#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 6.31 0.19 1.61 -1.08 -1.26 -4.90 116.67 117.54 3nbt s ASP 2 Ca 0.00 -0.89 -0.14 0.00 -0.52 0.00 0.00 52.55 51.00 3nbt s ASP 2 Cb 0.00 -2.56 0.19 0.00 -1.46 0.00 0.00 42.92 39.09 3nbt s ASP 2 CO 0.00 -1.69 1.66 0.58 0.52 0.00 0.00 175.17 176.24 3nbt h VAL 3 N 6.36 0.54 -0.82 1.11 2.07 -2.05 0.25 116.25 123.71 3nbt h VAL 3 Ca -0.07 -0.02 -0.00 0.00 0.82 0.00 0.00 66.70 67.43 3nbt h VAL 3 Cb 1.03 0.47 -0.04 0.00 -1.52 0.00 0.00 31.29 31.24 3nbt h VAL 3 CO 1.34 0.01 0.51 -0.08 0.02 0.00 0.00 177.57 179.37 3nbt h GLU 4 N 0.06 1.10 -0.23 1.57 4.57 -2.00 -0.28 114.58 119.37 3nbt h GLU 4 Ca 0.26 -0.09 -0.16 0.00 -1.18 0.00 0.00 59.36 58.19 3nbt h GLU 4 Cb 0.40 -0.24 0.00 0.00 -0.16 0.00 0.00 28.75 28.75 3nbt h GLU 4 CO -0.48 0.76 -0.47 0.87 -1.18 0.00 0.00 179.01 178.51 3nbt h LYS 5 N 1.12 0.72 -0.93 1.92 1.57 -1.69 -3.08 116.57 116.19 3nbt h LYS 5 Ca 0.30 -0.47 0.05 0.00 -1.87 0.00 0.00 60.65 58.66 3nbt h LYS 5 Cb -0.07 0.06 -0.06 0.00 0.08 0.00 0.00 32.23 32.24 3nbt h LYS 5 CO -0.06 1.10 0.61 0.78 -0.57 0.00 0.00 179.45 181.31 3nbt h GLY 6 N 0.44 1.37 1.20 3.86 0.00 0.04 -1.70 103.07 108.28 3nbt h GLY 6 Ca 0.00 -0.44 0.01 0.00 0.00 0.00 0.00 47.33 46.90 3nbt h GLY 6 CO 0.10 0.34 0.54 1.70 0.00 0.00 0.00 176.54 179.23 3nbt h LYS 7 N 1.11 1.07 -0.31 4.80 3.64 -0.98 -0.36 116.57 125.53 3nbt h LYS 7 Ca 0.39 -0.06 -0.15 0.00 -1.27 0.00 0.00 60.65 59.56 3nbt h LYS 7 Cb 0.12 -0.24 -0.01 0.00 -0.41 0.00 0.00 32.23 31.70 3nbt h LYS 7 CO -0.14 0.71 -0.40 0.87 -2.27 0.00 0.00 179.45 178.21 3nbt h LYS 8 N 1.10 0.75 -0.06 1.90 1.57 -1.28 -2.04 116.57 118.51 3nbt h LYS 8 Ca 0.30 -0.39 -0.01 0.00 -1.87 0.00 0.00 60.65 58.68 3nbt h LYS 8 Cb -0.12 0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.20 3nbt h LYS 8 CO -0.07 1.02 0.01 0.82 -0.57 0.00 0.00 179.45 180.66 3nbt h ILE 9 N 0.61 1.21 -0.66 1.86 2.04 -0.82 -2.41 117.51 119.36 3nbt h ILE 9 Ca 0.05 -0.65 0.08 0.00 1.00 0.00 0.00 64.86 65.34 3nbt h ILE 9 Cb 0.95 1.53 -0.06 0.00 -0.74 0.00 0.00 36.82 38.50 3nbt h ILE 9 CO 0.09 0.18 0.32 0.15 0.00 0.00 0.00 178.15 178.89 3nbt h PHE 10 N -0.14 0.57 -0.48 1.37 3.57 -1.02 0.22 116.94 121.04 3nbt h PHE 10 Ca 0.02 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.52 3nbt h PHE 10 Cb 0.27 -0.16 -0.02 0.00 2.79 0.00 0.00 35.95 38.83 3nbt h PHE 10 CO 0.01 0.22 0.18 -0.39 -2.23 0.00 0.00 178.31 176.11 3nbt h VAL 11 N 0.56 1.21 -0.21 1.41 -1.51 -1.30 0.52 116.25 116.94 3nbt h VAL 11 Ca 0.32 -0.68 -0.17 0.00 -1.23 0.00 0.00 66.70 64.94 3nbt h VAL 11 Cb 0.31 0.76 -0.00 0.00 -2.13 0.00 0.00 31.29 30.22 3nbt h VAL 11 CO -0.25 0.25 -0.56 -0.61 -1.23 0.00 0.00 177.57 175.18 3nbt h GLN 12 N 0.64 0.64 -0.00 5.19 4.15 -0.92 -3.36 115.11 121.45 3nbt h GLN 12 Ca 0.16 -0.41 0.00 0.00 0.77 0.00 0.00 58.65 59.17 3nbt h GLN 12 Cb 0.21 0.05 0.00 0.00 0.21 0.00 0.00 27.48 27.95 3nbt h GLN 12 CO -0.01 1.02 -0.23 1.63 -1.93 0.00 0.00 178.83 179.31 3nbt n LYS 13 N -3.97 4.74 0.00 1.69 5.02 0.74 -4.87 118.16 121.52 3nbt n LYS 13 Ca -0.04 -0.08 0.00 0.00 -2.02 0.00 0.00 58.31 56.18 3nbt n LYS 13 Cb 0.61 -0.79 0.00 0.00 -0.02 0.00 0.00 35.03 34.84 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 2.62 -0.92 0.00 0.00 -0.96 -0.53 119.26 119.46 3nbt h ALA 15 