#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3nbt s ASP 2 N 0.00 6.17 0.25 1.61 -1.08 -1.26 -4.90 116.67 117.46 3nbt s ASP 2 Ca 0.00 -0.75 -0.04 0.00 -0.52 0.00 0.00 52.55 51.24 3nbt s ASP 2 Cb 0.00 -2.48 0.36 0.00 -1.46 0.00 0.00 42.92 39.34 3nbt s ASP 2 CO 0.00 -1.60 1.86 0.58 0.52 0.00 0.00 175.17 176.53 3nbt h VAL 3 N 6.00 1.05 -0.54 1.11 2.07 -2.05 0.21 116.25 124.10 3nbt h VAL 3 Ca -0.28 -0.36 -0.01 0.00 0.82 0.00 0.00 66.70 66.87 3nbt h VAL 3 Cb 1.06 -0.08 -0.03 0.00 -1.52 0.00 0.00 31.29 30.73 3nbt h VAL 3 CO 1.22 0.19 0.31 -0.08 0.02 0.00 0.00 177.57 179.23 3nbt h GLU 4 N 1.04 0.75 -0.40 1.57 4.57 -2.00 0.29 114.58 120.39 3nbt h GLU 4 Ca 0.40 -0.08 -0.14 0.00 -1.18 0.00 0.00 59.36 58.35 3nbt h GLU 4 Cb 0.18 -0.15 -0.01 0.00 -0.16 0.00 0.00 28.75 28.61 3nbt h GLU 4 CO -0.18 0.56 -0.32 0.87 -1.18 0.00 0.00 179.01 178.77 3nbt h LYS 5 N 0.73 0.91 -1.00 1.92 1.57 -1.87 -2.90 116.57 115.92 3nbt h LYS 5 Ca 0.19 -0.44 0.08 0.00 -1.87 0.00 0.00 60.65 58.61 3nbt h LYS 5 Cb 0.02 -0.01 -0.07 0.00 0.08 0.00 0.00 32.23 32.26 3nbt h LYS 5 CO -0.03 1.09 0.64 0.78 -0.57 0.00 0.00 179.45 181.36 3nbt h GLY 6 N 0.86 1.53 1.26 3.86 0.00 0.29 -0.83 103.07 110.04 3nbt h GLY 6 Ca 0.08 -0.46 -0.06 0.00 0.00 0.00 0.00 47.33 46.89 3nbt h GLY 6 CO 0.08 0.30 0.14 1.70 0.00 0.00 0.00 176.54 178.76 3nbt h LYS 7 N 1.13 0.92 -0.51 4.80 3.64 -0.27 -1.58 116.57 124.70 3nbt h LYS 7 Ca 0.44 -0.20 -0.10 0.00 -1.27 0.00 0.00 60.65 59.53 3nbt h LYS 7 Cb 0.23 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 31.90 3nbt h LYS 7 CO -0.19 0.83 -0.06 0.87 -2.27 0.00 0.00 179.45 178.63 3nbt h LYS 8 N 0.88 0.94 -0.29 1.90 1.57 -1.08 -1.54 116.57 118.94 3nbt h LYS 8 Ca 0.19 -0.33 -0.01 0.00 -1.87 0.00 0.00 60.65 58.64 3nbt h LYS 8 Cb 0.32 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.55 3nbt h LYS 8 CO 0.00 0.98 0.16 0.82 -0.57 0.00 0.00 179.45 180.84 3nbt h ILE 9 N 0.80 1.13 -0.77 1.86 2.04 -0.84 -2.55 117.51 119.18 3nbt h ILE 9 Ca 0.14 -0.34 -0.00 0.00 1.00 0.00 0.00 64.86 65.65 3nbt h ILE 9 Cb 0.60 0.82 -0.04 0.00 -0.74 0.00 0.00 36.82 37.46 3nbt h ILE 9 CO 0.04 0.13 0.47 0.15 0.00 0.00 0.00 178.15 178.93 3nbt h PHE 10 N 0.35 1.00 -0.68 1.37 3.57 -1.16 -0.64 116.94 120.76 3nbt h PHE 10 Ca 0.10 0.00 -0.07 0.00 3.53 0.00 0.00 57.97 61.54 3nbt h PHE 10 Cb 0.07 -0.33 -0.03 0.00 2.79 0.00 0.00 35.95 38.45 3nbt h PHE 10 CO -0.03 0.66 0.17 0.28 -2.23 0.00 0.00 178.31 177.16 3nbt h VAL 11 N 1.05 1.26 0.13 1.41 2.07 -1.03 0.34 116.25 121.49 3nbt h VAL 11 Ca 0.28 -0.96 -0.29 0.00 0.82 0.00 0.00 66.70 66.55 3nbt h VAL 11 Cb -0.05 0.57 0.00 0.00 -1.52 0.00 0.00 31.29 30.29 3nbt h VAL 11 CO -0.05 0.37 -1.35 -0.61 0.02 0.00 0.00 177.57 175.94 3nbt h GLN 12 N 1.03 0.28 -0.00 1.57 4.15 -1.08 -3.38 115.11 117.68 3nbt h GLN 12 Ca 0.21 -0.48 0.00 0.00 0.77 0.00 0.00 58.65 59.15 3nbt h GLN 12 Cb 0.37 0.18 0.00 0.00 0.21 0.00 0.00 27.48 28.24 3nbt h GLN 12 CO 0.00 1.20 -0.20 1.63 -1.93 0.00 0.00 178.83 179.54 3nbt n LYS 13 N -3.52 3.97 0.00 1.69 5.02 -0.28 -4.86 118.16 120.18 3nbt n LYS 13 Ca -0.12 -0.20 0.00 0.00 -2.02 0.00 0.00 58.31 55.97 3nbt n LYS 13 Cb 1.04 -0.84 0.00 0.00 -0.02 0.00 0.00 35.03 35.21 3nbt n LYS 13 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3nbt h ALA 15 N 0.00 1.77 -0.10 0.00 0.00 -0.61 0.22 119.26 120.55 3nbt h ALA 15 Ca 0.00 0.21 0.03 0.00 0.00 0.00 