SER 14 CO -0.75 1.33 -0.48 0.15 -1.14 0.00 0.00 176.83 175.93 1x48 h PHE 15 N 0.56 -1.47 -0.23 3.45 3.04 0.48 -0.75 116.94 122.01 1x48 h PHE 15 Ca -0.01 0.07 0.03 0.00 3.98 0.00 0.00 57.97 62.04 1x48 h PHE 15 Cb 1.21 0.69 -0.06 0.00 2.56 0.00 0.00 35.95 40.35 1x48 h PHE 15 CO 0.08 -0.42 -0.42 0.00 -2.02 0.00 0.00 178.31 175.52 1x48 h ALA 16 N -0.22 -0.72 -0.85 2.41 0.00 -1.32 -1.18 119.26 117.38 1x48 h ALA 16 Ca 0.06 -0.02 0.17 0.00 0.00 0.00 0.00 54.91 55.12 1x48 h ALA 16 Cb 0.51 0.99 -0.16 0.00 0.00 0.00 0.00 17.79 19.13 1x48 h ALA 16 CO -0.51 -0.90 -0.24 0.37 0.00 0.00 0.00 179.25 177.97 1x48 h GLN 17 N -0.36 -0.01 -0.85 0.00 4.15 -1.49 0.61 115.11 117.16 1x48 h GLN 17 Ca 0.04 0.00 0.11 0.00 0.77 0.00 0.00 58.65 59.57 1x48 h GLN 17 Cb 0.48 0.00 -0.08 0.00 0.21 0.00 0.00 27.48 28.10 1x48 h GLN 17 CO -0.41 -0.01 0.48 0.87 -1.93 0.00 0.00 178.83 177.84 1x48 h LYS 18 N -0.01 0.76 -0.78 1.69 1.57 -0.02 0.11 116.57 119.89 1x48 h LYS 18 Ca 0.40 -0.05 -0.08 0.00 -1.87 0.00 0.00 60.65 59.05 1x48 h LYS 18 Cb 0.62 -0.17 -0.05 0.00 0.08 0.00 0.00 32.23 32.71 1x48 h LYS 18 CO -0.88 0.51 0.10 1.63 -0.57 0.00 0.00 179.45 180.24 1x48 n LYS 19 N -4.75 3.24 -2.67 3.15 4.01 0.19 -4.88 118.16 116.44 1x48 n LYS 19 Ca 0.15 -2.11 -0.07 0.00 -0.51 0.00 0.00 58.31 55.77 1x48 n LYS 19 Cb 0.31 -1.97 -0.01 0.00 -0.51 0.00 0.00 35.03 32.85 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 0.19 -2.70 -2.61 1.97 4.01 0.40 -4.89 118.16 114.52 1x48 n LYS 20 Ca 0.24 0.17 -0.23 0.00 -0.51 0.00 0.00 58.31 57.98 1x48 n LYS 20 Cb 0.98 -4.71 0.09 0.00 -0.51 0.00 0.00 35.03 30.88 1x48 n LYS 20 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 1x48 s LEU 21 N -5.37 3.03 -0.02 -0.35 1.43 -0.13 -4.97 118.68 112.30 1x48 s LEU 21 Ca 0.08 -0.31 0.07 0.00 -1.03 0.00 0.00 54.13 52.94 1x48 s LEU 21 Cb -0.04 -2.15 -0.02 0.00 0.03 0.00 0.00 46.19 44.01 1x48 s LEU 21 CO 0.10 -1.70 -0.22 -0.55 0.23 0.00 0.00 176.35 174.21 1x48 s SER 22 N -4.67 3.42 -0.05 2.29 0.15 -1.26 -4.33 113.70 109.24 1x48 s SER 22 Ca 0.64 -0.38 0.05 0.00 0.70 0.00 0.00 55.95 56.96 1x48 s SER 22 Cb -0.06 -0.52 -0.01 0.00 -1.71 0.00 0.00 66.02 63.72 1x48 s SER 22 CO 0.43 0.32 -0.21 0.54 1.20 0.00 0.00 173.24 175.52 1x48 s VAL 23 N -0.68 1.74 -0.02 4.45 0.11 -1.26 -1.11 120.40 123.63 1x48 s VAL 23 Ca 0.11 -0.89 0.04 