Ca 0.00 0.02 0.17 0.00 0.00 0.00 0.00 54.91 55.10 3nbt h ALA 15 Cb 0.79 0.06 -0.08 0.00 0.00 0.00 0.00 17.79 18.56 3nbt h ALA 15 CO 0.00 -0.99 0.59 1.96 0.00 0.00 0.00 179.25 180.81 3nbt h GLN 16 N 0.21 0.60 0.00 0.00 7.50 -1.85 -3.09 115.11 118.48 3nbt h GLN 16 Ca 0.58 -0.04 0.00 0.00 0.50 0.00 0.00 58.65 59.69 3nbt h GLN 16 Cb 1.83 -0.14 0.00 0.00 0.05 0.00 0.00 27.48 29.22 3nbt h GLN 16 CO -0.17 0.40 -0.57 0.00 -1.50 0.00 0.00 178.83 176.99 3nbt s HIS 18 N -1.89 0.77 0.27 0.00 3.76 -0.68 -0.51 115.29 117.01 3nbt s HIS 18 Ca 0.02 -0.43 0.11 0.00 -0.15 0.00 0.00 55.06 54.60 3nbt s HIS 18 Cb 0.06 -0.45 -0.05 0.00 1.11 0.00 0.00 32.58 33.24 3nbt s HIS 18 CO 0.31 -0.04 -0.10 0.95 -0.85 0.00 0.00 174.74 175.01 3nbt s THR 19 N -1.16 2.97 0.00 1.30 -4.23 -1.26 -4.27 115.64 108.99 3nbt s THR 19 Ca -0.06 -2.13 0.00 0.00 -1.18 0.00 0.00 61.69 58.32 3nbt s THR 19 Cb -0.09 -2.57 0.00 0.00 1.34 0.00 0.00 72.50 71.18 3nbt s THR 19 CO 0.01 -0.37 0.00 1.33 -0.54 0.00 0.00 174.62 175.05 3nbt n VAL 20 N -0.70 0.00 -1.46 2.29 0.24 -1.26 -0.65 118.33 116.79 3nbt n VAL 20 Ca -0.06 -0.01 -0.32 0.00 -2.04 0.00 0.00 64.34 61.91 3nbt n VAL 20 Cb 0.59 0.45 0.07 0.00 -1.47 0.00 0.00 33.84 33.48 3nbt n VAL 20 CO 0.00 0.00 0.00 -1.83 -2.14 0.00 0.00 176.83 172.86 3nbt s GLU 21 N -1.73 2.53 0.18 7.34 1.03 -1.26 -3.19 118.70 123.59 3nbt s GLU 21 Ca 0.00 1.19 -0.31 0.00 0.03 0.00 0.00 54.97 55.88 3nbt s GLU 21 Cb 0.00 -1.93 -0.10 0.00 -0.80 0.00 0.00 34.13 31.30 3nbt s GLU 21 CO 0.00 -1.44 1.53 0.21 -1.33 0.00 0.00 175.26 174.23 3nbt s LYS 22 N -4.69 4.23 0.00 -4.83 2.20 -1.26 -0.47 119.74 114.92 3nbt s LYS 22 Ca 0.62 2.33 0.00 0.00 -0.36 0.00 0.00 55.97 58.56 3nbt s LYS 22 Cb -0.17 -3.15 0.00 0.00 -1.51 0.00 0.00 37.83 32.99 3nbt s LYS 22 CO 0.52 -0.56 0.00 0.41 -0.36 0.00 0.00 175.35 175.36 3nbt n GLY 23 N 3.42 0.79 3.69 5.54 0.00 -1.26 -4.99 105.19 112.38 3nbt n GLY 23 Ca 0.12 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.35 0.36 3.79 -0.02 0.00 0.38 -4.95 105.19 102.40 3nbt n GLY 24 Ca 0.00 0.07 -0.35 0.00 0.00 0.00 0.00 46.02 45.75 3nbt n GLY 24 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3nbt s LYS 25 N -2.50 3.67 0.27 1.61 2.20 -1.26 -4.75 119.74 118.99 3nbt s LYS 25 Ca 0.67 1.47 -0.20 0.00 -0.36 0.00 0.00 55.97 57.56 3nbt s LYS 25 Cb -0.47 -2.10 -0.09 0.00 -1.51 0.00 0.00 37.83 33.66 3nbt s LYS 25 CO 0.53 -0.56 0.78 -1.01 -0.36 0.00 0.00 175.35 174.73 3nbt s HIS 26 N -1.87 3.58 0.00 4.03 3.76 -1.26 -4.30 115.29 119.22 3nbt s HIS 26 Ca 0.69 1.44 0.00 0.00 -0.15 0.00 0.00 55.06 57.03 3nbt s HIS 26 Cb -0.20 -2.67 0.00 0.00 1.11 0.00 0.00 32.58 30.82 3nbt s HIS 26 CO 0.23 0.23 0.00 1.63 -0.85 0.00 0.00 174.74 175.99 3nbt n LYS 27 N 0.38 0.96 -0.24 1.40 5.02 -1.26 -4.97 118.16 119.45 3nbt n LYS 27 Ca 0.00 0.00 -0.02 0.00 -2.02 0.00 0.00 58.31 56.27 3nbt n LYS 27 Cb 0.51 0.00 0.09 0.00 -0.02 0.00 0.00 35.03 35.61 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 1.03 -1.36 -0.18 2.02 -1.83 -3.43 112.91 109.18 3nbt h THR 28 Ca 0.00 -0.27 -0.48 0.00 0.77 0.00 0.00 66.41 66.43 3nbt h THR 28 Cb 0.00 0.19 -0.02 0.00 -1.74 0.00 0.00 68.15 66.58 3nbt h THR 28 CO 0.00 0.14 -0.32 -0.83 0.37 0.00 0.00 175.52 174.88 3nbt s GLY 29 N -2.97 2.09 0.50 2.16 0.00 0.33 -4.98 107.32 104.46 