0.00 54.91 55.15 3nbt h ALA 15 Cb 0.73 0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.75 3nbt h ALA 15 CO 0.00 -0.58 0.20 -0.56 0.00 0.00 0.00 179.25 178.31 3nbt h GLN 16 N 0.25 0.00 0.00 0.00 -0.00 -1.85 -3.09 115.11 110.43 3nbt h GLN 16 Ca 0.69 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 59.34 3nbt h GLN 16 Cb 1.57 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 29.05 3nbt h GLN 16 CO -0.65 0.00 -0.32 0.00 -0.00 0.00 0.00 178.83 177.86 3nbt s HIS 18 N -1.15 0.89 0.26 0.00 3.76 -0.52 -0.99 115.29 117.55 3nbt s HIS 18 Ca 0.00 -0.27 0.09 0.00 -0.15 0.00 0.00 55.06 54.74 3nbt s HIS 18 Cb 0.00 -0.55 -0.04 0.00 1.11 0.00 0.00 32.58 33.10 3nbt s HIS 18 CO 0.00 -0.01 0.02 0.95 -0.85 0.00 0.00 174.74 174.85 3nbt s THR 19 N -0.59 3.57 0.00 1.30 -4.23 -1.26 -4.27 115.64 110.15 3nbt s THR 19 Ca 0.01 -1.85 0.00 0.00 -1.18 0.00 0.00 61.69 58.67 3nbt s THR 19 Cb -0.06 -2.91 0.00 0.00 1.34 0.00 0.00 72.50 70.87 3nbt s THR 19 CO 0.00 -0.37 0.00 1.33 -0.54 0.00 0.00 174.62 175.04 3nbt n VAL 20 N -0.93 0.00 -1.84 2.29 0.24 -1.26 -0.45 118.33 116.38 3nbt n VAL 20 Ca -0.07 0.00 -0.37 0.00 -2.04 0.00 0.00 64.34 61.86 3nbt n VAL 20 Cb 0.59 -0.57 0.05 0.00 -1.47 0.00 0.00 33.84 32.44 3nbt n VAL 20 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 3nbt s GLU 21 N -1.92 2.82 0.27 7.34 8.01 -1.26 -3.29 118.70 130.66 3nbt s GLU 21 Ca 0.00 2.03 -0.30 0.00 0.01 0.00 0.00 54.97 56.71 3nbt s GLU 21 Cb 0.00 -1.97 -0.10 0.00 -4.31 0.00 0.00 34.13 27.75 3nbt s GLU 21 CO 0.00 -1.38 1.47 0.21 0.01 0.00 0.00 175.26 175.57 3nbt s LYS 22 N -3.25 4.23 0.00 1.61 2.20 -1.26 -0.29 119.74 122.98 3nbt s LYS 22 Ca 0.79 2.38 0.00 0.00 -0.36 0.00 0.00 55.97 58.77 3nbt s LYS 22 Cb -0.36 -3.08 0.00 0.00 -1.51 0.00 0.00 37.83 32.88 3nbt s LYS 22 CO 0.39 -0.47 0.00 0.41 -0.36 0.00 0.00 175.35 175.33 3nbt n GLY 23 N 2.08 1.06 3.72 5.54 0.00 -1.26 -5.01 105.19 111.32 3nbt n GLY 23 Ca 0.07 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.71 3nbt n GLY 23 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3nbt n GLY 24 N -2.00 0.51 3.83 -0.02 0.00 0.60 -4.98 105.19 103.14 3nbt n GLY 24 Ca 0.00 -0.11 -0.32 0.00 0.00 0.00 0.00 46.02 45.59 3nbt n GLY 24 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3nbt s LYS 25 N -3.19 3.56 0.08 1.61 -0.14 -1.26 -4.73 119.74 115.67 3nbt s LYS 25 Ca 0.79 1.00 -0.19 0.00 -1.36 0.00 0.00 55.97 56.21 3nbt s LYS 25 Cb -0.39 -2.07 -0.07 0.00 -1.68 0.00 0.00 37.83 33.62 3nbt s LYS 25 CO 0.43 -0.60 0.56 -1.01 -0.76 0.00 0.00 175.35 173.97 3nbt s HIS 26 N -2.72 3.79 0.00 3.18 3.76 -1.26 -4.09 115.29 117.94 3nbt s HIS 26 Ca 0.60 1.24 0.00 0.00 -0.15 0.00 0.00 55.06 56.75 3nbt s HIS 26 Cb -0.12 -2.48 0.00 0.00 1.11 0.00 0.00 32.58 31.09 3nbt s HIS 26 CO 0.40 0.58 0.00 1.63 -0.85 0.00 0.00 174.74 176.50 3nbt n LYS 27 N 1.64 0.50 -0.23 1.40 5.02 -1.26 -4.96 118.16 120.27 3nbt n LYS 27 Ca -0.10 0.00 -0.06 0.00 -2.02 0.00 0.00 58.31 56.13 3nbt n LYS 27 Cb 0.51 0.00 0.04 0.00 -0.02 0.00 0.00 35.03 35.56 3nbt n LYS 27 CO 0.00 0.00 0.00 1.15 -0.52 0.00 0.00 177.40 178.03 3nbt h THR 28 N 0.00 1.21 -1.37 -0.18 2.02 -1.84 -3.43 112.91 109.32 3nbt h THR 28 Ca 0.00 -0.54 -0.49 0.00 0.77 0.00 0.00 66.41 66.15 3nbt h THR 28 Cb 0.00 0.38 -0.02 0.00 -1.74 0.00 0.00 68.15 66.76 3nbt h THR 28 CO 0.00 0.23 -0.34 -0.83 0.37 0.00 0.00 175.52 174.95 3nbt s GLY 