0.00 -2.93 0.00 0.00 61.98 58.31 1x48 s VAL 23 Cb -0.10 -1.48 -0.01 0.00 -1.53 0.00 0.00 36.38 33.26 1x48 s VAL 23 CO -0.00 0.49 -0.14 0.20 -3.33 0.00 0.00 175.10 172.32 1x48 s ASN 24 N -0.04 1.64 -0.47 3.54 0.01 0.34 -4.96 114.94 114.99 1x48 s ASN 24 Ca -0.04 -0.25 -0.03 0.00 -0.71 0.00 0.00 52.86 51.82 1x48 s ASN 24 Cb -0.13 -0.25 0.12 0.00 0.41 0.00 0.00 41.25 41.40 1x48 s ASN 24 CO 0.03 0.15 0.28 -0.31 -1.51 0.00 0.00 177.10 175.74 1x48 s TYR 25 N -0.21 3.53 0.13 2.20 2.02 -1.26 -0.54 117.35 123.23 1x48 s TYR 25 Ca 0.03 -2.49 -0.24 0.00 -0.37 0.00 0.00 57.07 54.00 1x48 s TYR 25 Cb -0.07 -3.23 -0.07 0.00 -0.40 0.00 0.00 41.96 38.19 1x48 s TYR 25 CO -0.00 -0.94 0.73 -1.21 -1.57 0.00 0.00 175.55 172.56 1x48 s GLU 26 N 0.80 4.48 0.21 -0.62 8.01 0.05 -4.87 118.70 126.75 1x48 s GLU 26 Ca 0.11 1.05 0.10 0.00 0.01 0.00 0.00 54.97 56.23 1x48 s GLU 26 Cb -0.22 -3.27 -0.04 0.00 -4.31 0.00 0.00 34.13 26.29 1x48 s GLU 26 CO -0.04 0.56 -0.12 1.14 0.01 0.00 0.00 175.26 176.81 1x48 s GLN 27 N -1.04 1.94 0.69 1.61 -2.07 -1.26 -0.23 119.66 119.30 1x48 s GLN 27 Ca 0.34 -1.40 -0.15 0.00 -1.82 0.00 0.00 55.36 52.34 1x48 s GLN 27 Cb -0.22 -2.05 0.02 0.00 -1.09 0.00 0.00 33.01 29.66 1x48 s GLN 27 CO 0.24 0.41 1.16 0.00 -1.32 0.00 0.00 175.29 175.78 1x48 s GLU 29 N -3.96 4.20 -0.55 0.00 4.04 -1.26 -4.96 118.70 116.20 1x48 s GLU 29 Ca 0.71 1.48 -0.27 0.00 0.04 0.00 0.00 54.97 56.93 1x48 s GLU 29 Cb -0.25 -2.55 -0.02 0.00 0.02 0.00 0.00 34.13 31.33 1x48 s GLU 29 CO 0.43 -0.11 1.83 -1.25 -1.84 0.00 0.00 175.26 174.32 1x48 s PRO 30 N -2.49 2.80 -0.00 -4.83 0.04 -1.26 -4.98 135.00 124.28 1x48 s PRO 30 Ca 0.57 0.76 0.01 0.00 0.04 0.00 0.00 61.00 62.39 1x48 s PRO 30 Cb -0.21 -4.34 -0.04 0.00 0.04 0.00 0.00 34.50 29.96 1x48 s PRO 30 CO 0.27 -2.52 0.00 0.54 0.04 0.00 0.00 177.00 175.32 1x48 s ASN 31 N 7.53 5.11 -0.27 6.66 2.20 -1.26 -5.01 114.94 129.91 1x48 s ASN 31 Ca 0.69 -0.01 0.02 0.00 -0.94 0.00 0.00 52.86 52.62 1x48 s ASN 31 Cb -0.14 -1.33 0.39 0.00 -2.00 0.00 0.00 41.25 38.17 1x48 s ASN 31 CO 0.23 0.28 1.57 -1.20 -2.94 0.00 0.00 177.10 175.04 1x48 n SER 32 N 1.39 3.58 -4.23 3.54 7.64 -1.26 -4.80 113.62 119.48 1x48 n SER 32 Ca -0.14 -2.97 -0.40 0.00 1.01 0.00 0.00 58.87 56.37 1x48 n SER 32 Cb 0.53 -0.72 -0.09 0.00 -1.01 0.00 0.00 64.21 62.92 1x48 n SER 32 