#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2b4z s ASP 2 N 0.00 6.42 0.26 1.61 -1.08 -1.26 -4.85 116.67 117.77 2b4z s ASP 2 Ca 0.00 -0.10 -0.02 0.00 -0.52 0.00 0.00 52.55 51.91 2b4z s ASP 2 Cb 0.00 -2.41 0.45 0.00 -1.46 0.00 0.00 42.92 39.50 2b4z s ASP 2 CO 0.00 -1.00 1.84 0.58 0.52 0.00 0.00 175.17 177.11 2b4z h VAL 3 N 6.01 0.96 -0.41 1.11 2.07 -1.89 -1.18 116.25 122.92 2b4z h VAL 3 Ca -0.25 -0.33 -0.12 0.00 0.82 0.00 0.00 66.70 66.83 2b4z h VAL 3 Cb 1.08 -0.09 -0.01 0.00 -1.52 0.00 0.00 31.29 30.75 2b4z h VAL 3 CO 1.00 0.18 -0.21 -0.33 0.02 0.00 0.00 177.57 178.22 2b4z h GLU 4 N 0.96 0.82 -0.25 1.57 4.39 -1.92 -0.99 114.58 119.16 2b4z h GLU 4 Ca 0.44 -0.33 -0.12 0.00 0.34 0.00 0.00 59.36 59.69 2b4z h GLU 4 Cb 0.36 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 28.96 2b4z h GLU 4 CO -0.23 0.96 -0.34 0.87 -1.16 0.00 0.00 179.01 179.10 2b4z h LYS 5 N 0.72 0.55 -0.10 2.33 1.57 -1.79 -2.81 116.57 117.04 2b4z h LYS 5 Ca 0.10 -0.25 -0.09 0.00 -1.87 0.00 0.00 60.65 58.53 2b4z h LYS 5 Cb 0.74 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.03 2b4z h LYS 5 CO 0.06 0.82 -0.36 0.78 -0.57 0.00 0.00 179.45 180.18 2b4z h GLY 6 N 1.05 0.23 1.00 3.86 0.00 -0.89 -2.44 103.07 105.88 2b4z h GLY 6 Ca 0.05 -0.20 -0.05 0.00 0.00 0.00 0.00 47.33 47.13 2b4z h GLY 6 CO 0.07 0.18 0.16 1.70 0.00 0.00 0.00 176.54 178.65 2b4z h LYS 7 N 0.18 0.88 -0.62 4.80 3.64 -0.94 -0.16 116.57 124.36 2b4z h LYS 7 Ca 0.02 -0.20 -0.02 0.00 -1.27 0.00 0.00 60.65 59.18 2b4z h LYS 7 Cb 0.72 -0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 32.39 2b4z h LYS 7 CO 0.05 0.80 0.29 -0.22 -2.27 0.00 0.00 179.45 178.11 2b4z h LYS 8 N 0.79 0.90 -0.59 1.90 3.64 -1.32 -1.15 116.57 120.74 2b4z h LYS 8 Ca 0.18 -0.14 -0.05 0.00 -1.27 0.00 0.00 60.65 59.37 2b4z h LYS 8 Cb 0.30 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 31.94 2b4z h LYS 8 CO -0.00 0.72 0.17 0.82 -2.27 0.00 0.00 179.45 178.90 2b4z h ILE 9 N 0.85 1.24 0.02 2.00 2.04 -1.15 -1.92 117.51 120.59 2b4z h ILE 9 Ca 0.21 -0.84 -0.00 0.00 1.00 0.00 0.00 64.86 65.23 2b4z h ILE 9 Cb 0.13 0.67 0.00 0.00 -0.74 0.00 0.00 36.82 36.88 2b4z h ILE 9 CO -0.03 0.32 -0.01 0.15 0.00 0.00 0.00 178.15 178.58 2b4z h PHE 10 N 0.84 -0.02 0.00 1.37 3.57 -0.64 0.59 116.94 122.65 2b4z h PHE 10 Ca 0.19 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.68 2b4z h PHE 10 Cb 0.30 0.01 -0.00 0.00 2.79 0.00 0.00 35.95 39.05 2b4z h PHE 10 CO 0.02 0.13 -0.05 -0.39 -2.23 0.00 0.00 178.31 175.79 2b4z h VAL 11 N -0.16 0.20 0.06 1.41 -1.51 -1.16 0.33 116.25 115.41 2b4z h VAL 11 Ca -0.00 -0.41 -0.33 0.00 -1.23 0.00 0.00 66.70 64.73 2b4z h VAL 11 Cb 0.15 1.34 -0.04 0.00 -2.13 0.00 0.00 31.29 30.62 2b4z h VAL 11 CO 0.00 0.05 -1.85 1.67 -1.23 0.00 0.00 177.57 176.21 2b4z n GLN 12 N -3.26 0.69 0.00 5.19 7.27 -0.73 -4.48 117.38 122.06 2b4z n GLN 12 Ca -0.01 0.28 0.01 0.00 0.07 0.00 0.00 57.00 57.35 2b4z n GLN 12 Cb 0.23 -1.75 -0.01 0.00 2.41 0.00 0.00 30.24 31.12 2b4z n GLN 12 CO 0.00 0.00 0.00 1.63 0.07 0.00 0.00 177.06 178.76 2b4z n LYS 13 N -3.24 5.59 0.00 3.69 5.02 0.17 -4.90 118.16 124.50 2b4z n LYS 13 Ca -0.24 -0.07 0.00 0.00 -2.02 0.00 0.00 58.31 55.98 2b4z n LYS 13 Cb 1.05 -0.64 0.00 0.00 -0.02 0.00 0.00 35.03 35.42 2b4z n LYS 13 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2b4z h ALA 15 N 0.00 2.62 0.00 0.00 0.00 -1.25 -0.43 119.26 120.20 2b4z