#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i55 s ASP 2 N 0.00 6.29 0.25 1.61 2.15 -1.26 -4.91 116.67 120.80 1i55 s ASP 2 Ca 0.00 -0.51 -0.04 0.00 0.43 0.00 0.00 52.55 52.43 1i55 s ASP 2 Cb 0.00 -2.32 0.38 0.00 -0.30 0.00 0.00 42.92 40.68 1i55 s ASP 2 CO 0.00 -0.83 1.85 0.58 -0.17 0.00 0.00 175.17 176.60 1i55 h VAL 3 N 5.88 1.02 -0.62 1.11 2.07 -1.88 -0.45 116.25 123.39 1i55 h VAL 3 Ca -0.26 -0.34 -0.02 0.00 0.82 0.00 0.00 66.70 66.89 1i55 h VAL 3 Cb 1.09 -0.06 -0.03 0.00 -1.52 0.00 0.00 31.29 30.77 1i55 h VAL 3 CO 0.92 0.18 0.29 0.00 0.02 0.00 0.00 177.57 178.98 1i55 h ALA 4 N 1.44 0.80 -0.13 1.67 0.00 -1.92 0.01 119.26 121.13 1i55 h ALA 4 Ca 0.40 -0.14 -0.14 0.00 0.00 0.00 0.00 54.91 55.04 1i55 h ALA 4 Cb 0.23 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1i55 h ALA 4 CO -0.19 0.37 -0.51 0.87 0.00 0.00 0.00 179.25 179.79 1i55 h LYS 5 N 0.85 0.35 -0.45 0.00 1.57 -1.80 -2.87 116.57 114.22 1i55 h LYS 5 Ca 0.21 -0.21 -0.07 0.00 -1.87 0.00 0.00 60.65 58.71 1i55 h LYS 5 Cb 0.13 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.44 1i55 h LYS 5 CO -0.03 0.78 -0.02 0.78 -0.57 0.00 0.00 179.45 180.39 1i55 h GLY 6 N 1.25 0.82 1.00 3.86 0.00 -0.58 -2.64 103.07 106.78 1i55 h GLY 6 Ca 0.01 -0.55 0.00 0.00 0.00 0.00 0.00 47.33 46.79 1i55 h GLY 6 CO 0.08 0.51 0.13 1.70 0.00 0.00 0.00 176.54 178.96 1i55 h LYS 7 N 0.70 0.26 -0.92 4.80 3.64 -0.79 -0.51 116.57 123.75 1i55 h LYS 7 Ca 0.14 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.49 1i55 h LYS 7 Cb 0.47 -0.06 -0.04 0.00 -0.41 0.00 0.00 32.23 32.19 1i55 h LYS 7 CO 0.02 0.17 0.54 -0.22 -2.27 0.00 0.00 179.45 177.69 1i55 h LYS 8 N 0.26 1.26 -0.44 1.90 3.64 -1.42 -0.38 116.57 121.39 1i55 h LYS 8 Ca 0.07 -0.12 -0.01 0.00 -1.27 0.00 0.00 60.65 59.32 1i55 h LYS 8 Cb -0.03 -0.26 -0.02 0.00 -0.41 0.00 0.00 32.23 31.51 1i55 h LYS 8 CO -0.02 0.89 0.25 1.15 -2.27 0.00 0.00 179.45 179.46 1i55 h THR 9 N 1.28 1.16 -0.09 1.00 2.02 -1.09 -0.92 112.91 116.26 1i55 h THR 9 Ca 0.33 -0.39 -0.00 0.00 0.77 0.00 0.00 66.41 67.12 1i55 h THR 9 Cb -0.03 0.61 -0.00 0.00 -1.74 0.00 0.00 68.15 66.99 1i55 h THR 9 CO -0.06 0.16 0.05 0.15 0.37 0.00 0.00 175.52 176.20 1i55 h PHE 10 N 0.58 0.12 -0.56 3.16 3.04 -0.47 0.10 116.94 122.92 1i55 h PHE 10 Ca 0.16 -0.00 -0.00 0.00 3.98 0.00 0.00 57.97 62.10 1i55 h PHE 10 Cb 0.04 -0.04 -0.03 0.00 2.56 0.00 0.00 35.95 38.48 1i55 h PHE 10 CO -0.02 0.13 0.34 0.28 -2.02 0.00 0.00 178.31 177.01 1i55 h VAL 11 N 0.08 1.16 0.20 1.41 2.07 -0.90 0.33 116.25 120.60 1i55 h VAL 11 Ca 0.03 -0.34 -0.32 0.00 0.82 0.00 0.00 66.70 66.89 1i55 h VAL 11 Cb 0.04 0.37 0.02 0.00 -1.52 0.00 0.00 31.29 30.20 1i55 h VAL 11 CO -0.01 0.16 -1.47 -0.61 0.02 0.00 0.00 177.57 175.66 1i55 h GLN 12 N 0.76 0.43 0.00 1.57 4.15 -0.87 -3.37 115.11 117.79 1i55 h GLN 12 Ca 0.20 -0.74 0.00 0.00 0.77 0.00 0.00 58.65 58.88 1i55 h GLN 12 Cb -0.04 0.27 0.00 0.00 0.21 0.00 0.00 27.48 27.93 1i55 h GLN 12 CO -0.04 1.34 -1.34 1.63 -1.93 0.00 0.00 178.83 178.49 1i55 n LYS 13 N -3.63 0.46 -0.04 1.69 5.02 0.33 -4.83 118.16 117.16 1i55 n LYS 13 Ca -0.16 -0.07 -0.05 0.00 -2.02 0.00 0.00 58.31 56.01 1i55 n LYS 13 Cb 1.08 -1.19 -0.06 0.00 -0.02 0.00 0.00 35.03 34.84 1i55 n LYS 13 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1i55 h ALA 15 N 0.28 2.18 0.00 0.00 0.00 -0.93 -1.04 119.26 119.75 1i55 h ALA 