#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 6.48 0.21 1.61 -1.08 -1.26 -4.87 116.67 117.76 1i55 s ASP 2 Ca 0.00 0.06 -0.10 0.00 -0.52 0.00 0.00 52.55 51.99 1i55 s ASP 2 Cb 0.00 -2.47 0.18 0.00 -1.46 0.00 0.00 42.92 39.17 1i55 s ASP 2 CO 0.00 -1.15 1.88 0.58 0.52 0.00 0.00 175.17 177.00 1i55 h VAL 3 N 6.10 1.18 -0.65 1.11 2.07 -1.88 -1.33 116.25 122.84 1i55 h VAL 3 Ca -0.24 -0.35 -0.02 0.00 0.82 0.00 0.00 66.70 66.91 1i55 h VAL 3 Cb 1.07 0.07 -0.03 0.00 -1.52 0.00 0.00 31.29 30.88 1i55 h VAL 3 CO 1.07 0.19 0.33 0.00 0.02 0.00 0.00 177.57 179.18 1i55 h ALA 4 N 1.29 0.84 -0.44 1.67 0.00 -1.91 -0.95 119.26 119.76 1i55 h ALA 4 Ca 0.29 -0.13 -0.12 0.00 0.00 0.00 0.00 54.91 54.95 1i55 h ALA 4 Cb -0.09 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.43 1i55 h ALA 4 CO -0.07 0.38 -0.21 0.87 0.00 0.00 0.00 179.25 180.22 1i55 h LYS 5 N 0.90 0.90 -0.38 0.00 1.57 -1.85 -2.89 116.57 114.81 1i55 h LYS 5 Ca 0.23 -0.37 -0.06 0.00 -1.87 0.00 0.00 60.65 58.58 1i55 h LYS 5 Cb 0.09 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.34 1i55 h LYS 5 CO -0.03 1.02 -0.01 0.78 -0.57 0.00 0.00 179.45 180.64 1i55 h GLY 6 N 0.92 0.65 0.99 3.86 0.00 -0.91 -2.40 103.07 106.18 1i55 h GLY 6 Ca 0.10 -0.40 -0.02 0.00 0.00 0.00 0.00 47.33 47.01 1i55 h GLY 6 CO 0.06 0.38 0.28 1.70 0.00 0.00 0.00 176.54 178.96 1i55 h LYS 7 N 0.57 0.80 -0.21 4.80 3.64 -0.98 0.64 116.57 125.84 1i55 h LYS 7 Ca 0.12 -0.11 -0.09 0.00 -1.27 0.00 0.00 60.65 59.30 1i55 h LYS 7 Cb 0.38 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 32.04 1i55 h LYS 7 CO 0.01 0.65 -0.24 0.87 -2.27 0.00 0.00 179.45 178.47 1i55 h LYS 8 N 0.76 0.38 -0.41 1.90 1.57 -1.38 -0.45 116.57 118.94 1i55 h LYS 8 Ca 0.19 -0.14 -0.09 0.00 -1.87 0.00 0.00 60.65 58.74 1i55 h LYS 8 Cb 0.10 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.37 1i55 h LYS 8 CO -0.03 0.61 -0.11 1.15 -0.57 0.00 0.00 179.45 180.50 1i55 h THR 9 N 0.34 1.28 -0.00 -0.16 2.02 -0.93 -1.47 112.91 113.99 1i55 h THR 9 Ca 0.05 -1.21 -0.00 0.00 0.77 0.00 0.00 66.41 66.02 1i55 h THR 9 Cb 0.62 1.21 -0.00 0.00 -1.74 0.00 0.00 68.15 68.24 1i55 h THR 9 CO 0.04 0.41 0.00 0.15 0.37 0.00 0.00 175.52 176.49 1i55 h PHE 10 N 0.62 0.00 -0.95 3.16 3.04 -0.54 0.28 116.94 122.55 1i55 h PHE 10 Ca 0.10 -0.00 0.06 0.00 3.98 0.00 0.00 57.97 62.11 1i55 h PHE 10 Cb 0.64 -0.00 -0.06 0.00 2.56 0.00 0.00 35.95 39.09 1i55 h PHE 10 CO 0.05 0.13 0.62 0.28 -2.02 0.00 0.00 178.31 177.37 1i55 h VAL 11 N -0.13 1.10 0.05 1.41 2.07 -1.01 0.50 116.25 120.25 1i55 h VAL 11 Ca 0.00 -0.39 -0.28 0.00 0.82 0.00 0.00 66.70 66.85 1i55 h VAL 11 Cb 0.13 -0.12 0.02 0.00 -1.52 0.00 0.00 31.29 29.79 1i55 h VAL 11 CO -0.00 0.21 -1.12 -0.61 0.02 0.00 0.00 177.57 176.06 1i55 h GLN 12 N 1.13 0.65 0.00 1.57 4.15 -1.07 -3.36 115.11 118.17 1i55 h GLN 12 Ca 0.40 -0.76 0.00 0.00 0.77 0.00 0.00 58.65 59.06 1i55 h GLN 12 Cb 0.13 0.23 0.00 0.00 0.21 0.00 0.00 27.48 28.05 1i55 h GLN 12 CO -0.15 1.33 -0.92 1.63 -1.93 0.00 0.00 178.83 178.80 1i55 n LYS 13 N -3.81 2.10 -0.00 1.69 5.02 0.07 -4.84 118.16 118.39 1i55 n LYS 13 Ca -0.12 -0.04 -0.00 0.00 -2.02 0.00 0.00 58.31 56.13 1i55 n LYS 13 Cb 0.92 -1.04 -0.01 0.00 -0.02 0.00 0.00 35.03 34.88 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 0.03 2.44 0.00 