3nbt s GLY 29 Ca -0.13 -1.81 -0.18 0.00 0.00 0.00 0.00 44.72 42.60 3nbt s GLY 29 CO 0.76 -1.68 1.00 2.56 0.00 0.00 0.00 173.10 175.75 3nbt s PRO 30 N -4.23 3.89 0.39 2.90 0.04 -1.26 -4.69 135.00 132.04 3nbt s PRO 30 Ca 0.49 1.12 -0.27 0.00 0.04 0.00 0.00 61.00 62.38 3nbt s PRO 30 Cb -0.05 -2.12 -0.10 0.00 0.04 0.00 0.00 34.50 32.27 3nbt s PRO 30 CO 0.29 -0.33 1.44 1.21 0.04 0.00 0.00 177.00 179.65 3nbt s ASN 31 N -2.58 6.26 0.00 6.66 3.84 -1.26 -4.44 114.94 123.42 3nbt s ASN 31 Ca 0.62 2.94 0.23 0.00 0.21 0.00 0.00 52.86 56.86 3nbt s ASN 31 Cb -0.12 -2.66 0.51 0.00 -0.55 0.00 0.00 41.25 38.43 3nbt s ASN 31 CO 0.25 -0.92 1.45 0.18 -2.79 0.00 0.00 177.10 175.27 3nbt n LEU 32 N 0.29 3.51 -4.69 3.21 4.77 0.18 -4.94 117.00 119.34 3nbt n LEU 32 Ca 0.02 -1.59 -0.44 0.00 -0.03 0.00 0.00 56.01 53.97 3nbt n LEU 32 Cb 0.41 -0.32 -0.04 0.00 -2.33 0.00 0.00 43.42 41.14 3nbt n LEU 32 CO 0.61 0.80 1.33 1.57 -1.33 0.00 0.00 177.39 180.37 3nbt n HIS 33 N 1.49 2.54 -1.02 -1.77 -0.00 -1.19 -1.50 115.22 113.76 3nbt n HIS 33 Ca 0.21 0.09 -0.01 0.00 0.46 0.00 0.00 57.72 58.47 3nbt n HIS 33 Cb 0.60 -2.64 -0.00 0.00 -0.12 0.00 0.00 29.99 27.83 3nbt n HIS 33 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 3nbt n GLY 34 N 3.84 0.44 0.26 1.57 0.00 -1.26 -4.96 105.19 105.08 3nbt n GLY 34 Ca 0.17 -0.98 -0.03 0.00 0.00 0.00 0.00 46.02 45.18 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 -0.68 -9.28 0.99 5.85 -1.65 -3.28 115.31 107.25 3nbt h LEU 35 Ca -0.02 0.18 -0.54 0.00 0.84 0.00 0.00 57.88 58.34 3nbt h LEU 35 Cb 0.05 0.40 -0.00 0.00 0.37 0.00 0.00 40.66 41.48 3nbt h LEU 35 CO 0.02 -0.23 1.13 -0.36 -0.34 0.00 0.00 178.44 178.66 3nbt s PHE 36 N -6.17 1.80 0.00 1.25 0.40 -1.26 -0.80 117.98 113.19 3nbt s PHE 36 Ca -0.14 0.04 0.00 0.00 -0.60 0.00 0.00 56.93 56.22 3nbt s PHE 36 Cb 0.17 -4.00 0.00 0.00 0.51 0.00 0.00 43.02 39.70 3nbt s PHE 36 CO 0.72 -4.27 0.00 0.41 0.70 0.00 0.00 175.22 172.78 3nbt n GLY 37 N 4.24 1.59 3.79 4.36 0.00 -0.04 -5.03 105.19 114.10 3nbt n GLY 37 Ca 0.18 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.80 4.52 0.17 1.61 3.52 0.01 -4.77 118.95 123.21 3nbt s ARG 38 Ca 0.00 1.23 -0.13 0.00 -0.13 0.00 0.00 55.73 56.70 3nbt s ARG 38 Cb 0.00 -2.84 -0.07 0.00 -1.56 0.00 0.00 34.95 30.48 3nbt s ARG 38 CO 0.00 0.32 0.54 0.21 -0.81 0.00 0.00 175.30 175.56 3nbt s LYS 39 N -1.99 3.91 0.29 5.12 2.20 -1.26 -0.98 119.74 127.03 3nbt s LYS 39 Ca 0.48 0.41 -0.27 0.00 -0.36 0.00 0.00 55.97 56.23 3nbt s LYS 39 Cb -0.18 -2.84 -0.15 0.00 -1.51 0.00 0.00 37.83 33.15 3nbt s LYS 39 CO 0.23 0.43 0.80 0.25 -0.36 0.00 0.00 175.35 176.70 3nbt n THR 40 N 0.52 1.97 -3.10 3.43 -2.24 -0.72 -2.52 114.28 111.61 3nbt n THR 40 Ca -0.04 -0.50 -0.23 0.00 -2.27 0.00 0.00 64.05 61.02 3nbt n THR 40 Cb 0.52 -0.65 0.04 0.00 -2.10 0.00 0.00 70.33 68.14 3nbt n THR 40 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3nbt n GLY 41 N 1.53 -0.53 0.14 3.38 0.00 -1.24 -4.77 105.19 103.71 3nbt n GLY 41 Ca 0.12 0.15 0.02 0.00 0.00 0.00 0.00 46.02 46.30 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 -4.15 0.05 -1.91 1.61 1.13 -1.05 -4.84 117.38 108.23 3nbt n GLN 42 Ca -0.10 -0.86 -0.42 0.00 -1.94 0.00 0.00 57.00 53.68 3nbt n GLN 42 Cb 0.61 -1.06 -0.03 0.00 0.11 0.00 0.00 30.24 29.87 