h ALA 15 Ca 0.00 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.94 2b4z h ALA 15 Cb 0.78 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.65 2b4z h ALA 15 CO 0.00 -1.04 0.00 -0.56 0.00 0.00 0.00 179.25 177.65 2b4z h GLN 16 N 0.22 0.00 0.00 0.00 -0.00 -1.86 -3.02 115.11 110.45 2b4z h GLN 16 Ca 0.63 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 59.28 2b4z h GLN 16 Cb 1.95 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 29.43 2b4z h GLN 16 CO -0.22 0.00 -0.14 0.00 -0.00 0.00 0.00 178.83 178.47 2b4z s HIS 18 N -1.00 0.35 0.14 0.00 3.76 -0.69 -0.98 115.29 116.87 2b4z s HIS 18 Ca 0.00 -0.06 0.05 0.00 -0.15 0.00 0.00 55.06 54.90 2b4z s HIS 18 Cb 0.00 -0.24 -0.04 0.00 1.11 0.00 0.00 32.58 33.41 2b4z s HIS 18 CO 0.00 -0.01 0.06 0.95 -0.85 0.00 0.00 174.74 174.89 2b4z s THR 19 N -0.04 4.19 -0.03 1.30 -4.23 -1.26 -4.29 115.64 111.27 2b4z s THR 19 Ca 0.01 -1.10 0.06 0.00 -1.18 0.00 0.00 61.69 59.47 2b4z s THR 19 Cb -0.02 -3.08 -0.09 0.00 1.34 0.00 0.00 72.50 70.65 2b4z s THR 19 CO -0.00 -0.02 0.14 1.33 -0.54 0.00 0.00 174.62 175.53 2b4z n VAL 20 N 0.04 0.00 -1.85 2.29 0.24 -1.26 -0.86 118.33 116.92 2b4z n VAL 20 Ca -0.09 -0.16 -0.31 0.00 -2.04 0.00 0.00 64.34 61.73 2b4z n VAL 20 Cb 0.54 0.42 0.02 0.00 -1.47 0.00 0.00 33.84 33.35 2b4z n VAL 20 CO 0.00 0.00 0.00 -1.83 -2.14 0.00 0.00 176.83 172.86 2b4z s GLU 21 N -2.33 3.31 0.18 7.34 1.03 -1.26 -3.15 118.70 123.81 2b4z s GLU 21 Ca -0.02 0.95 -0.32 0.00 0.03 0.00 0.00 54.97 55.62 2b4z s GLU 21 Cb 0.04 -2.04 -0.11 0.00 -0.80 0.00 0.00 34.13 31.22 2b4z s GLU 21 CO 0.25 -0.80 1.63 0.21 -1.33 0.00 0.00 175.26 175.22 2b4z s LYS 22 N -4.76 4.18 0.00 -4.83 2.20 -1.26 -1.22 119.74 114.05 2b4z s LYS 22 Ca 0.58 2.46 0.00 0.00 -0.36 0.00 0.00 55.97 58.66 2b4z s LYS 22 Cb -0.13 -3.12 0.00 0.00 -1.51 0.00 0.00 37.83 33.07 2b4z s LYS 22 CO 0.48 -0.67 0.00 0.41 -0.36 0.00 0.00 175.35 175.21 2b4z n GLY 23 N 3.83 1.77 3.72 5.54 0.00 -1.26 -5.00 105.19 113.79 2b4z n GLY 23 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 2b4z n GLY 23 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2b4z n GLY 24 N -2.00 0.85 3.76 -0.02 0.00 -0.36 -4.94 105.19 102.50 2b4z n GLY 24 Ca 0.00 0.36 -0.33 0.00 0.00 0.00 0.00 46.02 46.05 2b4z n GLY 24 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2b4z s LYS 25 N -1.57 2.71 0.43 1.61 -2.85 -1.26 -4.70 119.74 114.11 2b4z s LYS 25 Ca 0.58 1.43 -0.18 0.00 -1.00 0.00 0.00 55.97 56.79 2b4z s LYS 25 Cb -0.55 -1.94 -0.10 0.00 -2.06 0.00 0.00 37.83 33.19 2b4z s LYS 25 CO 0.59 -1.32 0.92 -1.01 0.10 0.00 0.00 175.35 174.63 2b4z s HIS 26 N -2.30 3.36 0.00 1.78 3.76 -1.26 -4.39 115.29 116.24 2b4z s HIS 26 Ca 0.68 1.49 0.00 0.00 -0.15 0.00 0.00 55.06 57.07 2b4z s HIS 26 Cb -0.21 -2.77 0.00 0.00 1.11 0.00 0.00 32.58 30.71 2b4z s HIS 26 CO 0.42 -0.14 0.00 1.63 -0.85 0.00 0.00 174.74 175.80 2b4z n LYS 27 N -0.86 0.44 -0.20 1.40 5.02 -1.26 -4.96 118.16 117.74 2b4z n LYS 27 Ca 0.06 0.00 -0.02 0.00 -2.02 0.00 0.00 58.31 56.33 2b4z n LYS 27 Cb 0.54 0.00 0.18 0.00 -0.02 0.00 0.00 35.03 35.73 2b4z n LYS 27 CO 0.00 0.00 0.00 1.15 -0.52 0.00 0.00 177.40 178.03 2b4z h THR 28 N 0.00 1.22 -1.87 -0.18 2.02 -1.83 -3.43 112.91 108.84 2b4z h THR 28 Ca 0.00 -0.66 -0.54 0.00 0.77 0.00 0.00 66.41 65.98 2b4z h THR 28 Cb 0.00 0.37 -0.07 0.00 -1.74 0.00 0.00 68.15 66.70 2b4z h THR 28 CO 0.00 0.27 -0.53 -0.83 