#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x48 h SER 2 N 0.00 0.62 -2.73 1.61 4.64 -2.13 -3.45 113.55 112.10 1x48 h SER 2 Ca 0.00 -0.63 -0.58 0.00 -0.47 0.00 0.00 61.79 60.11 1x48 h SER 2 Cb 0.00 -0.18 0.17 0.00 -0.31 0.00 0.00 62.40 62.08 1x48 h SER 2 CO 0.00 1.15 -0.59 -1.20 -0.87 0.00 0.00 176.83 175.32 1x48 n SER 3 N -4.24 -1.73 0.00 4.97 7.64 -1.26 -4.99 113.62 114.00 1x48 n SER 3 Ca -0.08 0.70 0.00 0.00 1.01 0.00 0.00 58.87 60.51 1x48 n SER 3 Cb 0.59 -1.09 0.00 0.00 -1.01 0.00 0.00 64.21 62.69 1x48 n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x48 n GLY 4 N 1.97 1.69 2.35 0.23 0.00 -1.26 -5.03 105.19 105.14 1x48 n GLY 4 Ca 0.10 0.03 -0.28 0.00 0.00 0.00 0.00 46.02 45.88 1x48 n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1x48 n SER 5 N 0.00 6.89 -0.22 1.61 3.41 -1.26 -4.59 113.62 119.46 1x48 n SER 5 Ca 0.00 -3.38 -0.07 0.00 -0.26 0.00 0.00 58.87 55.15 1x48 n SER 5 Cb 0.00 -1.11 0.03 0.00 -0.26 0.00 0.00 64.21 62.88 1x48 n SER 5 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 1x48 h SER 6 N 2.35 0.84 0.00 4.04 4.64 -1.99 -3.48 113.55 119.96 1x48 h SER 6 Ca 0.43 -0.17 0.00 0.00 -0.47 0.00 0.00 61.79 61.58 1x48 h SER 6 Cb 0.68 -0.22 0.00 0.00 -0.31 0.00 0.00 62.40 62.55 1x48 h SER 6 CO 1.08 0.79 0.00 0.61 -0.87 0.00 0.00 176.83 178.43 1x48 n GLY 7 N -0.82 3.00 0.08 -0.77 0.00 -1.26 -5.04 105.19 100.38 1x48 n GLY 7 Ca 0.04 -0.55 -0.03 0.00 0.00 0.00 0.00 46.02 45.48 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 0.00 0.47 -0.26 1.61 4.02 -1.26 -4.16 117.16 117.58 1x48 n TYR 8 Ca 0.00 0.16 0.22 0.00 -0.01 0.00 0.00 57.90 58.27 1x48 n TYR 8 Cb 0.00 -0.97 0.41 0.00 -0.02 0.00 0.00 39.34 38.76 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 -2.75 -0.34 0.06 -0.72 2.08 -1.26 0.24 119.36 116.67 1x48 n ILE 9 Ca -0.18 1.68 0.08 0.00 0.56 0.00 0.00 62.75 64.90 1x48 n ILE 9 Cb 0.93 -2.64 -0.05 0.00 -0.75 0.00 0.00 39.64 37.13 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 -1.27 -1.32 0.23 7.39 0.00 -1.26 -3.96 105.19 105.01 1x48 n GLY 10 Ca 0.27 -0.26 -0.12 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.56 -1.33 0.99 3.38 0.28 -1.27 115.31 116.81 1x48 h LEU 11 Ca -0.05 0.07 -0.07 0.00 0.09 0.00 0.00 57.88 57.92 1x48 h LEU 11 Cb 1.15 0.22 -0.01 0.00 0.09 0.00 0.00 40.66 42.12 1x48 h LEU 11 CO 0.01 -0.27 -0.33 1.62 0.09 0.00 0.00 178.44 179.56 1x48 h VAL 12 N -0.34 1.16 -0.27 1.22 3.04 -1.63 0.19 116.25 119.62 1x48 h VAL 12 Ca 0.04 -1.17 -0.07 0.00 -1.01 0.00 0.00 66.70 64.50 1x48 h VAL 12 Cb 0.39 1.64 -0.02 0.00 -2.01 0.00 0.00 31.29 31.30 1x48 h VAL 12 CO -0.15 0.33 -0.12 0.78 -1.01 0.00 0.00 177.57 177.40 1x48 h ASN 13 N 0.00 0.43 0.04 3.17 2.35 -1.48 -2.44 115.58 117.64 1x48 h