15 Ca -0.22 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.67 1i55 h ALA 15 Cb 1.45 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.28 1i55 h ALA 15 CO -0.00 -0.69 0.00 -0.56 0.00 0.00 0.00 179.25 177.99 1i55 h GLN 16 N 0.00 0.00 0.00 0.00 -0.00 -1.85 -3.26 115.11 110.00 1i55 h GLN 16 Ca 0.21 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.86 1i55 h GLN 16 Cb 1.13 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.61 1i55 h GLN 16 CO -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 178.83 178.83 1i55 s HIS 18 N -0.57 0.60 0.01 0.00 3.76 -0.51 -0.40 115.29 118.18 1i55 s HIS 18 Ca 0.00 -0.91 0.05 0.00 -0.15 0.00 0.00 55.06 54.05 1i55 s HIS 18 Cb 0.00 -0.40 -0.02 0.00 1.11 0.00 0.00 32.58 33.27 1i55 s HIS 18 CO 0.00 -0.27 -0.16 0.95 -0.85 0.00 0.00 174.74 174.42 1i55 s THR 19 N -3.30 1.24 -0.06 1.30 -4.23 -1.26 -4.30 115.64 105.03 1i55 s THR 19 Ca 0.04 -0.84 0.12 0.00 -1.18 0.00 0.00 61.69 59.82 1i55 s THR 19 Cb 0.03 -1.07 -0.17 0.00 1.34 0.00 0.00 72.50 72.63 1i55 s THR 19 CO -0.06 0.21 0.18 1.33 -0.54 0.00 0.00 174.62 175.74 1i55 n VAL 20 N 2.32 0.32 -1.57 2.29 0.24 -1.26 -0.87 118.33 119.81 1i55 n VAL 20 Ca -0.16 -0.37 -0.37 0.00 -2.04 0.00 0.00 64.34 61.40 1i55 n VAL 20 Cb 0.55 -0.15 0.07 0.00 -1.47 0.00 0.00 33.84 32.83 1i55 n VAL 20 CO 0.00 0.00 0.00 -1.84 -2.14 0.00 0.00 176.83 172.85 1i55 n GLU 21 N -2.13 0.81 -1.98 7.34 0.28 -1.26 -3.55 120.64 120.14 1i55 n GLU 21 Ca -0.09 0.33 -0.42 0.00 -0.16 0.00 0.00 57.16 56.81 1i55 n GLU 21 Cb 0.55 -2.25 -0.03 0.00 1.43 0.00 0.00 31.44 31.14 1i55 n GLU 21 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 177.13 178.18 1i55 s ASN 22 N -1.40 6.65 0.00 -1.84 3.84 -1.26 -1.31 114.94 119.62 1i55 s ASN 22 Ca 0.77 2.36 0.00 0.00 0.21 0.00 0.00 52.86 56.20 1i55 s ASN 22 Cb -0.39 -2.55 0.00 0.00 -0.55 0.00 0.00 41.25 37.76 1i55 s ASN 22 CO 0.46 -0.89 0.00 0.61 -2.79 0.00 0.00 177.10 174.49 1i55 n GLY 23 N 4.03 0.76 3.75 1.21 0.00 -1.26 -5.03 105.19 108.64 1i55 n GLY 23 Ca 0.16 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.83 1i55 n GLY 23 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1i55 s GLY 24 N -1.81 2.67 0.55 -0.02 0.00 -0.42 -5.00 107.32 103.29 1i55 s GLY 24 Ca 0.00 0.98 -0.12 0.00 0.00 0.00 0.00 44.72 45.58 1i55 s GLY 24 CO 0.00 1.37 0.97 -1.59 0.00 0.00 0.00 173.10 173.85 1i55 s LYS 25 N -3.43 3.71 0.13 2.90 -2.85 -1.26 -4.75 119.74 114.20 1i55 s LYS 25 Ca 0.77 0.72 -0.28 0.00 -1.00 0.00 0.00 55.97 56.18 1i55 s LYS 25 Cb -0.30 -2.16 -0.07 0.00 -2.06 0.00 0.00 37.83 33.25 1i55 s LYS 25 CO 0.35 -0.39 0.88 -1.01 0.10 0.00 0.00 175.35 175.27 1i55 s HIS 26 N -2.90 3.85 0.00 1.78 3.76 -1.26 -4.34 115.29 116.18 1i55 s HIS 26 Ca 0.55 1.73 0.00 0.00 -0.15 0.00 0.00 55.06 57.18 1i55 s HIS 26 Cb -0.11 -2.93 0.00 0.00 1.11 0.00 0.00 32.58 30.65 1i55 s HIS 26 CO 0.44 0.33 0.00 1.63 -0.85 0.00 0.00 174.74 176.30 1i55 n LYS 27 N 2.29 2.42 -0.22 1.40 5.02 -1.26 -4.94 118.16 122.86 1i55 n LYS 27 Ca -0.01 0.00 0.05 0.00 -2.02 0.00 0.00 58.31 56.33 1i55 n LYS 27 Cb 0.49 0.00 0.30 0.00 -0.02 0.00 0.00 35.03 35.80 1i55 n LYS 27 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1i55 h VAL 28 N 0.00 1.07 -1.81 -0.18 2.07 -1.84 -3.42 116.25 112.14 1i55 h VAL 28 Ca 0.00 -0.30 -0.55 0.00 0.82 0.00 0.00 66.70 66.66 1i55 h VAL 28 Cb 0.00 0.11 -0.08 0.00 -1.52 0.00 0.00 31.29 29.80 1i55 h VAL 28 CO 0.00 0.16 -0.53 -0.83 0.02 0.00 0.00 177.57 176.39 1i55 s GLY 29 N -3.49 2.05 0.61 2.17 0.00 0.46 -5.07 107.32 104.06 1i55 s GLY 29 Ca -0.10 -1.91 -0.16 0.00 0.00 0.00 0.00 44.72 42.55 1i55 s GLY 29 CO 0.78 -1.81 1.08 2.56 0.00 0.00 0.00 173.10 175.72 1i55 s PRO 30 N -3.85 3.15 0.41 2.90 0.04 -1.26 -4.66 135.00 131.74 1i55 s PRO 30 Ca 0.38 1.33 -0.26 0.00 0.04 0.00 0.00 61.00 62.49 1i55 s PRO 30 Cb -0.01 -2.00 -0.08 0.00 0.04 0.00 0.00 34.50 32.44 1i55 s PRO 30 CO 0.22 -0.96 1.29 1.21 0.04 0.00 0.00 177.00 178.81 1i55 s ASN 31 N -2.55 6.26 0.00 6.66 3.84 -1.26 -4.43 114.94 123.45 1i55 s ASN 31 Ca 0.66 2.63 0.23 0.00 0.21 0.00 0.00 52.86 56.59 1i55 s ASN 31 Cb -0.19 -2.64 0.48 0.00 -0.55 0.00 0.00 41.25 38.36 1i55 s ASN 31 CO 0.37 -0.88 1.43 0.18 -2.79 0.00 0.00 177.10 175.40 1i55 n LEU 32 N 0.04 3.28 -4.72 3.21 4.77 -0.05 -4.90 117.00 118.63 1i55 n LEU 32 Ca 0.04 -1.43 -0.42 0.00 -0.03 0.00 0.00 56.01 54.17 1i55 n LEU 32 Cb 0.44 -0.25 -0.03 0.00 -2.33 0.00 0.00 43.42 41.24 1i55 n LEU 32 CO 0.55 0.72 1.38 1.87 -1.33 0.00 0.00 177.39 180.57 1i55 n TRP 33 N 1.36 2.75 -0.83 -1.77 -0.00 -1.23 -1.96 117.44 115.77 1i55 n TRP 33 Ca 0.19 0.03 0.00 0.00 -0.00 0.00 0.00 57.50 57.72 1i55 n TRP 33 Cb 0.57 -2.68 0.00 0.00 -0.00 0.00 0.00 31.31 29.21 1i55 n TRP 33 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 1i55 n GLY 34 N 3.98 0.55 0.15 5.87 0.00 0.26 -4.98 105.19 111.02 1i55 n GLY 34 Ca 0.16 -0.35 -0.06 0.00 0.00 0.00 0.00 46.02 45.77 1i55 n GLY 34 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1i55 h LEU 35 N 0.00 -0.33 -9.78 0.99 5.85 -1.58 -3.40 115.31 107.06 1i55 h LEU 35 Ca 0.00 0.11 -0.52 0.00 0.84 0.00 0.00 57.88 58.30 1i55 h LEU 35 Cb 0.00 0.22 0.05 0.00 0.37 0.00 0.00 40.66 41.30 1i55 h LEU 35 CO 0.00 -0.12 0.67 -0.36 -0.34 0.00 0.00 178.44 178.29 1i55 s PHE 36 N -6.21 3.12 0.00 1.25 0.08 -1.26 -2.86 117.98 112.10 1i55 s PHE 36 Ca -0.14 1.27 0.00 0.00 0.12 0.00 0.00 56.93 58.18 1i55 s PHE 36 Cb 0.13 -3.68 0.00 0.00 -0.57 0.00 0.00 43.02 38.90 1i55 s PHE 36 CO 0.70 -2.04 0.00 0.41 -0.10 0.00 0.00 175.22 174.20 1i55 n GLY 37 N 1.64 0.91 3.61 4.36 0.00 0.36 -5.00 105.19 111.07 1i55 n GLY 37 Ca 0.04 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.75 1i55 n GLY 37 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1i55 s ARG 38 N -0.04 2.36 0.83 1.61 3.52 -1.13 -4.87 118.95 121.24 1i55 s ARG 38 Ca 0.00 -0.89 -0.11 0.00 -0.13 0.00 0.00 55.73 54.60 1i55 s ARG 38 Cb 0.00 -2.42 0.09 0.00 -1.56 0.00 0.00 34.95 31.06 1i55 s ARG 38 CO 0.00 0.54 1.09 0.15 -0.81 0.00 0.00 175.30 176.28 1i55 s LYS 39 N -2.00 1.77 0.40 5.12 1.02 -1.26 -1.15 119.74 123.64 1i55 s LYS 39 Ca 0.21 0.98 -0.27 0.00 0.02 0.00 0.00 55.97 56.92 1i55 s LYS 39 Cb -0.11 -1.86 -0.09 0.00 -0.52 0.00 0.00 37.83 35.25 1i55 s LYS 39 CO 0.13 -1.93 1.39 0.95 -0.92 0.00 0.00 175.35 174.97 1i55 s THR 40 N -2.93 2.31 -1.13 2.17 -4.23 -0.88 -3.72 115.64 107.23 1i55 s THR 40 Ca 0.62 0.30 -0.03 0.00 -1.18 0.00 0.00 61.69 61.40 1i55 s THR 40 Cb -0.17 -3.18 0.00 0.00 1.34 0.00 0.00 72.50 70.49 1i55 s THR 40 CO 0.56 0.05 0.96 0.61 -0.54 0.00 0.00 174.62 176.27 1i55 n GLY 41 N 0.60 -0.32 0.43 3.99 0.00 -1.26 -4.57 105.19 104.06 1i55 n GLY 41 Ca 0.03 0.09 0.05 0.00 0.00 0.00 0.00 46.02 46.18 1i55 n GLY 41 