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 -0.39 3.50 0.23 -1.58 0.00 -1.26 -4.91 121.76 117.34 3nbt s ALA 43 Ca 0.04 0.95 -0.31 0.00 0.00 0.00 0.00 51.96 52.64 3nbt s ALA 43 Cb 0.03 -3.81 -0.12 0.00 0.00 0.00 0.00 23.12 19.22 3nbt s ALA 43 CO 0.04 -1.62 1.69 -2.30 0.00 0.00 0.00 175.76 173.57 3nbt n PRO 44 N 7.42 2.75 -0.44 0.00 -0.02 -1.26 -2.93 135.00 140.52 3nbt n PRO 44 Ca 0.19 0.99 0.00 0.00 -2.02 0.00 0.00 63.50 62.66 3nbt n PRO 44 Cb 0.43 -2.82 0.00 0.00 -0.02 0.00 0.00 33.50 31.09 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 3.44 0.84 3.47 -1.23 0.00 -1.26 -5.05 105.19 105.41 3nbt n GLY 45 Ca 0.14 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.94 2.88 -0.38 1.61 5.36 -1.15 -5.06 117.98 118.29 3nbt s PHE 46 Ca 0.00 -0.33 -0.18 0.00 -0.96 0.00 0.00 56.93 55.45 3nbt s PHE 46 Cb 0.00 -1.81 0.01 0.00 -0.34 0.00 0.00 43.02 40.88 3nbt s PHE 46 CO 0.00 0.02 0.51 0.99 -1.46 0.00 0.00 175.22 175.28 3nbt s THR 47 N -0.07 5.00 0.59 0.12 2.01 -1.26 -4.90 115.64 117.13 3nbt s THR 47 Ca -0.01 0.13 0.01 0.00 0.31 0.00 0.00 61.69 62.13 3nbt s THR 47 Cb -0.14 -4.02 0.05 0.00 0.01 0.00 0.00 72.50 68.40 3nbt s THR 47 CO 0.03 -0.33 0.82 -0.31 -0.69 0.00 0.00 174.62 174.15 3nbt s TYR 48 N 2.41 2.60 0.62 4.92 2.02 -1.26 -5.08 117.35 123.58 3nbt s TYR 48 Ca 0.18 -0.06 -0.11 0.00 -0.37 0.00 0.00 57.07 56.71 3nbt s TYR 48 Cb -0.16 -2.81 -0.04 0.00 -0.40 0.00 0.00 41.96 38.56 3nbt s TYR 48 CO 0.14 -1.06 1.03 0.95 -1.57 0.00 0.00 175.55 175.05 3nbt s THR 49 N -2.85 4.67 0.42 -0.71 -4.23 -1.26 -4.83 115.64 106.85 3nbt s THR 49 Ca 0.59 0.87 0.08 0.00 -1.18 0.00 0.00 61.69 62.05 3nbt s THR 49 Cb -0.09 -3.85 0.26 0.00 1.34 0.00 0.00 72.50 70.15 3nbt s THR 49 CO 0.40 -1.13 2.06 0.44 -0.54 0.00 0.00 174.62 175.84 3nbt h ASP 50 N -0.34 0.39 0.93 3.99 3.45 -1.97 0.82 116.42 123.69 3nbt h ASP 50 Ca -0.44 -0.02 -0.05 0.00 0.43 0.00 0.00 57.03 56.96 3nbt h ASP 50 Cb 1.19 -0.10 0.01 0.00 -0.56 0.00 0.00 39.33 39.87 3nbt h ASP 50 CO 0.62 0.30 -0.45 0.00 -1.57 0.00 0.00 179.24 178.14 3nbt h ALA 51 N 1.77 -1.25 -0.72 3.45 0.00 -1.86 0.20 119.26 120.86 3nbt h ALA 51 Ca 0.12 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 3nbt h ALA 51 Cb -0.02 0.48 -0.03 0.00 0.00 0.00 0.00 17.79 18.22 3nbt h ALA 51 CO -0.02 -1.20 0.36 -0.97 0.00 0.00 0.00 179.25 177.42 3nbt h ASN 52 N -1.24 0.93 -0.06 0.00 -0.00 -1.83 -0.84 115.58 112.55 3nbt h ASN 52 Ca -0.13 -0.12 -0.03 0.00 -0.00 0.00 0.00 56.30 56.02 3nbt h ASN 52 Cb 0.95 -0.24 -0.01 0.00 -0.00 0.00 0.00 38.32 39.02 3nbt h ASN 52 CO 0.21 0.79 -0.03 0.50 -0.00 0.00 0.00 177.43 178.90 3nbt h LYS 53 N 1.00 0.24 -0.44 6.67 3.64 -0.71 -3.08 116.57 123.90 3nbt h LYS 53 Ca 0.25 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.59 3nbt h LYS 53 Cb 0.10 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 31.88 3nbt h LYS 53 CO -0.03 0.30 0.00 0.09 -2.27 0.00 0.00 179.45 177.53 3nbt n ASN 54 N -4.36 3.22 -0.29 4.20 3.02 0.70 -4.60 115.26 117.15 3nbt n ASN 54 Ca -0.00 -1.95 0.13 0.00 -0.03 0.00 0.00 54.58 52.73 3nbt n ASN 54 Cb 0.20 -0.29 0.38 0.00 -0.61 0.00 0.00 39.78 39.46 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 3.05 0.66 -0.61 3.52 1.63 -1.08 -3.46 116.57 120.28 3nbt h LYS 55 Ca 0.00 -0.04 -0.14 0.00 -0.85 0.00 0.00 60.65 59.62 3nbt h