0.37 0.00 0.00 175.52 174.80 2b4z s GLY 29 N -3.47 1.95 0.58 2.16 0.00 -0.15 -5.08 107.32 103.32 2b4z s GLY 29 Ca -0.11 -1.83 -0.17 0.00 0.00 0.00 0.00 44.72 42.61 2b4z s GLY 29 CO 0.80 -1.75 1.09 2.56 0.00 0.00 0.00 173.10 175.80 2b4z s PRO 30 N -3.85 3.24 0.44 2.90 0.04 -1.26 -4.64 135.00 131.86 2b4z s PRO 30 Ca 0.38 1.39 -0.25 0.00 0.04 0.00 0.00 61.00 62.56 2b4z s PRO 30 Cb -0.03 -2.01 -0.08 0.00 0.04 0.00 0.00 34.50 32.42 2b4z s PRO 30 CO 0.23 -0.90 1.35 1.21 0.04 0.00 0.00 177.00 178.93 2b4z s ASN 31 N -2.34 6.06 0.00 6.66 3.84 -1.26 -4.44 114.94 123.45 2b4z s ASN 31 Ca 0.68 2.76 0.18 0.00 0.21 0.00 0.00 52.86 56.68 2b4z s ASN 31 Cb -0.19 -2.64 0.42 0.00 -0.55 0.00 0.00 41.25 38.29 2b4z s ASN 31 CO 0.33 -1.03 1.35 0.18 -2.79 0.00 0.00 177.10 175.13 2b4z n LEU 32 N -0.10 3.31 -4.73 3.21 4.77 -0.04 -4.93 117.00 118.48 2b4z n LEU 32 Ca 0.05 -1.76 -0.42 0.00 -0.03 0.00 0.00 56.01 53.85 2b4z n LEU 32 Cb 0.43 -0.29 -0.02 0.00 -2.33 0.00 0.00 43.42 41.20 2b4z n LEU 32 CO 0.57 0.78 1.28 -2.28 -1.33 0.00 0.00 177.39 176.40 2b4z s HIS 33 N -1.13 2.88 0.00 -1.77 2.46 -1.19 -1.75 115.29 114.79 2b4z s HIS 33 Ca 0.35 0.61 0.00 0.00 0.47 0.00 0.00 55.06 56.49 2b4z s HIS 33 Cb 0.19 -4.05 0.00 0.00 -0.13 0.00 0.00 32.58 28.59 2b4z s HIS 33 CO 0.26 -3.76 0.00 0.41 -2.47 0.00 0.00 174.74 169.18 2b4z n GLY 34 N 3.08 0.50 0.25 1.59 0.00 0.08 -4.97 105.19 105.73 2b4z n GLY 34 Ca 0.12 -0.27 -0.07 0.00 0.00 0.00 0.00 46.02 45.80 2b4z n GLY 34 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2b4z h LEU 35 N 0.00 -0.70 -9.39 0.99 5.85 -1.55 -3.38 115.31 107.14 2b4z h LEU 35 Ca 0.00 0.14 -0.54 0.00 0.84 0.00 0.00 57.88 58.32 2b4z h LEU 35 Cb 0.00 0.35 0.01 0.00 0.37 0.00 0.00 40.66 41.39 2b4z h LEU 35 CO 0.00 -0.25 1.04 -0.36 -0.34 0.00 0.00 178.44 178.53 2b4z s PHE 36 N -6.11 2.21 0.00 1.25 0.40 -1.26 -1.94 117.98 112.53 2b4z s PHE 36 Ca -0.15 0.23 0.00 0.00 -0.60 0.00 0.00 56.93 56.42 2b4z s PHE 36 Cb 0.13 -3.96 0.00 0.00 0.51 0.00 0.00 43.02 39.69 2b4z s PHE 36 CO 0.69 -3.96 0.00 0.41 0.70 0.00 0.00 175.22 173.06 2b4z n GLY 37 N 4.07 0.56 3.75 4.36 0.00 0.11 -5.02 105.19 113.02 2b4z n GLY 37 Ca 0.16 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.86 2b4z n GLY 37 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2b4z s ARG 38 N -0.82 2.92 0.78 1.61 3.52 -0.82 -4.85 118.95 121.28 2b4z s ARG 38 Ca 0.00 -0.59 -0.11 0.00 -0.13 0.00 0.00 55.73 54.90 2b4z s ARG 38 Cb 0.00 -2.76 0.06 0.00 -1.56 0.00 0.00 34.95 30.69 2b4z s ARG 38 CO 0.00 0.61 1.09 0.15 -0.81 0.00 0.00 175.30 176.34 2b4z s LYS 39 N -1.90 2.23 0.50 5.12 -0.14 -1.26 -0.93 119.74 123.36 2b4z s LYS 39 Ca 0.24 0.81 -0.23 0.00 -1.36 0.00 0.00 55.97 55.43 2b4z s LYS 39 Cb -0.12 -1.92 -0.06 0.00 -1.68 0.00 0.00 37.83 34.05 2b4z s LYS 39 CO 0.15 -1.56 1.33 0.95 -0.76 0.00 0.00 175.35 175.46 2b4z s THR 40 N -3.07 2.29 -1.41 2.17 -4.23 -0.85 -3.66 115.64 106.88 2b4z s THR 40 Ca 0.60 0.23 -0.10 0.00 -1.18 0.00 0.00 61.69 61.24 2b4z s THR 40 Cb -0.15 -3.12 0.03 0.00 1.34 0.00 0.00 72.50 70.60 2b4z s THR 40 CO 0.55 0.01 1.11 0.61 -0.54 0.00 0.00 174.62 176.36 2b4z n GLY 41 N 0.65 -0.52 0.21 3.99 0.00 -1.25 -4.60 105.19 103.66 2b4z n GLY 41 Ca 0.08 0.23 0.02 0.00 0.00 0.00 0.00 46.02 46.36 2b4z n GLY 41 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2b4z n GLN 42 N -4.87 0.14 -2.10 1.61 1.13 -1.24 -4.79 117.38 