#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a4v s GLN 2 N 0.00 3.13 0.50 1.64 0.74 -1.26 -0.38 119.66 124.03 1a4v s GLN 2 Ca 0.00 -0.76 -0.05 0.00 0.05 0.00 0.00 55.36 54.60 1a4v s GLN 2 Cb 0.00 -2.71 -0.02 0.00 1.10 0.00 0.00 33.01 31.37 1a4v s GLN 2 CO 0.00 -0.20 0.80 -0.06 -0.55 0.00 0.00 175.29 175.28 1a4v s PHE 3 N 1.33 3.44 0.41 1.67 0.08 -0.23 -4.98 117.98 119.71 1a4v s PHE 3 Ca 0.05 0.69 0.02 0.00 0.12 0.00 0.00 56.93 57.81 1a4v s PHE 3 Cb -0.14 -2.40 -0.01 0.00 -0.57 0.00 0.00 43.02 39.90 1a4v s PHE 3 CO -0.09 -0.42 0.61 0.95 -0.10 0.00 0.00 175.22 176.17 1a4v s THR 4 N -2.77 4.10 0.26 0.64 -4.23 -1.26 -4.81 115.64 107.56 1a4v s THR 4 Ca 0.49 -0.63 -0.02 0.00 -1.18 0.00 0.00 61.69 60.35 1a4v s THR 4 Cb -0.10 -3.49 0.26 0.00 1.34 0.00 0.00 72.50 70.51 1a4v s THR 4 CO 0.44 -0.30 1.69 0.50 -0.54 0.00 0.00 174.62 176.41 1a4v h LYS 5 N 0.55 0.32 -0.31 3.99 3.64 -1.99 -2.41 116.57 120.36 1a4v h LYS 5 Ca -0.46 -0.02 -0.18 0.00 -1.27 0.00 0.00 60.65 58.72 1a4v h LYS 5 Cb 1.25 -0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 33.00 1a4v h LYS 5 CO 0.56 0.21 -0.50 0.00 -2.27 0.00 0.00 179.45 177.46 1a4v h GLU 7 N 0.69 -0.52 -0.79 0.00 5.08 -1.84 -1.75 114.58 115.45 1a4v h GLU 7 Ca 0.03 0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.41 1a4v h GLU 7 Cb 1.11 0.12 -0.04 0.00 0.50 0.00 0.00 28.75 30.44 1a4v h GLU 7 CO 0.11 -0.34 0.43 1.25 -1.00 0.00 0.00 179.01 179.46 1a4v h LEU 8 N -0.54 0.98 -0.49 1.33 6.46 -1.53 -2.23 115.31 119.29 1a4v h LEU 8 Ca -0.01 -0.08 0.02 0.00 -0.12 0.00 0.00 57.88 57.69 1a4v h LEU 8 Cb 0.49 -0.25 -0.03 0.00 -0.73 0.00 0.00 40.66 40.14 1a4v h LEU 8 CO -0.04 0.78 0.30 -1.28 -0.62 0.00 0.00 178.44 177.58 1a4v h SER 9 N 1.10 0.49 -0.13 1.25 0.87 -0.91 -0.31 113.55 115.91 1a4v h SER 9 Ca 0.28 -0.00 -0.09 0.00 -1.23 0.00 0.00 61.79 60.75 1a4v h SER 9 Cb 0.02 -0.11 -0.01 0.00 -0.44 0.00 0.00 62.40 61.86 1a4v h SER 9 CO -0.05 0.35 -0.20 0.06 -0.53 0.00 0.00 176.83 176.47 1a4v h GLN 10 N 0.60 0.54 -0.05 2.24 3.07 -0.96 0.32 115.11 120.87 1a4v h GLN 10 Ca 0.19 -0.19 -0.09 0.00 0.09 0.00 0.00 58.65 58.65 1a4v h GLN 10 Cb -0.01 -0.04 -0.01 0.00 0.08 0.00 0.00 27.48 27.50 1a4v h GLN 10 CO -0.07 0.71 -0.38 -0.07 0.09 0.00 0.00 178.83 179.11 1a4v h LEU 11 N 0.48 0.11 -2.14 0.06 3.38 -0.88 -3.10 115.31 113.22 1a4v h LEU 11 Ca 0.08 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1a4v h LEU 11 Cb 0.62 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.34 1a4v h LEU 11 CO 0.04 0.48 0.00 0.18 0.09 0.00 0.00 178.44 179.23 1a4v n LEU 12 N -4.07 3.12 -0.21 1.67 4.77 -0.17 -4.70 117.00 117.40 1a4v n LEU 12 Ca -0.02 -1.32 -0.01 0.00 -0.03 0.00 0.00 56.01 54.64 1a4v n LEU 12 Cb 0.43 -0.14 0.06 0.00 -2.33 0.00 0.00 43.42 41.43 1a4v n LEU 12 CO 0.40 0.63 0.73 0.50 -1.33 0.00 0.00 177.39 178.31 1a4v h LYS 13 N 4.15 -0.02 -0.11 3.23 1.63 -0.86 -1.50 116.57 123.09 1a4v h LYS 13 Ca 0.00 0.00 0.03 0.00 -0.85 0.00 0.00 60.65 59.83 1a4v h LYS 13 Cb 0.92 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 32.55 1a4v h LYS 13 CO 0.00 -0.01 0.14 -0.44 -3.45 0.00 0.00 179.45 175.69 1a4v h ASP 14 N -0.02 0.00 -0.06 4.20 3.32 -1.84 -2.71 116.42 119.31 1a4v h ASP 14 Ca 0.30 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.35 1a4v h ASP 14 Cb 0.47 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.02 1a4v h ASP 14 CO -0.65 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 176.87 1a4v n ILE 15 N -3.68 0.08 -1.92 0.35 3.06 -0.57 -4.90 119.36 111.78 1a4v n ILE 15 Ca -0.00 -0.21 -0.42 0.00 -2.50 0.00 0.00 62.75 59.62 1a4v n ILE 15 Cb 0.25 0.19 -0.02 0.00 0.54 0.00 0.00 39.64 40.59 1a4v n ILE 15 CO 0.00 0.00 0.00 -0.62 -2.50 0.00 0.00 176.55 173.43 1a4v s ASP 16 N -1.78 6.56 0.00 9.51 2.15 -1.03 -2.24 116.67 129.84 1a4v s ASP 16 Ca 0.36 2.74 0.00 0.00 0.43 0.00 0.00 52.55 56.08 1a4v s ASP 16 Cb 0.19 -2.62 0.00 