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1i55 n GLN 42 N -4.08 0.76 -1.98 1.61 1.13 -1.24 -4.84 117.38 108.72 1i55 n GLN 42 Ca -0.16 -1.23 -0.43 0.00 -1.94 0.00 0.00 57.00 53.24 1i55 n GLN 42 Cb 0.62 -1.20 -0.03 0.00 0.11 0.00 0.00 30.24 29.74 1i55 n GLN 42 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1i55 s ALA 43 N -0.86 3.18 0.28 -1.58 0.00 -1.26 -4.93 121.76 116.59 1i55 s ALA 43 Ca 0.13 0.57 -0.30 0.00 0.00 0.00 0.00 51.96 52.37 1i55 s ALA 43 Cb 0.09 -3.90 -0.11 0.00 0.00 0.00 0.00 23.12 19.20 1i55 s ALA 43 CO 0.13 -2.11 1.54 -2.00 0.00 0.00 0.00 175.76 173.31 1i55 s GLU 44 N 5.00 4.17 0.00 0.00 -6.30 -1.26 -2.92 118.70 117.39 1i55 s GLU 44 Ca 0.78 2.49 0.00 0.00 -2.50 0.00 0.00 54.97 55.74 1i55 s GLU 44 Cb -0.27 -3.05 0.00 0.00 0.00 0.00 0.00 34.13 30.81 1i55 s GLU 44 CO 0.32 -0.56 0.00 0.41 0.02 0.00 0.00 175.26 175.45 1i55 n GLY 45 N 2.07 1.20 3.75 -1.50 0.00 -1.26 -5.04 105.19 104.40 1i55 n GLY 45 Ca 0.07 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.74 1i55 n GLY 45 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1i55 s TYR 46 N -2.54 3.33 -0.60 1.61 5.04 -1.15 -5.06 117.35 117.98 1i55 s TYR 46 Ca 0.00 0.30 -0.20 0.00 -2.44 0.00 0.00 57.07 54.73 1i55 s TYR 46 Cb 0.00 -1.87 0.09 0.00 0.35 0.00 0.00 41.96 40.53 1i55 s TYR 46 CO 0.00 0.54 0.76 -1.12 -1.34 0.00 0.00 175.55 174.39 1i55 s SER 47 N -0.81 6.19 0.58 4.32 0.01 -1.26 -4.95 113.70 117.78 1i55 s SER 47 Ca 0.13 -1.27 -0.04 0.00 1.31 0.00 0.00 55.95 56.08 1i55 s SER 47 Cb -0.12 -2.33 0.02 0.00 0.21 0.00 0.00 66.02 63.80 1i55 s SER 47 CO 0.03 -1.17 0.87 -0.31 0.41 0.00 0.00 173.24 173.06 1i55 s TYR 48 N 3.02 3.12 0.66 2.43 2.02 -1.26 -5.09 117.35 122.25 1i55 s TYR 48 Ca 0.14 0.44 -0.11 0.00 -0.37 0.00 0.00 57.07 57.17 1i55 s TYR 48 Cb -0.22 -2.76 -0.02 0.00 -0.40 0.00 0.00 41.96 38.57 1i55 s TYR 48 CO 0.08 -0.87 1.06 0.95 -1.57 0.00 0.00 175.55 175.20 1i55 s THR 49 N -2.93 4.22 0.38 -0.71 -4.23 -1.26 -4.93 115.64 106.18 1i55 s THR 49 Ca 0.55 0.72 0.07 0.00 -1.18 0.00 0.00 61.69 61.85 1i55 s THR 49 Cb -0.10 -3.70 0.19 0.00 1.34 0.00 0.00 72.50 70.23 1i55 s THR 49 CO 0.43 -0.94 1.95 0.44 -0.54 0.00 0.00 174.62 175.95 1i55 h ASP 50 N -0.47 0.36 0.00 3.99 3.32 -1.98 -2.61 116.42 119.03 1i55 h ASP 50 Ca -0.44 -0.05 -0.00 0.00 0.02 0.00 0.00 57.03 56.55 1i55 h ASP 50 Cb 1.21 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 40.67 1i55 h ASP 50 CO 0.62 0.42 -0.00 0.00 -1.72 0.00 0.00 179.24 178.56 1i55 h ALA 51 N 1.63 -0.00 -0.11 3.45 0.00 -1.87 0.31 119.26 122.67 1i55 h ALA 51 Ca 0.09 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1i55 h ALA 51 Cb 0.24 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1i55 h ALA 51 CO 0.00 -0.47 0.07 -0.97 0.00 0.00 0.00 179.25 177.88 1i55 h ASN 52 N -0.06 0.13 -0.41 0.00 -0.00 -1.85 -1.49 115.58 111.90 1i55 h ASN 52 Ca -0.00 -0.03 -0.06 0.00 -0.00 0.00 0.00 56.30 56.21 1i55 h ASN 52 Cb 0.06 -0.03 -0.02 0.00 -0.00 0.00 0.00 38.32 38.32 1i55 h ASN 52 CO 0.00 0.12 0.06 0.11 -0.00 0.00 0.00 177.43 177.72 1i55 h LYS 53 N 0.13 0.77 0.00 6.67 1.57 -1.29 -3.11 116.57 121.31 1i55 h LYS 53 Ca 0.04 -0.18 0.00 0.00 -1.87 0.00 0.00 60.65 58.64 1i55 h LYS 53 Cb 0.01 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.22 1i55 h LYS 53 CO -0.01 0.74 -0.03 0.43 -0.57 0.00 0.00 179.45 180.01 1i55 n SER 54 N -4.25 0.63 -0.26 