ASN 13 Ca -0.00 -0.10 -0.31 0.00 -0.55 0.00 0.00 56.30 55.33 1x48 h ASN 13 Cb 0.62 -0.11 -0.04 0.00 0.05 0.00 0.00 38.32 38.84 1x48 h ASN 13 CO 0.04 0.58 -1.72 -1.20 -1.65 0.00 0.00 177.43 173.49 1x48 n SER 14 N -4.22 1.96 -0.25 5.81 7.64 -0.56 -4.22 113.62 119.79 1x48 n SER 14 Ca 0.00 0.31 0.05 0.00 1.01 0.00 0.00 58.87 60.25 1x48 n SER 14 Cb 0.31 -0.89 0.17 0.00 -1.01 0.00 0.00 64.21 62.79 1x48 n SER 14 CO 0.00 0.00 0.00 0.15 -3.01 0.00 0.00 175.04 172.18 1x48 h PHE 15 N -0.62 0.15 -0.03 1.43 3.57 -0.67 -1.86 116.94 118.91 1x48 h PHE 15 Ca -0.43 0.05 0.02 0.00 3.53 0.00 0.00 57.97 61.14 1x48 h PHE 15 Cb 1.60 0.05 -0.05 0.00 2.79 0.00 0.00 35.95 40.33 1x48 h PHE 15 CO 0.06 -0.15 -0.50 0.00 -2.23 0.00 0.00 178.31 175.49 1x48 h ALA 16 N 1.64 -0.91 -0.34 2.41 0.00 -1.63 0.11 119.26 120.55 1x48 h ALA 16 Ca 0.41 -0.08 0.07 0.00 0.00 0.00 0.00 54.91 55.32 1x48 h ALA 16 Cb 0.71 0.94 -0.08 0.00 0.00 0.00 0.00 17.79 19.36 1x48 h ALA 16 CO -0.56 -1.07 -0.29 0.37 0.00 0.00 0.00 179.25 177.70 1x48 h GLN 17 N -0.61 -0.24 -0.96 0.00 -0.00 -1.53 0.24 115.11 112.01 1x48 h GLN 17 Ca 0.02 0.02 0.19 0.00 -0.00 0.00 0.00 58.65 58.87 1x48 h GLN 17 Cb 0.66 0.06 -0.08 0.00 0.00 0.00 0.00 27.48 28.11 1x48 h GLN 17 CO -0.35 -0.16 0.61 0.87 0.00 0.00 0.00 178.83 179.79 1x48 h LYS 18 N -0.25 0.61 -0.79 1.69 1.57 -0.90 0.52 116.57 119.01 1x48 h LYS 18 Ca 0.16 -0.04 -0.08 0.00 -1.87 0.00 0.00 60.65 58.82 1x48 h LYS 18 Cb 0.51 -0.14 -0.05 0.00 0.08 0.00 0.00 32.23 32.64 1x48 h LYS 18 CO -0.48 0.40 0.10 1.63 -0.57 0.00 0.00 179.45 180.53 1x48 n LYS 19 N -4.63 3.17 -3.56 3.15 5.02 0.18 -4.88 118.16 116.61 1x48 n LYS 19 Ca 0.21 -2.05 -0.24 0.00 -2.02 0.00 0.00 58.31 54.21 1x48 n LYS 19 Cb 0.61 -1.95 -0.03 0.00 -0.02 0.00 0.00 35.03 33.63 1x48 n LYS 19 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1x48 n LYS 20 N 0.18 -2.31 -2.61 1.97 4.76 0.18 -4.91 118.16 115.43 1x48 n LYS 20 Ca 0.23 0.22 -0.22 0.00 -2.87 0.00 0.00 58.31 55.67 1x48 n LYS 20 Cb 0.97 -4.82 0.06 0.00 -1.84 0.00 0.00 35.03 29.40 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 -6.35 3.14 -0.24 -0.35 1.43 0.60 -4.99 118.68 111.92 1x48 s LEU 21 Ca 0.45 -0.14 0.02 0.00 -1.03 0.00 0.00 54.13 53.43 1x48 s LEU 21 Cb -0.25 -2.52 0.05 0.00 0.03 0.00 0.00 46.19 43.50 1x48 s LEU 21 CO 0.55 -1.43 -0.11 -0.44 0.23 0.00 0.00 176.35 175.15 1x48 s SER 22 N -4.55 4.04 -0.21 2.29 0.01 -1.26 -4.45 113.70 109.57 1x48 s SER 22 Ca 0.61 -1.20 -0.05 0.00 1.31 0.00 0.00 55.95 56.62 1x48 s SER 22 Cb -0.08 -1.44 -0.02 0.00 0.21 0.00 0.00 66.02 64.68 1x48 s SER 22 CO 0.41 -0.17 -0.00 0.54 0.41 0.00 0.00 173.24 174.43 1x48 s VAL 23 N 1.21 3.84 0.26 3.43 0.11 -1.26 0.51 120.40 128.50 1x48 s VAL 23 Ca -0.06 -0.34 