0.00 -0.30 0.00 0.00 42.92 40.19 1a4v s ASP 16 CO 0.30 -0.79 0.00 0.61 -0.17 0.00 0.00 175.17 175.11 1a4v n GLY 17 N 2.60 2.87 3.66 2.66 0.00 0.76 -4.94 105.19 112.79 1a4v n GLY 17 Ca 0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 1a4v n GLY 17 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1a4v s TYR 18 N -2.30 2.26 0.00 1.61 6.14 -0.95 -1.28 117.35 122.83 1a4v s TYR 18 Ca 0.00 0.43 0.00 0.00 0.64 0.00 0.00 57.07 58.14 1a4v s TYR 18 Cb 0.00 -3.81 0.00 0.00 0.42 0.00 0.00 41.96 38.57 1a4v s TYR 18 CO 0.00 -3.26 0.00 0.41 0.64 0.00 0.00 175.55 173.34 1a4v n GLY 19 N 3.97 0.45 2.00 8.97 0.00 -1.26 -2.31 105.19 117.02 1a4v n GLY 19 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 1a4v n GLY 19 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1a4v n GLY 20 N -2.45 0.64 3.73 -0.02 0.00 -0.40 -5.02 105.19 101.66 1a4v n GLY 20 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 1a4v n GLY 20 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1a4v s ILE 21 N -2.41 5.01 -0.04 -0.61 1.09 -0.98 -4.87 121.20 118.40 1a4v s ILE 21 Ca 0.00 1.39 -0.24 0.00 -1.10 0.00 0.00 60.65 60.70 1a4v s ILE 21 Cb 0.00 -4.01 -0.04 0.00 -1.06 0.00 0.00 42.46 37.35 1a4v s ILE 21 CO 0.00 0.29 0.72 0.00 -0.10 0.00 0.00 174.94 175.86 1a4v s ALA 22 N 0.56 3.34 0.27 9.38 0.00 -1.26 -0.17 121.76 133.88 1a4v s ALA 22 Ca 0.36 0.18 -0.03 0.00 0.00 0.00 0.00 51.96 52.46 1a4v s ALA 22 Cb -0.18 -2.97 0.56 0.00 0.00 0.00 0.00 23.12 20.53 1a4v s ALA 22 CO 0.18 -0.06 1.62 1.25 0.00 0.00 0.00 175.76 178.74 1a4v h LEU 23 N 6.49 -0.34 -1.39 0.00 7.12 -1.92 -1.81 115.31 123.47 1a4v h LEU 23 Ca -0.42 0.22 0.02 0.00 0.13 0.00 0.00 57.88 57.83 1a4v h LEU 23 Cb 1.20 0.37 -0.04 0.00 -0.53 0.00 0.00 40.66 41.67 1a4v h LEU 23 CO 0.74 -0.22 0.43 1.55 -0.13 0.00 0.00 178.44 180.82 1a4v h PRO 24 N 0.10 0.79 0.00 5.25 0.13 -1.93 0.46 132.00 136.80 1a4v h PRO 24 Ca 0.48 -0.05 -0.09 0.00 -0.87 0.00 0.00 66.00 65.48 1a4v h PRO 24 Cb 0.91 -0.18 -0.01 0.00 0.13 0.00 0.00 31.00 31.85 1a4v h PRO 24 CO -0.73 0.53 -0.41 1.05 -0.23 0.00 0.00 178.00 178.20 1a4v h GLU 25 N 0.82 0.00 0.04 0.86 4.11 -1.66 -0.62 114.58 118.14 1a4v h GLU 25 Ca 0.25 0.00 -0.23 0.00 0.07 0.00 0.00 59.36 59.45 1a4v h GLU 25 Cb 0.01 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.26 1a4v h GLU 25 CO -0.07 0.41 -1.03 1.25 0.07 0.00 0.00 179.01 179.64 1a4v h LEU 26 N 0.00 0.41 -0.44 3.06 5.85 -0.95 -2.34 115.31 120.91 1a4v h LEU 26 Ca -0.00 -0.37 -0.04 0.00 0.84 0.00 0.00 57.88 58.30 1a4v h LEU 26 Cb 0.85 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.73 1a4v h LEU 26 CO 0.05 1.21 0.11 0.40 -0.34 0.00 0.00 178.44 179.88 1a4v h ILE 27 N 0.14 1.23 -0.52 4.05 1.08 -0.44 -1.71 117.51 121.34 1a4v h ILE 27 Ca -0.09 -0.80 -0.01 0.00 -0.39 0.00 0.00 64.86 63.58 1a4v h ILE 27 Cb 1.70 0.91 -0.02 0.00 -3.07 0.00 0.00 36.82 36.33 1a4v h ILE 27 CO 0.17 0.28 0.30 0.00 -0.69 0.00 0.00 178.15 178.22 1a4v h THR 29 N 0.70 1.14 -0.46 0.00 2.02 -1.14 -2.65 112.91 112.52 1a4v h THR 29 Ca 0.19 -0.32 -0.08 0.00 0.77 0.00 0.00 66.41 66.96 1a4v h THR 29 Cb 0.01 0.53 -0.02 0.00 -1.74 0.00 0.00 68.15 66.93 1a4v h THR 29 CO -0.03 0.14 -0.06 0.24 0.37 0.00 0.00 175.52 176.19 1a4v h MET 30 N 0.61 0.80 -0.31 6.66 2.07 -1.04 -2.10 114.93 121.63 1a4v h MET 30 Ca 0.16 -0.24 0.05 0.00 -2.07 0.00 0.00 59.70 57.60 1a4v h MET 30 Cb -0.01 -0.08 -0.05 0.00 -1.87 0.00 0.00 31.60 29.60 1a4v h MET 30 CO -0.03 0.84 0.02 0.35 1.07 0.00 0.00 176.91 179.16 1a4v h PHE 31 N 0.73 0.03 0.00 -0.22 3.57 -0.83 -1.36 116.94 118.86 1a4v h PHE 31 Ca 0.13 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.65 1a4v h PHE 31 Cb 0.53 0.03 0.00 0.00 2.79 0.00 0.00 35.95 39.30 1a4v h PHE 31 CO 0.03 -0.03 0.00 0.72 -2.23 0.00 0.00 178.31 176.80 1a4v n HIS 32 N -5.14 0.53 -0.07 0.41 8.25 -1.06 -1.97 115.22 116.18 1a4v n HIS 32 Ca 0.00 0.16 -0.20 0.00 -0.26 0.00 0.00 57.72 57.42 1a4v n HIS 32 Cb 0.15 -0.76 -0.12 0.00 1.12 0.00 0.00 29.99 30.38 1a4v n HIS 32 CO 0.00 0.00 0.00 1.15 0.64 0.00 0.00 176.34 178.13 1a4v h THR 33 N 0.00 1.14 0.00 1.59 2.02 -0.91 -3.44 112.91 113.31 1a4v h THR 33 Ca 0.00 -2.28 0.00 0.00 0.77 0.00 0.00 66.41 64.90 1a4v h THR 33 Cb 0.61 2.62 0.00 0.00 -1.74 0.00 0.00 68.15 69.64 1a4v h THR 33 CO 0.00 0.49 0.00 -1.54 0.37 0.00 0.00 175.52 174.84 1a4v n SER 34 N -4.33 0.01 -1.70 4.18 3.41 -0.55 -4.91 113.62 109.72 1a4v n SER 34 Ca -0.25 -0.49 -0.15 0.00 -0.26 0.00 0.00 58.87 57.72 1a4v n SER 34 Cb 0.70 0.01 -0.01 0.00 -0.26 0.00 0.00 64.21 64.64 1a4v n SER 34 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1a4v n GLY 35 N 0.01 -0.13 2.70 5.00 0.00 -0.83 -2.75 105.19 109.19 1a4v n GLY 35 Ca 0.00 -0.25 -0.21 0.00 0.00 0.00 0.00 46.02 45.56 1a4v n GLY 35 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1a4v n TYR 36 N -3.91 -1.48 -3.63 1.61 4.01 -1.25 -4.72 117.16 107.79 1a4v n TYR 36 Ca -0.18 0.27 -0.39 0.00 -0.16 0.00 0.00 57.90 57.44 1a4v n TYR 36 Cb 0.63 -4.19 -0.11 0.00 -0.31 0.00 0.00 39.34 35.35 1a4v n TYR 36 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 1a4v s ASP 37 N -2.42 5.62 0.05 7.72 -1.08 -1.11 -1.06 116.67 124.40 1a4v s ASP 37 Ca 0.16 -0.67 0.11 0.00 -0.52 0.00 0.00 52.55 51.63 1a4v s ASP 37 Cb -0.07 -2.01 0.50 0.00 -1.46 0.00 0.00 42.92 39.88 1a4v s ASP 37 CO 0.19 -0.26 1.36 0.35 0.52 0.00 0.00 175.17 177.34 1a4v n THR 38 N 4.99 1.30 0.42 1.71 -2.24 0.49 -2.53 114.28 118.42 1a4v n THR 38 Ca -0.13 0.36 0.09 0.00 -2.27 0.00 0.00 64.05 62.10 1a4v n THR 38 Cb 0.48 -1.22 0.13 0.00 -2.10 0.00 0.00 70.33 67.62 1a4v n THR 38 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1a4v n GLN 39 N -1.63 1.95 -1.80 -0.78 6.02 -1.26 -4.07 117.38 115.81 1a4v n GLN 39 Ca 0.02 -1.86 -0.42 0.00 -0.01 0.00 0.00 57.00 54.73 1a4v n GLN 39 Cb 0.11 -1.38 -0.03 0.00 1.02 0.00 0.00 30.24 29.96 1a4v n GLN 39 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1a4v s ALA 40 N -1.35 3.80 -0.12 -1.58 0.00 -1.05 -4.77 121.76 116.69 1a4v s ALA 40 Ca 0.27 1.43 -0.01 0.00 0.00 0.00 0.00 51.96 53.65 1a4v s ALA 40 Cb 0.17 -3.70 0.03 0.00 0.00 0.00 0.00 23.12 19.61 1a4v s ALA 40 CO 0.24 -1.02 -0.05 0.42 0.00 0.00 0.00 175.76 175.34 1a4v s ILE 41 N 1.94 0.89 -0.18 0.00 1.01 -1.26 -0.12 121.20 123.48 1a4v s ILE 41 Ca 0.76 -0.29 0.01 0.00 0.00 0.00 0.00 60.65 61.13 1a4v s ILE 41 Cb -0.45 -0.99 0.03 0.00 0.01 0.00 0.00 42.46 41.06 1a4v s ILE 41 CO 0.33 0.27 -0.16 -0.69 0.00 0.00 0.00 174.94 174.70 1a4v s VAL 42 N 1.75 1.87 0.12 2.92 1.01 -0.73 -4.97 120.40 122.38 1a4v s VAL 42 Ca 0.04 -0.96 0.09 0.00 0.00 0.00 0.00 61.98 61.15 1a4v s VAL 42 Cb -0.13 -1.79 -0.04 0.00 0.00 0.00 0.00 36.38 34.42 1a4v s VAL 42 CO -0.08 0.38 -0.16 -1.83 0.00 0.00 0.00 175.10 173.41 1a4v s GLU 43 N 1.34 1.84 0.00 2.72 -1.05 -1.26 -1.30 118.70 120.98 1a4v s GLU 43 Ca 0.02 -1.18 0.00 0.00 -0.15 0.00 0.00 54.97 53.66 1a4v s GLU 43 Cb -0.14 -2.13 0.00 0.00 -0.44 0.00 0.00 34.13 31.42 1a4v s GLU 43 CO -0.11 0.48 0.00 -1.71 0.95 0.00 0.00 175.26 174.87 1a4v n ASN 44 N 0.70 0.00 0.00 0.83 4.05 -0.41 -5.01 115.26 115.42 1a4v n ASN 44 Ca -0.15 0.00 0.00 0.00 0.45 0.00 0.00 54.58 54.88 1a4v n ASN 44 Cb 0.53 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.54 1a4v n ASN 44 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 177.26 174.80 1a4v n ASN 45 N 0.00 0.00 0.00 1.20 4.13 -1.26 -4.66 115.26 114.67 1a4v n ASN 45 Ca 0.00 0.00 0.08 0.00 1.68 0.00 0.00 54.58 56.34 1a4v n ASN 45 Cb 0.00 0.00 0.47 0.00 -1.54 0.00 0.00 39.78 38.71 1a4v n ASN 45 CO 0.00 0.00 0.00 1.21 0.28 0.00 0.00 177.26 178.75 1a4v n GLU 46 N -0.53 0.91 -3.79 3.52 4.07 -1.26 -4.93 120.64 118.62 1a4v n GLU 46 Ca 0.00 0.00 -0.02 0.00 -0.06 0.00 0.00 57.16 57.08 1a4v n GLU 46 Cb 0.00 -1.27 0.00 0.00 -0.06 0.00 0.00 31.44 30.11 1a4v