#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 7.18 0.17 1.61 0.01 -1.26 -4.94 113.70 116.46 1x48 s SER 2 Ca 0.00 2.19 -0.16 0.00 1.31 0.00 0.00 55.95 59.29 1x48 s SER 2 Cb 0.00 -2.61 0.12 0.00 0.21 0.00 0.00 66.02 63.74 1x48 s SER 2 CO 0.00 -0.28 1.70 0.28 0.41 0.00 0.00 173.24 175.34 1x48 h SER 3 N 4.96 -0.16 -0.34 2.44 0.02 -2.12 -3.44 113.55 114.92 1x48 h SER 3 Ca -0.45 0.09 -0.68 0.00 -0.84 0.00 0.00 61.79 59.92 1x48 h SER 3 Cb 1.21 0.16 -0.13 0.00 0.14 0.00 0.00 62.40 63.79 1x48 h SER 3 CO 0.72 -0.04 -0.51 -0.83 -1.14 0.00 0.00 176.83 175.03 1x48 s GLY 4 N -2.95 3.03 0.03 -3.77 0.00 -1.26 -5.15 107.32 97.25 1x48 s GLY 4 Ca -0.13 -0.35 0.07 0.00 0.00 0.00 0.00 44.72 44.31 1x48 s GLY 4 CO 0.71 -2.20 -0.20 -0.45 0.00 0.00 0.00 173.10 170.96 1x48 s SER 5 N -3.89 3.62 0.04 1.64 0.15 -1.26 -5.13 113.70 108.87 1x48 s SER 5 Ca 0.06 -0.46 -0.27 0.00 0.70 0.00 0.00 55.95 55.98 1x48 s SER 5 Cb 0.01 -0.53 0.09 0.00 -1.71 0.00 0.00 66.02 63.88 1x48 s SER 5 CO 0.03 0.26 0.76 -0.55 1.20 0.00 0.00 173.24 174.94 1x48 s SER 6 N -1.31 -0.48 -0.16 5.45 0.15 -1.26 -5.12 113.70 110.96 1x48 s SER 6 Ca 0.13 0.12 -0.29 0.00 0.70 0.00 0.00 55.95 56.62 1x48 s SER 6 Cb -0.10 0.48 -0.04 0.00 -1.71 0.00 0.00 66.02 64.65 1x48 s SER 6 CO 0.04 -0.73 1.64 -0.83 1.20 0.00 0.00 173.24 174.55 1x48 s GLY 7 N -2.31 1.31 0.00 9.45 0.00 -1.26 -4.87 107.32 109.64 1x48 s GLY 7 Ca 0.01 0.63 0.09 0.00 0.00 0.00 0.00 44.72 45.45 1x48 s GLY 7 CO -0.07 3.03 0.83 -0.97 0.00 0.00 0.00 173.10 175.91 1x48 h TYR 8 N 10.40 0.07 -0.79 1.90 -1.99 -1.98 -3.34 116.97 121.24 1x48 h TYR 8 Ca -0.35 -0.05 0.31 0.00 2.00 0.00 0.00 58.73 60.64 1x48 h TYR 8 Cb 1.16 -0.00 -0.12 0.00 2.00 0.00 0.00 36.73 39.77 1x48 h TYR 8 CO 0.90 1.07 0.45 -0.89 -0.00 0.00 0.00 178.16 179.69 1x48 n ILE 9 N -3.18 -0.27 -0.03 -2.88 2.08 -1.26 0.23 119.36 114.04 1x48 n ILE 9 Ca -0.13 1.41 -0.06 0.00 0.56 0.00 0.00 62.75 64.53 1x48 n ILE 9 Cb 1.02 -2.30 -0.13 0.00 -0.75 0.00 0.00 39.64 37.48 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 -1.23 -1.05 0.43 7.39 0.00 -1.26 -4.42 105.19 105.05 1x48 n GLY 10 Ca 0.28 -0.16 -0.11 0.00 0.00 0.00 0.00 46.02 46.02 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 -1.85 -0.19 0.99 3.38 0.27 -2.06 115.31 115.86 1x48 h LEU 11 Ca -0.31 0.27 0.03 0.00 0.09 0.00 0.00 57.88 57.95 1x48 h LEU 11 Cb 1.93 0.80 -0.05 0.00 0.09 0.00 0.00 40.66 43.42 1x48 h LEU 11 CO 0.05 -0.34 -0.39 0.58 0.09 0.00 0.00 178.44 178.44 1x48 h VAL 12 N -0.24 0.00 -1.06 1.22 2.07 -1.73 0.42 116.25 116.92 1x48 h VAL 12 Ca 0.13 0.00 0.36 0.00 0.82 0.00 0.00 66.70 68.02 1x48 h VAL 12 Cb 0.54 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 30.21 1x48 h VAL 12 CO -0.73 0.00 0.69 0.59 0.02 