0.00 0.00 -1.02 -1.24 119.26 119.48 1i55 h ALA 15 Ca -0.02 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 1i55 h ALA 15 Cb 1.04 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.84 1i55 h ALA 15 CO 0.00 -0.71 -0.02 -0.56 0.00 0.00 0.00 179.25 177.97 1i55 h GLN 16 N 0.24 0.00 0.00 0.00 -0.00 -1.86 -3.13 115.11 110.37 1i55 h GLN 16 Ca 0.44 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 59.09 1i55 h GLN 16 Cb 1.34 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.82 1i55 h GLN 16 CO -0.11 0.02 0.00 0.00 -0.00 0.00 0.00 178.83 178.74 1i55 s HIS 18 N -0.28 0.26 0.20 0.00 3.76 -0.61 -0.35 115.29 118.27 1i55 s HIS 18 Ca 0.00 -0.54 0.10 0.00 -0.15 0.00 0.00 55.06 54.47 1i55 s HIS 18 Cb 0.00 -0.19 -0.04 0.00 1.11 0.00 0.00 32.58 33.45 1i55 s HIS 18 CO 0.00 -0.23 -0.20 0.95 -0.85 0.00 0.00 174.74 174.41 1i55 s THR 19 N -1.75 2.14 0.00 1.30 -4.23 -1.26 -4.41 115.64 107.43 1i55 s THR 19 Ca -0.13 -2.09 0.00 0.00 -1.18 0.00 0.00 61.69 58.29 1i55 s THR 19 Cb -0.08 -2.06 0.00 0.00 1.34 0.00 0.00 72.50 71.70 1i55 s THR 19 CO -0.02 -0.29 0.00 1.33 -0.54 0.00 0.00 174.62 175.10 1i55 n VAL 20 N 0.02 0.00 -1.39 2.29 0.24 -1.26 -0.94 118.33 117.29 1i55 n VAL 20 Ca -0.11 0.00 -0.34 0.00 -2.04 0.00 0.00 64.34 61.86 1i55 n VAL 20 Cb 0.58 -0.00 0.09 0.00 -1.47 0.00 0.00 33.84 33.04 1i55 n VAL 20 CO 0.00 0.00 0.00 -1.83 -2.14 0.00 0.00 176.83 172.86 1i55 s GLU 21 N -1.95 2.11 0.03 7.34 -1.05 -1.26 -3.16 118.70 120.76 1i55 s GLU 21 Ca 0.00 1.66 -0.30 0.00 -0.15 0.00 0.00 54.97 56.17 1i55 s GLU 21 Cb 0.00 -1.84 -0.08 0.00 -0.44 0.00 0.00 34.13 31.77 1i55 s GLU 21 CO 0.00 -1.84 1.70 1.21 0.95 0.00 0.00 175.26 177.29 1i55 s ASN 22 N -2.24 6.60 0.00 0.83 2.47 -1.26 -1.01 114.94 120.32 1i55 s ASN 22 Ca 0.72 2.44 0.00 0.00 0.42 0.00 0.00 52.86 56.44 1i55 s ASN 22 Cb -0.27 -2.55 0.00 0.00 -1.45 0.00 0.00 41.25 36.98 1i55 s ASN 22 CO 0.47 -0.93 0.00 0.61 -3.72 0.00 0.00 177.10 173.53 1i55 n GLY 23 N 4.12 0.72 3.73 1.21 0.00 -1.26 -5.03 105.19 108.68 1i55 n GLY 23 Ca 0.17 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.82 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 -1.93 2.87 0.36 -0.02 0.00 -0.18 -4.99 107.32 103.43 1i55 s GLY 24 Ca 0.00 1.24 -0.20 0.00 0.00 0.00 0.00 44.72 45.76 1i55 s GLY 24 CO 0.00 1.67 0.86 -1.59 0.00 0.00 0.00 173.10 174.04 1i55 s LYS 25 N -3.35 4.21 -0.00 2.90 -2.85 -1.26 -4.74 119.74 114.65 1i55 s LYS 25 Ca 0.82 0.99 -0.26 0.00 -1.00 0.00 0.00 55.97 56.52 1i55 s LYS 25 Cb -0.38 -2.41 -0.04 0.00 -2.06 0.00 0.00 37.83 32.93 1i55 s LYS 25 CO 0.40 0.11 0.83 -1.01 0.10 0.00 0.00 175.35 175.78 1i55 s HIS 26 N -1.97 3.67 0.00 1.78 3.76 -1.26 -4.35 115.29 116.91 1i55 s HIS 26 Ca 0.56 1.49 0.00 0.00 -0.15 0.00 0.00 55.06 56.96 1i55 s HIS 26 Cb -0.12 -2.93 0.00 0.00 1.11 0.00 0.00 32.58 30.65 1i55 s HIS 26 CO 0.17 0.12 0.00 1.63 -0.85 0.00 0.00 174.74 175.80 1i55 n LYS 27 N 3.47 0.00 -0.10 1.40 5.02 -1.26 -4.93 118.16 121.76 1i55 n LYS 27 Ca 0.01 0.00 -0.13 0.00 -2.02 0.00 0.00 58.31 56.17 1i55 n LYS 27 Cb 0.51 0.00 -0.04 0.00 -0.02 0.00 0.00 35.03 35.48 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 1.30 -1.39 -0.18 2.07 -1.80 -3.45 116.25 112.80 1i55 h VAL 28 Ca 0.00 -1.44 -0.49 0.00 0.82 0.00 0.00 66.70 65.59 1i55 h