n GLU 46 CO 0.00 0.00 0.00 -1.54 -0.06 0.00 0.00 177.13 175.53 1a4v s SER 47 N -1.59 -0.08 0.00 4.31 1.04 -1.26 -4.82 113.70 111.30 1a4v s SER 47 Ca 0.24 -0.48 -0.01 0.00 0.48 0.00 0.00 55.95 56.18 1a4v s SER 47 Cb 0.11 0.44 -0.01 0.00 0.10 0.00 0.00 66.02 66.67 1a4v s SER 47 CO 0.18 -0.85 0.01 -0.89 0.98 0.00 0.00 173.24 172.67 1a4v s THR 48 N -2.70 0.05 -0.04 2.02 2.01 -1.26 -1.28 115.64 114.44 1a4v s THR 48 Ca 0.17 -0.43 0.06 0.00 0.31 0.00 0.00 61.69 61.80 1a4v s THR 48 Cb -0.01 -0.16 -0.02 0.00 0.01 0.00 0.00 72.50 72.32 1a4v s THR 48 CO 0.03 -0.24 -0.23 -1.61 -0.69 0.00 0.00 174.62 171.88 1a4v s GLU 49 N -0.71 2.36 -0.05 4.92 2.02 -0.42 -1.92 118.70 124.91 1a4v s GLU 49 Ca -0.08 -0.87 0.04 0.00 0.02 0.00 0.00 54.97 54.09 1a4v s GLU 49 Cb -0.05 -2.16 -0.02 0.00 0.10 0.00 0.00 34.13 32.00 1a4v s GLU 49 CO -0.00 0.51 -0.17 0.71 0.02 0.00 0.00 175.26 176.33 1a4v s TYR 50 N -0.47 2.63 0.00 1.61 2.02 0.03 -1.78 117.35 121.40 1a4v s TYR 50 Ca 0.06 -0.24 0.00 0.00 -0.37 0.00 0.00 57.07 56.51 1a4v s TYR 50 Cb -0.11 -1.61 0.00 0.00 -0.40 0.00 0.00 41.96 39.83 1a4v s TYR 50 CO 0.01 0.12 0.00 0.41 -1.57 0.00 0.00 175.55 174.52 1a4v n GLY 51 N 2.39 0.66 0.36 0.71 0.00 0.83 -1.97 105.19 108.17 1a4v n GLY 51 Ca -0.17 -0.87 -0.06 0.00 0.00 0.00 0.00 46.02 44.92 1a4v n GLY 51 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1a4v h LEU 52 N 0.00 -1.29 -0.98 0.99 5.85 -1.72 -1.83 115.31 116.33 1a4v h LEU 52 Ca 0.00 0.24 0.00 0.00 0.84 0.00 0.00 57.88 58.96 1a4v h LEU 52 Cb 0.00 0.62 0.00 0.00 0.37 0.00 0.00 40.66 41.65 1a4v h LEU 52 CO 0.00 -0.31 0.00 0.49 -0.34 0.00 0.00 178.44 178.28 1a4v n PHE 53 N -5.43 0.12 -3.76 1.25 3.72 -1.26 -4.32 117.46 107.78 1a4v n PHE 53 Ca 0.04 -0.06 -0.32 0.00 -0.05 0.00 0.00 57.45 57.06 1a4v n PHE 53 Cb 0.36 0.00 0.03 0.00 -0.94 0.00 0.00 39.48 38.92 1a4v n PHE 53 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 1a4v n GLN 54 N 0.19 -1.02 -2.95 -1.08 1.13 -0.69 -4.91 117.38 108.04 1a4v n GLN 54 Ca 0.17 0.49 -0.40 0.00 -1.94 0.00 0.00 57.00 55.32 1a4v n GLN 54 Cb 0.32 -3.49 -0.04 0.00 0.11 0.00 0.00 30.24 27.14 1a4v n GLN 54 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1a4v s ILE 55 N -3.35 4.99 -0.06 5.09 1.01 -0.83 -4.49 121.20 123.56 1a4v s ILE 55 Ca 0.36 1.61 -0.27 0.00 0.00 0.00 0.00 60.65 62.34 1a4v s ILE 55 Cb -0.15 -4.11 -0.03 0.00 0.01 0.00 0.00 42.46 38.17 1a4v s ILE 55 CO 0.89 0.22 0.89 -0.55 0.00 0.00 0.00 174.94 176.38 1a4v s SER 56 N 0.87 7.19 0.00 3.58 0.15 -1.26 -0.79 113.70 123.45 1a4v s SER 56 Ca 0.41 1.45 0.14 0.00 0.70 0.00 0.00 55.95 58.65 1a4v s SER 56 Cb -0.18 -2.51 0.65 0.00 -1.71 0.00 0.00 66.02 62.27 1a4v s SER 56 CO 0.20 -0.26 1.39 -0.46 1.20 0.00 0.00 173.24 175.31 1a4v n ASN 57 N 4.20 0.00 0.20 5.45 2.04 -0.81 -1.40 115.26 124.94 1a4v n ASN 57 Ca 0.04 0.25 0.04 0.00 -0.44 0.00 0.00 54.58 54.47 1a4v n ASN 57 Cb 0.50 -0.37 0.42 0.00 -2.53 0.00 0.00 39.78 37.81 1a4v n ASN 57 CO 0.00 0.00 0.00 0.50 -0.44 0.00 0.00 177.26 177.32 1a4v h LYS 58 N 0.00 0.00 0.00 -3.83 3.64 -1.81 -3.42 116.57 111.15 1a4v h LYS 58 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1a4v h LYS 58 Cb 0.17 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.99 1a4v h LYS 58 CO 0.00 0.32 0.00 -0.11 -2.27 0.00 0.00 179.45 177.39 1a4v n LEU 59 N -4.01 0.00 -0.02 5.20 7.94 -1.12 -4.37 117.00 120.62 1a4v n LEU 59 Ca -0.02 0.00 -0.11 0.00 -1.11 0.00 0.00 56.01 54.77 1a4v n LEU 59 Cb 0.38 0.00 -0.14 0.00 0.53 0.00 0.00 43.42 44.19 1a4v n LEU 59 CO 0.37 0.00 -0.60 0.79 -1.11 0.00 0.00 177.39 176.84 1a4v n TRP 60 N -0.85 1.02 -4.18 1.96 7.02 -0.49 -1.63 117.44 120.29 1a4v n TRP 60 Ca 0.00 0.33 -0.11 0.00 -1.02 0.00 0.00 57.50 56.70 1a4v n TRP 60 Cb 0.00 -1.18 -0.10 0.00 -2.42 0.00 0.00 31.31 27.61 1a4v n TRP 60 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1a4v s LYS 62 N -4.03 4.05 0.00 0.00 