0.00 0.00 177.57 178.14 1x48 n ASN 13 N -4.59 0.15 0.01 0.57 3.02 -0.80 0.23 115.26 113.85 1x48 n ASN 13 Ca -0.03 1.02 -0.18 0.00 -0.03 0.00 0.00 54.58 55.36 1x48 n ASN 13 Cb 0.26 -0.50 -0.14 0.00 -0.61 0.00 0.00 39.78 38.78 1x48 n ASN 13 CO 0.00 0.00 0.00 -1.28 -2.62 0.00 0.00 177.26 173.36 1x48 h SER 14 N 0.00 0.34 0.26 6.41 0.87 -0.60 -3.34 113.55 117.48 1x48 h SER 14 Ca 0.66 -0.73 0.00 0.00 -1.23 0.00 0.00 61.79 60.50 1x48 h SER 14 Cb 2.18 -0.11 -0.02 0.00 -0.44 0.00 0.00 62.40 64.01 1x48 h SER 14 CO -0.33 1.65 -0.26 0.15 -0.53 0.00 0.00 176.83 177.51 1x48 h PHE 15 N 0.06 -0.68 -0.07 2.24 3.04 0.72 0.19 116.94 122.44 1x48 h PHE 15 Ca -0.38 0.00 0.03 0.00 3.98 0.00 0.00 57.97 61.60 1x48 h PHE 15 Cb 2.03 0.26 -0.06 0.00 2.56 0.00 0.00 35.95 40.75 1x48 h PHE 15 CO 0.06 -0.37 -0.50 0.00 -2.02 0.00 0.00 178.31 175.48 1x48 h ALA 16 N 0.10 -0.82 -0.17 2.41 0.00 -1.18 0.60 119.26 120.21 1x48 h ALA 16 Ca -0.01 -0.06 0.04 0.00 0.00 0.00 0.00 54.91 54.88 1x48 h ALA 16 Cb 0.50 0.91 -0.04 0.00 0.00 0.00 0.00 17.79 19.17 1x48 h ALA 16 CO -0.06 -1.05 -0.06 0.37 0.00 0.00 0.00 179.25 178.45 1x48 h GLN 17 N -0.60 -0.03 -0.94 0.00 5.75 -1.65 0.28 115.11 117.92 1x48 h GLN 17 Ca 0.04 0.00 0.19 0.00 -0.15 0.00 0.00 58.65 58.73 1x48 h GLN 17 Cb 0.69 0.01 -0.08 0.00 1.07 0.00 0.00 27.48 29.16 1x48 h GLN 17 CO -0.39 -0.02 0.61 0.87 -2.65 0.00 0.00 178.83 177.25 1x48 h LYS 18 N -0.03 0.53 -0.78 1.69 1.57 -0.08 0.56 116.57 120.04 1x48 h LYS 18 Ca 0.09 -0.03 -0.08 0.00 -1.87 0.00 0.00 60.65 58.75 1x48 h LYS 18 Cb 0.16 -0.12 -0.05 0.00 0.08 0.00 0.00 32.23 32.30 1x48 h LYS 18 CO -0.19 0.35 0.10 1.63 -0.57 0.00 0.00 179.45 180.78 1x48 n LYS 19 N -4.59 3.28 -2.85 3.15 5.02 0.16 -4.88 118.16 117.45 1x48 n LYS 19 Ca 0.20 -2.15 -0.12 0.00 -2.02 0.00 0.00 58.31 54.22 1x48 n LYS 19 Cb 0.64 -1.98 -0.01 0.00 -0.02 0.00 0.00 35.03 33.66 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 0.19 -2.65 -3.18 1.97 4.76 0.20 -4.91 118.16 114.53 1x48 n LYS 20 Ca 0.24 0.28 -0.20 0.00 -2.87 0.00 0.00 58.31 55.76 1x48 n LYS 20 Cb 1.00 -4.85 0.03 0.00 -1.84 0.00 0.00 35.03 29.37 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 -5.68 3.19 -0.09 -0.35 1.43 0.90 -4.99 118.68 113.10 1x48 s LEU 21 Ca 0.16 -0.80 0.02 0.00 -1.03 0.00 0.00 54.13 52.48 1x48 s LEU 21 Cb -0.09 -1.83 -0.02 0.00 0.03 0.00 0.00 46.19 44.28 1x48 s LEU 21 CO 0.19 -1.13 -0.15 -0.55 0.23 0.00 0.00 176.35 174.94 1x48 s SER 22 N -4.50 3.90 -0.08 2.29 0.15 -1.26 -4.20 113.70 109.99 1x48 s SER 22 Ca 0.56 -0.29 0.03 0.00 0.70 0.00 0.00 55.95 56.94 1x48 s SER 22 Cb -0.06 -1.18 -0.02 0.00 -1.71 0.00 0.00 66.02 63.05 1x48 s SER 22 CO 0.34 0.25 -0.15 0.54 1.20 0.00 0.00 173.24 175.43 1x48 s VAL 23 N -0.19 2.94 