VAL 28 Cb 0.00 1.54 -0.02 0.00 -1.52 0.00 0.00 31.29 31.29 1i55 h VAL 28 CO 0.00 0.46 -0.34 -0.83 0.02 0.00 0.00 177.57 176.88 1i55 s GLY 29 N -3.66 2.12 0.55 2.17 0.00 0.53 -5.07 107.32 103.96 1i55 s GLY 29 Ca -0.12 -1.83 -0.18 0.00 0.00 0.00 0.00 44.72 42.60 1i55 s GLY 29 CO 0.83 -1.69 1.06 2.56 0.00 0.00 0.00 173.10 175.85 1i55 s PRO 30 N -4.20 3.47 0.45 2.90 0.04 -1.26 -4.63 135.00 131.77 1i55 s PRO 30 Ca 0.48 1.29 -0.25 0.00 0.04 0.00 0.00 61.00 62.57 1i55 s PRO 30 Cb -0.04 -2.05 -0.08 0.00 0.04 0.00 0.00 34.50 32.37 1i55 s PRO 30 CO 0.28 -0.69 1.33 1.21 0.04 0.00 0.00 177.00 179.17 1i55 s ASN 31 N -2.44 5.98 0.00 6.66 3.84 -1.26 -4.44 114.94 123.29 1i55 s ASN 31 Ca 0.66 2.71 0.24 0.00 0.21 0.00 0.00 52.86 56.67 1i55 s ASN 31 Cb -0.17 -2.64 0.38 0.00 -0.55 0.00 0.00 41.25 38.28 1i55 s ASN 31 CO 0.30 -1.08 1.37 0.18 -2.79 0.00 0.00 177.10 175.08 1i55 n LEU 32 N -0.24 2.92 -4.68 3.21 4.77 -0.11 -4.87 117.00 117.99 1i55 n LEU 32 Ca 0.06 -1.08 -0.45 0.00 -0.03 0.00 0.00 56.01 54.50 1i55 n LEU 32 Cb 0.44 -0.08 -0.04 0.00 -2.33 0.00 0.00 43.42 41.41 1i55 n LEU 32 CO 0.55 0.54 1.25 1.87 -1.33 0.00 0.00 177.39 180.28 1i55 n TRP 33 N 1.22 2.38 -0.93 -1.77 -0.00 -1.19 -2.14 117.44 115.02 1i55 n TRP 33 Ca 0.16 0.19 0.00 0.00 -0.00 0.00 0.00 57.50 57.86 1i55 n TRP 33 Cb 0.56 -2.58 0.00 0.00 -0.00 0.00 0.00 31.31 29.29 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 3.60 0.51 0.14 5.87 0.00 -0.26 -4.98 105.19 110.07 1i55 n GLY 34 Ca 0.17 -0.25 -0.06 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.07 -9.72 0.99 5.85 -1.66 -3.40 115.31 107.30 1i55 h LEU 35 Ca 0.00 0.06 -0.53 0.00 0.84 0.00 0.00 57.88 58.26 1i55 h LEU 35 Cb 0.00 0.10 0.06 0.00 0.37 0.00 0.00 40.66 41.19 1i55 h LEU 35 CO 0.00 -0.00 0.78 -0.36 -0.34 0.00 0.00 178.44 178.52 1i55 s PHE 36 N -6.18 3.02 0.00 1.25 0.08 -1.26 -2.55 117.98 112.34 1i55 s PHE 36 Ca -0.13 0.95 0.00 0.00 0.12 0.00 0.00 56.93 57.87 1i55 s PHE 36 Cb 0.12 -3.84 0.00 0.00 -0.57 0.00 0.00 43.02 38.73 1i55 s PHE 36 CO 0.70 -2.82 0.00 0.41 -0.10 0.00 0.00 175.22 173.41 1i55 n GLY 37 N 2.48 1.02 3.60 4.36 0.00 0.61 -5.00 105.19 112.26 1i55 n GLY 37 Ca 0.08 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.05 2.43 0.87 1.61 3.52 -1.06 -4.86 118.95 121.41 1i55 s ARG 38 Ca 0.00 -0.82 -0.11 0.00 -0.13 0.00 0.00 55.73 54.66 1i55 s ARG 38 Cb 0.00 -2.45 0.11 0.00 -1.56 0.00 0.00 34.95 31.05 1i55 s ARG 38 CO 0.00 0.57 1.09 0.15 -0.81 0.00 0.00 175.30 176.30 1i55 s LYS 39 N -1.77 1.51 0.52 5.12 1.02 -1.26 -1.34 119.74 123.53 1i55 s LYS 39 Ca 0.20 0.87 -0.23 0.00 0.02 0.00 0.00 55.97 56.83 1i55 s LYS 39 Cb -0.11 -1.83 -0.06 0.00 -0.52 0.00 0.00 37.83 35.31 1i55 s LYS 39 CO 0.11 -2.08 1.37 0.95 -0.92 0.00 0.00 175.35 174.78 1i55 s THR 40 N -2.94 2.10 -1.24 2.17 -4.23 -0.76 -3.79 115.64 106.95 1i55 s THR 40 Ca 0.63 0.08 -0.01 0.00 -1.18 0.00 0.00 61.69 61.21 1i55 s THR 40 Cb -0.18 -3.04 0.00 0.00 1.34 0.00 0.00 72.50 70.63 1i55 s THR 40 CO 0.57 0.00 0.96 0.61 -0.54 0.00 0.00 174.62 176.22 1i55 n GLY 41 N 0.68 -0.37 0.18 3.99 0.00 -1.26 -4.63 105.19 103.79 1i55 n GLY 41 Ca 0.09 0.12 0.02 0.00 0.00 0.00 0.00 46.02 46.24 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 -4.24 2.31 -1.99 1.61 1.13 -1.25 -4.85 117.38 110.10 