LYS 55 Cb 0.82 -0.15 -0.04 0.00 -0.60 0.00 0.00 32.23 32.26 3nbt h LYS 55 CO 0.00 0.44 -0.15 0.41 -3.45 0.00 0.00 179.45 176.70 3nbt n GLY 56 N -1.42 0.59 3.55 5.01 0.00 -1.26 -5.04 105.19 106.61 3nbt n GLY 56 Ca 0.19 -0.67 -0.25 0.00 0.00 0.00 0.00 46.02 45.29 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 -2.30 2.42 -0.19 -0.61 -5.25 -1.26 -4.99 121.20 109.01 3nbt s ILE 57 Ca 0.00 -2.19 -0.10 0.00 -0.99 0.00 0.00 60.65 57.38 3nbt s ILE 57 Cb 0.00 -2.61 -0.05 0.00 2.95 0.00 0.00 42.46 42.75 3nbt s ILE 57 CO 0.00 -0.25 0.12 -0.89 -1.79 0.00 0.00 174.94 172.14 3nbt s THR 58 N -2.56 5.36 -0.03 8.37 2.01 -1.26 -1.76 115.64 125.78 3nbt s THR 58 Ca 0.32 0.17 -0.30 0.00 0.31 0.00 0.00 61.69 62.19 3nbt s THR 58 Cb 0.00 -3.44 -0.05 0.00 0.01 0.00 0.00 72.50 69.02 3nbt s THR 58 CO 0.17 0.45 1.40 0.26 -0.69 0.00 0.00 174.62 176.21 3nbt s TRP 59 N 0.29 2.79 0.35 4.92 0.23 -0.15 -4.74 118.94 122.62 3nbt s TRP 59 Ca 0.08 0.80 -0.12 0.00 -2.03 0.00 0.00 56.10 54.83 3nbt s TRP 59 Cb -0.11 -3.66 0.03 0.00 0.03 0.00 0.00 33.47 29.76 3nbt s TRP 59 CO -0.02 -2.44 0.67 -1.59 0.96 0.00 0.00 176.95 174.54 3nbt s LYS 60 N 2.67 2.06 0.16 4.98 -2.85 -1.26 -0.86 119.74 124.63 3nbt s LYS 60 Ca 0.63 -1.49 -0.19 0.00 -1.00 0.00 0.00 55.97 53.93 3nbt s LYS 60 Cb -0.30 0.56 0.08 0.00 -2.06 0.00 0.00 37.83 36.11 3nbt s LYS 60 CO 0.25 -0.92 1.65 0.93 0.10 0.00 0.00 175.35 177.36 3nbt h GLU 61 N 2.05 -0.08 0.08 1.78 5.08 -1.98 0.33 114.58 121.85 3nbt h GLU 61 Ca -0.29 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.07 3nbt h GLU 61 Cb 1.25 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.51 3nbt h GLU 61 CO 0.38 -0.05 -0.08 1.49 -1.00 0.00 0.00 179.01 179.75 3nbt h GLU 62 N -0.08 -0.17 -0.40 2.33 4.81 -1.97 0.17 114.58 119.27 3nbt h GLU 62 Ca 0.18 0.01 -0.12 0.00 -0.13 0.00 0.00 59.36 59.30 3nbt h GLU 62 Cb 0.35 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.75 3nbt h GLU 62 CO -0.41 -0.11 -0.22 1.79 -0.73 0.00 0.00 179.01 179.33 3nbt h THR 63 N -0.18 1.27 -0.65 0.32 1.35 -1.79 -2.52 112.91 110.71 3nbt h THR 63 Ca 0.00 -1.34 -0.07 0.00 -0.55 0.00 0.00 66.41 64.45 3nbt h THR 63 Cb 0.17 1.20 -0.03 0.00 -1.73 0.00 0.00 68.15 67.76 3nbt h THR 63 CO -0.02 0.45 0.14 -0.07 -0.25 0.00 0.00 175.52 175.77 3nbt h LEU 64 N 0.70 1.00 -1.06 3.87 3.38 -0.18 0.51 115.31 123.52 3nbt h LEU 64 Ca 0.10 -0.24 0.01 0.00 0.09 0.00 0.00 57.88 57.83 3nbt h LEU 64 Cb 0.74 -0.26 -0.05 0.00 0.09 0.00 0.00 40.66 41.18 3nbt h LEU 64 CO 0.06 0.98 0.61 0.24 0.09 0.00 0.00 178.44 180.42 3nbt h MET 65 N 0.97 1.24 -0.01 1.13 2.86 -0.46 -0.27 114.93 120.38 3nbt h MET 65 Ca 0.20 -0.08 -0.17 0.00 -2.06 0.00 0.00 59.70 57.59 3nbt h MET 65 Cb 0.38 -0.27 0.01 0.00 0.06 0.00 0.00 31.60 31.78 3nbt h MET 65 CO 0.01 0.83 -0.64 1.49 1.06 0.00 0.00 176.91 179.65 3nbt h GLU 66 N 1.27 0.45 -0.04 1.72 4.81 -1.11 -3.19 114.58 118.48 3nbt h GLU 66 Ca 0.34 -0.47 -0.00 0.00 -0.13 0.00 0.00 59.36 59.10 3nbt h GLU 66 Cb -0.13 0.13 -0.00 0.00 0.63 0.00 0.00 28.75 29.38 3nbt h GLU 66 CO -0.07 1.12 0.02 -0.92 -0.73 0.00 0.00 179.01 178.43 3nbt h TYR 67 N -0.04 0.07 0.00 0.92 3.20 -0.72 -2.96 116.97 117.44 3nbt h TYR 67 Ca -0.08 -0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.78 3nbt h TYR 67 Cb 1.34 -0.02 -0.00 0.00 1.54 0.00 