0.06 4.45 0.11 -1.26 -1.67 120.40 124.84 1x48 s VAL 23 Ca -0.00 -0.74 0.02 0.00 -2.93 0.00 0.00 61.98 58.33 1x48 s VAL 23 Cb -0.13 -2.17 -0.03 0.00 -1.53 0.00 0.00 36.38 32.51 1x48 s VAL 23 CO 0.03 0.57 -0.08 0.20 -3.33 0.00 0.00 175.10 172.49 1x48 s ASN 24 N -0.30 1.02 -0.23 3.54 -0.87 0.92 -4.98 114.94 114.04 1x48 s ASN 24 Ca 0.02 -0.72 -0.02 0.00 -1.57 0.00 0.00 52.86 50.58 1x48 s ASN 24 Cb -0.13 0.05 0.07 0.00 -0.02 0.00 0.00 41.25 41.22 1x48 s ASN 24 CO 0.03 -0.28 0.04 -0.31 -2.57 0.00 0.00 177.10 174.00 1x48 s TYR 25 N -2.16 1.41 0.28 2.20 1.51 -1.26 -0.16 117.35 119.18 1x48 s TYR 25 Ca -0.02 -1.24 0.01 0.00 -1.01 0.00 0.00 57.07 54.82 1x48 s TYR 25 Cb -0.05 -1.30 -0.04 0.00 -0.11 0.00 0.00 41.96 40.47 1x48 s TYR 25 CO -0.01 -0.71 0.46 -1.83 -1.11 0.00 0.00 175.55 172.34 1x48 s GLU 26 N 1.73 3.49 0.11 -0.62 -1.05 -0.24 -4.84 118.70 117.27 1x48 s GLU 26 Ca 0.01 -0.43 0.09 0.00 -0.15 0.00 0.00 54.97 54.49 1x48 s GLU 26 Cb -0.17 -2.77 -0.04 0.00 -0.44 0.00 0.00 34.13 30.71 1x48 s GLU 26 CO -0.13 0.29 -0.22 -1.14 0.95 0.00 0.00 175.26 175.01 1x48 s GLN 27 N -3.93 1.18 0.80 -4.83 0.74 -1.26 0.08 119.66 112.43 1x48 s GLN 27 Ca 0.38 -1.20 -0.17 0.00 0.05 0.00 0.00 55.36 54.43 1x48 s GLN 27 Cb -0.10 -1.49 -0.11 0.00 1.10 0.00 0.00 33.01 32.42 1x48 s GLN 27 CO 0.32 0.35 -0.19 0.00 -0.55 0.00 0.00 175.29 175.21 1x48 s GLU 29 N -2.07 3.64 0.00 0.00 2.02 -1.26 -4.92 118.70 116.10 1x48 s GLU 29 Ca 0.52 0.97 0.11 0.00 0.02 0.00 0.00 54.97 56.59 1x48 s GLU 29 Cb -0.31 -2.09 0.66 0.00 0.10 0.00 0.00 34.13 32.49 1x48 s GLU 29 CO 0.71 -0.53 1.09 -0.35 0.02 0.00 0.00 175.26 176.20 1x48 n PRO 30 N -2.07 0.49 -1.15 0.39 -0.04 -1.26 -4.88 135.00 126.48 1x48 n PRO 30 Ca 0.07 0.00 -0.45 0.00 -0.04 0.00 0.00 63.50 63.08 1x48 n PRO 30 Cb 0.54 -1.35 -0.06 0.00 -0.04 0.00 0.00 33.50 32.58 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 -0.85 0.36 -4.55 3.54 3.02 -1.26 -4.68 115.26 110.83 1x48 n ASN 31 Ca 0.08 0.84 -0.34 0.00 -0.03 0.00 0.00 54.58 55.13 1x48 n ASN 31 Cb 0.04 -0.65 -0.04 0.00 -0.61 0.00 0.00 39.78 38.53 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 0.90 4.90 -0.29 6.41 0.15 -1.26 -4.87 113.70 119.64 1x48 s SER 32 Ca 0.69 0.37 -0.13 0.00 0.70 0.00 0.00 55.95 57.58 1x48 s SER 32 Cb -0.98 -2.53 0.13 0.00 -1.71 0.00 0.00 66.02 60.93 1x48 s SER 32 CO 0.48 -2.70 0.78 -1.83 1.20 0.00 0.00 173.24 171.18 1x48 s GLU 33 N 7.53 0.51 0.16 5.44 -1.05 -1.26 -5.17 118.70 124.86 1x48 s GLU 33 Ca 0.78 1.14 0.05 0.00 -0.15 0.00 0.00 54.97 56.79 1x48 s GLU 33 Cb -0.13 0.52 -0.04 0.00 -0.44 0.00 0.00 34.13 34.04 1x48 s GLU 33 CO 0.18 -0.15 0.13 -0.51 0.95 0.00 0.00 175.26 175.86 1x48 s LEU 34 N 2.34 3.80 0.00 1.83 1.43 -1.26 -4.28 118.68 122.54 