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 1x48 s GLU 33 N -1.97 2.51 0.61 1.43 2.02 -1.26 -5.08 118.70 116.96 1x48 s GLU 33 Ca 0.34 -1.61 -0.16 0.00 0.02 0.00 0.00 54.97 53.57 1x48 s GLU 33 Cb 0.29 -3.82 -0.03 0.00 0.10 0.00 0.00 34.13 30.66 1x48 s GLU 33 CO 0.06 -1.06 1.08 -0.51 0.02 0.00 0.00 175.26 174.85 1x48 s LEU 34 N 1.38 3.47 1.19 1.80 1.43 -1.26 -4.46 118.68 122.23 1x48 s LEU 34 Ca 0.04 1.88 -0.19 0.00 -1.03 0.00 0.00 54.13 54.84 1x48 s LEU 34 Cb -0.24 -4.54 0.28 0.00 0.03 0.00 0.00 46.19 41.72 1x48 s LEU 34 CO 0.00 -1.31 1.11 -2.16 0.23 0.00 0.00 176.35 174.22 1x48 s PRO 35 N -4.05 -1.12 -0.16 1.29 0.04 -1.26 -5.14 135.00 124.60 1x48 s PRO 35 Ca 0.65 -0.03 -0.02 0.00 0.04 0.00 0.00 61.00 61.64 1x48 s PRO 35 Cb -0.18 -1.60 -0.02 0.00 0.04 0.00 0.00 34.50 32.74 1x48 s PRO 35 CO 0.38 -3.65 -0.08 1.14 0.04 0.00 0.00 177.00 174.82 1x48 s GLN 36 N -5.37 3.47 0.12 4.56 1.03 -1.26 -5.09 119.66 117.12 1x48 s GLN 36 Ca 0.71 -0.62 0.03 0.00 0.04 0.00 0.00 55.36 55.52 1x48 s GLN 36 Cb -0.10 -2.80 -0.04 0.00 0.03 0.00 0.00 33.01 30.09 1x48 s GLN 36 CO 0.56 0.13 -0.09 0.50 -2.54 0.00 0.00 175.29 173.86 1x48 s ARG 37 N 0.61 0.93 -0.16 9.60 3.52 -1.26 -5.03 118.95 127.15 1x48 s ARG 37 Ca -0.05 -1.36 -0.04 0.00 -0.13 0.00 0.00 55.73 54.15 1x48 s ARG 37 Cb -0.15 -0.43 -0.03 0.00 -1.56 0.00 0.00 34.95 32.78 1x48 s ARG 37 CO 0.03 0.04 -0.02 -0.06 -0.81 0.00 0.00 175.30 174.47 1x48 s PHE 38 N -3.33 3.06 -0.04 5.12 0.40 -1.06 -5.03 117.98 117.10 1x48 s PHE 38 Ca 0.13 -0.25 0.01 0.00 -0.60 0.00 0.00 56.93 56.22 1x48 s PHE 38 Cb 0.03 -1.98 0.02 0.00 0.51 0.00 0.00 43.02 41.60 1x48 s PHE 38 CO -0.02 -0.02 -0.03 0.42 0.70 0.00 0.00 175.22 176.28 1x48 s ILE 39 N 0.40 0.41 0.16 0.64 -1.09 -1.26 -1.22 121.20 119.24 1x48 s ILE 39 Ca -0.03 -0.05 0.08 0.00 -2.23 0.00 0.00 60.65 58.43 1x48 s ILE 39 Cb -0.14 -0.47 -0.04 0.00 -1.58 0.00 0.00 42.46 40.23 1x48 s ILE 39 CO 0.02 0.20 -0.18 0.00 -1.23 0.00 0.00 174.94 173.75 1x48 s LYS 41 N -2.75 0.38 -0.37 0.00 1.02 0.68 0.08 119.74 118.78 1x48 s LYS 41 Ca 0.15 0.07 -0.17 0.00 0.02 0.00 0.00 55.97 56.05 1x48 s LYS 41 Cb -0.06 -0.58 0.00 0.00 -0.52 0.00 0.00 37.83 36.67 1x48 s LYS 41 CO 0.06 -0.16 0.43 0.00 -0.92 0.00 0.00 175.35 174.77 1x48 s LYS 43 N 2.17 3.25 -0.44 0.00 1.02 0.30 -2.74 119.74 123.30 1x48 s LYS 43 Ca 