0.86 7.64 0.11 -3.98 113.62 114.36 1i55 n SER 54 Ca 0.03 0.53 0.07 0.00 1.01 0.00 0.00 58.87 60.52 1i55 n SER 54 Cb 0.26 -0.69 0.20 0.00 -1.01 0.00 0.00 64.21 62.97 1i55 n SER 54 CO 0.00 0.00 0.00 0.50 -3.01 0.00 0.00 175.04 172.53 1i55 h LYS 55 N 0.00 0.20 -0.09 1.43 1.63 -1.20 -3.46 116.57 115.08 1i55 h LYS 55 Ca 0.00 -0.01 -0.04 0.00 -0.85 0.00 0.00 60.65 59.75 1i55 h LYS 55 Cb 0.68 -0.04 -0.01 0.00 -0.60 0.00 0.00 32.23 32.25 1i55 h LYS 55 CO 0.00 0.13 -0.03 0.41 -3.45 0.00 0.00 179.45 176.51 1i55 n GLY 56 N -1.38 0.51 3.98 5.01 0.00 -1.26 -5.04 105.19 107.01 1i55 n GLY 56 Ca 0.16 -0.27 -0.19 0.00 0.00 0.00 0.00 46.02 45.72 1i55 n GLY 56 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1i55 s ILE 57 N -1.89 3.84 -0.19 -0.61 -5.25 -1.26 -4.92 121.20 110.93 1i55 s ILE 57 Ca 0.00 -1.05 -0.13 0.00 -0.99 0.00 0.00 60.65 58.49 1i55 s ILE 57 Cb 0.00 -3.32 -0.05 0.00 2.95 0.00 0.00 42.46 42.04 1i55 s ILE 57 CO 0.00 -0.13 0.25 -0.69 -1.79 0.00 0.00 174.94 172.58 1i55 s VAL 58 N -2.22 5.32 0.00 8.37 1.01 -1.26 -2.08 120.40 129.55 1i55 s VAL 58 Ca 0.46 0.44 -0.30 0.00 0.00 0.00 0.00 61.98 62.57 1i55 s VAL 58 Cb -0.09 -3.59 -0.05 0.00 0.00 0.00 0.00 36.38 32.65 1i55 s VAL 58 CO 0.31 0.37 1.31 0.26 0.00 0.00 0.00 175.10 177.35 1i55 s TRP 59 N 0.68 3.07 0.24 5.22 0.23 -0.30 -4.75 118.94 123.32 1i55 s TRP 59 Ca 0.14 1.01 -0.08 0.00 -2.03 0.00 0.00 56.10 55.13 1i55 s TRP 59 Cb -0.13 -3.56 0.03 0.00 0.03 0.00 0.00 33.47 29.84 1i55 s TRP 59 CO 0.03 -1.96 0.47 0.09 0.96 0.00 0.00 176.95 176.54 1i55 n ASN 60 N 4.98 -1.36 -0.13 2.95 5.03 -1.26 -0.48 115.26 124.99 1i55 n ASN 60 Ca 0.12 -1.99 -0.09 0.00 0.87 0.00 0.00 54.58 53.49 1i55 n ASN 60 Cb 0.45 2.28 -0.03 0.00 -1.02 0.00 0.00 39.78 41.45 1i55 n ASN 60 CO 0.00 0.00 0.00 0.78 -1.83 0.00 0.00 177.26 176.21 1i55 h ASN 61 N 1.21 -1.30 0.26 6.41 4.21 -1.96 0.11 115.58 124.53 1i55 h ASN 61 Ca -0.20 0.21 -0.01 0.00 1.21 0.00 0.00 56.30 57.50 1i55 h ASN 61 Cb 0.75 0.58 0.00 0.00 -1.12 0.00 0.00 38.32 38.54 1i55 h ASN 61 CO 0.26 -0.35 -0.13 -0.78 -1.29 0.00 0.00 177.43 175.14 1i55 h ASP 62 N -0.29 -0.30 -0.49 5.81 1.82 -1.97 -1.29 116.42 119.70 1i55 h ASP 62 Ca 0.15 -0.04 -0.08 0.00 -0.39 0.00 0.00 57.03 56.68 1i55 h ASP 62 Cb 0.57 0.08 -0.02 0.00 0.68 0.00 0.00 39.33 40.63 1i55 h ASP 62 CO -0.57 -0.16 0.01 0.71 -1.61 0.00 0.00 179.24 177.62 1i55 h THR 63 N -0.42 1.25 -0.46 2.25 1.35 -1.82 -2.49 112.91 112.57 1i55 h THR 63 Ca -0.04 -1.07 -0.11 0.00 -0.55 0.00 0.00 66.41 64.65 1i55 h THR 63 Cb 0.32 0.83 -0.02 0.00 -1.73 0.00 0.00 68.15 67.55 1i55 h THR 63 CO 0.06 0.38 -0.15 -0.07 -0.25 0.00 0.00 175.52 175.49 1i55 h LEU 64 N 0.85 0.88 -0.44 3.87 3.38 -0.96 -1.39 115.31 121.49 1i55 h LEU 64 Ca 0.16 -0.29 0.01 0.00 0.09 0.00 0.00 57.88 57.84 1i55 h LEU 64 Cb 0.49 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.98 1i55 h LEU 64 CO 0.02 1.02 0.29 0.24 0.09 0.00 0.00 178.44 180.11 1i55 h MET 65 N 0.78 0.57 -0.27 1.13 2.86 -1.00 -0.32 114.93 118.68 1i55 h MET 65 Ca 0.12 -0.03 -0.07 0.00 -2.06 0.00 0.00 59.70 57.65 1i55 h MET 65 Cb 0.67 -0.13 -0.01 0.00 0.06 0.00 0.00 31.60 32.20 1i55 h MET 65 CO 0.05 0.38 -0.11 1.49 1.06 0.00 0.00 176.91 179.78 1i55 h GLU 66 N 0.59 0.55 0.22 1.72 4.81 -1.34 -3.08 114.58 118.06 1i55 h GLU 66 Ca 0.16 -0.23 -0.00 0.00 -0.13 0.00 0.00 59.36 59.16 1i55 h GLU 66 