1i55 n GLN 42 Ca -0.26 -1.49 -0.42 0.00 -1.94 0.00 0.00 57.00 52.89 1i55 n GLN 42 Cb 0.66 -1.08 -0.03 0.00 0.11 0.00 0.00 30.24 29.90 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 -0.87 3.72 0.18 -1.58 0.00 -1.26 -4.91 121.76 117.04 1i55 s ALA 43 Ca 0.06 1.28 -0.32 0.00 0.00 0.00 0.00 51.96 52.98 1i55 s ALA 43 Cb 0.03 -3.61 -0.11 0.00 0.00 0.00 0.00 23.12 19.43 1i55 s ALA 43 CO 0.05 -0.80 1.67 -2.00 0.00 0.00 0.00 175.76 174.67 1i55 s GLU 44 N 1.41 4.16 0.00 0.00 2.12 -1.26 -3.06 118.70 122.07 1i55 s GLU 44 Ca 0.69 2.50 0.00 0.00 0.36 0.00 0.00 54.97 58.53 1i55 s GLU 44 Cb -0.41 -3.15 0.00 0.00 0.26 0.00 0.00 34.13 30.83 1i55 s GLU 44 CO 0.31 -0.70 0.00 0.41 -0.54 0.00 0.00 175.26 174.74 1i55 n GLY 45 N 3.91 0.79 3.80 -1.50 0.00 -1.26 -5.02 105.19 105.91 1i55 n GLY 45 Ca 0.15 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.80 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 -3.33 3.61 -0.85 1.61 5.04 -1.17 -5.03 117.35 117.23 1i55 s TYR 46 Ca 0.00 0.82 -0.20 0.00 -2.44 0.00 0.00 57.07 55.25 1i55 s TYR 46 Cb 0.00 -2.30 0.11 0.00 0.35 0.00 0.00 41.96 40.12 1i55 s TYR 46 CO 0.00 0.48 1.09 -1.12 -1.34 0.00 0.00 175.55 174.67 1i55 s SER 47 N -0.43 6.48 0.60 4.32 0.01 -1.26 -4.94 113.70 118.48 1i55 s SER 47 Ca 0.21 -1.68 -0.08 0.00 1.31 0.00 0.00 55.95 55.71 1i55 s SER 47 Cb -0.15 -2.41 -0.00 0.00 0.21 0.00 0.00 66.02 63.66 1i55 s SER 47 CO 0.09 -1.21 0.94 -0.31 0.41 0.00 0.00 173.24 173.17 1i55 s TYR 48 N 3.25 3.36 0.81 2.43 2.02 -1.26 -5.07 117.35 122.89 1i55 s TYR 48 Ca 0.30 0.84 -0.12 0.00 -0.37 0.00 0.00 57.07 57.72 1i55 s TYR 48 Cb -0.08 -2.74 0.08 0.00 -0.40 0.00 0.00 41.96 38.81 1i55 s TYR 48 CO -0.03 -0.81 1.10 0.95 -1.57 0.00 0.00 175.55 175.19 1i55 s THR 49 N -3.06 2.97 0.33 -0.71 -4.23 -1.26 -4.90 115.64 104.79 1i55 s THR 49 Ca 0.54 0.31 0.04 0.00 -1.18 0.00 0.00 61.69 61.41 1i55 s THR 49 Cb -0.11 -3.05 0.15 0.00 1.34 0.00 0.00 72.50 70.83 1i55 s THR 49 CO 0.48 -0.41 1.86 0.44 -0.54 0.00 0.00 174.62 176.44 1i55 h ASP 50 N -1.14 0.47 -0.01 3.99 3.32 -1.98 -2.63 116.42 118.44 1i55 h ASP 50 Ca -0.47 -0.10 -0.00 0.00 0.02 0.00 0.00 57.03 56.48 1i55 h ASP 50 Cb 1.27 -0.12 -0.00 0.00 0.22 0.00 0.00 39.33 40.70 1i55 h ASP 50 CO 0.59 0.57 0.01 0.00 -1.72 0.00 0.00 179.24 178.69 1i55 h ALA 51 N 1.49 0.01 -0.41 3.45 0.00 -1.87 0.29 119.26 122.22 1i55 h ALA 51 Ca 0.10 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 1i55 h ALA 51 Cb 0.38 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 1i55 h ALA 51 CO 0.02 -0.46 0.19 -0.97 0.00 0.00 0.00 179.25 178.03 1i55 h ASN 52 N -0.04 0.54 -0.36 0.00 -0.00 -1.88 -1.89 115.58 111.95 1i55 h ASN 52 Ca 0.00 -0.13 -0.05 0.00 -0.00 0.00 0.00 56.30 56.12 1i55 h ASN 52 Cb 0.06 -0.14 -0.02 0.00 -0.00 0.00 0.00 38.32 38.22 1i55 h ASN 52 CO -0.00 0.52 0.05 0.11 -0.00 0.00 0.00 177.43 178.12 1i55 h LYS 53 N 0.52 0.69 0.00 6.67 1.57 -1.22 -3.16 116.57 121.64 1i55 h LYS 53 Ca 0.14 -0.15 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1i55 h LYS 53 Cb 0.13 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.34 1i55 h LYS 53 CO -0.02 0.67 -0.43 0.77 -0.57 0.00 0.00 179.45 179.87 1i55 h SER 54 N 0.66 0.00 -0.98 0.86 0.02 -0.16 -3.37 113.55 110.58 1i55 h SER 54 Ca 0.14 -0.13 0.32 0.00 -0.84 0.00 