29 N -3.01 2.11 0.38 2.16 0.00 -0.16 -4.97 107.32 103.84 3nbt s GLY 29 Ca -0.13 -1.82 -0.19 0.00 0.00 0.00 0.00 44.72 42.58 3nbt s GLY 29 CO 0.78 -1.70 0.87 2.56 0.00 0.00 0.00 173.10 175.61 3nbt s PRO 30 N -4.21 4.16 0.39 2.90 0.04 -1.26 -4.67 135.00 132.35 3nbt s PRO 30 Ca 0.48 0.96 -0.27 0.00 0.04 0.00 0.00 61.00 62.22 3nbt s PRO 30 Cb -0.04 -2.31 -0.11 0.00 0.04 0.00 0.00 34.50 32.08 3nbt s PRO 30 CO 0.29 0.06 1.35 -1.71 0.04 0.00 0.00 177.00 177.02 3nbt n ASN 31 N -0.46 3.01 -1.40 6.66 2.85 -1.26 -4.45 115.26 120.22 3nbt n ASN 31 Ca 0.05 1.17 0.12 0.00 -0.11 0.00 0.00 54.58 55.81 3nbt n ASN 31 Cb 0.53 -1.54 0.33 0.00 1.24 0.00 0.00 39.78 40.35 3nbt n ASN 31 CO 0.00 0.00 0.00 0.18 -2.11 0.00 0.00 177.26 175.33 3nbt n LEU 32 N 0.38 4.09 -4.73 1.20 4.77 0.40 -4.91 117.00 118.20 3nbt n LEU 32 Ca 0.05 -2.05 -0.42 0.00 -0.03 0.00 0.00 56.01 53.56 3nbt n LEU 32 Cb 0.39 -0.51 -0.03 0.00 -2.33 0.00 0.00 43.42 40.94 3nbt n LEU 32 CO 0.61 0.98 1.20 -2.28 -1.33 0.00 0.00 177.39 176.57 3nbt s HIS 33 N -1.10 3.00 0.00 -1.77 2.46 -1.21 -2.03 115.29 114.66 3nbt s HIS 33 Ca 0.50 0.74 0.00 0.00 0.47 0.00 0.00 55.06 56.77 3nbt s HIS 33 Cb 0.27 -3.93 0.00 0.00 -0.13 0.00 0.00 32.58 28.79 3nbt s HIS 33 CO 0.33 -3.28 0.00 0.41 -2.47 0.00 0.00 174.74 169.73 3nbt n GLY 34 N 3.13 0.45 0.11 1.59 0.00 -1.26 -4.97 105.19 104.24 3nbt n GLY 34 Ca 0.11 -0.76 -0.08 0.00 0.00 0.00 0.00 46.02 45.29 3nbt n GLY 34 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3nbt h LEU 35 N 0.00 -0.02 -9.62 0.99 5.85 -1.79 -3.40 115.31 107.31 3nbt h LEU 35 Ca 0.00 0.04 -0.53 0.00 0.84 0.00 0.00 57.88 58.23 3nbt h LEU 35 Cb 0.00 0.06 0.03 0.00 0.37 0.00 0.00 40.66 41.13 3nbt h LEU 35 CO 0.00 0.02 0.73 -0.36 -0.34 0.00 0.00 178.44 178.48 3nbt s PHE 36 N -6.18 3.20 0.00 1.25 0.40 -1.26 -2.70 117.98 112.69 3nbt s PHE 36 Ca -0.13 1.00 0.00 0.00 -0.60 0.00 0.00 56.93 57.20 3nbt s PHE 36 Cb 0.10 -3.71 0.00 0.00 0.51 0.00 0.00 43.02 39.93 3nbt s PHE 36 CO 0.69 -2.39 0.00 0.41 0.70 0.00 0.00 175.22 174.63 3nbt n GLY 37 N 3.01 0.75 3.54 4.36 0.00 0.09 -5.00 105.19 111.94 3nbt n GLY 37 Ca 0.09 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.85 3nbt n GLY 37 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3nbt s ARG 38 N -0.31 1.96 0.69 1.61 3.52 -1.10 -4.90 118.95 120.42 3nbt s ARG 38 Ca 0.00 -1.35 -0.11 0.00 -0.13 0.00 0.00 55.73 54.14 3nbt s ARG 38 Cb 0.00 -2.08 0.00 0.00 -1.56 0.00 0.00 34.95 31.31 3nbt s ARG 38 CO 0.00 0.42 1.06 0.15 -0.81 0.00 0.00 175.30 176.12 3nbt s LYS 39 N -2.89 2.98 0.65 5.12 -0.14 -1.26 -0.60 119.74 123.59 3nbt s LYS 39 Ca 0.25 0.97 -0.18 0.00 -1.36 0.00 0.00 55.97 55.65 3nbt s LYS 39 Cb -0.08 -1.99 -0.01 0.00 -1.68 0.00 0.00 37.83 34.06 3nbt s LYS 39 CO 0.14 -1.07 1.30 0.95 -0.76 0.00 0.00 175.35 175.92 3nbt s THR 40 N -3.01 2.01 -1.48 2.17 -4.23 -0.00 -3.42 115.64 107.68 3nbt s THR 40 Ca 0.58 0.01 -0.12 0.00 -1.18 0.00 0.00 61.69 60.98 3nbt s THR 40 Cb -0.14 -3.00 0.06 0.00 1.34 0.00 0.00 72.50 70.76 3nbt s THR 40 CO 0.54 -0.00 1.06 0.61 -0.54 0.00 0.00 174.62 176.28 3nbt n GLY 41 N 0.91 -0.52 0.65 3.99 0.00 -1.22 -4.76 105.19 104.24 3nbt n GLY 41 Ca 0.16 0.22 0.06 0.00 0.00 0.00 0.00 46.02 46.46 3nbt n GLY 41 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3nbt n GLN 42 N -4.80 2.22 -2.04 1.61 1.13 -1.22 -4.82 117.38 109.47 3nbt n GLN 42 Ca 0.03 -1.85 -0.43 0.00 -1.94 0.00 0.00 57.00 52.82 3nbt n GLN 42 Cb 0.54 -1.28 -0.03 0.00 0.11 0.00 0.00 30.24 29.58 3nbt n GLN 42 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3nbt s ALA 43 N -1.01 3.41 0.18 -1.58 0.00 -1.26 -4.92 121.76 116.58 3nbt s ALA 43 Ca 0.22 0.71 -0.33 0.00 0.00 0.00 0.00 51.96 52.56 3nbt s ALA 43 Cb 0.12 -3.81 -0.14 0.00 0.00 0.00 0.00 23.12 19.30 3nbt s ALA 43 CO 0.17 -1.72 1.54 -2.30 0.00 0.00 0.00 175.76 173.45 3nbt n PRO 44 N 7.45 2.13 -0.67 0.00 -0.02 -1.26 -2.58 135.00 140.05 3nbt n PRO 44 Ca 0.19 0.76 0.00 0.00 -2.02 0.00 0.00 63.50 62.43 3nbt n PRO 44 Cb 0.44 -2.51 0.00 0.00 -0.02 0.00 0.00 33.50 31.41 3nbt n PRO 44 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3nbt n GLY 45 N 3.12 0.77 3.42 -1.23 0.00 -1.26 -5.00 105.19 105.01 3nbt n GLY 45 Ca 0.16 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.85 3nbt n GLY 45 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3nbt s PHE 46 N -2.83 2.62 -0.48 1.61 5.36 -1.06 -5.05 117.98 118.16 3nbt s PHE 46 Ca 0.00 -0.29 -0.16 0.00 -0.96 0.00 0.00 56.93 55.52 3nbt s PHE 46 Cb 0.00 -1.62 0.07 0.00 -0.34 0.00 0.00 43.02 41.13 3nbt s PHE 46 CO 0.00 0.08 0.46 0.99 -1.46 0.00 0.00 175.22 175.29 3nbt s THR 47 N -0.58 5.14 0.76 0.12 2.01 -1.26 -4.91 115.64 116.92 3nbt s THR 47 Ca 0.08 -0.90 -0.06 0.00 0.31 0.00 0.00 61.69 61.12 3nbt s THR 47 Cb -0.11 -4.17 0.12 0.00 0.01 0.00 0.00 72.50 68.35 3nbt s THR 47 CO 0.01 -0.64 1.07 -0.31 -0.69 0.00 0.00 174.62 174.06 3nbt s TYR 48 N 1.91 2.11 0.61 4.92 2.02 -1.26 -5.08 117.35 122.57 3nbt s TYR 48 Ca 0.07 0.12 -0.12 0.00 -0.37 0.00 0.00 57.07 56.77 3nbt s TYR 48 Cb -0.23 -3.32 -0.04 0.00 -0.40 0.00 0.00 41.96 37.97 3nbt s TYR 48 CO 0.08 -1.79 1.02 0.95 -1.57 0.00 0.00 175.55 174.25 3nbt s THR 49 N -3.33 4.61 0.44 -0.71 -4.23 -1.26 -4.82 115.64 106.33 3nbt s THR 49 Ca 0.66 0.93 0.09 0.00 -1.18 0.00 0.00 61.69 62.18 3nbt s THR 49 Cb -0.07 -3.80 0.27 0.00 1.34 0.00 0.00 72.50 70.24 3nbt s THR 49 CO 0.46 -1.03 2.08 0.44 -0.54 0.00 0.00 174.62 176.03 3nbt h ASP 50 N -0.10 0.36 0.41 3.99 3.45 -1.98 0.25 116.42 122.81 3nbt h ASP 50 Ca -0.45 -0.01 -0.02 0.00 0.43 0.00 0.00 57.03 56.99 3nbt h ASP 50 Cb 1.19 -0.09 0.00 0.00 -0.56 0.00 0.00 39.33 39.87 3nbt h ASP 50 CO 0.61 0.26 -0.19 0.00 -1.57 0.00 0.00 179.24 178.35 3nbt h ALA 51 N 1.80 -0.54 -0.31 3.45 0.00 -1.88 -1.07 119.26 120.70 3nbt h ALA 51 Ca 0.12 -0.15 -0.08 0.00 0.00 0.00 0.00 54.91 54.81 3nbt h ALA 51 Cb -0.03 0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 3nbt h ALA 51 CO -0.03 -0.76 -0.13 -0.97 0.00 0.00 0.00 179.25 177.36 3nbt h ASN 52 N -0.64 0.52 -0.05 0.00 -0.00 -1.77 -1.39 115.58 112.26 3nbt h ASN 52 Ca -0.06 -0.14 -0.04 0.00 -0.00 0.00 0.00 56.30 56.07 3nbt h ASN 52 Cb 0.47 -0.14 -0.01 0.00 -0.00 0.00 0.00 38.32 38.64 3nbt h ASN 52 CO 0.09 0.69 -0.05 0.50 -0.00 0.00 0.00 177.43 178.66 3nbt h LYS 53 N 0.49 0.26 0.00 6.67 3.64 -0.31 -3.24 116.57 124.09 3nbt h LYS 53 Ca 0.09 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.42 3nbt h LYS 53 Cb 0.53 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.30 3nbt h LYS 53 CO 0.03 0.33 -0.00 0.09 -2.27 0.00 0.00 179.45 177.63 3nbt n ASN 54 N -4.34 2.29 0.02 4.20 3.02 -0.42 -4.65 115.26 115.38 3nbt n ASN 54 Ca -0.00 -2.93 0.15 0.00 -0.03 0.00 0.00 54.58 51.76 3nbt n ASN 54 Cb 0.21 -0.37 0.61 0.00 -0.61 0.00 0.00 39.78 