Cb -0.06 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.29 1i55 h GLU 66 CO -0.04 0.79 -0.19 -0.92 -0.73 0.00 0.00 179.01 177.92 1i55 h TYR 67 N 0.29 -0.49 0.00 0.92 5.03 -1.08 -2.67 116.97 118.97 1i55 h TYR 67 Ca 0.06 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.37 1i55 h TYR 67 Cb 0.62 0.18 0.00 0.00 1.55 0.00 0.00 36.73 39.08 1i55 h TYR 67 CO 0.06 -0.28 0.00 -0.07 -1.32 0.00 0.00 178.16 176.55 1i55 h LEU 68 N -0.42 0.00 -0.28 2.82 3.38 -1.12 -0.60 115.31 119.10 1i55 h LEU 68 Ca -0.01 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.76 1i55 h LEU 68 Cb 0.38 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.13 1i55 h LEU 68 CO -0.02 0.00 -0.85 -0.08 0.09 0.00 0.00 178.44 177.58 1i55 h GLU 69 N 0.00 0.39 -0.87 1.13 4.81 -1.37 0.35 114.58 119.02 1i55 h GLU 69 Ca 0.00 -0.38 -0.07 0.00 -0.13 0.00 0.00 59.36 58.79 1i55 h GLU 69 Cb 0.15 0.10 -0.18 0.00 0.63 0.00 0.00 28.75 29.45 1i55 h GLU 69 CO 0.00 1.04 -0.41 1.21 -0.73 0.00 0.00 179.01 180.12 1i55 s ASN 70 N -7.02 -1.31 0.21 1.04 3.84 -0.79 -4.25 114.94 106.67 1i55 s ASN 70 Ca -0.05 -1.03 -0.13 0.00 0.21 0.00 0.00 52.86 51.86 1i55 s ASN 70 Cb 0.10 1.69 0.26 0.00 -0.55 0.00 0.00 41.25 42.75 1i55 s ASN 70 CO 0.85 -0.10 1.63 -0.65 -2.79 0.00 0.00 177.10 176.04 1i55 h PRO 71 N 5.94 0.02 0.00 0.43 0.11 -1.34 -2.46 132.00 134.71 1i55 h PRO 71 Ca 0.04 -0.00 -0.08 0.00 0.11 0.00 0.00 66.00 66.07 1i55 h PRO 71 Cb 1.16 -0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.25 1i55 h PRO 71 CO 0.04 0.01 -0.38 1.57 -0.21 0.00 0.00 178.00 179.03 1i55 h LYS 72 N 0.02 0.00 -0.27 1.05 2.10 -1.84 -0.88 116.57 116.75 1i55 h LYS 72 Ca 0.32 0.00 -0.19 0.00 -2.00 0.00 0.00 60.65 58.78 1i55 h LYS 72 Cb 0.50 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.83 1i55 h LYS 72 CO -0.64 0.38 -0.58 -0.22 -2.00 0.00 0.00 179.45 176.39 1i55 h LYS 73 N 0.00 0.87 -0.12 0.07 3.64 -1.83 -2.34 116.57 116.87 1i55 h LYS 73 Ca -0.00 -0.57 -0.21 0.00 -1.27 0.00 0.00 60.65 58.59 1i55 h LYS 73 Cb 0.78 0.08 0.01 0.00 -0.41 0.00 0.00 32.23 32.68 1i55 h LYS 73 CO 0.05 1.20 -0.76 -0.92 -2.27 0.00 0.00 179.45 176.75 1i55 h TYR 74 N 0.66 1.00 -2.69 1.91 3.20 -1.32 -3.38 116.97 116.35 1i55 h TYR 74 Ca 0.01 -0.46 -0.60 0.00 3.14 0.00 0.00 58.73 60.81 1i55 h TYR 74 Cb 1.19 -0.15 -0.41 0.00 1.54 0.00 0.00 36.73 38.91 1i55 h TYR 74 CO 0.07 1.28 -0.72 -0.89 -1.64 0.00 0.00 178.16 176.27 1i55 n ILE 75 N -3.99 0.80 -1.69 1.81 5.41 -0.35 -5.08 119.36 116.27 1i55 n ILE 75 Ca -0.08 -4.47 -0.44 0.00 1.00 0.00 0.00 62.75 58.76 1i55 n ILE 75 Cb 0.74 -2.01 -0.03 0.00 -0.71 0.00 0.00 39.64 37.62 1i55 n ILE 75 CO 0.00 0.00 0.00 -2.65 0.00 0.00 0.00 176.55 173.90 1i55 n PRO 76 N 2.00 2.42 -0.14 0.38 -0.02 -0.88 -1.63 135.00 137.13 1i55 n PRO 76 Ca 0.24 0.87 0.00 0.00 -2.02 0.00 0.00 63.50 62.59 1i55 n PRO 76 Cb 0.41 -2.66 0.00 0.00 -0.02 0.00 0.00 33.50 31.23 1i55 n PRO 76 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1i55 n GLY 77 N 3.36 0.57 3.77 -1.23 0.00 -1.26 -4.80 105.19 105.59 1i55 n GLY 77 Ca 0.15 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.80 1i55 n GLY 77 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1i55 s THR 78 N -2.31 2.86 -2.21 2.61 -1.32 -0.64 -4.77 115.64 109.86 1i55 s THR 78 Ca 0.00 0.67 0.18 0.00 -1.21 0.00 0.00 61.69 61.33 1i55 s THR 78 Cb 0.00 -3.35 0.42 0.00 -1.51 