2.20 -0.66 -4.50 119.74 116.79 1a4v s LYS 62 Ca 0.26 -0.30 -0.05 0.00 -0.36 0.00 0.00 55.97 55.52 1a4v s LYS 62 Cb 0.07 -3.31 -0.00 0.00 -1.51 0.00 0.00 37.83 33.07 1a4v s LYS 62 CO 0.04 0.26 0.09 0.45 -0.36 0.00 0.00 175.35 175.83 1a4v s SER 63 N 0.44 0.06 0.53 1.43 0.15 -1.26 -1.60 113.70 113.44 1a4v s SER 63 Ca 0.05 -0.22 0.35 0.00 0.70 0.00 0.00 55.95 56.84 1a4v s SER 63 Cb -0.12 0.18 1.86 0.00 -1.71 0.00 0.00 66.02 66.23 1a4v s SER 63 CO -0.00 -0.31 2.08 0.77 1.20 0.00 0.00 173.24 176.98 1a4v h SER 64 N 4.60 0.00 -0.53 5.45 4.64 -1.99 -2.70 113.55 123.02 1a4v h SER 64 Ca -0.30 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 60.91 1a4v h SER 64 Cb 1.20 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.27 1a4v h SER 64 CO 0.41 0.00 -0.07 -0.61 -0.87 0.00 0.00 176.83 175.69 1a4v h GLN 65 N 0.00 0.99 -3.14 4.77 4.15 -1.98 -3.38 115.11 116.52 1a4v h GLN 65 Ca 0.00 -0.35 -0.62 0.00 0.77 0.00 0.00 58.65 58.44 1a4v h GLN 65 Cb 0.08 -0.07 -0.41 0.00 0.21 0.00 0.00 27.48 27.29 1a4v h GLN 65 CO 0.00 1.03 -0.66 0.08 -1.93 0.00 0.00 178.83 177.35 1a4v s VAL 66 N -4.89 2.22 0.19 2.39 1.01 -1.02 -4.97 120.40 115.34 1a4v s VAL 66 Ca -0.12 -3.33 0.32 0.00 0.00 0.00 0.00 61.98 58.85 1a4v s VAL 66 Cb 0.12 -2.52 0.35 0.00 0.00 0.00 0.00 36.38 34.34 1a4v s VAL 66 CO 0.85 -0.90 2.00 1.55 0.00 0.00 0.00 175.10 178.60 1a4v h PRO 67 N 6.23 0.00 -0.07 2.72 0.13 -1.75 -2.48 132.00 136.77 1a4v h PRO 67 Ca 0.02 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.15 1a4v h PRO 67 Cb 0.87 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.00 1a4v h PRO 67 CO 0.62 0.06 0.00 0.00 -0.23 0.00 0.00 178.00 178.46 1a4v n GLN 68 N -3.21 1.34 -1.66 0.86 0.00 -1.26 -4.94 117.38 108.50 1a4v n GLN 68 Ca -0.00 -0.51 -0.44 0.00 0.00 0.00 0.00 57.00 56.05 1a4v n GLN 68 Cb 0.30 -1.35 -0.02 0.00 0.00 0.00 0.00 30.24 29.18 1a4v n GLN 68 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.06 177.51 1a4v n SER 69 N -0.28 2.34 0.27 2.61 2.88 -0.93 -4.88 113.62 115.62 1a4v n SER 69 Ca 0.15 1.17 0.18 0.00 -1.33 0.00 0.00 58.87 59.04 1a4v n SER 69 Cb 0.19 -1.40 0.77 0.00 -0.75 0.00 0.00 64.21 63.02 1a4v n SER 69 CO 0.00 0.00 0.00 0.03 -1.23 0.00 0.00 175.04 173.84 1a4v h ARG 70 N 3.15 0.00 -6.43 -1.46 3.08 -1.76 -3.47 114.38 107.48 1a4v h ARG 70 Ca -0.44 0.00 -0.48 0.00 0.07 0.00 0.00 59.98 59.13 1a4v h ARG 70 Cb 1.30 0.00 0.05 0.00 0.08 0.00 0.00 29.97 31.40 1a4v h ARG 70 CO 0.68 0.00 -0.96 -1.71 -1.07 0.00 0.00 179.97 176.91 1a4v n ASN 71 N -2.98 -4.73 -0.25 7.04 4.05 -0.80 -4.87 115.26 112.71 1a4v n ASN 71 Ca 0.00 -1.10 0.02 0.00 0.45 0.00 0.00 54.58 53.95 1a4v n ASN 71 Cb 0.25 -2.90 0.24 0.00 1.23 0.00 0.00 39.78 38.60 1a4v n ASN 71 CO 0.00 0.00 0.00 0.40 -3.05 0.00 0.00 177.26 174.61 1a4v h ILE 72 N -2.10 1.16 -0.17 -1.44 1.08 -1.32 -1.89 117.51 112.84 1a4v h ILE 72 Ca -0.68 -0.36 0.00 0.00 -0.39 0.00 0.00 64.86 63.44 1a4v h ILE 72 Cb 1.37 0.03 0.00 0.00 -3.07 0.00 0.00 36.82 35.15 1a4v h ILE 72 CO 0.50 0.19 0.00 0.00 -0.69 0.00 0.00 178.15 178.15 1a4v n ASP 74 N 0.00 -4.14 -3.55 0.00 2.03 -0.71 -4.96 116.55 105.21 1a4v n ASP 74 Ca 0.09 -1.28 -0.16 0.00 0.52 0.00 0.00 54.79 53.96 1a4v n ASP 74 Cb 0.18 -1.81 -0.06 0.00 -0.72 0.00 0.00 41.12 38.70 1a4v n ASP 74 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 1a4v s ILE 75 N -3.54 0.00 0.36 5.18 2.07 -1.26 -5.09 121.20 118.93 1a4v s ILE 75 Ca 0.49 0.00 -0.20 0.00 -1.41 0.00 0.00 60.65 59.53 1a4v s ILE 75 Cb -0.26 -1.00 -0.10 0.00 0.13 0.00 0.00 42.46 41.23 1a4v s ILE 75 CO 0.96 0.00 0.86 -0.94 -1.91 0.00 0.00 174.94 173.92 1a4v s SER 76 N -0.80 6.95 0.63 4.50 1.04 -1.26 -1.66 113.70 123.10 1a4v s SER 76 Ca -0.07 1.56 0.39 0.00 0.48 0.00 0.00 55.95 58.31 1a4v s SER 76 Cb -0.01 -2.48 2.15 0.00 0.10 0.00 0.00 66.02 65.77 1a4v s SER 76 CO 0.07 -0.24 2.30 0.00 0.98 0.00 0.00 173.24 176.35 1a4v h ASP 78 N 0.00 