107.26 2b4z n GLN 42 Ca 0.00 -0.93 -0.42 0.00 -1.94 0.00 0.00 57.00 53.72 2b4z n GLN 42 Cb 0.55 -1.10 -0.03 0.00 0.11 0.00 0.00 30.24 29.78 2b4z n GLN 42 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2b4z s ALA 43 N -0.49 3.62 0.40 -1.58 0.00 -1.26 -4.95 121.76 117.51 2b4z s ALA 43 Ca 0.06 0.91 -0.27 0.00 0.00 0.00 0.00 51.96 52.67 2b4z s ALA 43 Cb 0.04 -3.68 -0.09 0.00 0.00 0.00 0.00 23.12 19.39 2b4z s ALA 43 CO 0.06 -1.18 1.38 -2.14 0.00 0.00 0.00 175.76 173.88 2b4z s PRO 44 N 3.26 3.97 0.00 0.00 0.02 -1.26 -3.57 135.00 137.42 2b4z s PRO 44 Ca 0.69 2.33 0.00 0.00 0.02 0.00 0.00 61.00 64.03 2b4z s PRO 44 Cb -0.32 -2.81 0.00 0.00 0.02 0.00 0.00 34.50 31.38 2b4z s PRO 44 CO 0.27 -0.56 0.00 0.41 -0.33 0.00 0.00 177.00 176.80 2b4z n GLY 45 N 0.61 0.71 3.29 0.52 0.00 -1.26 -5.04 105.19 104.02 2b4z n GLY 45 Ca 0.03 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.74 2b4z n GLY 45 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2b4z s PHE 46 N -2.55 2.42 -0.83 1.61 5.36 -1.23 -5.03 117.98 117.73 2b4z s PHE 46 Ca 0.00 -0.63 -0.21 0.00 -0.96 0.00 0.00 56.93 55.13 2b4z s PHE 46 Cb 0.00 -1.58 0.09 0.00 -0.34 0.00 0.00 43.02 41.20 2b4z s PHE 46 CO 0.00 -0.16 1.11 -1.12 -1.46 0.00 0.00 175.22 173.59 2b4z s SER 47 N -0.30 6.41 0.60 6.13 0.01 -1.26 -4.97 113.70 120.33 2b4z s SER 47 Ca 0.00 -1.49 -0.09 0.00 1.31 0.00 0.00 55.95 55.68 2b4z s SER 47 Cb -0.13 -2.43 -0.03 0.00 0.21 0.00 0.00 66.02 63.64 2b4z s SER 47 CO 0.02 -1.30 0.97 -0.31 0.41 0.00 0.00 173.24 173.04 2b4z s TYR 48 N 3.63 3.54 0.70 2.43 2.02 -1.26 -5.06 117.35 123.35 2b4z s TYR 48 Ca 0.30 1.09 -0.11 0.00 -0.37 0.00 0.00 57.07 57.98 2b4z s TYR 48 Cb -0.09 -2.67 0.01 0.00 -0.40 0.00 0.00 41.96 38.81 2b4z s TYR 48 CO -0.01 -0.67 1.06 0.95 -1.57 0.00 0.00 175.55 175.32 2b4z s THR 49 N -3.08 3.93 0.35 -0.71 -4.23 -1.26 -4.90 115.64 105.74 2b4z s THR 49 Ca 0.53 0.63 0.12 0.00 -1.18 0.00 0.00 61.69 61.79 2b4z s THR 49 Cb -0.11 -3.44 0.07 0.00 1.34 0.00 0.00 72.50 70.36 2b4z s THR 49 CO 0.51 -0.82 1.79 0.44 -0.54 0.00 0.00 174.62 176.00 2b4z h ASP 50 N -0.71 0.02 -0.31 3.99 3.32 -1.97 -2.10 116.42 118.66 2b4z h ASP 50 Ca -0.45 -0.01 0.03 0.00 0.02 0.00 0.00 57.03 56.63 2b4z h ASP 50 Cb 1.22 -0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.73 2b4z h ASP 50 CO 0.59 0.42 0.11 0.00 -1.72 0.00 0.00 179.24 178.64 2b4z h ALA 51 N 1.58 0.35 -0.28 3.45 0.00 -1.88 0.87 119.26 123.35 2b4z h ALA 51 Ca -0.00 0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 2b4z h ALA 51 Cb 0.73 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 2b4z h ALA 51 CO 0.05 -0.29 -0.03 -0.97 0.00 0.00 0.00 179.25 178.01 2b4z h ASN 52 N 0.24 0.52 0.31 0.00 -0.00 -1.83 -2.33 115.58 112.49 2b4z h ASN 52 Ca 0.14 -0.34 -0.04 0.00 -0.00 0.00 0.00 56.30 56.06 2b4z h ASN 52 Cb 0.10 -0.14 -0.01 0.00 -0.00 0.00 0.00 38.32 38.28 2b4z h ASN 52 CO -0.14 0.73 -0.20 0.11 -0.00 0.00 0.00 177.43 177.93 2b4z h LYS 53 N 0.29 0.00 -0.00 6.67 1.57 -1.12 -3.09 116.57 120.88 2b4z h LYS 53 Ca 0.08 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.86 2b4z h LYS 53 Cb 0.48 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.79 2b4z h LYS 53 CO 0.02 0.20 -0.61 0.09 -0.57 0.00 0.00 179.45 178.58 2b4z n ASN 54 N -4.00 1.04 -0.28 0.86 5.03 0.28 -4.33 115.26 113.86 2b4z n ASN 54 Ca -0.02 -0.85 0.07 0.00 0.87 0.00 0.00 54.58 54.66 2b4z n ASN 54 Cb 