0.10 0.00 -2.93 0.00 0.00 61.98 58.75 1x48 s VAL 23 Cb -0.18 -2.75 -0.05 0.00 -1.53 0.00 0.00 36.38 31.87 1x48 s VAL 23 CO -0.07 0.42 -0.16 0.20 -3.33 0.00 0.00 175.10 172.15 1x48 s ASN 24 N 1.20 3.17 -0.22 3.54 -0.87 0.39 -4.99 114.94 117.15 1x48 s ASN 24 Ca 0.03 -1.05 -0.00 0.00 -1.57 0.00 0.00 52.86 50.27 1x48 s ASN 24 Cb -0.15 -0.23 0.06 0.00 -0.02 0.00 0.00 41.25 40.91 1x48 s ASN 24 CO 0.01 -0.08 -0.02 -0.31 -2.57 0.00 0.00 177.10 174.13 1x48 s TYR 25 N -2.72 1.93 0.00 2.20 1.51 -1.26 -0.94 117.35 118.07 1x48 s TYR 25 Ca 0.27 -1.47 -0.19 0.00 -1.01 0.00 0.00 57.07 54.67 1x48 s TYR 25 Cb -0.02 -1.41 -0.06 0.00 -0.11 0.00 0.00 41.96 40.36 1x48 s TYR 25 CO 0.12 -0.73 0.54 -2.00 -1.11 0.00 0.00 175.55 172.38 1x48 s GLU 26 N 1.55 4.23 -0.01 -0.62 2.56 0.78 -4.87 118.70 122.31 1x48 s GLU 26 Ca -0.03 0.65 0.06 0.00 0.00 0.00 0.00 54.97 55.64 1x48 s GLU 26 Cb -0.18 -3.31 -0.03 0.00 2.00 0.00 0.00 34.13 32.61 1x48 s GLU 26 CO -0.07 0.46 -0.19 -1.14 -0.56 0.00 0.00 175.26 173.75 1x48 s GLN 27 N -0.45 2.25 0.74 4.30 0.74 -1.26 -0.68 119.66 125.31 1x48 s GLN 27 Ca 0.29 -0.85 -0.04 0.00 0.05 0.00 0.00 55.36 54.81 1x48 s GLN 27 Cb -0.18 -2.22 0.13 0.00 1.10 0.00 0.00 33.01 31.84 1x48 s GLN 27 CO 0.16 0.58 1.03 0.00 -0.55 0.00 0.00 175.29 176.51 1x48 s GLU 29 N -5.24 3.50 0.75 0.00 2.02 -1.26 -4.93 118.70 113.53 1x48 s GLU 29 Ca 0.66 -0.41 -0.11 0.00 0.02 0.00 0.00 54.97 55.13 1x48 s GLU 29 Cb -0.06 -2.88 0.05 0.00 0.10 0.00 0.00 34.13 31.34 1x48 s GLU 29 CO 0.45 0.44 1.10 -1.25 0.02 0.00 0.00 175.26 176.01 1x48 s PRO 30 N -3.29 2.35 -0.00 0.39 0.04 -1.26 -5.05 135.00 128.18 1x48 s PRO 30 Ca 0.37 1.21 -0.00 0.00 0.04 0.00 0.00 61.00 62.62 1x48 s PRO 30 Cb -0.11 -1.91 -0.04 0.00 0.04 0.00 0.00 34.50 32.49 1x48 s PRO 30 CO 0.29 -1.57 0.08 -0.80 0.04 0.00 0.00 177.00 175.03 1x48 s ASN 31 N -3.23 5.66 0.54 6.66 0.01 -1.26 -4.99 114.94 118.32 1x48 s ASN 31 Ca 0.62 0.14 0.35 0.00 -0.71 0.00 0.00 52.86 53.26 1x48 s ASN 31 Cb -0.18 -1.62 1.53 0.00 0.41 0.00 0.00 41.25 41.40 1x48 s ASN 31 CO 0.53 0.27 2.03 0.28 -1.51 0.00 0.00 177.10 178.70 1x48 h SER 32 N 4.11 0.00 -3.68 -1.22 0.02 -1.97 -3.41 113.55 107.39 1x48 h SER 32 Ca -0.49 0.00 -0.63 0.00 -0.84 0.00 0.00 61.79 59.83 1x48 h SER 32 Cb 1.18 0.00 -0.15 0.00 0.14 0.00 0.00 62.40 63.58 1x48 h SER 32 CO 0.62 0.00 -0.18 -1.61 -1.14 0.00 0.00 176.83 174.52 1x48 s GLU 33 N -3.72 3.94 0.34 3.45 2.02 -1.26 -5.07 118.70 118.39 1x48 s GLU 33 Ca 0.00 0.02 -0.03 0.00 0.02 0.00 0.00 54.97 54.98 1x48 s GLU 33 Cb 0.10 -3.69 -0.04 0.00 0.10 0.00 0.00 34.13 30.60 1x48 s GLU 33 CO 0.49 -0.35 0.59 -0.51 0.02 0.00 0.00 175.26 175.50 1x48 s LEU 34 N 2.14 3.98 1.07 1.80 1.02 -1.26 -4.35 118.68 123.08 1x48 s LEU 34 