0.00 0.32 0.00 2.03 -1.93 -1.81 116.42 115.03 1a4v h ASP 78 Ca -0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 1a4v h ASP 78 Cb 0.06 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.56 1a4v h ASP 78 CO 0.00 0.12 0.00 0.29 -1.03 0.00 0.00 179.24 178.62 1a4v n LYS 79 N -3.84 0.08 -0.04 4.15 4.76 -0.92 -1.69 118.16 120.66 1a4v n LYS 79 Ca -0.02 0.24 0.12 0.00 -2.87 0.00 0.00 58.31 55.78 1a4v n LYS 79 Cb 0.22 -1.50 0.22 0.00 -1.84 0.00 0.00 35.03 32.13 1a4v n LYS 79 CO 0.00 0.00 0.00 1.19 -1.37 0.00 0.00 177.40 177.22 1a4v n PHE 80 N -1.39 0.12 0.71 2.13 3.72 -0.68 -4.29 117.46 117.77 1a4v n PHE 80 Ca 0.04 -0.06 0.07 0.00 -0.05 0.00 0.00 57.45 57.46 1a4v n PHE 80 Cb 0.12 0.00 -0.08 0.00 -0.94 0.00 0.00 39.48 38.58 1a4v n PHE 80 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 1a4v n LEU 81 N 1.10 0.74 -4.95 4.37 4.77 -0.68 -3.68 117.00 118.67 1a4v n LEU 81 Ca 0.16 -0.51 -0.29 0.00 -0.03 0.00 0.00 56.01 55.34 1a4v n LEU 81 Cb 0.54 0.00 0.18 0.00 -2.33 0.00 0.00 43.42 41.81 1a4v n LEU 81 CO 0.15 0.18 0.82 1.51 -1.33 0.00 0.00 177.39 178.73 1a4v s ASP 82 N -2.39 3.20 0.43 -1.43 1.47 -1.25 -4.43 116.67 112.26 1a4v s ASP 82 Ca 0.06 0.07 0.24 0.00 1.18 0.00 0.00 52.55 54.09 1a4v s ASP 82 Cb 0.11 -0.11 0.58 0.00 -0.34 0.00 0.00 42.92 43.16 1a4v s ASP 82 CO 0.61 -2.66 1.68 0.44 0.68 0.00 0.00 175.17 175.92 1a4v h ASP 83 N -1.49 0.00 -2.97 2.11 3.32 -1.93 -3.43 116.42 112.03 1a4v h ASP 83 Ca -0.42 0.00 -0.58 0.00 0.02 0.00 0.00 57.03 56.05 1a4v h ASP 83 Cb 1.23 0.00 -0.10 0.00 0.22 0.00 0.00 39.33 40.68 1a4v h ASP 83 CO 0.35 0.13 0.83 -0.62 -1.72 0.00 0.00 179.24 178.21 1a4v s ASP 84 N -6.15 6.33 0.00 6.45 2.15 -1.26 -4.91 116.67 119.27 1a4v s ASP 84 Ca 0.04 -0.26 0.08 0.00 0.43 0.00 0.00 52.55 52.84 1a4v s ASP 84 Cb 0.07 -2.51 0.32 0.00 -0.30 0.00 0.00 42.92 40.50 1a4v s ASP 84 CO 0.65 -1.48 1.23 2.30 -0.17 0.00 0.00 175.17 177.71 1a4v n ILE 85 N 6.39 0.18 0.15 4.11 -5.35 -1.26 -4.35 119.36 119.23 1a4v n ILE 85 Ca 0.04 -0.20 -0.14 0.00 -0.27 0.00 0.00 62.75 62.19 1a4v n ILE 85 Cb 0.48 0.08 -0.07 0.00 -1.74 0.00 0.00 39.64 38.39 1a4v n ILE 85 CO 0.00 0.00 0.00 0.74 -1.76 0.00 0.00 176.55 175.53 1a4v h THR 86 N 0.92 0.69 0.00 7.28 2.02 -1.96 -0.11 112.91 121.75 1a4v h THR 86 Ca 0.00 0.00 -0.06 0.00 0.77 0.00 0.00 66.41 67.12 1a4v h THR 86 Cb 0.21 0.69 -0.01 0.00 -1.74 0.00 0.00 68.15 67.30 1a4v h THR 86 CO 0.00 0.00 -0.28 -2.24 0.37 0.00 0.00 175.52 173.37 1a4v h ASP 87 N -0.36 0.00 -0.46 4.18 3.04 -1.92 -1.90 116.42 119.00 1a4v h ASP 87 Ca -0.02 0.00 -0.04 0.00 -3.24 0.00 0.00 57.03 53.73 1a4v h ASP 87 Cb 0.30 0.00 -0.02 0.00 -1.04 0.00 0.00 39.33 38.57 1a4v h ASP 87 CO 0.01 0.28 0.13 0.44 -2.04 0.00 0.00 179.24 178.07 1a4v h ASP 88 N 0.00 0.68 -0.60 4.15 5.19 -1.66 -1.76 116.42 122.41 1a4v h ASP 88 Ca -0.00 -0.22 -0.02 0.00 -0.62 0.00 0.00 57.03 56.17 1a4v h ASP 88 Cb 0.53 -0.18 -0.03 0.00 0.18 0.00 0.00 39.33 39.83 1a4v h ASP 88 CO 0.04 0.71 0.29 0.40 -3.12 0.00 0.00 179.24 177.56 1a4v h ILE 89 N 0.61 1.21 -0.86 0.35 2.04 -0.63 0.37 117.51 120.59 1a4v h ILE 89 Ca 0.15 -0.60 -0.01 0.00 1.00 0.00 0.00 64.86 65.40 1a4v h ILE 89 Cb 0.29 0.49 -0.04 0.00 -0.74 0.00 0.00 36.82 36.82 1a4v h ILE 89 CO -0.00 0.24 0.50 -0.03 0.00 0.00 0.00 178.15 178.86 1a4v h MET 90 N 0.83 1.18 -0.32 2.37 4.05 -1.01 0.37 114.93 122.40 1a4v h MET 90 Ca 0.21 -0.12 -0.18 0.00 -0.28 0.00 0.00 59.70 59.33 1a4v h MET 90 Cb 0.12 -0.24 -0.00 0.00 -0.80 0.00 0.00 31.60 30.67 1a4v h MET 90 CO -0.03 0.84 -0.50 0.00 0.23 0.00 0.00 176.91 177.46 1a4v h ALA 92 N 0.71 1.42 0.00 0.00 0.00 -0.62 -0.44 119.26 120.33 1a4v h ALA 92 Ca 0.03 -0.07 -0.06 0.00 0.00 0.00 0.00 54.91 54.81 1a4v h ALA 92 Cb 1.10 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 1a4v h ALA 92 CO 0.11 0.52 -0.28 0.87 0.00 0.00 0.00 179.25 180.48 1a4v h LYS 93 N 1.04 0.00 -0.20 0.00 1.57 -0.79 -1.20 116.57 116.98 1a4v h LYS 93 Ca 0.28 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.95 1a4v h LYS 93 Cb -0.08 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.23 1a4v h LYS 93 CO -0.06 0.28 -0.30 -0.22 -0.57 0.00 0.00 179.45 178.58 1a4v h LYS 94 N 0.00 0.56 -0.28 3.15 3.64 -0.92 -1.96 116.57 120.76 1a4v h LYS 94 Ca -0.00 -0.33 0.01 0.00 -1.27 0.00 0.00 60.65 59.05 1a4v h LYS 94 Cb 0.54 0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.37 1a4v h LYS 94 CO 0.04 0.93 0.17 0.82 -2.27 0.00 0.00 179.45 179.14 1a4v h ILE 95 N 0.23 1.05 -0.86 2.00 2.04 -0.70 -1.61 117.51 119.66 1a4v h ILE 95 Ca 0.02 -0.12 0.10 0.00 1.00 0.00 0.00 64.86 65.86 1a4v h ILE 95 Cb 0.88 0.66 -0.07 0.00 -0.74 0.00 0.00 36.82 37.55 1a4v h ILE 95 CO 0.07 0.06 0.51 -0.07 0.00 0.00 0.00 178.15 178.72 1a4v h LEU 96 N 0.35 0.73 -0.57 1.44 -0.00 -1.24 -0.17 115.31 115.86 1a4v h LEU 96 Ca 0.11 0.05 -0.12 0.00 -0.00 0.00 0.00 57.88 57.92 1a4v h LEU 96 Cb -0.02 -0.10 -0.02 0.00 -0.00 0.00 0.00 40.66 40.52 1a4v h LEU 96 CO -0.04 0.41 -0.12 0.44 -0.00 0.00 0.00 178.44 179.14 1a4v h ASP 97 N 0.84 1.02 0.01 -0.43 3.32 -1.15 -3.16 116.42 116.88 1a4v h ASP 97 Ca 0.42 -0.34 -0.33 0.00 0.02 0.00 0.00 57.03 56.79 1a4v h ASP 97 Cb 0.37 -0.28 -0.05 0.00 0.22 0.00 0.00 39.33 39.60 1a4v h ASP 97 CO -0.25 1.14 -1.79 -0.38 -1.72 0.00 0.00 179.24 176.24 1a4v n ILE 98 N -4.14 1.54 -0.13 0.35 5.41 -0.62 -4.81 119.36 116.96 1a4v n ILE 98 Ca 0.01 -0.20 -0.25 0.00 1.00 0.00 0.00 62.75 63.32 1a4v n ILE 98 Cb 0.41 -1.95 -0.11 0.00 -0.71 0.00 0.00 39.64 37.28 1a4v n ILE 98 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 176.55 177.72 1a4v n LYS 99 N -4.29 0.62 0.00 0.38 3.00 -0.18 -5.11 118.16 112.57 1a4v n LYS 99 Ca -0.41 0.23 0.00 0.00 -0.00 0.00 0.00 58.31 58.13 1a4v n LYS 99 Cb 0.78 -1.52 0.00 0.00 0.00 0.00 0.00 35.03 34.30 1a4v n LYS 99 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1a4v n GLY 100 N 1.67 0.91 0.29 3.14 0.00 -0.58 -4.70 105.19 105.92 1a4v n GLY 100 Ca -0.50 -2.20 0.15 0.00 0.00 0.00 0.00 46.02 43.47 1a4v n GLY 100 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1a4v h ILE 101 N 0.00 0.50 0.00 -0.61 6.09 -1.87 -2.97 117.51 118.65 1a4v h ILE 101 Ca 0.00 -0.09 0.00 0.00 -1.37 0.00 0.00 64.86 63.40 1a4v h ILE 101 Cb 0.00 1.06 0.00 0.00 0.47 0.00 0.00 36.82 38.35 1a4v h ILE 101 CO 0.00 0.02 0.00 -0.90 -3.07 0.00 0.00 178.15 174.20 1a4v n ASP 102 N -3.77 0.00 -0.01 2.19 5.75 -1.26 -2.21 116.55 117.25 1a4v n ASP 102 Ca -0.03 -0.30 0.00 0.00 -0.01 0.00 0.00 54.79 54.45 1a4v n ASP 102 Cb 0.11 0.00 0.31 0.00 -1.03 0.00 0.00 41.12 40.51 1a4v n ASP 102 CO 0.00 0.00 0.00 0.22 -0.11 0.00 0.00 177.20 177.31 1a4v h TYR 103 N 0.00 0.55 -3.57 2.11 3.20 -1.84 -3.40 116.97 114.02 1a4v h TYR 103 Ca 0.00 -0.04 -0.69 0.00 3.14 0.00 0.00 58.73 61.13 1a4v h TYR 103 Cb 0.00 -0.17 -0.19 0.00 1.54 0.00 0.00 36.73 37.91 1a4v h TYR 103 CO 0.00 0.51 -0.31 -1.58 -1.64 0.00 0.00 178.16 175.14 1a4v s TRP 104 N -5.07 3.20 0.32 -3.82 0.51 -0.94 -4.98 118.94 108.17 1a4v s TRP 104 Ca -0.08 -0.35 0.03 0.00 -2.12 0.00 0.00 56.10 53.59 1a4v s TRP 104 Cb 0.16 -2.72 0.63 0.00 -0.81 0.00 0.00 33.47 30.73 1a4v s TRP 104 CO 0.76 -0.58 1.91 1.25 -0.51 0.00 0.00 176.95 179.78 1a4v h LEU 105 N 8.82 0.81 -2.59 2.99 5.85 -1.87 -2.69 115.31 126.63 1a4v h LEU 105 Ca -0.28 0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.46 1a4v h LEU 105 Cb 1.12 -0.15 -0.00 0.00 0.37 0.00 0.00 40.66 42.00 1a4v h LEU 105 CO 0.74 0.49 -0.01 0.00 -0.34 0.00 0.00 178.44 179.33 1a4v h ALA 106 N 1.55 1.33 0.39 1.25 0.00 -1.94 -3.19 119.26 118.65 1a4v h ALA 106 Ca 0.39 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.27 1a4v h ALA 106 Cb 0.33 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1a4v h ALA 106 CO -0.16 0.01 -0.19 1.25 0.00 0.00 0.00 179.25 180.17 1a4v h HIS 107 N 0.00 -0.48 0.00 0.00 -0.00 -1.81 -1.82 115.15 111.04 1a4v h HIS 107 Ca -0.00 -0.01 -0.07 0.00 -0.00 0.00 0.00 60.37 60.29 1a4v h HIS 107 Cb 0.03 0.16 -0.01 0.00 -0.00 0.00 0.00 27.41 27.59 1a4v h HIS 107 CO 0.00 -0.24 -0.35 0.87 -0.00 0.00 0.00 177.93 178.21 1a4v h LYS 108 N -0.61 0.00 0.19 5.26 6.56 -1.76 -1.47 116.57 124.74 1a4v h LYS 108 Ca -0.05 0.00 -0.33 0.00 -1.06 0.00 0.00 60.65 59.21 1a4v h LYS 108 Cb 0.45 0.00 0.02 0.00 -0.57 0.00 0.00 32.23 32.13 1a4v h LYS 108 CO 0.09 0.35 -1.54 0.00 -2.06 0.00 0.00 179.45 176.28 1a4v h ALA 109 N 1.65 0.06 0.00 3.86 0.00 -1.54 -3.43 119.26 119.87 1a4v h ALA 109 Ca -0.00 -1.00 0.00 0.00 0.00 0.00 0.00 54.91 53.90 1a4v h ALA 109 Cb 0.85 0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.91 1a4v h ALA 109 CO 0.05 0.93 0.00 1.28 0.00 0.00 0.00 179.25 181.51 1a4v n LEU 110 N -3.59 0.15 -1.00 0.00 4.77 -0.69 -4.87 117.00 111.76 1a4v n LEU 110 Ca -0.18 -0.21 -0.02 0.00 -0.03 0.00 0.00 56.01 55.57 1a4v n LEU 110 Cb 1.07 0.00 0.18 0.00 -2.33 0.00 0.00 43.42 42.34 1a4v n LEU 110 CO 0.55 0.04 0.47 0.00 -1.33 0.00 0.00 177.39 177.11 1a4v n THR 112 N -1.07 0.88 -3.76 0.00 -2.24 -1.23 -4.82 114.28 102.04 1a4v n THR 112 Ca 0.28 -0.94 -0.06 0.00 -2.27 0.00 0.00 64.05 61.06 1a4v n THR 112 Cb 0.84 0.58 -0.02 0.00 -2.10 0.00 0.00 70.33 69.64 1a4v n THR 112 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1a4v s GLU 113 N -0.96 1.43 -1.60 -0.78 0.41 -1.26 -4.96 118.70 110.98 1a4v s GLU 113 Ca 0.16 -0.76 -0.03 0.00 -0.41 0.00 0.00 54.97 53.92 1a4v s GLU 113 Cb 0.08 0.50 0.01 0.00 -1.78 0.00 0.00 34.13 32.95 1a4v s GLU 113 CO 0.11 -0.65 0.38 1.63 -0.49 0.00 0.00 175.26 176.24 1a4v n LYS 114 N -0.45 -3.65 0.09 1.61 5.02 -1.26 -4.90 118.16 114.62 1a4v n LYS 114 Ca -0.06 0.91 0.11 0.00 -2.02 0.00 0.00 58.31 57.25 1a4v n LYS 114 Cb 0.60 -5.69 0.45 0.00 -0.02 0.00 0.00 35.03 30.37 1a4v n LYS 114 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1a4v n LEU 115 N -3.63 0.51 -0.20 -0.35 7.99 -1.26 -3.71 117.00 116.34 1a4v n LEU 115 Ca -0.15 0.59 0.03 0.00 -0.01 0.00 0.00 56.01 56.47 1a4v n LEU 115 Cb 0.64 -0.49 0.28 0.00 -0.11 0.00 0.00 43.42 43.74 1a4v n LEU 115 CO 0.40 -0.35 1.23 -0.33 -1.51 0.00 0.00 177.39 176.83 1a4v h GLU 116 N 0.00 0.90 0.00 3.23 3.07 -1.99 -1.39 114.58 118.40 1a4v h GLU 116 Ca 0.00 -0.05 -0.01 0.00 -0.50 0.00 0.00 59.36 58.79 1a4v h GLU 116 Cb 0.45 -0.20 -0.00 0.00 -0.84 0.00 0.00 28.75 28.15 1a4v h GLU 116 CO 0.00 0.60 -0.05 -0.56 -1.40 0.00 0.00 179.01 177.59 1a4v h GLN 117 N 0.93 0.00 -0.28 2.33 3.07 -1.99 -2.68 115.11 116.49 1a4v h GLN 117 Ca 0.29 0.00 0.00 0.00 0.09 0.00 0.00 58.65 59.03 1a4v h GLN 117 Cb 0.01 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.57 1a4v h GLN 117 CO -0.08 0.05 0.00 0.91 0.09 0.00 0.00 178.83 179.80 1a4v n TRP 118 N -3.44 0.33 -3.44 0.06 7.02 -0.52 -4.87 117.44 112.57 1a4v n TRP 118 Ca -0.02 -0.15 -0.36 0.00 -1.02 0.00 0.00 57.50 55.95 1a4v n TRP 118 Cb 0.18 -0.02 -0.06 0.00 -2.42 0.00 0.00 31.31 28.99 1a4v n TRP 118 CO 0.00 0.00 0.00 -1.17 -2.02 0.00 0.00 177.69 174.50 1a4v s LEU 119 N -0.98 4.38 0.10 -0.99 2.96 -1.01 -4.68 118.68 118.45 1a4v s LEU 119 Ca 0.15 0.98 -0.30 0.00 -0.22 0.00 0.00 54.13 54.74 1a4v s LEU 119 Cb 0.08 -3.04 -0.06 0.00 0.50 0.00 0.00 46.19 43.68 1a4v s LEU 119 CO 0.10 0.18 0.96 0.00 -1.32 0.00 0.00 176.35 176.27 1a4v n GLU 121 N 2.89 0.00 -3.64 0.00 4.07 -1.26 -5.05 120.64 117.65 1a4v n GLU 121 Ca 0.03 0.00 -0.05 0.00 -0.06 0.00 0.00 57.16 57.08 1a4v n GLU 121 Cb 0.49 0.00 -0.07 0.00 -0.06 0.00 0.00 31.44 31.81 1a4v n GLU 121 CO 0.00 0.00 0.00 -1.59 -0.06 0.00 0.00 177.13 175.48 1a4v s LYS 122 N 0.00 0.47 0.00 5.31 -2.85 -1.26 -5.18 119.74 116.23 1a4v s LYS 122 Ca 0.00 0.75 0.00 0.00 -1.00 0.00 0.00 55.97 55.72 1a4v s LYS 122 Cb 0.00 0.13 0.00 0.00 -2.06 0.00 0.00 37.83 35.90 1a4v s LYS 122 CO 0.00 -0.09 0.48 -0.11 0.10 0.00 0.00 175.35 175.73