0.00 61.79 61.28 1i55 h SER 54 Cb 0.33 0.00 -0.15 0.00 0.14 0.00 0.00 62.40 62.72 1i55 h SER 54 CO 0.01 0.06 0.46 0.50 -1.14 0.00 0.00 176.83 176.72 1i55 h LYS 55 N 0.00 0.22 0.00 3.45 1.63 -1.31 -3.45 116.57 117.11 1i55 h LYS 55 Ca 0.00 -0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.79 1i55 h LYS 55 Cb 0.77 -0.05 0.00 0.00 -0.60 0.00 0.00 32.23 32.35 1i55 h LYS 55 CO 0.00 0.15 0.00 0.41 -3.45 0.00 0.00 179.45 176.56 1i55 n GLY 56 N -1.32 0.53 3.94 5.01 0.00 -1.26 -5.02 105.19 107.07 1i55 n GLY 56 Ca 0.30 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.08 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 -2.47 4.20 -0.19 -0.61 -5.25 -1.26 -4.88 121.20 110.74 1i55 s ILE 57 Ca 0.00 -0.28 -0.12 0.00 -0.99 0.00 0.00 60.65 59.26 1i55 s ILE 57 Cb 0.00 -3.58 -0.05 0.00 2.95 0.00 0.00 42.46 41.78 1i55 s ILE 57 CO 0.00 -0.47 0.21 -0.69 -1.79 0.00 0.00 174.94 172.20 1i55 s VAL 58 N -2.65 5.35 0.02 8.37 1.01 -1.26 -1.83 120.40 129.41 1i55 s VAL 58 Ca 0.48 0.35 -0.30 0.00 0.00 0.00 0.00 61.98 62.51 1i55 s VAL 58 Cb -0.10 -3.55 -0.05 0.00 0.00 0.00 0.00 36.38 32.68 1i55 s VAL 58 CO 0.40 0.39 1.25 0.26 0.00 0.00 0.00 175.10 177.40 1i55 s TRP 59 N 0.58 3.25 0.00 5.22 0.23 -0.45 -4.73 118.94 123.04 1i55 s TRP 59 Ca 0.12 1.17 -0.00 0.00 -2.03 0.00 0.00 56.10 55.35 1i55 s TRP 59 Cb -0.12 -3.48 0.00 0.00 0.03 0.00 0.00 33.47 29.90 1i55 s TRP 59 CO 0.02 -1.56 0.01 0.27 0.96 0.00 0.00 176.95 176.64 1i55 n ASN 60 N 4.56 -0.02 -0.04 2.95 0.23 -1.26 -0.29 115.26 121.39 1i55 n ASN 60 Ca 0.10 -1.01 -0.08 0.00 -0.53 0.00 0.00 54.58 53.06 1i55 n ASN 60 Cb 0.46 0.03 -0.02 0.00 -2.08 0.00 0.00 39.78 38.17 1i55 n ASN 60 CO 0.00 0.00 0.00 -1.13 -0.93 0.00 0.00 177.26 175.20 1i55 h ASN 61 N 0.02 -0.42 -0.43 0.53 -1.24 -1.98 -0.78 115.58 111.27 1i55 h ASN 61 Ca -0.00 0.09 -0.09 0.00 0.71 0.00 0.00 56.30 57.01 1i55 h ASN 61 Cb 0.01 0.22 -0.01 0.00 0.73 0.00 0.00 38.32 39.27 1i55 h ASN 61 CO 0.00 -0.17 -0.09 -2.24 -1.29 0.00 0.00 177.43 173.65 1i55 h ASP 62 N -0.12 0.82 0.21 1.15 2.03 -1.97 -1.63 116.42 116.91 1i55 h ASP 62 Ca 0.12 -0.35 -0.20 0.00 -0.73 0.00 0.00 57.03 55.86 1i55 h ASP 62 Cb 0.30 -0.22 -0.00 0.00 -0.83 0.00 0.00 39.33 38.57 1i55 h ASP 62 CO -0.28 0.99 -0.80 0.71 -1.03 0.00 0.00 179.24 178.83 1i55 h THR 63 N 0.65 1.37 -0.36 1.15 1.35 -1.83 -2.85 112.91 112.38 1i55 h THR 63 Ca 0.11 -2.19 -0.12 0.00 -0.55 0.00 0.00 66.41 63.66 1i55 h THR 63 Cb 0.62 2.17 -0.01 0.00 -1.73 0.00 0.00 68.15 69.19 1i55 h THR 63 CO 0.04 0.66 -0.28 -0.07 -0.25 0.00 0.00 175.52 175.62 1i55 h LEU 64 N 0.31 0.78 -0.68 3.87 3.38 -1.14 -0.70 115.31 121.13 1i55 h LEU 64 Ca -0.05 -0.30 -0.04 0.00 0.09 0.00 0.00 57.88 57.58 1i55 h LEU 64 Cb 1.40 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.90 1i55 h LEU 64 CO 0.14 1.01 0.26 0.24 0.09 0.00 0.00 178.44 180.19 1i55 h MET 65 N 0.65 1.02 -0.01 1.13 2.86 -1.29 -0.85 114.93 118.45 1i55 h MET 65 Ca 0.08 -0.19 -0.00 0.00 -2.06 0.00 0.00 59.70 57.52 1i55 h MET 65 Cb 0.80 -0.16 -0.00 0.00 0.06 0.00 0.00 31.60 32.30 1i55 h MET 65 CO 0.07 0.86 -0.01 1.49 1.06 0.00 0.00 176.91 180.38 1i55 h GLU 66 N 0.97 0.02 -0.01 1.72 4.81 -1.37 -3.19 114.58 117.52 1i55 h GLU 66 Ca 0.23 -0.01 0.03 0.00 -0.13 0.00 0.00 59.36 59.48 1i55 h GLU 66 Cb 