1x48 s LEU 34 Ca -0.06 -0.12 -0.19 0.00 -1.03 0.00 0.00 54.13 52.73 1x48 s LEU 34 Cb -0.08 -2.42 0.27 0.00 0.03 0.00 0.00 46.19 44.00 1x48 s LEU 34 CO -0.18 0.08 0.98 -0.81 0.23 0.00 0.00 176.35 176.64 1x48 n PRO 35 N -0.28 -2.94 -3.74 1.29 -0.04 -1.26 -5.16 135.00 122.86 1x48 n PRO 35 Ca -0.08 -1.57 -0.25 0.00 -0.04 0.00 0.00 63.50 61.55 1x48 n PRO 35 Cb 0.54 -1.47 -0.17 0.00 -0.04 0.00 0.00 33.50 32.36 1x48 n PRO 35 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 1x48 s GLN 36 N -5.23 0.59 0.40 0.54 -1.52 -1.26 -5.14 119.66 108.04 1x48 s GLN 36 Ca 0.64 -0.15 0.07 0.00 -1.95 0.00 0.00 55.36 53.97 1x48 s GLN 36 Cb -0.06 -1.56 -0.07 0.00 -0.22 0.00 0.00 33.01 31.09 1x48 s GLN 36 CO 0.49 -0.49 0.02 -0.98 -0.25 0.00 0.00 175.29 174.08 1x48 s ARG 37 N 1.93 1.98 -0.31 2.91 3.03 -1.26 -5.10 118.95 122.13 1x48 s ARG 37 Ca 0.02 -2.04 -0.28 0.00 2.03 0.00 0.00 55.73 55.47 1x48 s ARG 37 Cb -0.15 -1.71 0.01 0.00 -1.03 0.00 0.00 34.95 32.08 1x48 s ARG 37 CO -0.07 -0.03 1.01 -0.06 -1.13 0.00 0.00 175.30 175.02 1x48 s PHE 38 N -2.67 3.17 -0.01 5.89 0.08 -1.06 -4.98 117.98 118.40 1x48 s PHE 38 Ca 0.35 1.11 0.06 0.00 0.12 0.00 0.00 56.93 58.58 1x48 s PHE 38 Cb 0.08 -3.57 -0.02 0.00 -0.57 0.00 0.00 43.02 38.94 1x48 s PHE 38 CO 0.18 -0.71 -0.19 0.42 -0.10 0.00 0.00 175.22 174.83 1x48 s ILE 39 N 3.48 1.48 0.06 0.64 -1.09 -1.26 -1.20 121.20 123.31 1x48 s ILE 39 Ca 0.42 -0.84 0.01 0.00 -2.23 0.00 0.00 60.65 58.01 1x48 s ILE 39 Cb -0.13 -1.24 -0.04 0.00 -1.58 0.00 0.00 42.46 39.48 1x48 s ILE 39 CO 0.14 0.38 -0.05 0.00 -1.23 0.00 0.00 174.94 174.19 1x48 s LYS 41 N -3.17 -0.04 -0.40 0.00 3.01 0.11 -0.05 119.74 119.20 1x48 s LYS 41 Ca 0.03 0.32 -0.24 0.00 -1.01 0.00 0.00 55.97 55.07 1x48 s LYS 41 Cb 0.02 -0.47 0.02 0.00 -1.01 0.00 0.00 37.83 36.39 1x48 s LYS 41 CO -0.05 -0.29 0.85 0.00 0.51 0.00 0.00 175.35 176.37 1x48 s LYS 43 N 3.38 3.07 -0.39 0.00 1.02 0.78 -2.78 119.74 124.82 1x48 s LYS 43 Ca 0.34 -0.83 -0.11 0.00 0.02 0.00 0.00 55.97 55.39 1x48 s LYS 43 Cb -0.12 -2.46 0.04 0.00 -0.52 0.00 0.00 37.83 34.77 1x48 s LYS 43 CO 0.21 0.01 0.22 0.42 -0.92 0.00 0.00 175.35 175.29 1x48 s ILE 44 N 0.76 4.50 -1.01 2.17 1.09 0.50 -0.05 121.20 129.16 1x48 s ILE 44 Ca -0.08 -0.99 -0.01 0.00 -1.10 0.00 0.00 60.65 58.47 1x48 s ILE 44 Cb -0.16 -3.57 -0.01 0.00 -1.06 0.00 0.00 42.46 37.65 1x48 s ILE 44 CO -0.00 -0.31 0.85 0.61 -0.10 0.00 0.00 174.94 175.99 1x48 n GLY 45 N 4.98 -0.41 2.47 6.18 0.00 -0.67 -2.33 105.19 115.41 1x48 n GLY 45 Ca -0.11 0.14 -0.20 0.00 0.00 0.00 0.00 46.02 45.84 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 -3.54 -1.49 -4.36 1.61 3.00 -1.26 -4.97 117.38 106.37 1x48 n GLN 46 Ca -0.20 1.08 -0.30 0.00 -0.01 0.00 0.00 57.00 57.57 1x48 n