Ca 0.16 0.65 -0.14 0.00 0.02 0.00 0.00 54.13 54.82 1x48 s LEU 34 Cb -0.16 -3.51 0.22 0.00 0.02 0.00 0.00 46.19 42.77 1x48 s LEU 34 CO 0.10 -0.29 1.10 -2.16 0.02 0.00 0.00 176.35 175.12 1x48 s PRO 35 N -4.02 -0.15 -0.12 1.29 0.04 -1.26 -5.16 135.00 125.62 1x48 s PRO 35 Ca 0.43 0.32 0.00 0.00 0.04 0.00 0.00 61.00 61.79 1x48 s PRO 35 Cb -0.10 -1.69 0.02 0.00 0.04 0.00 0.00 34.50 32.77 1x48 s PRO 35 CO 0.34 -3.08 -0.11 1.14 0.04 0.00 0.00 177.00 175.34 1x48 s GLN 36 N -5.10 1.83 0.28 4.56 -2.07 -1.26 -4.99 119.66 112.91 1x48 s GLN 36 Ca 0.67 -0.38 0.03 0.00 -1.82 0.00 0.00 55.36 53.86 1x48 s GLN 36 Cb -0.16 -1.75 -0.03 0.00 -1.09 0.00 0.00 33.01 29.98 1x48 s GLN 36 CO 0.57 -0.22 0.44 -0.98 -1.32 0.00 0.00 175.29 173.78 1x48 s ARG 37 N 1.50 3.45 0.13 9.60 1.04 -1.26 -5.02 118.95 128.39 1x48 s ARG 37 Ca 0.03 -0.59 -0.09 0.00 -1.04 0.00 0.00 55.73 54.03 1x48 s ARG 37 Cb -0.13 -2.80 -0.06 0.00 -2.04 0.00 0.00 34.95 29.92 1x48 s ARG 37 CO -0.08 0.31 0.43 -0.06 -0.04 0.00 0.00 175.30 175.87 1x48 s PHE 38 N -2.12 3.53 -0.05 5.89 0.08 0.13 -4.94 117.98 120.50 1x48 s PHE 38 Ca 0.36 0.76 -0.02 0.00 0.12 0.00 0.00 56.93 58.16 1x48 s PHE 38 Cb -0.09 -2.15 0.04 0.00 -0.57 0.00 0.00 43.02 40.24 1x48 s PHE 38 CO 0.32 0.45 0.11 0.42 -0.10 0.00 0.00 175.22 176.41 1x48 s ILE 39 N -1.54 -0.08 0.16 0.64 1.01 -1.26 -1.02 121.20 119.10 1x48 s ILE 39 Ca 0.38 0.23 0.08 0.00 0.00 0.00 0.00 60.65 61.34 1x48 s ILE 39 Cb -0.13 -0.19 -0.04 0.00 0.01 0.00 0.00 42.46 42.11 1x48 s ILE 39 CO 0.20 0.10 -0.17 0.00 0.00 0.00 0.00 174.94 175.07 1x48 s LYS 41 N -2.82 0.67 -0.27 0.00 1.02 0.15 0.20 119.74 118.69 1x48 s LYS 41 Ca 0.15 -0.19 -0.09 0.00 0.02 0.00 0.00 55.97 55.86 1x48 s LYS 41 Cb -0.05 -0.66 -0.03 0.00 -0.52 0.00 0.00 37.83 36.57 1x48 s LYS 41 CO 0.06 0.06 0.12 0.00 -0.92 0.00 0.00 175.35 174.67 1x48 s LYS 43 N 1.65 3.06 -0.48 0.00 1.02 -0.12 -2.67 119.74 122.20 1x48 s LYS 43 Ca 0.06 -0.86 -0.13 0.00 0.02 0.00 0.00 55.97 55.06 1x48 s LYS 43 Cb -0.16 -2.37 0.10 0.00 -0.52 0.00 0.00 37.83 34.88 1x48 s LYS 43 CO 0.06 0.11 0.39 0.42 -0.92 0.00 0.00 175.35 175.41 1x48 s ILE 44 N 0.53 4.87 -1.01 2.17 -1.09 0.54 -0.46 121.20 126.74 1x48 s ILE 44 Ca -0.14 -1.38 -0.01 0.00 -2.23 0.00 0.00 60.65 56.90 1x48 s ILE 44 Cb -0.17 -4.03 0.00 0.00 -1.58 0.00 0.00 42.46 36.68 1x48 s ILE 44 CO 0.05 -0.69 0.85 0.61 -1.23 0.00 0.00 174.94 174.53 1x48 n GLY 45 N 5.12 -0.23 2.34 6.18 0.00 0.18 -2.41 105.19 116.37 1x48 n GLY 45 Ca -0.12 0.01 -0.14 0.00 0.00 0.00 0.00 46.02 45.77 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 -3.67 -1.08 -4.67 1.61 1.13 -1.26 -4.99 117.38 104.45 1x48 n GLN 46 Ca -0.22 0.85 -0.29 0.00 -1.94 0.00 0.00 57.00 55.40 1x48 n GLN 46 Cb 0.63 -5.05 -0.17 