0.00 36.73 39.59 3nbt h TYR 67 CO 0.14 0.18 -0.04 -0.07 -1.64 0.00 0.00 178.16 176.73 3nbt h LEU 68 N -0.07 0.00 -0.49 2.82 -0.00 -1.17 -0.13 115.31 116.27 3nbt h LEU 68 Ca 0.01 0.00 -0.12 0.00 -0.00 0.00 0.00 57.88 57.78 3nbt h LEU 68 Cb 0.14 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 40.78 3nbt h LEU 68 CO -0.00 0.04 -0.16 -0.08 -0.00 0.00 0.00 178.44 178.24 3nbt h GLU 69 N 0.00 0.98 -0.93 1.13 4.81 -1.50 -3.41 114.58 115.65 3nbt h GLU 69 Ca -0.00 -0.39 -0.06 0.00 -0.13 0.00 0.00 59.36 58.77 3nbt h GLU 69 Cb 0.16 -0.05 -0.18 0.00 0.63 0.00 0.00 28.75 29.31 3nbt h GLU 69 CO 0.01 1.06 -0.43 1.21 -0.73 0.00 0.00 179.01 180.13 3nbt s ASN 70 N -6.64 -1.42 0.20 1.04 3.84 -0.62 -5.05 114.94 106.29 3nbt s ASN 70 Ca -0.12 -0.93 -0.12 0.00 0.21 0.00 0.00 52.86 51.91 3nbt s ASN 70 Cb 0.12 1.82 0.26 0.00 -0.55 0.00 0.00 41.25 42.90 3nbt s ASN 70 CO 0.86 -0.13 1.67 -0.65 -2.79 0.00 0.00 177.10 176.06 3nbt h PRO 71 N 6.44 0.12 -0.62 0.43 0.11 -1.31 -1.62 132.00 135.56 3nbt h PRO 71 Ca 0.05 -0.01 0.04 0.00 0.11 0.00 0.00 66.00 66.19 3nbt h PRO 71 Cb 1.17 -0.03 -0.05 0.00 0.11 0.00 0.00 31.00 32.21 3nbt h PRO 71 CO 0.07 0.08 0.36 0.87 -0.21 0.00 0.00 178.00 179.16 3nbt h LYS 72 N 0.13 0.66 -0.31 1.05 6.56 -1.87 0.24 116.57 123.03 3nbt h LYS 72 Ca 0.30 -0.04 -0.10 0.00 -1.06 0.00 0.00 60.65 59.75 3nbt h LYS 72 Cb 0.47 -0.15 -0.01 0.00 -0.57 0.00 0.00 32.23 31.97 3nbt h LYS 72 CO -0.48 0.44 -0.18 -0.22 -2.06 0.00 0.00 179.45 176.95 3nbt h LYS 73 N 0.68 0.67 -0.48 3.15 3.64 -1.79 -1.81 116.57 120.63 3nbt h LYS 73 Ca 0.26 -0.31 -0.12 0.00 -1.27 0.00 0.00 60.65 59.22 3nbt h LYS 73 Cb 0.10 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 31.89 3nbt h LYS 73 CO -0.14 0.91 -0.16 -0.92 -2.27 0.00 0.00 179.45 176.86 3nbt h TYR 74 N 0.43 1.08 -2.61 1.91 3.20 -1.05 -3.37 116.97 116.58 3nbt h TYR 74 Ca 0.07 -0.25 -0.60 0.00 3.14 0.00 0.00 58.73 61.09 3nbt h TYR 74 Cb 0.72 -0.26 -0.40 0.00 1.54 0.00 0.00 36.73 38.33 3nbt h TYR 74 CO 0.06 1.05 -0.79 -0.89 -1.64 0.00 0.00 178.16 175.96 3nbt n ILE 75 N -4.18 0.34 -1.61 1.81 5.41 0.82 -5.09 119.36 116.86 3nbt n ILE 75 Ca 0.00 -4.24 -0.47 0.00 1.00 0.00 0.00 62.75 59.03 3nbt n ILE 75 Cb 0.42 -1.94 -0.04 0.00 -0.71 0.00 0.00 39.64 37.38 3nbt n ILE 75 CO 0.00 0.00 0.00 -2.65 0.00 0.00 0.00 176.55 173.90 3nbt n PRO 76 N 2.15 1.49 -0.03 0.38 -0.02 -0.69 -1.31 135.00 136.97 3nbt n PRO 76 Ca 0.25 0.53 0.00 0.00 -2.02 0.00 0.00 63.50 62.26 3nbt n PRO 76 Cb 0.42 -2.09 0.00 0.00 -0.02 0.00 0.00 33.50 31.81 3nbt n PRO 76 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3nbt n GLY 77 N 2.10 0.82 3.77 -1.23 0.00 -1.26 -4.78 105.19 104.61 3nbt n GLY 77 Ca 0.14 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.31 3.16 -0.10 2.61 -1.32 -0.43 -4.78 115.64 112.46 3nbt s THR 78 Ca 0.00 1.08 0.02 0.00 -1.21 0.00 0.00 61.69 61.58 3nbt s THR 78 Cb 0.00 -3.65 -0.01 0.00 -1.51 0.00 0.00 72.50 67.32 3nbt s THR 78 CO 0.00 0.19 -0.18 -0.54 -2.21 0.00 0.00 174.62 171.89 3nbt s LYS 79 N -1.90 3.11 0.20 7.08 -0.14 -1.26 -4.91 119.74 121.91 3nbt s LYS 79 Ca 0.51 -0.77 0.21 0.00 -1.36 0.00 0.00 55.97 54.56 3nbt s LYS 79 Cb -0.33 -2.46 0.00 0.00 -1.68 0.00 0.00 37.83 33.36 3nbt s LYS 79 CO 0.43 0.26 1.06 0.52 -0.76 0.00 0.00 175.35 176.86 3nbt h MET 80 N 