GLN 46 Cb 0.64 -5.56 -0.17 0.00 0.00 0.00 0.00 30.24 25.15 1x48 n GLN 46 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.06 178.05 1x48 s THR 47 N -2.87 1.64 -0.17 5.09 2.01 -0.98 -5.10 115.64 115.25 1x48 s THR 47 Ca 0.00 -0.71 -0.29 0.00 0.31 0.00 0.00 61.69 61.00 1x48 s THR 47 Cb 0.00 -1.50 -0.01 0.00 0.01 0.00 0.00 72.50 71.01 1x48 s THR 47 CO 0.00 0.47 1.16 -0.32 -0.69 0.00 0.00 174.62 175.24 1x48 s MET 48 N 1.11 4.27 -0.00 4.92 1.75 -1.26 -0.37 119.30 129.72 1x48 s MET 48 Ca -0.03 1.54 -0.06 0.00 -1.25 0.00 0.00 55.69 55.89 1x48 s MET 48 Cb -0.14 -3.68 -0.02 0.00 2.84 0.00 0.00 34.83 33.83 1x48 s MET 48 CO -0.05 -0.61 -0.12 0.66 -0.65 0.00 0.00 175.02 174.25 1x48 n TYR 49 N 6.18 0.00 -4.07 4.11 4.01 -1.12 -4.97 117.16 121.30 1x48 n TYR 49 Ca 0.12 0.00 -0.10 0.00 -0.16 0.00 0.00 57.90 57.77 1x48 n TYR 49 Cb 0.46 -0.18 -0.11 0.00 -0.31 0.00 0.00 39.34 39.20 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 -4.34 0.47 -0.11 2.72 0.00 -1.19 -4.55 107.32 100.31 1x48 s GLY 50 Ca -0.10 -0.97 0.03 0.00 0.00 0.00 0.00 44.72 43.67 1x48 s GLY 50 CO 0.15 -1.06 -0.22 -1.59 0.00 0.00 0.00 173.10 170.38 1x48 s THR 51 N -2.64 2.23 -0.31 0.90 2.01 -1.26 -0.59 115.64 115.96 1x48 s THR 51 Ca -0.02 -0.95 -0.06 0.00 0.31 0.00 0.00 61.69 60.97 1x48 s THR 51 Cb -0.01 -1.87 0.03 0.00 0.01 0.00 0.00 72.50 70.66 1x48 s THR 51 CO -0.04 0.55 0.07 -0.83 -0.69 0.00 0.00 174.62 173.68 1x48 s GLY 52 N 0.43 1.79 -0.07 4.40 0.00 0.93 -4.33 107.32 110.49 1x48 s GLY 52 Ca -0.16 -1.63 0.03 0.00 0.00 0.00 0.00 44.72 42.96 1x48 s GLY 52 CO 0.07 0.70 -0.13 -0.56 0.00 0.00 0.00 173.10 173.17 1x48 s SER 53 N 1.41 4.10 0.00 1.64 0.01 -1.26 0.20 113.70 119.80 1x48 s SER 53 Ca -0.01 -0.20 0.00 0.00 1.31 0.00 0.00 55.95 57.06 1x48 s SER 53 Cb -0.19 -1.02 0.00 0.00 0.21 0.00 0.00 66.02 65.03 1x48 s SER 53 CO 0.02 0.32 0.00 0.61 0.41 0.00 0.00 173.24 174.59 1x48 n GLY 54 N 2.51 1.82 0.10 3.44 0.00 -0.34 -4.59 105.19 108.14 1x48 n GLY 54 Ca -0.17 -0.98 0.12 0.00 0.00 0.00 0.00 46.02 44.98 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 0.99 0.00 -3.61 1.61 -1.51 -1.96 -2.82 116.25 108.95 1x48 h VAL 55 Ca 0.00 -0.88 -0.46 0.00 -1.23 0.00 0.00 66.70 64.13 1x48 h VAL 55 Cb 0.00 1.39 -0.32 0.00 -2.13 0.00 0.00 31.29 30.23 1x48 h VAL 55 CO 0.00 0.00 -0.80 -0.89 -1.23 0.00 0.00 177.57 174.65 1x48 s THR 56 N -3.32 0.88 0.12 7.19 2.01 -1.26 -4.31 115.64 116.95 1x48 s THR 56 Ca 0.01 -0.37 -0.21 0.00 0.31 0.00 0.00 61.69 61.43 1x48 s THR 56 Cb 0.10 -0.81 -0.02 0.00 0.01 0.00 0.00 72.50 71.79 1x48 s THR 56 CO 0.78 0.29 1.11 1.17 -0.69 0.00 0.00 174.62 177.27 1x48 n LYS 57 N 3.62 -0.30 -0.01 4.92 0.00 -1.26 0.27 118.16 125.40 1x48 n LYS 57 Ca -0.21 1.09 -0.11 0.00 0.00 0.00 