0.00 0.11 0.00 0.00 30.24 25.76 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 -2.63 1.58 -0.16 5.09 2.01 -1.01 -5.10 115.64 115.42 1x48 s THR 47 Ca 0.00 -0.71 -0.29 0.00 0.31 0.00 0.00 61.69 60.99 1x48 s THR 47 Cb 0.00 -1.42 -0.03 0.00 0.01 0.00 0.00 72.50 71.06 1x48 s THR 47 CO 0.00 0.46 1.54 -0.32 -0.69 0.00 0.00 174.62 175.60 1x48 s MET 48 N 0.76 4.01 -0.03 4.92 1.75 -1.26 -0.34 119.30 129.10 1x48 s MET 48 Ca -0.11 1.80 -0.06 0.00 -1.25 0.00 0.00 55.69 56.07 1x48 s MET 48 Cb -0.16 -3.96 -0.03 0.00 2.84 0.00 0.00 34.83 33.53 1x48 s MET 48 CO 0.02 -1.03 -0.13 0.66 -0.65 0.00 0.00 175.02 173.89 1x48 n TYR 49 N 7.63 0.00 -4.11 4.11 4.02 -1.10 -4.94 117.16 122.77 1x48 n TYR 49 Ca 0.17 0.00 -0.10 0.00 -0.01 0.00 0.00 57.90 57.96 1x48 n TYR 49 Cb 0.44 -0.23 -0.09 0.00 -0.02 0.00 0.00 39.34 39.44 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 -4.56 0.88 -0.08 2.72 0.00 -1.09 -4.55 107.32 100.65 1x48 s GLY 50 Ca -0.11 -1.34 -0.03 0.00 0.00 0.00 0.00 44.72 43.23 1x48 s GLY 50 CO 0.16 -1.24 0.16 -1.59 0.00 0.00 0.00 173.10 170.58 1x48 s THR 51 N -4.03 -0.22 0.13 0.90 2.01 -1.26 -0.71 115.64 112.46 1x48 s THR 51 Ca 0.23 0.32 0.03 0.00 0.31 0.00 0.00 61.69 62.58 1x48 s THR 51 Cb 0.07 -0.28 -0.04 0.00 0.01 0.00 0.00 72.50 72.25 1x48 s THR 51 CO 0.02 0.13 0.22 -0.83 -0.69 0.00 0.00 174.62 173.47 1x48 s GLY 52 N 2.06 1.81 -0.18 4.40 0.00 0.13 -4.58 107.32 110.96 1x48 s GLY 52 Ca 0.01 -1.05 -0.10 0.00 0.00 0.00 0.00 44.72 43.58 1x48 s GLY 52 CO -0.06 -1.04 0.43 -1.35 0.00 0.00 0.00 173.10 171.08 1x48 s SER 53 N -3.01 -0.54 0.00 1.64 1.04 -1.26 -0.56 113.70 111.01 1x48 s SER 53 Ca 0.33 0.93 0.00 0.00 0.48 0.00 0.00 55.95 57.70 1x48 s SER 53 Cb -0.11 0.82 0.00 0.00 0.10 0.00 0.00 66.02 66.83 1x48 s SER 53 CO 0.27 -0.19 0.00 0.61 0.98 0.00 0.00 173.24 174.90 1x48 n GLY 54 N 4.18 1.83 0.04 7.32 0.00 -0.19 -4.68 105.19 113.69 1x48 n GLY 54 Ca -0.23 -0.90 0.12 0.00 0.00 0.00 0.00 46.02 45.01 1x48 n GLY 54 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1x48 n VAL 55 N 0.00 0.21 -4.28 1.61 0.24 -1.26 0.22 118.33 115.07 1x48 n VAL 55 Ca 0.00 -0.17 -0.17 0.00 -2.04 0.00 0.00 64.34 61.96 1x48 n VAL 55 Cb 0.00 0.01 -0.14 0.00 -1.47 0.00 0.00 33.84 32.23 1x48 n VAL 55 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 1x48 s THR 56 N -3.11 0.62 0.16 3.34 2.01 -1.26 -4.39 115.64 113.01 1x48 s THR 56 Ca 0.08 -0.41 -0.26 0.00 0.31 0.00 0.00 61.69 61.40 1x48 s THR 56 Cb 0.15 -0.54 0.01 0.00 0.01 0.00 0.00 72.50 72.13 1x48 s THR 56 CO 0.71 0.12 1.58 0.11 -0.69 0.00 0.00 174.62 176.45 1x48 h LYS 57 N 5.80 -0.30 -0.69 4.92 1.79 -1.92 0.01 116.57 126.18 1x48 h LYS 57 Ca -0.30 0.02 0.13 0.00 -2.18 0.00 0.00 60.65 58.32 1x48 h LYS 57 Cb 1.18 