39.62 3nbt n ASN 54 CO 0.00 0.00 0.00 0.50 -2.62 0.00 0.00 177.26 175.14 3nbt h LYS 55 N 0.00 0.15 -0.23 3.52 1.63 -1.31 -3.46 116.57 116.88 3nbt h LYS 55 Ca 0.00 -0.01 -0.10 0.00 -0.85 0.00 0.00 60.65 59.69 3nbt h LYS 55 Cb 0.93 -0.03 -0.04 0.00 -0.60 0.00 0.00 32.23 32.49 3nbt h LYS 55 CO 0.00 0.10 -0.09 0.41 -3.45 0.00 0.00 179.45 176.42 3nbt n GLY 56 N -1.58 0.70 3.94 5.01 0.00 -1.26 -5.03 105.19 106.97 3nbt n GLY 56 Ca 0.07 -0.31 -0.19 0.00 0.00 0.00 0.00 46.02 45.58 3nbt n GLY 56 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3nbt s ILE 57 N -1.96 3.57 -0.20 -0.61 -5.25 -1.26 -4.88 121.20 110.61 3nbt s ILE 57 Ca 0.00 -1.14 -0.09 0.00 -0.99 0.00 0.00 60.65 58.43 3nbt s ILE 57 Cb 0.00 -3.23 -0.04 0.00 2.95 0.00 0.00 42.46 42.14 3nbt s ILE 57 CO 0.00 -0.12 0.10 -0.89 -1.79 0.00 0.00 174.94 172.24 3nbt s THR 58 N -2.28 5.00 -0.14 8.37 2.01 -1.26 -0.82 115.64 126.53 3nbt s THR 58 Ca 0.46 0.05 -0.29 0.00 0.31 0.00 0.00 61.69 62.21 3nbt s THR 58 Cb -0.08 -3.28 -0.03 0.00 0.01 0.00 0.00 72.50 69.12 3nbt s THR 58 CO 0.30 0.43 1.49 0.26 -0.69 0.00 0.00 174.62 176.40 3nbt s TRP 59 N 0.57 2.34 0.33 4.92 0.23 0.23 -4.68 118.94 122.88 3nbt s TRP 59 Ca 0.05 0.58 -0.08 0.00 -2.03 0.00 0.00 56.10 54.62 3nbt s TRP 59 Cb -0.12 -3.78 0.01 0.00 0.03 0.00 0.00 33.47 29.61 3nbt s TRP 59 CO 0.01 -2.82 0.56 -1.59 0.96 0.00 0.00 176.95 174.07 3nbt s LYS 60 N 3.97 1.90 0.15 4.98 -2.85 -1.26 -0.73 119.74 125.89 3nbt s LYS 60 Ca 0.65 -1.55 -0.20 0.00 -1.00 0.00 0.00 55.97 53.88 3nbt s LYS 60 Cb -0.27 0.50 0.04 0.00 -2.06 0.00 0.00 37.83 36.04 3nbt s LYS 60 CO 0.24 -0.82 1.66 0.93 0.10 0.00 0.00 175.35 177.46 3nbt h GLU 61 N 2.12 -0.12 -0.21 1.78 5.08 -1.99 0.16 114.58 121.40 3nbt h GLU 61 Ca -0.28 0.01 0.05 0.00 -1.00 0.00 0.00 59.36 58.13 3nbt h GLU 61 Cb 1.24 0.03 -0.05 0.00 0.50 0.00 0.00 28.75 30.47 3nbt h GLU 61 CO 0.38 -0.08 -0.09 0.93 -1.00 0.00 0.00 179.01 179.15 3nbt h GLU 62 N -0.13 -0.06 -0.41 2.33 3.07 -1.97 0.64 114.58 118.05 3nbt h GLU 62 Ca 0.14 0.00 -0.08 0.00 -0.50 0.00 0.00 59.36 58.92 3nbt h GLU 62 Cb 0.34 0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 28.25 3nbt h GLU 62 CO -0.35 -0.04 -0.08 1.79 -1.40 0.00 0.00 179.01 178.93 3nbt h THR 63 N -0.07 1.27 -0.72 1.13 1.35 -1.76 -3.07 112.91 111.05 3nbt h THR 63 Ca 0.11 -1.16 -0.07 0.00 -0.55 0.00 0.00 66.41 64.75 3nbt h THR 63 Cb 0.24 1.19 -0.03 0.00 -1.73 0.00 0.00 68.15 67.81 3nbt h THR 63 CO -0.26 0.39 0.19 -0.07 -0.25 0.00 0.00 175.52 175.53 3nbt h LEU 64 N 0.59 1.08 -0.66 3.87 3.38 -0.77 -0.91 115.31 121.88 3nbt h LEU 64 Ca 0.11 -0.23 0.09 0.00 0.09 0.00 0.00 57.88 57.94 3nbt h LEU 64 Cb 0.59 -0.28 -0.07 0.00 0.09 0.00 0.00 40.66 40.99 3nbt h LEU 64 CO 0.04 1.02 0.31 0.24 0.09 0.00 0.00 178.44 180.14 3nbt h MET 65 N 1.08 0.53 -0.12 1.13 2.86 -0.82 0.60 114.93 120.20 3nbt h MET 65 Ca 0.23 -0.03 -0.11 0.00 -2.06 0.00 0.00 59.70 57.72 3nbt h MET 65 Cb 0.35 -0.12 0.00 0.00 0.06 0.00 0.00 31.60 31.90 3nbt h MET 65 CO -0.00 0.35 -0.37 1.49 1.06 0.00 0.00 176.91 179.44 3nbt h GLU 66 N 0.55 0.46 0.05 1.72 4.81 -1.40 -3.05 114.58 117.72 3nbt h GLU 66 Ca 0.32 -0.34 0.01 0.00 -0.13 0.00 0.00 59.36 59.23 3nbt h GLU 66 Cb 0.33 0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.75 3nbt h GLU 66 CO -0.26 0.96 -0.13 -0.92 -0.73 0.00 0.00 179.01 177.93 3nbt h TYR 67 N 0.06 -0.33 0.00 0.92 3.20 -0.80 -2.76 116.97 117.25 3nbt h TYR 67 Ca -0.01 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.85 3nbt h TYR 67 Cb 0.99 0.14 -0.00 0.00 1.54 0.00 0.00 36.73 39.40 3nbt h TYR 67 CO 0.11 -0.20 -0.06 -0.07 -1.64 0.00 0.00 178.16 176.31 3nbt h LEU 68 N -0.24 0.00 -0.69 2.82 3.38 -0.97 0.49 115.31 120.10 3nbt h LEU 68 Ca 0.03 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.88 3nbt h LEU 68 Cb 0.28 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 3nbt h LEU 68 CO -0.09 0.06 -0.28 -0.08 0.09 0.00 0.00 178.44 178.13 3nbt h GLU 69 N 0.00 0.70 -0.85 1.13 4.81 -1.37 -3.41 114.58 115.60 3nbt h GLU 69 Ca -0.00 -0.31 -0.05 0.00 -0.13 0.00 0.00 59.36 58.88 3nbt h GLU 69 Cb 0.14 -0.02 -0.18 0.00 0.63 0.00 0.00 28.75 29.32 3nbt h GLU 69 CO 0.01 0.91 -0.39 1.21 -0.73 0.00 0.00 179.01 180.01 3nbt s ASN 70 N -6.79 -1.29 0.15 1.04 3.84 -0.87 -5.07 114.94 105.95 3nbt s ASN 70 Ca -0.09 -0.85 -0.26 0.00 0.21 0.00 0.00 52.86 51.87 3nbt s ASN 70 Cb 0.13 1.66 0.00 0.00 -0.55 0.00 0.00 41.25 42.49 3nbt s ASN 70 CO 0.83 -0.12 1.58 -0.65 -2.79 0.00 0.00 177.10 175.95 3nbt h PRO 71 N 6.26 -0.32 0.00 0.43 0.11 -1.17 -1.84 132.00 135.48 3nbt h PRO 71 Ca 0.04 0.02 -0.02 0.00 0.11 0.00 0.00 66.00 66.15 3nbt h PRO 71 Cb 1.17 0.07 -0.00 0.00 0.11 0.00 0.00 31.00 32.36 3nbt h PRO 71 CO 0.05 -0.22 -0.10 0.87 -0.21 0.00 0.00 178.00 178.39 3nbt h LYS 72 N -0.34 0.00 -0.06 1.05 1.57 -1.87 0.35 116.57 117.27 3nbt h LYS 72 Ca 0.14 0.00 -0.24 0.00 -1.87 0.00 0.00 60.65 58.67 3nbt h LYS 72 Cb 0.58 0.00 0.02 0.00 0.08 0.00 0.00 32.23 32.91 3nbt h LYS 72 CO -0.53 0.10 -0.90 -0.22 -0.57 0.00 0.00 179.45 177.32 3nbt h LYS 73 N 0.00 0.72 -0.25 3.15 3.64 -1.78 -1.85 116.57 120.20 3nbt h LYS 73 Ca -0.00 -0.70 -0.17 0.00 -1.27 0.00 0.00 60.65 58.51 3nbt h LYS 73 Cb 0.25 0.18 -0.00 0.00 -0.41 0.00 0.00 32.23 32.24 3nbt h LYS 73 CO 0.01 1.28 -0.52 -0.92 -2.27 0.00 0.00 179.45 177.03 3nbt h TYR 74 N 0.42 0.90 -2.61 1.91 3.20 -0.53 -3.37 116.97 116.89 3nbt h TYR 74 Ca -0.10 -0.31 -0.60 0.00 3.14 0.00 0.00 58.73 60.86 3nbt h TYR 74 Cb 1.55 -0.17 -0.39 0.00 1.54 0.00 0.00 36.73 39.25 3nbt h TYR 74 CO 0.10 1.09 -0.83 -0.89 -1.64 0.00 0.00 178.16 175.99 3nbt n ILE 75 N -3.99 -0.15 -1.71 1.81 5.41 0.11 -5.08 119.36 115.76 3nbt n ILE 75 Ca -0.03 -3.97 -0.42 0.00 1.00 0.00 0.00 62.75 59.33 3nbt n ILE 75 Cb 0.60 -1.85 -0.00 0.00 -0.71 0.00 0.00 39.64 37.68 3nbt n ILE 75 CO 0.00 0.00 0.00 -0.81 0.00 0.00 0.00 176.55 175.74 3nbt n PRO 76 N 2.48 2.16 0.00 0.38 -0.04 -0.70 -1.72 135.00 137.57 3nbt n PRO 76 Ca 0.26 0.76 0.00 0.00 -0.04 0.00 0.00 63.50 64.48 3nbt n PRO 76 Cb 0.43 -2.40 0.00 0.00 -0.04 0.00 0.00 33.50 31.50 3nbt n PRO 76 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3nbt n GLY 77 N 0.73 1.93 3.77 0.55 0.00 -1.26 -4.77 105.19 106.13 3nbt n GLY 77 Ca 0.05 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.68 3nbt n GLY 77 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3nbt s THR 78 N -2.39 2.64 -0.09 2.61 -1.32 -0.70 -4.83 115.64 111.57 3nbt s THR 78 Ca 0.00 0.55 0.03 0.00 -1.21 0.00 0.00 61.69 61.06 3nbt s THR 78 Cb 0.00 -3.31 0.00 0.00 -1.51 0.00 0.00 72.50 67.68 3nbt s THR 78 CO 0.00 0.06 -0.20 -0.54 -2.21 0.00 0.00 174.62 171.72 3nbt s LYS 79 N -2.39 2.65 0.20 7.08 -0.14 -1.26 -4.92 119.74 120.96 3nbt s LYS 79 Ca 0.60 -0.74 0.23 0.00 -1.36 0.00 0.00 55.97 54.70 3nbt s