0.00 58.31 59.07 1x48 n LYS 57 Cb 0.53 -1.60 -0.05 0.00 0.00 0.00 0.00 35.03 33.91 1x48 n LYS 57 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.40 177.77 1x48 h GLN 58 N 0.00 -0.41 -0.25 1.64 4.15 -1.98 -0.57 115.11 117.69 1x48 h GLN 58 Ca 0.13 0.03 0.06 0.00 0.77 0.00 0.00 58.65 59.64 1x48 h GLN 58 Cb 0.31 0.09 -0.08 0.00 0.21 0.00 0.00 27.48 28.02 1x48 h GLN 58 CO -0.68 -0.27 -0.34 1.49 -1.93 0.00 0.00 178.83 177.09 1x48 h GLU 59 N -0.42 -0.34 0.13 1.69 4.81 -0.60 -0.43 114.58 119.42 1x48 h GLU 59 Ca 0.09 0.02 0.01 0.00 -0.13 0.00 0.00 59.36 59.35 1x48 h GLU 59 Cb 0.58 0.08 -0.03 0.00 0.63 0.00 0.00 28.75 30.00 1x48 h GLU 59 CO -0.39 -0.23 -0.39 0.00 -0.73 0.00 0.00 179.01 177.28 1x48 h ALA 60 N 0.50 -0.90 -0.70 2.92 0.00 -0.43 -2.53 119.26 118.13 1x48 h ALA 60 Ca 0.12 -0.09 0.12 0.00 0.00 0.00 0.00 54.91 55.07 1x48 h ALA 60 Cb 0.56 0.76 -0.13 0.00 0.00 0.00 0.00 17.79 18.98 1x48 h ALA 60 CO -0.44 -0.99 -0.30 -0.22 0.00 0.00 0.00 179.25 177.29 1x48 h LYS 61 N -0.58 -0.09 -0.45 0.00 3.64 -0.83 -1.48 116.57 116.78 1x48 h LYS 61 Ca -0.01 0.01 0.04 0.00 -1.27 0.00 0.00 60.65 59.42 1x48 h LYS 61 Cb 0.57 0.02 -0.06 0.00 -0.41 0.00 0.00 32.23 32.35 1x48 h LYS 61 CO -0.19 -0.06 -0.35 1.96 -2.27 0.00 0.00 179.45 178.54 1x48 h GLN 62 N -0.09 -0.10 -0.64 1.90 4.20 -0.67 0.22 115.11 119.92 1x48 h GLN 62 Ca 0.29 0.01 0.13 0.00 0.06 0.00 0.00 58.65 59.13 1x48 h GLN 62 Cb 0.56 0.02 -0.09 0.00 0.30 0.00 0.00 27.48 28.27 1x48 h GLN 62 CO -0.75 -0.07 0.13 -0.07 -0.67 0.00 0.00 178.83 177.40 1x48 h LEU 63 N -0.11 -0.01 -0.82 1.46 3.38 -0.99 -1.02 115.31 117.21 1x48 h LEU 63 Ca 0.07 0.12 0.32 0.00 0.09 0.00 0.00 57.88 58.49 1x48 h LEU 63 Cb 0.30 0.17 -0.15 0.00 0.09 0.00 0.00 40.66 41.07 1x48 h LEU 63 CO -0.48 -0.01 0.36 0.00 0.09 0.00 0.00 178.44 178.40 1x48 n ALA 64 N -2.63 0.76 0.26 1.53 0.00 0.05 -0.38 120.51 120.10 1x48 n ALA 64 Ca 0.10 0.84 -0.11 0.00 0.00 0.00 0.00 53.44 54.28 1x48 n ALA 64 Cb 0.36 -0.80 -0.05 0.00 0.00 0.00 0.00 19.45 18.96 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 1.63 -0.88 -1.07 0.00 0.00 -1.05 -1.99 119.26 115.90 1x48 h ALA 65 Ca 0.66 -0.15 0.38 0.00 0.00 0.00 0.00 54.91 55.79 1x48 h ALA 65 Cb 1.68 0.27 -0.12 0.00 0.00 0.00 0.00 17.79 19.62 1x48 h ALA 65 CO -0.65 -0.83 0.68 1.17 0.00 0.00 0.00 179.25 179.61 1x48 n LYS 66 N -4.47 -0.03 -0.05 0.00 4.81 0.49 0.12 118.16 119.04 1x48 n LYS 66 Ca -0.09 1.02 -0.13 0.00 -0.87 0.00 0.00 58.31 58.25 1x48 n LYS 66 Cb 0.27 -1.99 -0.11 0.00 0.02 0.00 0.00 35.03 33.22 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 -0.01 -0.30 1.64 4.39 -1.36 -3.26 114.58 115.66 1x48 h GLU 67 Ca 0.71 0.00 0.04 0.00 0.34 0.00 0.00 59.36 60.45 1x48 h GLU 67 Cb 2.22 