0.14 -0.66 -0.16 0.00 0.02 0.00 0.00 55.97 55.31 1x48 s LYS 43 Cb -0.16 -2.62 0.04 0.00 -0.52 0.00 0.00 37.83 34.57 1x48 s LYS 43 CO 0.13 0.30 0.36 0.42 -0.92 0.00 0.00 175.35 175.65 1x48 s ILE 44 N 0.13 5.22 -1.19 2.17 -1.09 0.82 -0.50 121.20 126.74 1x48 s ILE 44 Ca -0.06 -0.77 -0.04 0.00 -2.23 0.00 0.00 60.65 57.55 1x48 s ILE 44 Cb -0.15 -4.03 0.00 0.00 -1.58 0.00 0.00 42.46 36.71 1x48 s ILE 44 CO 0.04 -0.44 1.02 0.61 -1.23 0.00 0.00 174.94 174.94 1x48 n GLY 45 N 5.17 -0.38 2.23 6.18 0.00 -0.27 -2.12 105.19 116.01 1x48 n GLY 45 Ca -0.11 0.13 -0.10 0.00 0.00 0.00 0.00 46.02 45.94 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 -4.30 -0.78 -4.95 1.61 7.27 -1.26 -5.01 117.38 109.95 1x48 n GLN 46 Ca -0.14 0.63 -0.28 0.00 0.07 0.00 0.00 57.00 57.29 1x48 n GLN 46 Cb 0.61 -4.65 -0.16 0.00 2.41 0.00 0.00 30.24 28.45 1x48 n GLN 46 CO 0.00 0.00 0.00 0.99 0.07 0.00 0.00 177.06 178.12 1x48 s THR 47 N -2.46 1.60 -0.24 1.69 2.01 -0.90 -5.10 115.64 112.24 1x48 s THR 47 Ca 0.00 -0.81 -0.29 0.00 0.31 0.00 0.00 61.69 60.90 1x48 s THR 47 Cb 0.00 -1.37 -0.00 0.00 0.01 0.00 0.00 72.50 71.14 1x48 s THR 47 CO 0.00 0.45 1.26 -0.32 -0.69 0.00 0.00 174.62 175.32 1x48 s MET 48 N 0.02 4.08 0.03 4.92 1.75 -1.26 -0.13 119.30 128.72 1x48 s MET 48 Ca -0.05 1.43 -0.04 0.00 -1.25 0.00 0.00 55.69 55.79 1x48 s MET 48 Cb -0.12 -3.81 -0.01 0.00 2.84 0.00 0.00 34.83 33.73 1x48 s MET 48 CO 0.03 -0.90 -0.07 0.66 -0.65 0.00 0.00 175.02 174.09 1x48 n TYR 49 N 7.06 0.00 -4.01 4.11 4.02 -1.18 -4.94 117.16 122.22 1x48 n TYR 49 Ca 0.14 0.00 -0.11 0.00 -0.01 0.00 0.00 57.90 57.92 1x48 n TYR 49 Cb 0.46 -0.10 -0.11 0.00 -0.02 0.00 0.00 39.34 39.56 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 -4.03 0.31 -0.06 2.72 0.00 -1.11 -4.40 107.32 100.75 1x48 s GLY 50 Ca -0.06 -0.60 0.04 0.00 0.00 0.00 0.00 44.72 44.09 1x48 s GLY 50 CO 0.09 -0.66 -0.17 -1.59 0.00 0.00 0.00 173.10 170.76 1x48 s THR 51 N -1.32 1.47 -0.08 0.90 2.01 -1.26 -0.36 115.64 117.01 1x48 s THR 51 Ca -0.13 -0.70 0.02 0.00 0.31 0.00 0.00 61.69 61.19 1x48 s THR 51 Cb -0.09 -1.29 -0.02 0.00 0.01 0.00 0.00 72.50 71.11 1x48 s THR 51 CO -0.00 0.43 -0.15 -0.83 -0.69 0.00 0.00 174.62 173.37 1x48 s GLY 52 N 0.33 1.50 -0.05 4.40 0.00 0.11 -4.44 107.32 109.16 1x48 s GLY 52 Ca -0.11 -0.95 0.04 0.00 0.00 0.00 0.00 44.72 43.70 1x48 