0.22 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 29.56 1i55 h GLU 66 CO -0.02 0.55 -0.27 -0.92 -0.73 0.00 0.00 179.01 177.62 1i55 h TYR 67 N -0.51 -0.74 0.00 0.92 5.03 -1.06 -2.56 116.97 118.05 1i55 h TYR 67 Ca 0.00 0.03 0.00 0.00 2.58 0.00 0.00 58.73 61.34 1i55 h TYR 67 Cb 0.55 0.33 0.00 0.00 1.55 0.00 0.00 36.73 39.16 1i55 h TYR 67 CO 0.11 -0.37 0.00 -0.07 -1.32 0.00 0.00 178.16 176.52 1i55 h LEU 68 N -0.41 0.00 -0.15 2.82 3.38 -1.25 -1.07 115.31 118.63 1i55 h LEU 68 Ca 0.07 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.80 1i55 h LEU 68 Cb 0.50 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.26 1i55 h LEU 68 CO -0.25 0.00 -0.96 -0.08 0.09 0.00 0.00 178.44 177.24 1i55 h GLU 69 N 0.00 0.43 -1.12 1.13 4.81 -1.44 0.21 114.58 118.61 1i55 h GLU 69 Ca 0.00 -0.47 -0.13 0.00 -0.13 0.00 0.00 59.36 58.63 1i55 h GLU 69 Cb 0.05 0.14 -0.20 0.00 0.63 0.00 0.00 28.75 29.36 1i55 h GLU 69 CO 0.00 1.13 -0.50 1.21 -0.73 0.00 0.00 179.01 180.12 1i55 s ASN 70 N -7.10 -1.20 0.17 1.04 3.84 -0.81 -4.14 114.94 106.75 1i55 s ASN 70 Ca -0.06 -1.18 -0.21 0.00 0.21 0.00 0.00 52.86 51.62 1i55 s ASN 70 Cb 0.09 1.76 0.09 0.00 -0.55 0.00 0.00 41.25 42.64 1i55 s ASN 70 CO 0.87 -0.14 1.60 -0.65 -2.79 0.00 0.00 177.10 175.99 1i55 h PRO 71 N 6.41 -0.20 0.00 0.43 0.11 -1.43 -2.49 132.00 134.83 1i55 h PRO 71 Ca 0.06 0.01 -0.04 0.00 0.11 0.00 0.00 66.00 66.14 1i55 h PRO 71 Cb 1.14 0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.29 1i55 h PRO 71 CO 0.09 -0.13 -0.18 1.57 -0.21 0.00 0.00 178.00 179.14 1i55 h LYS 72 N -0.20 0.00 -0.22 1.05 2.10 -1.84 -0.19 116.57 117.27 1i55 h LYS 72 Ca 0.20 0.00 -0.15 0.00 -2.00 0.00 0.00 60.65 58.69 1i55 h LYS 72 Cb 0.52 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.85 1i55 h LYS 72 CO -0.56 0.18 -0.46 -0.22 -2.00 0.00 0.00 179.45 176.38 1i55 h LYS 73 N 0.00 0.70 -0.05 0.07 3.64 -1.83 -1.99 116.57 117.11 1i55 h LYS 73 Ca -0.00 -0.46 -0.22 0.00 -1.27 0.00 0.00 60.65 58.69 1i55 h LYS 73 Cb 0.35 0.06 0.01 0.00 -0.41 0.00 0.00 32.23 32.23 1i55 h LYS 73 CO 0.02 1.08 -0.88 -0.92 -2.27 0.00 0.00 179.45 176.49 1i55 h TYR 74 N 0.41 0.79 -2.50 1.91 3.20 -1.16 -3.38 116.97 116.25 1i55 h TYR 74 Ca 0.00 -0.39 -0.60 0.00 3.14 0.00 0.00 58.73 60.89 1i55 h TYR 74 Cb 1.07 -0.10 -0.40 0.00 1.54 0.00 0.00 36.73 38.83 1i55 h TYR 74 CO 0.09 1.20 -0.81 -0.89 -1.64 0.00 0.00 178.16 176.11 1i55 n ILE 75 N -3.83 0.37 -1.70 1.81 5.41 -0.11 -5.08 119.36 116.23 1i55 n ILE 75 Ca -0.07 -4.28 -0.43 0.00 1.00 0.00 0.00 62.75 58.96 1i55 n ILE 75 Cb 0.80 -1.95 -0.03 0.00 -0.71 0.00 0.00 39.64 37.74 1i55 n ILE 75 CO 0.00 0.00 0.00 -0.81 0.00 0.00 0.00 176.55 175.74 1i55 n PRO 76 N 1.97 2.57 -0.09 0.38 -0.04 -0.75 -1.70 135.00 137.35 1i55 n PRO 76 Ca 0.25 0.93 0.00 0.00 -0.04 0.00 0.00 63.50 64.64 1i55 n PRO 76 Cb 0.44 -2.75 0.00 0.00 -0.04 0.00 0.00 33.50 31.15 1i55 n PRO 76 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1i55 n GLY 77 N 3.74 0.51 3.75 0.55 0.00 -1.26 -4.82 105.19 107.66 1i55 n GLY 77 Ca 0.16 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.21 2.54 -2.33 2.61 -1.32 -0.69 -4.80 115.64 109.44 1i55 s THR 78 Ca 0.00 0.33 0.21 0.00 -1.21 0.00 0.00 61.69 61.02 1i55 s THR 78 Cb 0.00 -3.10 0.44 0.00 -1.51 0.00 0.00 72.50 68.33 1i55 