#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hsr h SER 4 N 0.00 0.00 0.64 1.61 4.64 -2.04 -1.45 113.55 116.95 3hsr h SER 4 Ca 0.00 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.29 3hsr h SER 4 Cb 0.00 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3hsr h SER 4 CO 0.00 0.05 -0.14 0.45 -0.87 0.00 0.00 176.83 176.32 3hsr h HIS 5 N 0.00 0.00 0.00 4.77 -0.00 -2.04 0.76 115.15 118.64 3hsr h HIS 5 Ca -0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 60.37 60.34 3hsr h HIS 5 Cb 0.10 0.00 -0.00 0.00 -0.00 0.00 0.00 27.41 27.50 3hsr h HIS 5 CO 0.00 0.14 -0.26 1.98 -0.00 0.00 0.00 177.93 179.79 3hsr h MET 6 N 0.00 0.00 -0.02 2.45 1.85 -1.73 -3.28 114.93 114.19 3hsr h MET 6 Ca -0.00 0.00 -0.18 0.00 -0.61 0.00 0.00 59.70 58.91 3hsr h MET 6 Cb 0.50 0.00 -0.01 0.00 0.43 0.00 0.00 31.60 32.52 3hsr h MET 6 CO 0.02 0.44 -0.78 0.10 -0.40 0.00 0.00 176.91 176.29 3hsr h TYR 7 N -1.00 0.31 -0.44 1.39 -0.00 -1.19 -1.40 116.97 114.64 3hsr h TYR 7 Ca -0.05 -0.15 -0.10 0.00 -0.00 0.00 0.00 58.73 58.43 3hsr h TYR 7 Cb 0.57 -0.04 -0.01 0.00 -0.00 0.00 0.00 36.73 37.24 3hsr h TYR 7 CO 0.06 0.91 -0.12 -0.07 -0.00 0.00 0.00 178.16 178.94 3hsr h LEU 8 N 0.14 0.87 -0.69 0.10 3.38 -1.08 -3.00 115.31 115.03 3hsr h LEU 8 Ca -0.03 -0.37 -0.04 0.00 0.09 0.00 0.00 57.88 57.54 3hsr h LEU 8 Cb 1.36 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 41.84 3hsr h LEU 8 CO 0.12 1.04 0.29 0.77 0.09 0.00 0.00 178.44 180.74 3hsr h SER 9 N 0.70 0.95 -0.96 -0.43 4.64 -1.57 -1.52 113.55 115.36 3hsr h SER 9 Ca 0.11 -0.17 0.04 0.00 -0.47 0.00 0.00 61.79 61.31 3hsr h SER 9 Cb 0.66 -0.25 -0.06 0.00 -0.31 0.00 0.00 62.40 62.45 3hsr h SER 9 CO 0.05 0.85 0.62 0.11 -0.87 0.00 0.00 176.83 177.59 3hsr h LYS 10 N 0.98 1.16 -0.43 4.77 1.57 -1.25 -0.70 116.57 122.68 3hsr h LYS 10 Ca 0.23 -0.07 -0.09 0.00 -1.87 0.00 0.00 60.65 58.85 3hsr h LYS 10 Cb 0.19 -0.26 -0.01 0.00 0.08 0.00 0.00 32.23 32.23 3hsr h LYS 10 CO -0.02 0.77 -0.09 1.96 -0.57 0.00 0.00 179.45 181.50 3hsr h GLN 11 N 1.19 0.82 0.26 3.15 1.08 -1.29 -1.24 115.11 119.08 3hsr h GLN 11 Ca 0.39 -0.30 -0.01 0.00 -1.45 0.00 0.00 58.65 57.27 3hsr h GLN 11 Cb 0.04 -0.05 0.00 0.00 -0.05 0.00 0.00 27.48 27.42 3hsr h GLN 11 CO -0.13 0.93 -0.13 -0.07 -0.95 0.00 0.00 178.83 178.48 3hsr h LEU 12 N 0.64 -0.30 -0.74 1.46 