LYS 79 Cb -0.37 -2.04 0.21 0.00 -1.68 0.00 0.00 37.83 33.95 3nbt s LYS 79 CO 0.46 0.13 1.25 0.52 -0.76 0.00 0.00 175.35 176.95 3nbt h MET 80 N 6.80 0.00 -5.01 1.68 2.86 -1.98 -3.48 114.93 115.81 3nbt h MET 80 Ca -0.23 0.00 -0.36 0.00 -2.06 0.00 0.00 59.70 57.06 3nbt h MET 80 Cb 1.22 0.00 -0.14 0.00 0.06 0.00 0.00 31.60 32.74 3nbt h MET 80 CO 0.47 0.00 -0.66 0.96 1.06 0.00 0.00 176.91 178.75 3nbt s ILE 81 N -3.26 0.92 -0.29 -1.22 -4.36 -1.26 -4.83 121.20 106.90 3nbt s ILE 81 Ca 0.03 -2.02 -0.37 0.00 -0.26 0.00 0.00 60.65 58.03 3nbt s ILE 81 Cb 0.11 -2.32 -0.17 0.00 1.25 0.00 0.00 42.46 41.33 3nbt s ILE 81 CO 0.74 -0.33 1.20 0.33 0.24 0.00 0.00 174.94 177.12 3nbt n PHE 82 N -0.38 1.18 -0.79 1.37 7.35 -1.26 -4.85 117.46 120.07 3nbt n PHE 82 Ca -0.05 0.94 0.01 0.00 -0.76 0.00 0.00 57.45 57.58 3nbt n PHE 82 Cb 0.64 -1.83 0.01 0.00 0.35 0.00 0.00 39.48 38.65 3nbt n PHE 82 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3nbt n ALA 83 N 2.69 1.48 0.00 3.13 0.00 -1.26 -5.13 120.51 121.43 3nbt n ALA 83 Ca 0.23 -0.83 0.00 0.00 0.00 0.00 0.00 53.44 52.84 3nbt n ALA 83 Cb -0.01 -0.07 0.00 0.00 0.00 0.00 0.00 19.45 19.36 3nbt n ALA 83 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3nbt n GLY 84 N -0.24 3.02 3.30 0.00 0.00 -1.26 -5.04 105.19 104.97 3nbt n GLY 84 Ca 0.01 -2.03 -0.36 0.00 0.00 0.00 0.00 46.02 43.64 3nbt n GLY 84 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3nbt s ILE 85 N -2.63 3.53 0.01 -0.61 -1.09 -1.26 -5.03 121.20 114.13 3nbt s ILE 85 Ca 0.00 -0.75 -0.27 0.00 -2.23 0.00 0.00 60.65 57.41 3nbt s ILE 85 Cb 0.00 -2.78 -0.15 0.00 -1.58 0.00 0.00 42.46 37.95 3nbt s ILE 85 CO 0.00 0.18 1.13 0.50 -1.23 0.00 0.00 174.94 175.52 3nbt h LYS 86 N 8.14 -0.87 -6.28 2.79 3.64 -1.98 -3.44 116.57 118.56 3nbt h LYS 86 Ca -0.34 0.06 -0.54 0.00 -1.27 0.00 0.00 60.65 58.56 3nbt h LYS 86 Cb 1.13 0.20 0.01 0.00 -0.41 0.00 0.00 32.23 33.16 3nbt h LYS 86 CO 0.59 -0.56 1.28 0.21 -2.27 0.00 0.00 179.45 178.70 3nbt s LYS 87 N -4.69 3.95 0.52 1.90 2.20 -1.26 -4.87 119.74 117.48 3nbt s LYS 87 Ca -0.14 2.48 0.24 0.00 -0.36 0.00 0.00 55.97 58.19 3nbt s LYS 87 Cb 0.02 -4.20 1.35 0.00 -1.51 0.00 0.00 37.83 33.49 3nbt s LYS 87 CO 0.44 -1.18 2.00 -0.22 -0.36 0.00 0.00 175.35 176.03 3nbt h LYS 88 N 11.43 0.04 0.30 4.03 3.64 -2.00 -2.27 116.57 131.73 3nbt h LYS 88 Ca -0.48 -0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 58.89 3nbt h LYS 88 Cb 1.24 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 33.05 3nbt h LYS 88 CO 0.95 0.02 -0.14 1.15 -2.27 0.00 0.00 179.45 179.16 3nbt h THR 89 N 0.04 0.74 -0.81 1.00 2.02 -1.98 -1.88 112.91 112.03 3nbt h THR 89 Ca 0.24 -0.37 -0.01 0.00 0.77 0.00 0.00 66.41 67.04 3nbt h THR 89 Cb 0.90 0.94 -0.04 0.00 -1.74 0.00 0.00 68.15 68.21 3nbt h THR 89 CO -0.01 0.08 0.47 -0.33 0.37 0.00 0.00 175.52 176.10 3nbt h GLU 90 N -0.60 1.11 -0.80 6.66 5.08 -1.83 -1.31 114.58 122.89 3nbt h GLU 90 Ca -0.04 -0.11 0.04 0.00 -1.00 0.00 0.00 59.36 58.25 3nbt h GLU 90 Cb 0.43 -0.23 -0.05 0.00 0.50 0.00 0.00 28.75 29.41 3nbt h GLU 90 CO 0.07 0.79 0.51 0.00 -1.00 0.00 0.00 179.01 179.38 3nbt h ARG 91 N 1.12 0.95 -0.38 2.33 3.08 -1.38 0.34 114.38 120.43 3nbt h ARG 91 Ca 0.29 -0.06 -0.02 0.00 0.07 0.00 0.00 59.98 60.26 3nbt h ARG 91 Cb -0.02 -0.21 -0.02 0.00 0.08 0.00 0.00 29.97 29.80 3nbt h ARG 91 CO -0.05 0.63 0.14 0.93 -1.07 0.00 0.00 179.97 