s THR 78 CO 0.00 -0.08 1.46 2.29 -2.21 0.00 0.00 174.62 176.08 1i55 n LYS 79 N -1.74 2.12 -2.57 7.08 2.85 -1.26 -4.78 118.16 119.86 1i55 n LYS 79 Ca 0.14 -1.69 -0.42 0.00 -1.05 0.00 0.00 58.31 55.29 1i55 n LYS 79 Cb 0.49 -1.44 -0.02 0.00 -0.65 0.00 0.00 35.03 33.41 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 -1.61 3.49 -0.95 -1.58 1.75 -1.26 -4.94 119.30 114.21 1i55 s MET 80 Ca 0.35 0.25 -0.14 0.00 -1.25 0.00 0.00 55.69 54.90 1i55 s MET 80 Cb 0.20 -4.03 0.21 0.00 2.84 0.00 0.00 34.83 34.05 1i55 s MET 80 CO 0.28 -1.71 0.98 0.42 -0.65 0.00 0.00 175.02 174.34 1i55 s ILE 81 N 5.05 5.45 -0.13 10.11 -1.09 -1.26 -4.76 121.20 134.57 1i55 s ILE 81 Ca 0.43 -2.50 -0.06 0.00 -2.23 0.00 0.00 60.65 56.29 1i55 s ILE 81 Cb -0.08 -4.61 0.05 0.00 -1.58 0.00 0.00 42.46 36.25 1i55 s ILE 81 CO 0.25 -1.22 0.29 0.12 -1.23 0.00 0.00 174.94 173.15 1i55 s PHE 82 N 0.54 -0.42 0.42 3.97 2.19 -1.26 -5.06 117.98 118.35 1i55 s PHE 82 Ca 0.26 0.96 0.11 0.00 0.33 0.00 0.00 56.93 58.59 1i55 s PHE 82 Cb -0.08 0.10 0.89 0.00 -1.31 0.00 0.00 43.02 42.62 1i55 s PHE 82 CO -0.08 -0.28 1.98 0.00 1.83 0.00 0.00 175.22 178.67 1i55 h ALA 83 N 7.35 1.64 0.00 11.12 0.00 -1.96 -3.40 119.26 134.01 1i55 h ALA 83 Ca -0.36 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1i55 h ALA 83 Cb 1.16 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.87 1i55 h ALA 83 CO 0.32 0.27 0.00 0.41 0.00 0.00 0.00 179.25 180.25 1i55 n GLY 84 N -1.10 2.70 3.47 0.00 0.00 -1.26 -4.41 105.19 104.58 1i55 n GLY 84 Ca -0.01 -1.99 -0.43 0.00 0.00 0.00 0.00 46.02 43.59 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 -2.75 5.04 0.16 -0.61 -1.09 0.75 -4.96 121.20 117.74 1i55 s ILE 85 Ca 0.00 -0.43 -0.06 0.00 -2.23 0.00 0.00 60.65 57.94 1i55 s ILE 85 Cb 0.00 -4.11 -0.09 0.00 -1.58 0.00 0.00 42.46 36.67 1i55 s ILE 85 CO 0.00 -0.53 1.43 0.11 -1.23 0.00 0.00 174.94 174.72 1i55 h LYS 86 N 8.80 0.60 -6.35 2.79 1.79 -1.85 -3.37 116.57 118.98 1i55 h LYS 86 Ca -0.27 -0.43 -0.55 0.00 -2.18 0.00 0.00 60.65 57.22 1i55 h LYS 86 Cb 1.11 0.07 -0.02 0.00 -1.58 0.00 0.00 32.23 31.81 1i55 h LYS 86 CO 0.85 1.05 0.59 0.15 -1.08 0.00 0.00 179.45 181.01 1i55 s LYS 87 N -3.85 4.41 0.20 3.15 1.02 -1.26 -4.95 119.74 118.46 1i55 s LYS 87 Ca -0.08 1.60 -0.11 0.00 0.02 0.00 0.00 55.97 57.40 1i55 s LYS 87 Cb 0.10 -3.50 0.13 0.00 -0.52 0.00 0.00 37.83 34.04 1i55 s LYS 87 CO 0.86 -0.32 1.81 -0.22 -0.92 0.00 0.00 175.35 176.56 1i55 h LYS 88 N 7.15 0.98 -0.76 1.68 3.64 -1.99 -1.69 116.57 125.58 1i55 h LYS 88 Ca -0.36 -0.12 -0.02 0.00 -1.27 0.00 0.00 60.65 58.88 1i55 h LYS 88 Cb 1.18 -0.19 -0.04 0.00 -0.41 0.00 0.00 32.23 32.77 1i55 h LYS 88 CO 0.84 0.73 0.39 0.78 -2.27 0.00 0.00 179.45 179.93 1i55 h GLY 89 N 0.96 1.15 1.32 5.01 0.00 -1.98 0.75 103.07 110.29 1i55 h GLY 89 Ca 0.25 -0.55 -0.11 0.00 0.00 0.00 0.00 47.33 46.92 1i55 h GLY 89 CO -0.04 0.52 -0.19 -2.09 0.00 0.00 0.00 176.54 174.74 1i55 h GLU 90 N 1.06 0.78 -0.43 4.80 4.81 -1.93 -2.18 114.58 121.50 1i55 h GLU 90 Ca 0.26 -0.30 -0.07 0.00 -0.13 0.00 0.00 59.36 59.12 1i55 h GLU 90 Cb 0.08 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.40 1i55 h GLU 90 CO -0.04 0.91 -0.01 -0.09 -0.73 0.00 0.00 179.01 179.05 1i55 h ARG 91 N 0.69 0.77 -0.75 1.92 2.43 -0.84 -1.72 114.38 116.87 