3.38 -0.82 -1.53 115.31 117.40 3hsr h LEU 12 Ca 0.11 -0.09 0.11 0.00 0.09 0.00 0.00 57.88 58.10 3hsr h LEU 12 Cb 0.61 0.08 -0.12 0.00 0.09 0.00 0.00 40.66 41.32 3hsr h LEU 12 CO 0.04 -0.09 -0.42 0.00 0.09 0.00 0.00 178.44 178.06 3hsr h PHE 14 N -0.13 1.11 -0.07 0.00 3.57 -1.15 -1.24 116.94 119.03 3hsr h PHE 14 Ca 0.23 -0.28 -0.16 0.00 3.53 0.00 0.00 57.97 61.29 3hsr h PHE 14 Cb 0.56 -0.26 -0.01 0.00 2.79 0.00 0.00 35.95 39.03 3hsr h PHE 14 CO -0.78 1.10 -0.67 -0.07 -2.23 0.00 0.00 178.31 175.66 3hsr h LEU 15 N 0.81 0.34 -0.54 0.59 3.38 -0.96 -0.71 115.31 118.22 3hsr h LEU 15 Ca 0.10 -0.21 -0.15 0.00 0.09 0.00 0.00 57.88 57.71 3hsr h LEU 15 Cb 0.81 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.45 3hsr h LEU 15 CO 0.07 0.91 -0.39 -0.26 0.09 0.00 0.00 178.44 178.86 3hsr h PHE 16 N 0.21 0.90 -0.10 1.13 0.04 -0.69 -1.80 116.94 116.62 3hsr h PHE 16 Ca -0.02 -0.26 0.02 0.00 2.80 0.00 0.00 57.97 60.51 3hsr h PHE 16 Cb 1.21 -0.19 -0.02 0.00 2.20 0.00 0.00 35.95 39.15 3hsr h PHE 16 CO 0.03 1.02 -0.00 -0.92 -0.60 0.00 0.00 178.31 177.84 3hsr h TYR 17 N 0.62 -0.01 0.07 -0.55 3.20 -0.67 0.04 116.97 119.66 3hsr h TYR 17 Ca 0.05 0.01 -0.00 0.00 3.14 0.00 0.00 58.73 61.93 3hsr h TYR 17 Cb 0.94 0.02 0.00 0.00 1.54 0.00 0.00 36.73 39.23 3hsr h TYR 17 CO 0.05 -0.02 -0.03 0.28 -1.64 0.00 0.00 178.16 176.80 3hsr h VAL 18 N 0.03 1.18 -0.09 1.81 2.07 -1.15 -2.63 116.25 117.47 3hsr h VAL 18 Ca 0.05 -0.93 0.00 0.00 0.82 0.00 0.00 66.70 66.64 3hsr h VAL 18 Cb 0.06 1.78 -0.01 0.00 -1.52 0.00 0.00 31.29 31.61 3hsr h VAL 18 CO -0.08 0.23 0.05 0.77 0.02 0.00 0.00 177.57 178.56 3hsr h SER 19 N -0.52 0.09 0.11 0.57 4.64 -1.32 -2.42 113.55 114.70 3hsr h SER 19 Ca -0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 3hsr h SER 19 Cb 0.45 -0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 62.51 3hsr h SER 19 CO 0.02 0.06 -0.09 -1.28 -0.87 0.00 0.00 176.83 174.67 3hsr h SER 20 N 0.11 -0.24 -0.80 4.97 0.87 -1.05 -0.39 113.55 117.02 3hsr h SER 20 Ca 0.04 0.02 0.12 0.00 -1.23 0.00 0.00 61.79 60.74 3hsr h SER 20 Cb -0.00 0.08 -0.09 0.00 -0.44 0.00 0.00 62.40 61.95 3hsr h SER 20 CO -0.02 -0.15 0.41 0.50 -0.53 0.00 0.00 176.83 177.04 3hsr h LYS 21 N -0.22 0.61 0.05 2.24 3.64 -1.41 -0.52 116.57 120.95 3hsr h LYS 21 Ca -0.00 -0.04 -0.23 0.00 -1.27 0.00 0.00 60.65 