180.55 3nbt h GLU 92 N 0.98 0.57 -0.30 0.04 5.08 -0.73 -0.31 114.58 119.92 3nbt h GLU 92 Ca 0.33 -0.11 -0.04 0.00 -1.00 0.00 0.00 59.36 58.54 3nbt h GLU 92 Cb 0.04 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.19 3nbt h GLU 92 CO -0.12 0.56 0.05 -0.44 -1.00 0.00 0.00 179.01 178.05 3nbt h ASP 93 N 0.47 0.47 -0.30 1.42 3.45 -0.58 0.76 116.42 122.11 3nbt h ASP 93 Ca 0.13 -0.26 0.03 0.00 0.43 0.00 0.00 57.03 57.35 3nbt h ASP 93 Cb 0.21 -0.13 -0.03 0.00 -0.56 0.00 0.00 39.33 38.82 3nbt h ASP 93 CO -0.01 0.61 0.12 0.25 -1.57 0.00 0.00 179.24 178.64 3nbt h LEU 94 N 0.32 0.15 -1.16 1.55 5.85 -0.27 -0.24 115.31 121.50 3nbt h LEU 94 Ca 0.09 0.03 -0.06 0.00 0.84 0.00 0.00 57.88 58.77 3nbt h LEU 94 Cb 0.34 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.36 3nbt h LEU 94 CO 0.01 0.12 -0.09 0.40 -0.34 0.00 0.00 178.44 178.53 3nbt h ILE 95 N 0.26 1.22 -0.47 4.05 2.04 -0.90 0.11 117.51 123.81 3nbt h ILE 95 Ca 0.13 -0.93 -0.08 0.00 1.00 0.00 0.00 64.86 64.98 3nbt h ILE 95 Cb 0.08 1.10 -0.02 0.00 -0.74 0.00 0.00 36.82 37.25 3nbt h ILE 95 CO -0.12 0.31 -0.03 0.00 0.00 0.00 0.00 178.15 178.31 3nbt h ALA 96 N 1.47 0.64 -0.42 1.87 0.00 -0.09 -0.93 119.26 121.81 3nbt h ALA 96 Ca 0.09 -0.30 -0.04 0.00 0.00 0.00 0.00 54.91 54.66 3nbt h ALA 96 Cb 0.44 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 3nbt h ALA 96 CO 0.02 0.47 0.11 -0.92 0.00 0.00 0.00 179.25 178.94 3nbt h TYR 97 N 0.71 0.69 -0.51 0.00 3.20 -0.54 -2.89 116.97 117.63 3nbt h TYR 97 Ca 0.13 -0.08 -0.01 0.00 3.14 0.00 0.00 58.73 61.92 3nbt h TYR 97 Cb 0.55 -0.20 -0.02 0.00 1.54 0.00 0.00 36.73 38.60 3nbt h TYR 97 CO 0.04 0.65 0.30 -0.07 -1.64 0.00 0.00 178.16 177.44 3nbt h LEU 98 N 0.53 0.62 -0.98 2.82 3.38 -0.87 0.30 115.31 121.11 3nbt h LEU 98 Ca 0.13 -0.07 0.19 0.00 0.09 0.00 0.00 57.88 58.22 3nbt h LEU 98 Cb 0.30 -0.16 -0.11 0.00 0.09 0.00 0.00 40.66 40.79 3nbt h LEU 98 CO -0.00 0.51 0.58 0.50 0.09 0.00 0.00 178.44 180.12 3nbt h LYS 99 N 0.68 0.71 0.00 1.13 3.64 -1.02 0.11 116.57 121.83 3nbt h LYS 99 Ca 0.18 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.52 3nbt h LYS 99 Cb 0.01 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 31.67 3nbt h LYS 99 CO -0.03 0.47 -0.00 -0.22 -2.27 0.00 0.00 179.45 177.40 3nbt h LYS 100 N 0.73 -0.00 -1.00 1.90 3.64 -1.22 -3.32 116.57 117.31 3nbt h LYS 100 Ca 0.57 0.00 0.08 0.00 -1.27 0.00 0.00 60.65 60.02 3nbt h LYS 100 Cb 0.88 0.00 -0.07 0.00 -0.41 0.00 0.00 32.23 32.63 3nbt h LYS 100 CO -0.39 0.13 0.64 0.00 -2.27 0.00 0.00 179.45 177.57 3nbt h ALA 101 N -0.86 1.41 0.00 5.00 0.00 -0.77 -2.08 119.26 121.96 3nbt h ALA 101 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3nbt h ALA 101 Cb 0.14 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.64 3nbt h ALA 101 CO 0.00 0.40 0.00 0.25 0.00 0.00 0.00 179.25 179.90 3nbt n THR 102 N -4.53 0.47 -0.46 0.00 -2.24 0.36 -1.86 114.28 106.02 3nbt n THR 102 Ca 0.16 -0.04 0.11 0.00 -2.27 0.00 0.00 64.05 62.01 3nbt n THR 102 Cb 0.22 -0.69 0.34 0.00 -2.10 0.00 0.00 70.33 68.10 3nbt n THR 102 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 3nbt n ASN 103 N -1.89 4.29 0.00 3.42 5.15 -0.80 -5.08 115.26 120.35 3nbt n ASN 103 Ca 0.05 -2.17 0.00 0.00 -0.60 0.00 0.00 54.58 51.87 3nbt n ASN 103 Cb 0.34 -0.53 0.00 0.00 -0.53 0.00 0.00 39.78 39.06 3nbt n ASN 103 CO 0.00 0.00 0.00 1.21 1.40 0.00 0.00 177.26 179.87