s GLY 52 CO 0.04 -0.51 -0.18 -1.35 0.00 0.00 0.00 173.10 171.11 1x48 s SER 53 N -0.20 2.24 -0.14 1.64 1.04 -1.26 -0.05 113.70 116.97 1x48 s SER 53 Ca -0.00 -0.37 -0.30 0.00 0.48 0.00 0.00 55.95 55.76 1x48 s SER 53 Cb -0.13 -0.69 0.11 0.00 0.10 0.00 0.00 66.02 65.40 1x48 s SER 53 CO 0.03 0.15 0.92 -0.83 0.98 0.00 0.00 173.24 174.48 1x48 s GLY 54 N 0.11 -0.34 0.41 7.32 0.00 -0.36 -4.60 107.32 109.86 1x48 s GLY 54 Ca -0.06 1.89 0.25 0.00 0.00 0.00 0.00 44.72 46.80 1x48 s GLY 54 CO 0.03 1.07 1.64 -0.39 0.00 0.00 0.00 173.10 175.44 1x48 h VAL 55 N 2.74 0.17 -3.76 1.40 -1.51 -1.96 -2.80 116.25 110.54 1x48 h VAL 55 Ca -0.21 -0.05 -0.68 0.00 -1.23 0.00 0.00 66.70 64.53 1x48 h VAL 55 Cb 1.16 0.02 -0.19 0.00 -2.13 0.00 0.00 31.29 30.14 1x48 h VAL 55 CO 0.32 0.03 -0.78 -0.89 -1.23 0.00 0.00 177.57 175.01 1x48 s THR 56 N -5.41 3.03 0.12 7.19 2.01 -1.26 -3.30 115.64 118.02 1x48 s THR 56 Ca -0.08 -1.27 -0.33 0.00 0.31 0.00 0.00 61.69 60.32 1x48 s THR 56 Cb 0.30 -2.35 -0.12 0.00 0.01 0.00 0.00 72.50 70.33 1x48 s THR 56 CO 0.81 0.21 1.54 0.50 -0.69 0.00 0.00 174.62 176.99 1x48 h LYS 57 N 4.05 -0.52 -0.08 4.92 3.64 -1.86 -2.21 116.57 124.51 1x48 h LYS 57 Ca -0.49 0.04 0.01 0.00 -1.27 0.00 0.00 60.65 58.94 1x48 h LYS 57 Cb 1.16 0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 33.09 1x48 h LYS 57 CO 0.49 -0.35 -0.07 0.37 -2.27 0.00 0.00 179.45 177.61 1x48 h GLN 58 N -0.54 -0.03 -0.86 1.90 5.75 -1.96 0.32 115.11 119.68 1x48 h GLN 58 Ca 0.04 0.00 0.29 0.00 -0.15 0.00 0.00 58.65 58.83 1x48 h GLN 58 Cb 0.65 0.01 -0.16 0.00 1.07 0.00 0.00 27.48 29.05 1x48 h GLN 58 CO -0.45 -0.02 0.22 -1.91 -2.65 0.00 0.00 178.83 174.02 1x48 n GLU 59 N -3.13 -0.06 0.02 1.69 2.13 -1.10 -0.99 120.64 119.20 1x48 n GLU 59 Ca -0.00 1.24 -0.01 0.00 0.66 0.00 0.00 57.16 59.04 1x48 n GLU 59 Cb 0.04 -2.08 -0.01 0.00 0.27 0.00 0.00 31.44 29.67 1x48 n GLU 59 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1x48 h ALA 60 N 1.71 -0.50 -0.75 4.31 0.00 -0.24 -3.13 119.26 120.66 1x48 h ALA 60 Ca 0.62 -0.02 0.31 0.00 0.00 0.00 0.00 54.91 55.82 1x48 h ALA 60 Cb 1.47 0.03 -0.14 0.00 0.00 0.00 0.00 17.79 19.15 1x48 h ALA 60 CO -0.74 -0.49 0.39 1.17 0.00 0.00 0.00 179.25 179.59 1x48 n LYS 61 N -2.34 -0.05 0.00 0.00 4.81 0.88 -0.72 118.16 120.75 1x48 n LYS 61 Ca -0.01 1.04 0.00 0.00 -0.87 0.00 0.00 