59.11 3hsr h LYS 21 Cb 0.20 -0.14 -0.00 0.00 -0.41 0.00 0.00 32.23 31.88 3hsr h LYS 21 CO -0.01 0.40 -1.03 0.93 -2.27 0.00 0.00 179.45 177.47 3hsr h GLU 22 N 0.62 0.25 -0.05 1.90 4.39 -1.06 -2.33 114.58 118.29 3hsr h GLU 22 Ca 0.42 -0.33 -0.01 0.00 0.34 0.00 0.00 59.36 59.78 3hsr h GLU 22 Cb 0.53 0.11 -0.00 0.00 -0.10 0.00 0.00 28.75 29.29 3hsr h GLU 22 CO -0.33 1.08 -0.00 0.82 -1.16 0.00 0.00 179.01 179.42 3hsr h ILE 23 N 0.11 1.26 -0.58 3.13 2.04 -0.73 -2.95 117.51 119.79 3hsr h ILE 23 Ca -0.08 -0.80 0.07 0.00 1.00 0.00 0.00 64.86 65.06 3hsr h ILE 23 Cb 1.70 1.70 -0.03 0.00 -0.74 0.00 0.00 36.82 39.45 3hsr h ILE 23 CO 0.16 0.22 0.39 0.40 0.00 0.00 0.00 178.15 179.32 3hsr h ILE 24 N -0.21 0.96 -0.80 -0.67 2.04 -1.14 -0.66 117.51 117.03 3hsr h ILE 24 Ca 0.01 -0.17 0.00 0.00 1.00 0.00 0.00 64.86 65.71 3hsr h ILE 24 Cb 0.35 0.42 -0.04 0.00 -0.74 0.00 0.00 36.82 36.81 3hsr h ILE 24 CO 0.00 0.09 0.51 0.50 0.00 0.00 0.00 178.15 179.25 3hsr h LYS 25 N 0.50 1.07 -0.16 2.37 3.64 -1.25 0.34 116.57 123.08 3hsr h LYS 25 Ca 0.26 -0.08 -0.08 0.00 -1.27 0.00 0.00 60.65 59.48 3hsr h LYS 25 Cb 0.38 -0.23 -0.00 0.00 -0.41 0.00 0.00 32.23 31.96 3hsr h LYS 25 CO -0.07 0.73 -0.22 0.87 -2.27 0.00 0.00 179.45 178.48 3hsr h LYS 26 N 1.09 0.44 -0.34 1.90 1.57 -1.01 -2.54 116.57 117.68 3hsr h LYS 26 Ca 0.29 -0.25 0.04 0.00 -1.87 0.00 0.00 60.65 58.85 3hsr h LYS 26 Cb -0.09 0.02 -0.04 0.00 0.08 0.00 0.00 32.23 32.21 3hsr h LYS 26 CO -0.06 0.84 0.13 1.88 -0.57 0.00 0.00 179.45 181.67 3hsr h TYR 27 N 0.07 0.23 -0.87 -1.35 -1.99 -1.21 -2.30 116.97 109.55 3hsr h TYR 27 Ca 0.02 0.02 0.07 0.00 2.00 0.00 0.00 58.73 60.83 3hsr h TYR 27 Cb 0.79 -0.05 -0.06 0.00 2.00 0.00 0.00 36.73 39.41 3hsr h TYR 27 CO 0.09 0.10 0.56 1.15 -0.00 0.00 0.00 178.16 180.07 3hsr h THR 28 N 0.28 1.04 0.07 -2.88 2.02 -0.91 0.76 112.91 113.30 3hsr h THR 28 Ca 0.15 -0.33 -0.00 0.00 0.77 0.00 0.00 66.41 67.00 3hsr h THR 28 Cb 0.12 0.01 0.00 0.00 -1.74 0.00 0.00 68.15 66.54 3hsr h THR 28 CO -0.15 0.17 -0.03 -1.13 0.37 0.00 0.00 175.52 174.75 3hsr h ASN 29 N 0.95 -0.08 0.45 4.18 -0.73 -1.11 -2.78 115.58 116.46 3hsr h ASN 29 Ca 0.38 -0.09 -0.04 0.00 1.87 0.00 0.00 56.30 58.41 3hsr h ASN 29 Cb 0.24 0.02 -0.01 0.00 0.27 0.00 0.00 38.32 38.84 3hsr h ASN 29 CO -0.14 0.04 -0.21 1.88 -0.37 0.00 0.00 