6.49 0.00 -4.91 1.68 2.86 -1.98 -3.48 114.93 115.59 3nbt h MET 80 Ca -0.26 0.00 -0.35 0.00 -2.06 0.00 0.00 59.70 57.02 3nbt h MET 80 Cb 1.21 0.00 -0.14 0.00 0.06 0.00 0.00 31.60 32.73 3nbt h MET 80 CO 0.52 0.08 -0.62 0.96 1.06 0.00 0.00 176.91 178.90 3nbt s ILE 81 N -3.24 0.64 -0.47 -1.22 -4.36 -1.26 -4.84 121.20 106.45 3nbt s ILE 81 Ca -0.00 -2.00 -0.46 0.00 -0.26 0.00 0.00 60.65 57.92 3nbt s ILE 81 Cb 0.09 -2.58 -0.20 0.00 1.25 0.00 0.00 42.46 41.02 3nbt s ILE 81 CO 0.78 -0.06 1.59 0.33 0.24 0.00 0.00 174.94 177.82 3nbt n PHE 82 N -0.46 1.74 -0.63 1.37 7.35 -1.26 -4.82 117.46 120.75 3nbt n PHE 82 Ca -0.01 1.12 0.00 0.00 -0.76 0.00 0.00 57.45 57.80 3nbt n PHE 82 Cb 0.66 -2.24 0.00 0.00 0.35 0.00 0.00 39.48 38.25 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 3.98 1.32 0.00 3.13 0.00 -1.26 -5.12 120.51 122.56 3nbt n ALA 83 Ca 0.30 -0.62 0.00 0.00 0.00 0.00 0.00 53.44 53.12 3nbt n ALA 83 Cb -0.05 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.40 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 -0.16 2.98 3.05 0.00 0.00 -1.26 -5.06 105.19 104.74 3nbt n GLY 84 Ca 0.00 -1.93 -0.32 0.00 0.00 0.00 0.00 46.02 43.78 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 -2.06 1.92 0.03 -0.61 1.01 -1.26 -5.03 121.20 115.20 3nbt s ILE 85 Ca 0.00 -1.19 -0.22 0.00 0.00 0.00 0.00 60.65 59.24 3nbt s ILE 85 Cb 0.00 -1.94 -0.15 0.00 0.01 0.00 0.00 42.46 40.38 3nbt s ILE 85 CO 0.00 0.20 1.35 0.50 0.00 0.00 0.00 174.94 177.00 3nbt h LYS 86 N 7.90 0.25 -6.23 2.79 3.64 -1.97 -3.44 116.57 119.51 3nbt h LYS 86 Ca -0.30 -0.12 -0.56 0.00 -1.27 0.00 0.00 60.65 58.41 3nbt h LYS 86 Cb 1.09 -0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.89 3nbt h LYS 86 CO 0.51 0.63 1.04 0.15 -2.27 0.00 0.00 179.45 179.51 3nbt s LYS 87 N -4.43 4.13 0.17 1.90 1.02 -1.26 -4.93 119.74 116.34 3nbt s LYS 87 Ca -0.15 1.94 -0.16 0.00 0.02 0.00 0.00 55.97 57.62 3nbt s LYS 87 Cb 0.04 -3.93 0.11 0.00 -0.52 0.00 0.00 37.83 33.53 3nbt s LYS 87 CO 0.73 -0.88 1.69 -0.22 -0.92 0.00 0.00 175.35 175.75 3nbt h LYS 88 N 9.31 0.06 -0.06 1.68 3.64 -2.00 -0.36 116.57 128.84 3nbt h LYS 88 Ca -0.34 -0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.00 3nbt h LYS 88 Cb 1.15 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.95 3nbt h LYS 88 CO 0.97 0.04 -0.11 1.79 -2.27 0.00 0.00 179.45 179.86 3nbt h THR 89 N 0.06 1.12 -0.64 1.00 1.35 -1.99 -0.91 112.91 112.90 3nbt h THR 89 Ca 0.19 -0.52 -0.06 0.00 -0.55 0.00 0.00 66.41 65.47 3nbt h THR 89 Cb 0.29 1.20 -0.03 0.00 -1.73 0.00 0.00 68.15 67.88 3nbt h THR 89 CO -0.36 0.16 0.17 -0.08 -0.25 0.00 0.00 175.52 175.16 3nbt h GLU 90 N 0.08 1.01 -0.27 4.72 4.81 -1.49 -1.43 114.58 122.01 3nbt h GLU 90 Ca 0.02 -0.23 -0.15 0.00 -0.13 0.00 0.00 59.36 58.87 3nbt h GLU 90 Cb 0.25 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.49 3nbt h GLU 90 CO 0.02 0.90 -0.42 0.00 -0.73 0.00 0.00 179.01 178.78 3nbt h ARG 91 N 0.93 0.68 -0.40 1.92 3.08 -0.48 -1.90 114.38 118.22 3nbt h ARG 91 Ca 0.20 -0.36 -0.01 0.00 0.07 0.00 0.00 59.98 59.88 3nbt h ARG 91 Cb 0.34 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.38 3nbt h ARG 91 CO -0.00 0.97 0.20 0.93 -1.07 0.00 0.00 179.97 181.00 3nbt h GLU 92 N 0.55 0.57 -0.08 0.04 5.08 -0.91 -0.56 114.58 119.27 3nbt h GLU 92 Ca 0.04 -0.08 -0.01 0.00 -1.00 0.00 0.00 59.36 58.31 3nbt h GLU 92 Cb 0.96 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 30.10 3nbt h GLU 92 CO 0.09 0.50 0.03 -0.44 -1.00 0.00 0.00 179.01 178.18 3nbt h ASP 93 N 0.51 0.12 -0.46 1.42 3.45 -1.22 -0.87 116.42 119.37 3nbt h ASP 93 Ca 0.14 -0.20 0.07 0.00 0.43 0.00 0.00 57.03 57.47 3nbt h ASP 93 Cb 0.11 -0.03 -0.06 0.00 -0.56 0.00 0.00 39.33 38.79 3nbt h ASP 93 CO -0.02 0.28 0.10 0.25 -1.57 0.00 0.00 179.24 178.28 3nbt h LEU 94 N -0.05 0.03 -0.90 1.55 5.85 -1.18 -0.70 115.31 119.91 3nbt h LEU 94 Ca 0.03 0.08 -0.07 0.00 0.84 0.00 0.00 57.88 58.75 3nbt h LEU 94 Cb 0.21 0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.31 3nbt h LEU 94 CO -0.00 0.05 0.04 0.40 -0.34 0.00 0.00 178.44 178.58 3nbt h ILE 95 N 0.24 1.24 -0.32 4.05 2.04 -0.98 0.24 117.51 124.03 3nbt h ILE 95 Ca 0.22 -0.98 0.00 0.00 1.00 0.00 0.00 64.86 65.11 3nbt h ILE 95 Cb 0.28 0.80 -0.02 0.00 -0.74 0.00 0.00 36.82 37.15 3nbt h ILE 95 CO -0.28 0.35 0.21 0.00 0.00 0.00 0.00 178.15 178.43 3nbt h ALA 96 N 1.24 0.40 0.23 1.87 0.00 -0.36 0.50 119.26 123.14 3nbt h ALA 96 Ca 0.16 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 3nbt h ALA 96 Cb 0.43 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.09 3nbt h ALA 96 CO 0.02 -0.13 -0.11 -0.92 0.00 0.00 0.00 179.25 178.10 3nbt h TYR 97 N 0.43 -0.29 -0.95 0.00 3.20 -0.59 -2.20 116.97 116.57 3nbt h TYR 97 Ca 0.12 -0.01 0.10 0.00 3.14 0.00 0.00 58.73 62.08 3nbt h TYR 97 Cb -0.05 0.09 -0.08 0.00 1.54 0.00 0.00 36.73 38.24 3nbt h TYR 97 CO -0.05 -0.16 0.59 -0.07 -1.64 0.00 0.00 178.16 176.83 3nbt h LEU 98 N -0.34 0.88 -1.15 2.82 3.38 -0.11 0.18 115.31 120.96 3nbt h LEU 98 Ca -0.03 0.04 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 3nbt h LEU 98 Cb 0.26 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 40.84 3nbt h LEU 98 CO 0.05 0.49 0.41 0.50 0.09 0.00 0.00 178.44 179.98 3nbt h LYS 99 N 0.97 1.00 0.12 1.13 3.64 0.30 -1.05 116.57 122.67 3nbt h LYS 99 Ca 0.46 -0.10 -0.01 0.00 -1.27 0.00 0.00 60.65 59.73 3nbt h LYS 99 Cb 0.40 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 32.02 3nbt h LYS 99 CO -0.25 0.72 -0.06 -0.22 -2.27 0.00 0.00 179.45 177.38 3nbt h LYS 100 N 1.01 -0.16 -0.59 1.90 1.63 -0.54 -3.35 116.57 116.47 3nbt h LYS 100 Ca 0.26 0.01 0.10 0.00 -0.85 0.00 0.00 60.65 60.17 3nbt h LYS 100 Cb 0.00 0.04 -0.04 0.00 -0.60 0.00 0.00 32.23 31.63 3nbt h LYS 100 CO -0.04 -0.10 0.40 0.00 -3.45 0.00 0.00 179.45 176.25 3nbt h ALA 101 N -1.44 2.05 -0.19 5.00 0.00 -0.76 -1.32 119.26 122.61 3nbt h ALA 101 Ca -0.02 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3nbt h ALA 101 Cb 0.12 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.84 3nbt h ALA 101 CO 0.03 -0.19 0.00 0.25 0.00 0.00 0.00 179.25 179.34 3nbt n THR 102 N -4.47 0.25 -0.67 0.00 -2.24 -0.40 -3.62 114.28 103.14 3nbt n THR 102 Ca 0.10 -0.26 0.00 0.00 -2.27 0.00 0.00 64.05 61.62 3nbt n THR 102 Cb 0.39 0.13 0.00 0.00 -2.10 0.00 0.00 70.33 68.75 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 0.05 0.41 -0.51 3.42 5.15 -0.54 -5.06 115.26 118.18 3nbt n ASN 103 Ca 0.08 -1.07 0.06 0.00 -0.60 0.00 0.00 54.58 53.05 3nbt n ASN 103 Cb 0.18 0.00 0.05 0.00 -0.53 0.00 0.00 39.78 39.48 3nbt n ASN 103 CO 0.00 0.00 0.00 -1.84 1.40 0.00 0.00 177.26 176.82