0.28 0.51 0.22 0.00 -1.02 0.00 0.00 39.78 39.78 2b4z n ASN 54 CO 0.00 0.00 0.00 0.50 -1.83 0.00 0.00 177.26 175.93 2b4z h LYS 55 N 0.68 0.50 0.00 3.52 1.63 -1.33 -3.46 116.57 118.11 2b4z h LYS 55 Ca 0.00 -0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.77 2b4z h LYS 55 Cb 0.55 -0.11 0.00 0.00 -0.60 0.00 0.00 32.23 32.07 2b4z h LYS 55 CO 0.00 0.33 0.00 0.41 -3.45 0.00 0.00 179.45 176.74 2b4z n GLY 56 N -1.33 0.58 3.96 5.01 0.00 -1.26 -5.03 105.19 107.12 2b4z n GLY 56 Ca 0.17 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.96 2b4z n GLY 56 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2b4z s ILE 57 N -2.50 2.82 -0.18 -0.61 -5.25 -1.26 -4.87 121.20 109.34 2b4z s ILE 57 Ca 0.00 -0.54 -0.07 0.00 -0.99 0.00 0.00 60.65 59.05 2b4z s ILE 57 Cb 0.00 -3.08 -0.04 0.00 2.95 0.00 0.00 42.46 42.29 2b4z s ILE 57 CO 0.00 -0.07 0.04 -0.89 -1.79 0.00 0.00 174.94 172.24 2b4z s THR 58 N -2.83 4.58 0.16 8.37 2.01 -1.26 -2.01 115.64 124.66 2b4z s THR 58 Ca 0.56 -0.11 -0.31 0.00 0.31 0.00 0.00 61.69 62.15 2b4z s THR 58 Cb -0.10 -3.06 -0.08 0.00 0.01 0.00 0.00 72.50 69.26 2b4z s THR 58 CO 0.40 0.46 1.36 0.26 -0.69 0.00 0.00 174.62 176.41 2b4z s TRP 59 N 0.47 3.23 0.20 4.92 0.23 -0.11 -4.71 118.94 123.18 2b4z s TRP 59 Ca 0.02 1.06 -0.14 0.00 -2.03 0.00 0.00 56.10 55.00 2b4z s TRP 59 Cb -0.13 -3.67 0.05 0.00 0.03 0.00 0.00 33.47 29.76 2b4z s TRP 59 CO 0.01 -2.23 0.71 0.41 0.96 0.00 0.00 176.95 176.82 2b4z n GLY 60 N 2.96 0.95 0.15 0.98 0.00 -1.26 -0.71 105.19 108.26 2b4z n GLY 60 Ca 0.09 -1.14 -0.06 0.00 0.00 0.00 0.00 46.02 44.91 2b4z n GLY 60 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2b4z h GLU 61 N 0.00 0.01 -0.02 1.61 5.08 -1.96 -0.77 114.58 118.54 2b4z h GLU 61 Ca -0.23 -0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.13 2b4z h GLU 61 Cb 0.93 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.17 2b4z h GLU 61 CO 0.30 0.01 0.00 0.93 -1.00 0.00 0.00 179.01 179.25 2b4z h GLU 62 N 0.01 0.02 -0.30 2.33 3.07 -1.96 -1.23 114.58 116.52 2b4z h GLU 62 Ca 0.16 -0.01 -0.08 0.00 -0.50 0.00 0.00 59.36 58.93 2b4z h GLU 62 Cb 0.24 -0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.13 2b4z h GLU 62 CO -0.34 0.23 -0.16 1.79 -1.40 0.00 0.00 179.01 179.14 2b4z h THR 63 N -0.18 1.24 -0.36 1.13 1.35 -1.82 -2.73 112.91 111.54 2b4z h THR 63 Ca 0.00 -1.10 -0.12 0.00 -0.55 0.00 0.00 66.41 64.64 2b4z h THR 63 Cb 0.21 1.19 -0.01 0.00 -1.73 0.00 0.00 68.15 67.81 2b4z h THR 63 CO -0.00 0.36 -0.27 -0.07 -0.25 0.00 0.00 175.52 175.29 2b4z h LEU 64 N 0.48 0.75 -0.82 3.87 3.38 -1.06 -1.14 115.31 120.77 2b4z h LEU 64 Ca 0.08 -0.29 0.06 0.00 0.09 0.00 0.00 57.88 57.82 2b4z h LEU 64 Cb 0.55 -0.21 -0.06 0.00 0.09 0.00 0.00 40.66 41.04 2b4z h LEU 64 CO 0.04 0.98 0.51 0.24 0.09 0.00 0.00 178.44 180.30 2b4z h MET 65 N 0.63 0.91 -0.01 1.13 2.86 -0.92 -0.24 114.93 119.29 2b4z h MET 65 Ca 0.08 -0.05 -0.09 0.00 -2.06 0.00 0.00 59.70 57.57 2b4z h MET 65 Cb 0.78 -0.20 0.01 0.00 0.06 0.00 0.00 31.60 32.24 2b4z h MET 65 CO 0.06 0.60 -0.36 1.49 1.06 0.00 0.00 176.91 179.77 2b4z h GLU 66 N 0.93 0.27 -0.31 1.72 4.81 -1.35 -3.18 114.58 117.47 2b4z h GLU 66 Ca 0.36 -0.27 0.03 0.00 -0.13 0.00 0.00 59.36 59.35 2b4z h GLU 66 Cb 0.15 0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.57 2b4z h GLU 66 CO -0.16 0.96 0.12 -0.92 -0.73 0.00 0.00 179.01 178.28 2b4z h TYR 67 N -0.32 0.22 0.00 