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 30.84 1x48 h GLU 67 CO -0.41 0.77 0.07 0.00 -1.16 0.00 0.00 179.01 178.29 1x48 h ALA 68 N 0.09 0.32 -0.59 3.43 0.00 0.17 -2.53 119.26 120.16 1x48 h ALA 68 Ca -0.00 0.05 0.10 0.00 0.00 0.00 0.00 54.91 55.06 1x48 h ALA 68 Cb 0.79 0.06 -0.11 0.00 0.00 0.00 0.00 17.79 18.53 1x48 h ALA 68 CO 0.00 -0.34 -0.35 -0.92 0.00 0.00 0.00 179.25 177.64 1x48 h TYR 69 N 0.18 -0.99 0.30 0.00 3.20 -0.74 -0.89 116.97 118.04 1x48 h TYR 69 Ca 0.14 0.07 -0.01 0.00 3.14 0.00 0.00 58.73 62.07 1x48 h TYR 69 Cb 0.14 0.52 -0.01 0.00 1.54 0.00 0.00 36.73 38.92 1x48 h TYR 69 CO -0.16 -0.39 -0.25 1.96 -1.64 0.00 0.00 178.16 177.68 1x48 h GLN 70 N -0.18 -0.51 -0.97 1.82 1.08 -1.53 -2.03 115.11 112.80 1x48 h GLN 70 Ca 0.22 0.03 0.40 0.00 -1.45 0.00 0.00 58.65 57.86 1x48 h GLN 70 Cb 0.55 0.12 -0.17 0.00 -0.05 0.00 0.00 27.48 27.93 1x48 h GLN 70 CO -0.68 -0.34 0.53 1.63 -0.95 0.00 0.00 178.83 179.02 1x48 n LYS 71 N -3.84 -0.06 -0.18 1.46 4.76 -0.98 0.19 118.16 119.52 1x48 n LYS 71 Ca -0.06 1.30 -0.09 0.00 -2.87 0.00 0.00 58.31 56.58 1x48 n LYS 71 Cb 0.23 -2.35 0.01 0.00 -1.84 0.00 0.00 35.03 31.09 1x48 n LYS 71 CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 1x48 h LEU 72 N 0.00 0.83 -1.62 -0.35 3.38 -0.64 -0.15 115.31 116.76 1x48 h LEU 72 Ca 0.81 -0.28 -0.02 0.00 0.09 0.00 0.00 57.88 58.48 1x48 h LEU 72 Cb 2.16 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 42.68 1x48 h LEU 72 CO -0.71 0.90 -0.03 -0.07 0.09 0.00 0.00 178.44 178.62 1x48 h LEU 73 N 0.74 0.19 0.01 1.67 3.38 0.29 -2.19 115.31 119.38 1x48 h LEU 73 Ca 0.15 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.10 1x48 h LEU 73 Cb 0.44 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.14 1x48 h LEU 73 CO 0.01 0.25 -0.00 0.11 0.09 0.00 0.00 178.44 178.90 1x48 h LYS 74 N 0.20 -0.01 -3.08 1.13 1.79 -0.98 -3.43 116.57 112.19 1x48 h LYS 74 Ca 0.05 0.00 -0.62 0.00 -2.18 0.00 0.00 60.65 57.90 1x48 h LYS 74 Cb 0.19 0.00 -0.41 0.00 -1.58 0.00 0.00 32.23 30.43 1x48 h LYS 74 CO 0.01 -0.01 -0.68 0.45 -1.08 0.00 0.00 179.45 178.14 1x48 s SER 75 N -4.07 4.00 1.01 0.86 0.15 -0.10 -5.11 113.70 110.43 1x48 s SER 75 Ca -0.00 -3.15 -0.12 0.00 0.70 0.00 0.00 55.95 53.37 1x48 s SER 75 Cb 0.00 -1.34 0.20 0.00 -1.71 0.00 0.00 66.02 63.16 1x48 s SER 75 CO 0.00 -0.19 1.09 -2.16 1.20 0.00 0.00 173.24 173.18 1x48 s PRO 76 N -0.41 0.32 -0.02 5.44 0.04 -0.82 -4.59 135.00 134.96 1x48 s PRO 76 Ca 0.21 0.49 -0.25 0.00 0.04 0.00 0.00 61.00 61.48 1x48 s PRO 76 Cb -0.16 -1.73 -0.20 0.00 0.04 0.00 0.00 34.50 32.45 1x48 s PRO 76 CO -0.07 -2.80 1.23 -1.00 0.04 0.00 0.00 177.00 174.40 1x48 h PRO 77 N -1.94 -0.05 -3.99 0.56 0.13 -1.96 -3.40 132.00 121.34 1x48 h PRO 77 Ca -0.55 0.00 -0.64 