0.07 -0.09 0.00 -1.58 0.00 0.00 32.23 31.81 1x48 h LYS 57 CO 0.49 -0.20 0.21 0.37 -1.08 0.00 0.00 179.45 179.24 1x48 h GLN 58 N -0.31 0.34 -0.15 3.15 5.75 -1.97 0.46 115.11 122.37 1x48 h GLN 58 Ca 0.15 -0.02 0.03 0.00 -0.15 0.00 0.00 58.65 58.66 1x48 h GLN 58 Cb 0.58 -0.08 -0.03 0.00 1.07 0.00 0.00 27.48 29.02 1x48 h GLN 58 CO -0.57 0.22 -0.04 1.49 -2.65 0.00 0.00 178.83 177.29 1x48 h GLU 59 N 0.35 0.00 0.06 1.69 4.57 -1.48 -1.38 114.58 118.39 1x48 h GLU 59 Ca 0.37 -0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.55 1x48 h GLU 59 Cb 0.56 -0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.15 1x48 h GLU 59 CO -0.41 0.00 -0.03 0.00 -1.18 0.00 0.00 179.01 177.39 1x48 h ALA 60 N 1.15 -0.51 -0.75 2.92 0.00 -0.10 -2.77 119.26 119.20 1x48 h ALA 60 Ca 0.07 -0.02 0.23 0.00 0.00 0.00 0.00 54.91 55.19 1x48 h ALA 60 Cb 0.11 0.03 -0.14 0.00 0.00 0.00 0.00 17.79 17.79 1x48 h ALA 60 CO -0.16 -0.50 0.09 1.17 0.00 0.00 0.00 179.25 179.85 1x48 n LYS 61 N -2.39 -0.06 0.00 0.00 4.81 0.15 -1.18 118.16 119.50 1x48 n LYS 61 Ca -0.01 1.11 0.00 0.00 -0.87 0.00 0.00 58.31 58.54 1x48 n LYS 61 Cb 0.03 -1.81 0.00 0.00 0.02 0.00 0.00 35.03 33.28 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 -4.98 0.00 -0.30 1.64 6.02 -0.52 -3.25 117.38 115.99 1x48 n GLN 62 Ca 0.20 0.36 0.09 0.00 -0.01 0.00 0.00 57.00 57.63 1x48 n GLN 62 Cb 0.66 -1.33 0.18 0.00 1.02 0.00 0.00 30.24 30.77 1x48 n GLN 62 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1x48 n LEU 63 N -1.57 -0.21 -0.29 1.08 4.77 -0.37 0.76 117.00 121.16 1x48 n LEU 63 Ca 0.00 1.46 0.17 0.00 -0.03 0.00 0.00 56.01 57.61 1x48 n LEU 63 Cb 0.00 -0.48 0.32 0.00 -2.33 0.00 0.00 43.42 40.93 1x48 n LEU 63 CO 0.00 -1.44 0.75 0.00 -1.33 0.00 0.00 177.39 175.37 1x48 n ALA 64 N -3.48 0.56 -0.05 -1.18 0.00 -0.32 0.11 120.51 116.15 1x48 n ALA 64 Ca 0.17 0.92 -0.11 0.00 0.00 0.00 0.00 53.44 54.41 1x48 n ALA 64 Cb 0.53 -0.73 -0.05 0.00 0.00 0.00 0.00 19.45 19.20 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 1.73 0.23 -0.72 0.00 0.00 0.28 -2.89 119.26 117.88 1x48 h ALA 65 Ca 0.58 -0.18 0.09 0.00 0.00 0.00 0.00 54.91 55.41 1x48 h ALA 65 Cb 1.32 -0.06 -0.10 0.00 0.00 0.00 0.00 17.79 18.94 1x48 h ALA 65 CO -0.77 -0.09 -0.34 1.17 0.00 0.00 0.00 179.25 179.22 1x48 n LYS 66 N -4.76 -0.23 -0.14 0.00 4.81 0.31 0.11 118.16 118.27 1x48 n LYS 66 Ca -0.05 1.11 -0.11 0.00 -0.87 0.00 0.00 58.31 58.39 1x48 n LYS 66 Cb 0.20 -1.63 -0.01 0.00 0.02 0.00 0.00 35.03 33.60 1x48 n LYS 66 CO 0.00 0.00 0.00 0.93 1.17 0.00 0.00 177.40 179.50 1x48 h GLU 67 N 0.00 0.76 0.26 1.64 4.39 -1.55 -3.11 114.58 116.97 1x48 h GLU 67 Ca 0.20 -0.26 0.00 0.00 0.34 0.00 0.00 59.36 59.64 1x48 h GLU 67 Cb 0.38 -0.06 -0.03 0.00 -0.10 0.00 0.00 