58.31 58.47 1x48 n LYS 61 Cb 0.03 -1.87 0.00 0.00 0.02 0.00 0.00 35.03 33.21 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 -4.71 0.00 -0.31 1.64 6.02 -0.16 -2.91 117.38 116.94 1x48 n GLN 62 Ca 0.28 0.51 0.17 0.00 -0.01 0.00 0.00 57.00 57.96 1x48 n GLN 62 Cb 0.96 -1.47 0.35 0.00 1.02 0.00 0.00 30.24 31.09 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 0.04 -0.90 1.08 3.38 -0.86 0.18 115.31 118.22 1x48 h LEU 63 Ca 0.00 0.22 0.35 0.00 0.09 0.00 0.00 57.88 58.54 1x48 h LEU 63 Cb 0.00 0.28 -0.14 0.00 0.09 0.00 0.00 40.66 40.90 1x48 h LEU 63 CO 0.00 -0.22 0.52 0.00 0.09 0.00 0.00 178.44 178.83 1x48 n ALA 64 N -2.66 0.91 -0.03 1.53 0.00 -0.65 0.20 120.51 119.81 1x48 n ALA 64 Ca 0.25 0.80 -0.16 0.00 0.00 0.00 0.00 53.44 54.33 1x48 n ALA 64 Cb 0.81 -0.84 -0.08 0.00 0.00 0.00 0.00 19.45 19.33 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 1.54 0.20 -1.04 0.00 0.00 -0.71 -2.37 119.26 116.88 1x48 h ALA 65 Ca 0.70 -0.49 0.27 0.00 0.00 0.00 0.00 54.91 55.39 1x48 h ALA 65 Cb 1.96 -0.01 -0.12 0.00 0.00 0.00 0.00 17.79 19.62 1x48 h ALA 65 CO -0.56 0.36 0.64 0.87 0.00 0.00 0.00 179.25 180.56 1x48 h LYS 66 N 0.10 0.44 0.19 0.00 1.57 0.23 0.23 116.57 119.33 1x48 h LYS 66 Ca -0.03 -0.03 -0.27 0.00 -1.87 0.00 0.00 60.65 58.45 1x48 h LYS 66 Cb 1.11 -0.10 0.03 0.00 0.08 0.00 0.00 32.23 33.35 1x48 h LYS 66 CO 0.10 0.29 -1.24 1.49 -0.57 0.00 0.00 179.45 179.52 1x48 h GLU 67 N 0.45 0.41 -0.32 3.15 4.81 -1.46 -3.31 114.58 118.32 1x48 h GLU 67 Ca 0.65 -0.70 0.04 0.00 -0.13 0.00 0.00 59.36 59.21 1x48 h GLU 67 Cb 1.47 0.26 -0.04 0.00 0.63 0.00 0.00 28.75 31.07 1x48 h GLU 67 CO -0.41 1.34 0.09 0.00 -0.73 0.00 0.00 179.01 179.30 1x48 h ALA 68 N 0.10 0.35 -0.54 2.92 0.00 -0.46 -2.47 119.26 119.17 1x48 h ALA 68 Ca -0.22 0.05 0.11 0.00 0.00 0.00 0.00 54.91 54.84 1x48 h ALA 68 Cb 1.92 0.04 -0.10 0.00 0.00 0.00 0.00 17.79 19.65 1x48 h ALA 68 CO 0.20 -0.31 -0.06 -0.92 0.00 0.00 0.00 179.25 178.17 1x48 h TYR 69 N 0.22 -0.14 0.03 0.00 3.20 -0.78 -1.71 116.97 117.80 1x48 h TYR 69 Ca 0.15 0.04 0.02 0.00 3.14 0.00 0.00 58.73 62.08 1x48 h TYR 69 Cb 0.13 0.15 -0.03 0.00 1.54 0.00 0.00 36.73 38.51 1x48 h TYR 69 CO -0.15 -0.18 -0.19 1.96 -1.64 0.00 0.00 178.16 177.96 1x48 h GLN 70 N 0.06 -0.31 -0.72 1.82 1.08 -1.54 -1.69 115.11 113.82 1x48 h GLN 70 Ca 0.27 0.02 0.16 