0.92 3.20 -1.02 -2.50 116.97 117.46 2b4z h TYR 67 Ca -0.04 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.84 2b4z h TYR 67 Cb 1.08 -0.05 0.00 0.00 1.54 0.00 0.00 36.73 39.29 2b4z h TYR 67 CO 0.16 0.11 0.00 1.28 -1.64 0.00 0.00 178.16 178.07 2b4z n LEU 68 N -5.00 0.68 0.08 2.82 4.77 -0.12 -0.87 117.00 119.35 2b4z n LEU 68 Ca -0.00 0.67 -0.10 0.00 -0.03 0.00 0.00 56.01 56.54 2b4z n LEU 68 Cb 0.10 -0.57 -0.02 0.00 -2.33 0.00 0.00 43.42 40.59 2b4z n LEU 68 CO 0.29 -0.56 0.23 -0.08 -1.33 0.00 0.00 177.39 175.94 2b4z h GLU 69 N 0.00 0.28 -0.76 3.23 4.81 -1.42 0.16 114.58 120.88 2b4z h GLU 69 Ca 0.00 -0.30 -0.01 0.00 -0.13 0.00 0.00 59.36 58.92 2b4z h GLU 69 Cb 0.37 0.09 -0.18 0.00 0.63 0.00 0.00 28.75 29.65 2b4z h GLU 69 CO 0.00 1.01 -0.35 1.21 -0.73 0.00 0.00 179.01 180.15 2b4z s ASN 70 N -6.99 -1.16 0.17 1.04 3.04 -0.95 -3.83 114.94 106.26 2b4z s ASN 70 Ca -0.04 -0.64 -0.18 0.00 0.04 0.00 0.00 52.86 52.04 2b4z s ASN 70 Cb 0.10 1.49 0.11 0.00 -1.54 0.00 0.00 41.25 41.41 2b4z s ASN 70 CO 0.84 -0.12 1.64 -0.65 -3.04 0.00 0.00 177.10 175.77 2b4z h PRO 71 N 6.40 -0.07 -0.13 0.43 0.11 -1.22 -2.44 132.00 135.08 2b4z h PRO 71 Ca 0.02 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.13 2b4z h PRO 71 Cb 1.19 0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.31 2b4z h PRO 71 CO 0.04 -0.05 0.02 0.87 -0.21 0.00 0.00 178.00 178.67 2b4z h LYS 72 N -0.07 0.18 -0.18 1.05 1.79 -1.84 -0.54 116.57 116.96 2b4z h LYS 72 Ca 0.21 -0.02 -0.21 0.00 -2.18 0.00 0.00 60.65 58.44 2b4z h LYS 72 Cb 0.39 -0.04 0.01 0.00 -1.58 0.00 0.00 32.23 31.01 2b4z h LYS 72 CO -0.48 0.19 -0.73 -0.22 -1.08 0.00 0.00 179.45 177.13 2b4z h LYS 73 N 0.18 0.78 -0.03 3.15 3.64 -1.82 -2.35 116.57 120.13 2b4z h LYS 73 Ca 0.05 -0.61 -0.23 0.00 -1.27 0.00 0.00 60.65 58.59 2b4z h LYS 73 Cb 0.10 0.12 0.01 0.00 -0.41 0.00 0.00 32.23 32.04 2b4z h LYS 73 CO -0.00 1.22 -0.91 -0.92 -2.27 0.00 0.00 179.45 176.57 2b4z h TYR 74 N 0.55 0.74 -2.66 1.91 3.20 -1.18 -3.38 116.97 116.14 2b4z h TYR 74 Ca -0.04 -0.38 -0.60 0.00 3.14 0.00 0.00 58.73 60.85 2b4z h TYR 74 Cb 1.35 -0.09 -0.40 0.00 1.54 0.00 0.00 36.73 39.13 2b4z h TYR 74 CO 0.08 1.20 -0.81 -0.89 -1.64 0.00 0.00 178.16 176.10 2b4z n ILE 75 N -3.80 0.01 -1.66 1.81 5.41 -0.24 -5.08 119.36 115.80 2b4z n ILE 75 Ca -0.07 -4.05 -0.47 0.00 1.00 0.00 0.00 62.75 59.16 2b4z n ILE 75 Cb 0.82 -1.88 -0.04 0.00 -0.71 0.00 0.00 39.64 37.82 2b4z n ILE 75 CO 0.00 0.00 0.00 -2.65 0.00 0.00 0.00 176.55 173.90 2b4z n PRO 76 N 2.44 2.01 -0.11 0.38 -0.02 -0.88 -1.53 135.00 137.28 2b4z n PRO 76 Ca 0.26 0.73 0.00 0.00 -2.02 0.00 0.00 63.50 62.46 2b4z n PRO 76 Cb 0.43 -2.48 0.00 0.00 -0.02 0.00 0.00 33.50 31.42 2b4z n PRO 76 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2b4z n GLY 77 N 3.40 0.61 3.71 -1.23 0.00 -1.26 -4.82 105.19 105.60 2b4z n GLY 77 Ca 0.18 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.81 2b4z n GLY 77 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2b4z n THR 78 N -2.00 3.92 0.39 2.61 5.66 -0.58 -4.85 114.28 119.42 2b4z n THR 78 Ca 0.00 -0.50 0.10 0.00 -3.05 0.00 0.00 64.05 60.60 2b4z n THR 78 Cb 0.00 -1.52 0.26 0.00 -1.55 0.00 0.00 70.33 67.52 2b4z n THR 78 CO 0.00 0.00 0.00 2.29 -3.05 0.00 0.00 175.07 174.31 2b4z n LYS 79 N -1.09 2.26 -2.50 1.09 2.85 -1.26 -4.85 118.16 114.66 2b4z n LYS 79 Ca 0.12 -1.93 -0.43 0.00 -1.05 0.00 0.00 58.31 55.01 