0.00 -0.87 0.00 0.00 66.00 63.94 1x48 h PRO 77 Cb 1.33 0.01 -0.40 0.00 0.13 0.00 0.00 31.00 32.07 1x48 h PRO 77 CO 0.58 0.41 -0.70 0.21 -0.23 0.00 0.00 178.00 178.27 1x48 s LYS 78 N -4.22 1.54 -0.31 0.86 2.20 -1.26 -5.08 119.74 113.48 1x48 s LYS 78 Ca -0.15 -2.05 -0.43 0.00 -0.36 0.00 0.00 55.97 52.97 1x48 s LYS 78 Cb 0.02 -3.04 -0.19 0.00 -1.51 0.00 0.00 37.83 33.11 1x48 s LYS 78 CO 0.65 -1.02 1.49 2.41 -0.36 0.00 0.00 175.35 178.51 1x48 n THR 79 N 3.88 0.05 -2.62 3.43 -1.04 -1.26 -4.85 114.28 111.87 1x48 n THR 79 Ca 0.04 -0.01 -0.43 0.00 -2.04 0.00 0.00 64.05 61.61 1x48 n THR 79 Cb 0.38 -0.54 -0.02 0.00 -1.82 0.00 0.00 70.33 68.33 1x48 n THR 79 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1x48 s ALA 80 N 2.24 3.50 0.00 2.41 0.00 -1.26 -4.68 121.76 123.97 1x48 s ALA 80 Ca 0.99 -0.03 0.00 0.00 0.00 0.00 0.00 51.96 52.92 1x48 s ALA 80 Cb -1.33 -3.68 0.00 0.00 0.00 0.00 0.00 23.12 18.11 1x48 s ALA 80 CO 0.71 -1.49 0.00 0.41 0.00 0.00 0.00 175.76 175.39 1x48 n GLY 81 N 3.88 0.39 3.98 0.00 0.00 -1.26 -5.03 105.19 107.15 1x48 n GLY 81 Ca 0.12 -1.21 -0.20 0.00 0.00 0.00 0.00 46.02 44.74 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 0.00 4.30 0.10 2.61 -4.23 -1.26 -5.01 115.64 112.14 1x48 s THR 82 Ca 0.00 -0.94 -0.19 0.00 -1.18 0.00 0.00 61.69 59.37 1x48 s THR 82 Cb 0.00 -3.50 -0.04 0.00 1.34 0.00 0.00 72.50 70.29 1x48 s THR 82 CO 0.00 -0.21 1.11 -1.20 -0.54 0.00 0.00 174.62 173.79 1x48 n SER 83 N -1.64 -0.65 0.00 3.99 7.64 -1.26 -4.66 113.62 117.04 1x48 n SER 83 Ca -0.02 1.26 0.00 0.00 1.01 0.00 0.00 58.87 61.13 1x48 n SER 83 Cb 0.58 -0.23 0.00 0.00 -1.01 0.00 0.00 64.21 63.55 1x48 n SER 83 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x48 n GLY 84 N -1.15 -0.91 0.19 0.23 0.00 -1.26 -4.89 105.19 97.39 1x48 n GLY 84 Ca 0.01 0.83 -0.13 0.00 0.00 0.00 0.00 46.02 46.73 1x48 n GLY 84 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x48 h PRO 85 N 0.00 0.60 -6.89 1.61 0.13 -2.02 -3.45 132.00 121.97 1x48 h PRO 85 Ca 0.00 -0.31 -0.48 0.00 -0.87 0.00 0.00 66.00 64.34 1x48 h PRO 85 Cb 0.00 0.01 0.04 0.00 0.13 0.00 0.00 31.00 31.18 1x48 h PRO 85 CO 0.00 0.91 0.05 -1.54 -0.23 0.00 0.00 178.00 177.19 1x48 s SER 86 N -6.42 5.91 -0.30 1.44 1.04 -1.26 -5.03 113.70 109.08 1x48 s SER 86 Ca -0.13 0.63 0.13 0.00 0.48 0.00 0.00 55.95 57.06 1x48 s SER 86 Cb 0.08 -1.83 0.47 0.00 0.10 0.00 0.00 66.02 64.83 1x48 s SER 86 CO 0.81 -0.76 1.13 -1.54 0.98 0.00 0.00 173.24 173.86 1x48 n SER 87 N -2.28 3.41 0.00 7.02 3.41 -1.26 -5.20 113.62 118.72 1x48 n SER 87 Ca 0.02 -3.05 0.00 0.00 -0.26 0.00 0.00 58.87 55.57 1x48 n SER 87 Cb 0.57 -0.42 0.00 0.00 -0.26 0.00 0.00 64.21 64.10 1x48 n SER 87 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49