0.00 -1.45 0.00 0.00 58.65 57.65 1x48 h GLN 70 Cb 0.42 0.07 -0.12 0.00 -0.05 0.00 0.00 27.48 27.80 1x48 h GLN 70 CO -0.50 -0.21 0.05 0.87 -0.95 0.00 0.00 178.83 178.09 1x48 h LYS 71 N -0.32 0.14 0.24 1.46 6.56 -0.92 -1.14 116.57 122.59 1x48 h LYS 71 Ca 0.05 -0.01 -0.01 0.00 -1.06 0.00 0.00 60.65 59.62 1x48 h LYS 71 Cb 0.38 -0.03 0.00 0.00 -0.57 0.00 0.00 32.23 32.01 1x48 h LYS 71 CO -0.15 0.10 -0.13 -0.07 -2.06 0.00 0.00 179.45 177.14 1x48 h LEU 72 N 0.15 -0.30 -1.02 2.94 3.38 -0.86 0.18 115.31 119.77 1x48 h LEU 72 Ca 0.39 0.01 0.35 0.00 0.09 0.00 0.00 57.88 58.72 1x48 h LEU 72 Cb 0.68 0.08 -0.15 0.00 0.09 0.00 0.00 40.66 41.36 1x48 h LEU 72 CO -0.59 -0.21 0.58 -0.07 0.09 0.00 0.00 178.44 178.24 1x48 h LEU 73 N -0.34 0.46 0.00 1.67 3.38 -0.31 -1.18 115.31 119.00 1x48 h LEU 73 Ca -0.03 0.20 0.00 0.00 0.09 0.00 0.00 57.88 58.14 1x48 h LEU 73 Cb 0.27 0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.18 1x48 h LEU 73 CO 0.04 -0.20 -0.07 0.11 0.09 0.00 0.00 178.44 178.41 1x48 h LYS 74 N 0.25 0.00 -3.47 1.13 1.79 -1.02 -3.42 116.57 111.82 1x48 h LYS 74 Ca 0.76 0.00 -0.71 0.00 -2.18 0.00 0.00 60.65 58.53 1x48 h LYS 74 Cb 1.83 0.00 -0.35 0.00 -1.58 0.00 0.00 32.23 32.14 1x48 h LYS 74 CO -0.63 0.00 -0.23 -1.12 -1.08 0.00 0.00 179.45 176.40 1x48 s SER 75 N -5.30 5.63 0.97 0.86 0.01 0.58 -5.08 113.70 111.37 1x48 s SER 75 Ca -0.02 -3.21 -0.12 0.00 1.31 0.00 0.00 55.95 53.90 1x48 s SER 75 Cb 0.00 -1.90 0.17 0.00 0.21 0.00 0.00 66.02 64.51 1x48 s SER 75 CO 0.03 -0.30 1.09 -2.16 0.41 0.00 0.00 173.24 172.31 1x48 s PRO 76 N -0.60 0.62 0.49 12.44 0.04 -0.50 -4.36 135.00 143.14 1x48 s PRO 76 Ca 0.21 0.59 -0.08 0.00 0.04 0.00 0.00 61.00 61.76 1x48 s PRO 76 Cb -0.14 -1.75 0.12 0.00 0.04 0.00 0.00 34.50 32.77 1x48 s PRO 76 CO -0.07 -2.62 0.44 -0.35 0.04 0.00 0.00 177.00 174.43 1x48 n PRO 77 N -4.11 -1.88 -3.78 0.56 -0.04 -1.26 -5.06 135.00 119.43 1x48 n PRO 77 Ca 0.06 -0.70 -0.29 0.00 -0.04 0.00 0.00 63.50 62.53 1x48 n PRO 77 Cb 0.57 -0.65 -0.16 0.00 -0.04 0.00 0.00 33.50 33.21 1x48 n PRO 77 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 1x48 s LYS 78 N -3.99 0.89 -0.03 0.54 -0.14 -1.26 -4.95 119.74 110.80 1x48 s LYS 78 Ca 0.28 -0.75 0.07 0.00 -1.36 0.00 0.00 55.97 54.22 1x48 s LYS 78 Cb -0.03 -2.19 -0.10 0.00 -1.68 0.00 0.00 37.83 33.82 1x48 s LYS 78 CO 