2b4z n LYS 79 Cb 0.45 -1.45 -0.02 0.00 -0.65 0.00 0.00 35.03 33.36 2b4z n LYS 79 CO 0.00 0.00 0.00 1.41 -0.05 0.00 0.00 177.40 178.76 2b4z s MET 80 N -1.38 4.03 -0.69 -1.58 1.75 -1.26 -4.96 119.30 115.20 2b4z s MET 80 Ca 0.37 1.26 -0.19 0.00 -1.25 0.00 0.00 55.69 55.88 2b4z s MET 80 Cb 0.20 -3.81 0.12 0.00 2.84 0.00 0.00 34.83 34.18 2b4z s MET 80 CO 0.27 -0.97 0.83 0.42 -0.65 0.00 0.00 175.02 174.92 2b4z s ILE 81 N 3.96 4.82 -0.29 10.11 -1.09 -1.26 -4.86 121.20 132.59 2b4z s ILE 81 Ca 0.52 -1.17 -0.11 0.00 -2.23 0.00 0.00 60.65 57.66 2b4z s ILE 81 Cb -0.16 -4.57 0.12 0.00 -1.58 0.00 0.00 42.46 36.27 2b4z s ILE 81 CO 0.19 -1.23 0.64 0.12 -1.23 0.00 0.00 174.94 173.42 2b4z s PHE 82 N 2.61 -1.27 0.29 3.97 5.36 -1.26 -5.06 117.98 122.62 2b4z s PHE 82 Ca 0.17 2.25 -0.02 0.00 -0.96 0.00 0.00 56.93 58.37 2b4z s PHE 82 Cb -0.18 0.75 0.42 0.00 -0.34 0.00 0.00 43.02 43.67 2b4z s PHE 82 CO 0.02 -0.63 1.97 0.00 -1.46 0.00 0.00 175.22 175.11 2b4z h ALA 83 N 7.84 1.40 0.00 11.12 0.00 -1.97 -3.40 119.26 134.24 2b4z h ALA 83 Ca -0.20 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.65 2b4z h ALA 83 Cb 1.12 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 18.57 2b4z h ALA 83 CO 0.11 0.56 0.00 0.41 0.00 0.00 0.00 179.25 180.34 2b4z n GLY 84 N -1.41 2.93 3.32 0.00 0.00 -1.26 -4.48 105.19 104.28 2b4z n GLY 84 Ca 0.10 -2.04 -0.36 0.00 0.00 0.00 0.00 46.02 43.71 2b4z n GLY 84 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2b4z s ILE 85 N -2.40 3.70 0.03 -0.61 1.01 0.54 -4.97 121.20 118.51 2b4z s ILE 85 Ca 0.00 -0.72 -0.21 0.00 0.00 0.00 0.00 60.65 59.71 2b4z s ILE 85 Cb 0.00 -2.88 -0.15 0.00 0.01 0.00 0.00 42.46 39.44 2b4z s ILE 85 CO 0.00 0.15 1.36 0.50 0.00 0.00 0.00 174.94 176.95 2b4z h LYS 86 N 8.18 0.27 -6.36 2.79 3.64 -1.87 -3.38 116.57 119.83 2b4z h LYS 86 Ca -0.33 -0.13 -0.54 0.00 -1.27 0.00 0.00 60.65 58.38 2b4z h LYS 86 Cb 1.13 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.95 2b4z h LYS 86 CO 0.60 0.64 0.95 0.15 -2.27 0.00 0.00 179.45 179.51 2b4z s LYS 87 N -4.44 4.23 0.17 1.90 1.02 -1.26 -4.92 119.74 116.44 2b4z s LYS 87 Ca -0.14 2.12 -0.14 0.00 0.02 0.00 0.00 55.97 57.83 2b4z s LYS 87 Cb 0.05 -3.68 0.13 0.00 -0.52 0.00 0.00 37.83 33.81 2b4z s LYS 87 CO 0.73 -0.69 1.75 -0.22 -0.92 0.00 0.00 175.35 176.00 2b4z h LYS 88 N 8.39 0.33 -0.89 1.68 3.64 -2.00 -2.28 116.57 125.43 2b4z h LYS 88 Ca -0.39 -0.02 0.03 0.00 -1.27 0.00 0.00 60.65 59.00 2b4z h LYS 88 Cb 1.18 -0.07 -0.05 0.00 -0.41 0.00 0.00 32.23 32.88 2b4z h LYS 88 CO 0.93 0.22 0.59 0.78 -2.27 0.00 0.00 179.45 179.69 2b4z h GLY 89 N 0.34 1.27 1.13 5.01 0.00 -1.99 -0.69 103.07 108.14 2b4z h GLY 89 Ca 0.21 -0.45 -0.11 0.00 0.00 0.00 0.00 47.33 46.98 2b4z h GLY 89 CO -0.21 0.40 -0.10 0.83 0.00 0.00 0.00 176.54 177.46 2b4z h GLU 90 N 1.14 1.02 -0.50 4.80 5.08 -1.84 -1.01 114.58 123.27 2b4z h GLU 90 Ca 0.35 -0.37 -0.09 0.00 -1.00 0.00 0.00 59.36 58.24 2b4z h GLU 90 Cb -0.02 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.14 2b4z h GLU 90 CO -0.10 1.06 -0.06 0.00 -1.00 0.00 0.00 179.01 178.91 2b4z h ARG 91 N 0.91 0.88 -0.52 2.33 3.08 -0.89 -1.12 114.38 119.06 2b4z h ARG 91 Ca 0.14 -0.28 -0.02 0.00 0.07 0.00 0.00 59.98 59.89 2b4z h ARG 91 Cb 0.66 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.61 2b4z h ARG 91 CO 0.05 0.92 0.24 0.93 -1.07 0.00 0.00 179.97 181.03 2b4z h GLU 92 N 0.80 0.77 -0.13 0.04 5.08 -0.80 -0.21 114.58 120.13 2b4z h GLU 92 Ca 0.14 -0.12 -0.01 0.00 -1.00 0.00 0.00 59.36 58.37 2b4z h GLU 92 Cb 0.56 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.67 2b4z h GLU 92 CO 0.03 0.65 0.04 -0.44 -1.00 0.00 0.00 179.01 178.30 2b4z h ASP 93 N 0.70 0.18 -0.76 1.42 3.32 -0.95 -1.40 116.42 118.93 2b4z h ASP 93 Ca 0.18 -0.19 0.01 0.00 0.02 0.00 0.00 57.03 57.05 2b4z h ASP 93 Cb 0.15 -0.05 -0.04 0.00 0.22 0.00 0.00 39.33 39.61 2b4z h ASP 93 CO -0.02 0.32 0.50 0.25 -1.72 0.00 0.00 179.24 178.57 2b4z h LEU 94 N 0.03 0.85 -0.97 1.55 5.85 -1.06 -1.64 115.31 119.92 2b4z h LEU 94 Ca 0.04 -0.02 -0.09 0.00 0.84 0.00 0.00 57.88 58.66 2b4z h LEU 94 Cb 0.20 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.01 2b4z h LEU 94 CO -0.00 0.61 -0.17 0.40 -0.34 0.00 0.00 178.44 178.93 2b4z h ILE 95 N 1.00 1.25 -0.64 4.05 2.04 -0.91 -0.48 117.51 123.83 2b4z h ILE 95 Ca 0.28 -1.15 -0.06 0.00 1.00 0.00 0.00 64.86 64.94 2b4z h ILE 95 Cb -0.09 1.21 -0.03 0.00 -0.74 0.00 0.00 36.82 37.17 2b4z h ILE 95 CO -0.07 0.37 0.18 0.00 0.00 0.00 0.00 178.15 178.63 2b4z h ALA 96 N 1.32 0.84 -0.37 1.87 0.00 -0.67 -0.29 119.26 121.95 2b4z h ALA 96 Ca 0.08 -0.22 -0.05 0.00 0.00 0.00 0.00 54.91 54.72 2b4z h ALA 96 Cb 0.58 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 2b4z h ALA 96 CO 0.04 0.53 0.02 -0.92 0.00 0.00 0.00 179.25 178.92 2b4z h TYR 97 N 0.93 0.69 -0.87 0.00 3.20 -0.91 -2.90 116.97 117.11 2b4z h TYR 97 Ca 0.20 -0.11 -0.01 0.00 3.14 0.00 0.00 58.73 61.96 2b4z h TYR 97 Cb 0.32 -0.18 -0.04 0.00 1.54 0.00 0.00 36.73 38.37 2b4z h TYR 97 CO 0.02 0.72 0.51 -0.07 -1.64 0.00 0.00 178.16 177.70 2b4z h LEU 98 N 0.46 1.05 -1.29 2.82 3.38 -0.80 0.12 115.31 121.05 2b4z h LEU 98 Ca 0.11 -0.07 0.03 0.00 0.09 0.00 0.00 57.88 58.04 2b4z h LEU 98 Cb 0.43 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.87 2b4z h LEU 98 CO 0.01 0.81 0.50 0.50 0.09 0.00 0.00 178.44 180.36 2b4z h LYS 99 N 1.20 0.91 0.00 1.13 3.64 -0.90 -1.51 116.57 121.04 2b4z h LYS 99 Ca 0.31 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.62 2b4z h LYS 99 Cb -0.04 -0.20 -0.00 0.00 -0.41 0.00 0.00 32.23 31.58 2b4z h LYS 99 CO -0.06 0.60 -0.12 -0.22 -2.27 0.00 0.00 179.45 177.38 2b4z h LYS 100 N 0.93 0.00 0.00 1.90 3.64 -1.21 -3.36 116.57 118.47 2b4z h LYS 100 Ca 0.30 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.67 2b4z h LYS 100 Cb 0.04 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 31.86 2b4z h LYS 100 CO -0.09 0.31 -0.03 0.00 -2.27 0.00 0.00 179.45 177.37 2b4z h ALA 101 N -0.72 1.91 -0.13 5.00 0.00 -0.77 -1.80 119.26 122.75 2b4z h ALA 101 Ca -0.02 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2b4z h ALA 101 Cb 0.38 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.16 2b4z h ALA 101 CO -0.01 0.04 0.00 0.25 0.00 0.00 0.00 179.25 179.53 2b4z n THR 102 N -4.45 0.16 -0.10 0.00 -2.24 -0.57 -3.82 114.28 103.27 2b4z n THR 102 Ca -0.03 -0.32 0.00 0.00 -2.27 0.00 0.00 64.05 61.43 2b4z n THR 102 Cb 0.12 0.38 0.00 0.00 -2.10 0.00 0.00 70.33 68.73 2b4z n THR 102 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 2b4z n ASN 103 N 0.27 1.68 -0.77 3.42 5.15 -0.69 -0.74 115.26 123.59 2b4z n ASN 103 Ca 0.17 -1.78 0.10 0.00 -0.60 0.00 0.00 54.58 52.47 2b4z n ASN 103 Cb 0.33 0.00 0.08 0.00 -0.53 0.00 0.00 39.78 39.66 2b4z n ASN 103 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04