0.00 0.00 72.50 68.06 1i55 s THR 78 CO 0.00 0.01 1.44 2.29 -2.21 0.00 0.00 174.62 176.15 1i55 n LYS 79 N -0.46 1.92 -2.63 7.08 2.85 -1.26 -4.74 118.16 120.91 1i55 n LYS 79 Ca 0.07 -1.40 -0.42 0.00 -1.05 0.00 0.00 58.31 55.51 1i55 n LYS 79 Cb 0.47 -1.39 -0.03 0.00 -0.65 0.00 0.00 35.03 33.43 1i55 n LYS 79 CO 0.00 0.00 0.00 1.41 -0.05 0.00 0.00 177.40 178.76 1i55 s MET 80 N -1.63 3.33 -0.81 -1.58 1.75 -1.26 -4.95 119.30 114.15 1i55 s MET 80 Ca 0.32 -0.12 -0.16 0.00 -1.25 0.00 0.00 55.69 54.48 1i55 s MET 80 Cb 0.17 -4.10 0.18 0.00 2.84 0.00 0.00 34.83 33.91 1i55 s MET 80 CO 0.24 -1.84 0.84 0.42 -0.65 0.00 0.00 175.02 174.03 1i55 s ILE 81 N 5.02 5.25 -0.21 10.11 -1.09 -1.26 -4.75 121.20 134.26 1i55 s ILE 81 Ca 0.36 -1.98 -0.11 0.00 -2.23 0.00 0.00 60.65 56.69 1i55 s ILE 81 Cb -0.09 -4.55 0.07 0.00 -1.58 0.00 0.00 42.46 36.32 1i55 s ILE 81 CO 0.19 -1.16 0.50 0.12 -1.23 0.00 0.00 174.94 173.37 1i55 s PHE 82 N 1.25 -0.81 0.39 3.97 2.19 -1.26 -5.06 117.98 118.65 1i55 s PHE 82 Ca 0.20 1.62 0.07 0.00 0.33 0.00 0.00 56.93 59.15 1i55 s PHE 82 Cb -0.12 0.41 0.82 0.00 -1.31 0.00 0.00 43.02 42.82 1i55 s PHE 82 CO -0.06 -0.44 2.03 0.00 1.83 0.00 0.00 175.22 178.58 1i55 h ALA 83 N 7.33 1.70 0.00 11.12 0.00 -1.96 -3.40 119.26 134.05 1i55 h ALA 83 Ca -0.30 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.58 1i55 h ALA 83 Cb 1.18 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.79 1i55 h ALA 83 CO 0.22 0.25 0.00 0.41 0.00 0.00 0.00 179.25 180.13 1i55 n GLY 84 N -1.47 2.41 3.47 0.00 0.00 -1.26 -4.34 105.19 104.00 1i55 n GLY 84 Ca 0.05 -2.02 -0.43 0.00 0.00 0.00 0.00 46.02 43.62 1i55 n GLY 84 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1i55 s ILE 85 N -2.47 4.84 0.23 -0.61 1.01 0.12 -4.94 121.20 119.38 1i55 s ILE 85 Ca 0.00 -0.27 0.05 0.00 0.00 0.00 0.00 60.65 60.44 1i55 s ILE 85 Cb 0.00 -4.27 -0.05 0.00 0.01 0.00 0.00 42.46 38.14 1i55 s ILE 85 CO 0.00 -0.75 1.55 0.11 0.00 0.00 0.00 174.94 175.85 1i55 h LYS 86 N 8.97 0.19 -6.32 2.79 1.79 -1.84 -3.38 116.57 118.78 1i55 h LYS 86 Ca -0.27 -0.14 -0.55 0.00 -2.18 0.00 0.00 60.65 57.51 1i55 h LYS 86 Cb 1.09 0.02 -0.02 0.00 -1.58 0.00 0.00 32.23 31.75 1i55 h LYS 86 CO 0.94 0.76 0.66 0.15 -1.08 0.00 0.00 179.45 180.88 1i55 s LYS 87 N -3.66 4.38 0.12 3.15 -0.14 -1.26 -4.96 119.74 117.37 1i55 s LYS 87 Ca -0.03 1.62 -0.20 0.00 -1.36 0.00 0.00 55.97 56.00 1i55 s LYS 87 Cb 0.12 -3.54 -0.04 0.00 -1.68 0.00 0.00 37.83 32.69 1i55 s LYS 87 CO 0.79 -0.40 1.74 -0.22 -0.76 0.00 0.00 175.35 176.50 1i55 h LYS 88 N 7.33 0.11 -0.65 1.68 3.64 -1.99 -1.18 116.57 125.50 1i55 h LYS 88 Ca -0.34 -0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.04 1i55 h LYS 88 Cb 1.16 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.93 1i55 h LYS 88 CO 0.87 0.07 0.43 0.78 -2.27 0.00 0.00 179.45 179.33 1i55 h GLY 89 N 0.11 0.92 1.42 5.01 0.00 -1.98 -0.56 103.07 107.99 1i55 h GLY 89 Ca 0.09 -0.35 -0.05 0.00 0.00 0.00 0.00 47.33 47.01 1i55 h GLY 89 CO -0.11 0.34 0.06 -2.09 0.00 0.00 0.00 176.54 174.74 1i55 h GLU 90 N 0.89 0.72 -0.30 4.80 4.81 -1.93 -2.06 114.58 121.50 1i55 h GLU 90 Ca 0.24 -0.16 -0.08 0.00 -0.13 0.00 0.00 59.36 59.24 1i55 h GLU 90 Cb -0.09 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.18 1i55 h GLU 90 CO -0.05 0.69 -0.10 0.00 -0.73 0.00 0.00 179.01 178.82 1i55 h ARG 91 N 0.69 0.61 -0.51 