28.75 28.94 1x48 h GLU 67 CO -0.70 0.86 -0.47 0.00 -1.16 0.00 0.00 179.01 177.53 1x48 h ALA 68 N 0.87 -1.03 -0.76 3.43 0.00 0.10 -2.18 119.26 119.69 1x48 h ALA 68 Ca 0.11 -0.13 0.14 0.00 0.00 0.00 0.00 54.91 55.03 1x48 h ALA 68 Cb 0.55 0.79 -0.14 0.00 0.00 0.00 0.00 17.79 18.99 1x48 h ALA 68 CO 0.03 -1.11 -0.27 -0.92 0.00 0.00 0.00 179.25 176.98 1x48 h TYR 69 N -0.79 -0.67 -0.47 0.00 3.20 -0.62 0.92 116.97 118.55 1x48 h TYR 69 Ca -0.03 0.08 0.10 0.00 3.14 0.00 0.00 58.73 62.01 1x48 h TYR 69 Cb 0.74 0.41 -0.09 0.00 1.54 0.00 0.00 36.73 39.32 1x48 h TYR 69 CO -0.36 -0.36 -0.16 1.96 -1.64 0.00 0.00 178.16 177.60 1x48 h GLN 70 N -0.05 -0.05 -0.30 1.82 1.08 -1.39 -1.72 115.11 114.51 1x48 h GLN 70 Ca 0.33 0.00 0.07 0.00 -1.45 0.00 0.00 58.65 57.61 1x48 h GLN 70 Cb 0.58 0.01 -0.08 0.00 -0.05 0.00 0.00 27.48 27.94 1x48 h GLN 70 CO -0.80 -0.03 -0.26 0.87 -0.95 0.00 0.00 178.83 177.66 1x48 h LYS 71 N -0.05 -0.23 -0.80 1.46 1.57 -0.21 -0.51 116.57 117.80 1x48 h LYS 71 Ca 0.23 0.02 0.19 0.00 -1.87 0.00 0.00 60.65 59.21 1x48 h LYS 71 Cb 0.40 0.05 -0.13 0.00 0.08 0.00 0.00 32.23 32.63 1x48 h LYS 71 CO -0.51 -0.15 0.17 -0.07 -0.57 0.00 0.00 179.45 178.31 1x48 h LEU 72 N -0.24 -0.07 -0.73 2.94 3.38 -0.83 1.30 115.31 121.06 1x48 h LEU 72 Ca 0.15 0.18 -0.09 0.00 0.09 0.00 0.00 57.88 58.21 1x48 h LEU 72 Cb 0.48 0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.46 1x48 h LEU 72 CO -0.44 -0.11 0.00 -0.07 0.09 0.00 0.00 178.44 177.91 1x48 h LEU 73 N 0.21 0.94 0.00 1.67 3.38 -0.84 -2.99 115.31 117.69 1x48 h LEU 73 Ca 0.47 -0.25 0.00 0.00 0.09 0.00 0.00 57.88 58.18 1x48 h LEU 73 Cb 0.87 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.36 1x48 h LEU 73 CO -0.60 1.00 0.00 0.29 0.09 0.00 0.00 178.44 179.22 1x48 n LYS 74 N -4.19 0.00 -3.91 1.13 4.76 0.80 -4.78 118.16 111.97 1x48 n LYS 74 Ca 0.03 0.26 -0.29 0.00 -2.87 0.00 0.00 58.31 55.44 1x48 n LYS 74 Cb 0.33 -0.74 -0.13 0.00 -1.84 0.00 0.00 35.03 32.65 1x48 n LYS 74 CO 0.00 0.00 0.00 -1.12 -1.37 0.00 0.00 177.40 174.91 1x48 s SER 75 N -2.17 4.43 1.01 4.39 0.01 0.41 -5.06 113.70 116.73 1x48 s SER 75 Ca 0.00 -3.32 -0.12 0.00 1.31 0.00 0.00 55.95 53.81 1x48 s SER 75 Cb 0.00 -1.59 0.20 0.00 0.21 0.00 0.00 66.02 64.84 1x48 s SER 75 CO 0.00 -0.17 1.09 -2.16 0.41 0.00 0.00 173.24 172.41 1x48 s PRO 76 N -0.71 0.33 0.50 12.44 0.04 -1.13 -4.39 135.00 142.09 1x48 s PRO 76 Ca 0.20 0.49 0.29 0.00 0.04 0.00 0.00 61.00 62.02 1x48 s PRO 76 Cb -0.17 -1.73 1.22 0.00 0.04 0.00 0.00 34.50 33.86 1x48 s PRO 76 CO -0.07 -2.79 1.94 -1.00 0.04 0.00 0.00 177.00 175.12 1x48 h PRO 77 N -1.94 0.00 -6.17 0.56 0.13 -1.93 -3.40 132.00 119.26 1x48 h PRO 77 Ca -0.55 0.00 -0.56 0.00 -0.87 0.00 0.00 66.00 64.02 1x48 h PRO 77 Cb 