1i55 h ARG 91 Ca 0.10 -0.25 -0.04 0.00 -0.81 0.00 0.00 59.98 58.97 1i55 h ARG 91 Cb 0.70 -0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 30.15 1i55 h ARG 91 CO 0.05 0.85 0.29 0.37 -1.51 0.00 0.00 179.97 180.02 1i55 h GLN 92 N 0.60 1.12 -0.41 0.20 5.75 -0.68 -0.77 115.11 120.93 1i55 h GLN 92 Ca 0.12 -0.21 -0.10 0.00 -0.15 0.00 0.00 58.65 58.31 1i55 h GLN 92 Cb 0.51 -0.18 -0.02 0.00 1.07 0.00 0.00 27.48 28.86 1i55 h GLN 92 CO 0.02 0.92 -0.15 -0.44 -2.65 0.00 0.00 178.83 176.53 1i55 h ASP 93 N 1.08 0.76 -0.43 -0.69 3.32 -1.27 -1.35 116.42 117.84 1i55 h ASP 93 Ca 0.25 -0.24 -0.05 0.00 0.02 0.00 0.00 57.03 57.00 1i55 h ASP 93 Cb 0.22 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.55 1i55 h ASP 93 CO -0.02 0.92 0.06 0.25 -1.72 0.00 0.00 179.24 178.73 1i55 h LEU 94 N 0.68 0.68 -0.86 1.55 5.85 -0.86 -1.90 115.31 120.46 1i55 h LEU 94 Ca 0.11 -0.27 -0.02 0.00 0.84 0.00 0.00 57.88 58.54 1i55 h LEU 94 Cb 0.64 -0.18 -0.04 0.00 0.37 0.00 0.00 40.66 41.45 1i55 h LEU 94 CO 0.04 0.78 0.46 0.58 -0.34 0.00 0.00 178.44 179.96 1i55 h VAL 95 N 0.57 1.25 -0.77 1.05 2.07 -0.96 0.12 116.25 119.59 1i55 h VAL 95 Ca 0.13 -0.65 0.02 0.00 0.82 0.00 0.00 66.70 67.02 1i55 h VAL 95 Cb 0.39 0.11 -0.04 0.00 -1.52 0.00 0.00 31.29 30.23 1i55 h VAL 95 CO 0.01 0.29 0.50 0.00 0.02 0.00 0.00 177.57 178.39 1i55 h ALA 96 N 1.25 0.99 -0.30 1.67 0.00 -0.97 0.05 119.26 121.94 1i55 h ALA 96 Ca 0.30 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 55.10 1i55 h ALA 96 Cb 0.05 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 1i55 h ALA 96 CO -0.05 0.34 -0.06 -0.92 0.00 0.00 0.00 179.25 178.56 1i55 h TYR 97 N 1.00 0.65 -0.59 0.00 3.20 -0.81 -2.55 116.97 117.86 1i55 h TYR 97 Ca 0.29 -0.14 0.07 0.00 3.14 0.00 0.00 58.73 62.09 1i55 h TYR 97 Cb -0.06 -0.16 -0.06 0.00 1.54 0.00 0.00 36.73 38.00 1i55 h TYR 97 CO -0.03 0.76 0.29 -0.07 -1.64 0.00 0.00 178.16 177.47 1i55 h LEU 98 N 0.35 0.39 -0.76 2.82 4.07 -0.43 0.20 115.31 121.95 1i55 h LEU 98 Ca 0.08 0.04 -0.02 0.00 0.08 0.00 0.00 57.88 58.06 1i55 h LEU 98 Cb 0.54 -0.02 -0.03 0.00 1.08 0.00 0.00 40.66 42.22 1i55 h LEU 98 CO 0.03 0.25 0.38 0.50 -1.08 0.00 0.00 178.44 178.52 1i55 h LYS 99 N 0.53 1.08 -0.07 1.13 3.64 -0.92 -1.70 116.57 120.26 1i55 h LYS 99 Ca 0.28 -0.15 -0.22 0.00 -1.27 0.00 0.00 60.65 59.29 1i55 h LYS 99 Cb 0.23 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 31.86 1i55 h LYS 99 CO -0.21 0.83 -0.83 0.66 -2.27 0.00 0.00 179.45 177.63 1i55 h SER 100 N 1.06 0.69 0.95 4.20 4.64 -0.97 -3.32 113.55 120.80 1i55 h SER 100 Ca 0.26 -0.49 0.00 0.00 -0.47 0.00 0.00 61.79 61.10 1i55 h SER 100 Cb 0.10 -0.21 0.00 0.00 -0.31 0.00 0.00 62.40 61.98 1i55 h SER 100 CO -0.04 1.27 -0.34 0.00 -0.87 0.00 0.00 176.83 176.85 1i55 n ALA 101 N -2.56 2.80 -0.82 5.18 0.00 0.64 -4.05 120.51 121.69 1i55 n ALA 101 Ca -0.07 -0.19 0.08 0.00 0.00 0.00 0.00 53.44 53.26 1i55 n ALA 101 Cb 0.77 -1.28 0.33 0.00 0.00 0.00 0.00 19.45 19.26 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 -1.89 2.27 -1.60 0.00 -2.24 -0.65 -4.46 114.28 105.71 1i55 n THR 102 Ca 0.05 -1.50 0.00 0.00 -2.27 0.00 0.00 64.05 60.33 1i55 n THR 102 Cb 0.40 -0.12 0.00 0.00 -2.10 0.00 0.00 70.33 68.50 1i55 n THR 102 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96