1.92 3.08 -0.56 -1.90 114.38 117.71 1i55 h ARG 91 Ca 0.15 -0.25 0.03 0.00 0.07 0.00 0.00 59.98 59.98 1i55 h ARG 91 Cb 0.34 -0.03 -0.04 0.00 0.08 0.00 0.00 29.97 30.32 1i55 h ARG 91 CO 0.01 0.81 0.28 1.96 -1.07 0.00 0.00 179.97 181.96 1i55 h GLN 92 N 0.37 0.53 -0.52 0.04 4.20 -0.86 -0.10 115.11 118.76 1i55 h GLN 92 Ca 0.07 -0.03 -0.05 0.00 0.06 0.00 0.00 58.65 58.70 1i55 h GLN 92 Cb 0.61 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 28.25 1i55 h GLN 92 CO 0.04 0.35 0.12 -0.44 -0.67 0.00 0.00 178.83 178.23 1i55 h ASP 93 N 0.55 0.80 -0.27 1.46 3.32 -1.33 -0.82 116.42 120.13 1i55 h ASP 93 Ca 0.21 -0.24 -0.01 0.00 0.02 0.00 0.00 57.03 57.01 1i55 h ASP 93 Cb 0.08 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.40 1i55 h ASP 93 CO -0.12 0.83 0.13 0.25 -1.72 0.00 0.00 179.24 178.61 1i55 h LEU 94 N 0.74 0.36 -1.24 1.55 5.85 -0.97 -1.40 115.31 120.19 1i55 h LEU 94 Ca 0.16 -0.13 -0.01 0.00 0.84 0.00 0.00 57.88 58.74 1i55 h LEU 94 Cb 0.35 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.26 1i55 h LEU 94 CO 0.00 0.39 0.36 0.58 -0.34 0.00 0.00 178.44 179.43 1i55 h VAL 95 N 0.30 1.19 -0.73 1.05 2.07 -0.89 0.19 116.25 119.42 1i55 h VAL 95 Ca 0.09 -0.46 -0.04 0.00 0.82 0.00 0.00 66.70 67.11 1i55 h VAL 95 Cb 0.13 0.32 -0.03 0.00 -1.52 0.00 0.00 31.29 30.18 1i55 h VAL 95 CO -0.01 0.21 0.28 0.00 0.02 0.00 0.00 177.57 178.07 1i55 h ALA 96 N 1.51 1.11 -0.16 1.67 0.00 -0.70 -0.92 119.26 121.77 1i55 h ALA 96 Ca 0.23 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 1i55 h ALA 96 Cb 0.01 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.50 1i55 h ALA 96 CO -0.04 0.63 -0.05 -0.92 0.00 0.00 0.00 179.25 178.87 1i55 h TYR 97 N 1.07 0.36 -0.64 0.00 3.20 -0.34 -2.50 116.97 118.12 1i55 h TYR 97 Ca 0.25 -0.08 0.10 0.00 3.14 0.00 0.00 58.73 62.13 1i55 h TYR 97 Cb 0.22 -0.09 -0.07 0.00 1.54 0.00 0.00 36.73 38.33 1i55 h TYR 97 CO 0.02 0.61 0.26 -0.07 -1.64 0.00 0.00 178.16 177.34 1i55 h LEU 98 N 0.00 0.27 -1.23 2.82 3.38 -0.72 0.23 115.31 120.06 1i55 h LEU 98 Ca 0.04 0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.09 1i55 h LEU 98 Cb 0.51 0.05 -0.04 0.00 0.09 0.00 0.00 40.66 41.27 1i55 h LEU 98 CO 0.02 0.15 0.46 0.50 0.09 0.00 0.00 178.44 179.66 1i55 h LYS 99 N 0.44 0.98 0.07 1.13 3.64 -1.08 -0.56 116.57 121.19 1i55 h LYS 99 Ca 0.32 -0.07 -0.25 0.00 -1.27 0.00 0.00 60.65 59.38 1i55 h LYS 99 Cb 0.40 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 32.01 1i55 h LYS 99 CO -0.31 0.67 -1.11 1.03 -2.27 0.00 0.00 179.45 177.46 1i55 h SER 100 N 1.00 0.49 0.54 4.20 0.87 -0.74 -3.35 113.55 116.55 1i55 h SER 100 Ca 0.26 -0.46 0.00 0.00 -1.23 0.00 0.00 61.79 60.37 1i55 h SER 100 Cb -0.07 -0.15 0.00 0.00 -0.44 0.00 0.00 62.40 61.73 1i55 h SER 100 CO -0.05 1.30 -0.58 0.00 -0.53 0.00 0.00 176.83 176.97 1i55 n ALA 101 N -2.54 3.47 -0.22 6.23 0.00 0.69 -4.16 120.51 123.99 1i55 n ALA 101 Ca -0.08 -0.35 0.10 0.00 0.00 0.00 0.00 53.44 53.11 1i55 n ALA 101 Cb 0.94 -1.10 0.26 0.00 0.00 0.00 0.00 19.45 19.54 1i55 n ALA 101 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1i55 n THR 102 N -1.64 0.91 -1.86 0.00 -2.24 -0.24 -4.43 114.28 104.79 1i55 n THR 102 Ca 0.05 -0.96 0.00 0.00 -2.27 0.00 0.00 64.05 60.87 1i55 n THR 102 Cb 0.36 0.58 0.00 0.00 -2.10 0.00 0.00 70.33 69.17 1i55 n THR 102 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96