1.33 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 32.37 1x48 h PRO 77 CO 0.58 0.11 1.01 0.15 -0.23 0.00 0.00 178.00 179.62 1x48 s LYS 78 N -3.74 3.22 0.17 0.86 1.02 -1.26 -4.98 119.74 115.03 1x48 s LYS 78 Ca 0.00 -0.44 -0.32 0.00 0.02 0.00 0.00 55.97 55.23 1x48 s LYS 78 Cb 0.10 -4.31 -0.16 0.00 -0.52 0.00 0.00 37.83 32.94 1x48 s LYS 78 CO 0.58 -2.10 0.98 -2.37 -0.92 0.00 0.00 175.35 171.53 1x48 n THR 79 N 6.34 1.19 -3.64 2.17 5.66 -1.26 -4.97 114.28 119.77 1x48 n THR 79 Ca 0.05 -0.30 -0.06 0.00 -3.05 0.00 0.00 64.05 60.69 1x48 n THR 79 Cb 0.49 -0.56 -0.07 0.00 -1.55 0.00 0.00 70.33 68.64 1x48 n THR 79 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1x48 s ALA 80 N -0.48 -2.09 0.01 1.79 0.00 -1.26 -5.16 121.76 114.58 1x48 s ALA 80 Ca 0.71 1.77 0.00 0.00 0.00 0.00 0.00 51.96 54.44 1x48 s ALA 80 Cb -0.90 -1.52 0.00 0.00 0.00 0.00 0.00 23.12 20.70 1x48 s ALA 80 CO 0.55 -0.19 0.00 0.41 0.00 0.00 0.00 175.76 176.53 1x48 n GLY 81 N 1.67 -0.39 3.47 0.00 0.00 -1.26 -4.62 105.19 104.07 1x48 n GLY 81 Ca -0.10 -0.38 -0.45 0.00 0.00 0.00 0.00 46.02 45.09 1x48 n GLY 81 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1x48 n THR 82 N -0.88 1.89 -3.18 2.61 5.66 -1.26 -4.91 114.28 114.20 1x48 n THR 82 Ca 0.00 -0.50 -0.39 0.00 -3.05 0.00 0.00 64.05 60.11 1x48 n THR 82 Cb 0.03 -0.45 -0.05 0.00 -1.55 0.00 0.00 70.33 68.30 1x48 n THR 82 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 1x48 s SER 83 N -0.83 6.96 0.03 1.09 1.04 -1.26 -5.07 113.70 115.65 1x48 s SER 83 Ca 0.62 1.15 0.03 0.00 0.48 0.00 0.00 55.95 58.22 1x48 s SER 83 Cb -0.77 -2.37 -0.04 0.00 0.10 0.00 0.00 66.02 62.94 1x48 s SER 83 CO 0.58 0.06 -0.01 -0.83 0.98 0.00 0.00 173.24 174.02 1x48 s GLY 84 N 0.04 1.87 0.36 7.32 0.00 -1.26 -5.10 107.32 110.55 1x48 s GLY 84 Ca 0.32 -1.01 -0.27 0.00 0.00 0.00 0.00 44.72 43.76 1x48 s GLY 84 CO 0.17 -0.91 1.20 2.56 0.00 0.00 0.00 173.10 176.12 1x48 s PRO 85 N -1.77 4.22 -0.09 2.90 0.04 -1.26 -5.03 135.00 134.01 1x48 s PRO 85 Ca 0.21 1.96 -0.08 0.00 0.04 0.00 0.00 61.00 63.12 1x48 s PRO 85 Cb -0.11 -2.87 -0.04 0.00 0.04 0.00 0.00 34.50 31.51 1x48 s PRO 85 CO 0.12 -0.21 0.20 -1.12 0.04 0.00 0.00 177.00 176.03 1x48 s SER 86 N -0.89 6.47 -0.06 6.66 0.01 -1.26 -5.07 113.70 119.56 1x48 s SER 86 Ca 0.53 0.56 -0.01 0.00 1.31 0.00 0.00 55.95 58.34 1x48 s SER 86 Cb -0.34 -2.10 0.03 0.00 0.21 0.00 0.00 66.02 63.82 1x48 s SER 86 CO 0.44 0.38 0.02 -0.44 0.41 0.00 0.00 173.24 174.04 1x48 s SER 87 N -1.09 1.43 0.00 2.44 0.01 -1.26 -5.24 113.70 109.98 1x48 s SER 87 Ca 0.17 -0.04 0.00 0.00 1.31 0.00 0.00 55.95 57.39 1x48 s SER 87 Cb -0.13 -0.36 0.00 0.00 0.21 0.00 0.00 66.02 65.74 1x48 s SER 87 CO 0.07 -0.20 0.00 0.61 0.41 0.00 0.00 173.24 174.12