0.22 -0.73 0.11 -2.37 -0.76 0.00 0.00 175.35 171.82 1x48 n THR 79 N 4.90 0.17 -4.18 2.17 5.66 -1.26 -5.02 114.28 116.72 1x48 n THR 79 Ca -0.08 -0.21 -0.33 0.00 -3.05 0.00 0.00 64.05 60.38 1x48 n THR 79 Cb 0.45 -0.08 -0.04 0.00 -1.55 0.00 0.00 70.33 69.11 1x48 n THR 79 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1x48 n ALA 80 N -1.94 -1.54 -2.72 1.79 0.00 -1.26 -4.86 120.51 109.98 1x48 n ALA 80 Ca -0.05 -0.14 -0.07 0.00 0.00 0.00 0.00 53.44 53.18 1x48 n ALA 80 Cb 0.38 -2.59 0.07 0.00 0.00 0.00 0.00 19.45 17.32 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 -1.66 -0.31 3.32 0.00 0.00 -1.26 -5.15 105.19 100.13 1x48 n GLY 81 Ca -0.07 0.34 -0.14 0.00 0.00 0.00 0.00 46.02 46.15 1x48 n GLY 81 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1x48 s THR 82 N 0.44 0.04 -0.06 2.61 -4.23 -1.26 -5.13 115.64 108.05 1x48 s THR 82 Ca 0.28 -0.35 -0.30 0.00 -1.18 0.00 0.00 61.69 60.14 1x48 s THR 82 Cb 0.24 -0.75 -0.05 0.00 1.34 0.00 0.00 72.50 73.28 1x48 s THR 82 CO -0.17 -0.19 1.59 -0.94 -0.54 0.00 0.00 174.62 174.37 1x48 s SER 83 N -1.37 6.71 -0.34 3.99 1.04 -1.26 -4.86 113.70 117.61 1x48 s SER 83 Ca -0.12 2.17 -0.35 0.00 0.48 0.00 0.00 55.95 58.13 1x48 s SER 83 Cb -0.03 -2.54 -0.15 0.00 0.10 0.00 0.00 66.02 63.40 1x48 s SER 83 CO 0.05 -0.89 1.16 0.61 0.98 0.00 0.00 173.24 175.15 1x48 n GLY 84 N 4.04 0.11 1.93 7.32 0.00 -1.26 -4.90 105.19 112.43 1x48 n GLY 84 Ca 0.17 0.74 -0.17 0.00 0.00 0.00 0.00 46.02 46.76 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 2.83 -2.20 -3.48 1.61 -0.04 -1.26 -5.08 135.00 127.38 1x48 n PRO 85 Ca 0.23 -0.97 -0.15 0.00 -0.04 0.00 0.00 63.50 62.57 1x48 n PRO 85 Cb -0.04 -0.90 -0.11 0.00 -0.04 0.00 0.00 33.50 32.41 1x48 n PRO 85 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1x48 s SER 86 N -3.13 0.85 -0.42 3.54 0.15 -1.26 -5.03 113.70 108.39 1x48 s SER 86 Ca 0.39 0.06 -0.02 0.00 0.70 0.00 0.00 55.95 57.09 1x48 s SER 86 Cb -0.04 0.67 0.23 0.00 -1.71 0.00 0.00 66.02 65.17 1x48 s SER 86 CO 0.30 -0.30 2.16 -0.24 1.20 0.00 0.00 173.24 176.36 1x48 n SER 87 N 5.34 6.73 0.00 5.45 2.88 -1.26 -4.97 113.62 127.79 1x48 n SER 87 Ca -0.05 -3.24 0.16 0.00 -1.33 0.00 0.00 58.87 54.40 1x48 n SER 87 Cb 0.50 -1.08 0.93 0.00 -0.75 0.00 0.00 64.21 63.81 1x48 n SER 87 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42