177.43 178.63 3hsr h TYR 30 N -0.19 0.00 0.00 0.67 0.05 -0.81 -3.06 116.97 113.63 3hsr h TYR 30 Ca -0.01 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.77 3hsr h TYR 30 Cb 0.16 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.90 3hsr h TYR 30 CO -0.04 0.21 -0.42 -0.07 -1.05 0.00 0.00 178.16 176.79 3hsr h LEU 31 N 0.00 0.00 -0.72 3.88 3.38 -0.79 -3.35 115.31 117.71 3hsr h LEU 31 Ca -0.00 -0.08 0.16 0.00 0.09 0.00 0.00 57.88 58.05 3hsr h LEU 31 Cb 0.50 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 41.13 3hsr h LEU 31 CO 0.03 0.04 0.07 0.50 0.09 0.00 0.00 178.44 179.17 3hsr h LYS 32 N 0.00 0.16 -0.69 1.13 3.64 -1.38 0.40 116.57 119.83 3hsr h LYS 32 Ca 0.00 -0.01 0.20 0.00 -1.27 0.00 0.00 60.65 59.57 3hsr h LYS 32 Cb 0.84 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 32.59 3hsr h LYS 32 CO 0.00 0.11 0.50 1.49 -2.27 0.00 0.00 179.45 179.27 3hsr h GLU 33 N 0.16 0.00 -0.01 1.90 4.81 -1.79 -2.33 114.58 117.32 3hsr h GLU 33 Ca 0.40 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.63 3hsr h GLU 33 Cb 0.70 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.08 3hsr h GLU 33 CO -0.58 0.00 -0.55 0.66 -0.73 0.00 0.00 179.01 177.81 3hsr n TYR 34 N -4.32 0.00 -3.42 0.92 4.01 0.08 -4.97 117.16 109.46 3hsr n TYR 34 Ca 0.14 0.00 -0.20 0.00 -0.16 0.00 0.00 57.90 57.68 3hsr n TYR 34 Cb 0.77 0.00 0.07 0.00 -0.31 0.00 0.00 39.34 39.87 3hsr n TYR 34 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 3hsr n ASP 35 N -0.22 -4.92 -4.23 7.72 2.03 -0.88 -5.01 116.55 111.04 3hsr n ASP 35 Ca 0.08 -0.49 -0.29 0.00 0.52 0.00 0.00 54.79 54.62 3hsr n ASP 35 Cb 0.45 -4.51 -0.16 0.00 -0.72 0.00 0.00 41.12 36.17 3hsr n ASP 35 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 3hsr s LEU 36 N -6.38 2.02 0.66 -2.67 1.43 -1.14 -5.07 118.68 107.53 3hsr s LEU 36 Ca 0.39 -0.42 -0.11 0.00 -1.03 0.00 0.00 54.13 52.96 3hsr s LEU 36 Cb -0.17 -1.17 -0.02 0.00 0.03 0.00 0.00 46.19 44.86 3hsr s LEU 36 CO 0.64 0.24 1.06 0.42 0.23 0.00 0.00 176.35 178.94 3hsr s THR 37 N -0.31 4.23 0.16 5.49 -4.23 -1.26 -4.48 115.64 115.24 3hsr s THR 37 Ca 0.03 0.72 -0.17 0.00 -1.18 0.00 0.00 61.69 61.09 3hsr s THR 37 Cb -0.11 -3.70 0.05 0.00 1.34 0.00 0.00 72.50 70.08 3hsr s THR 37 CO 0.01 -0.95 1.70 0.22 -0.54 0.00 0.00 174.62 175.06 3hsr h TYR 38 N -0.46 -0.06 -0.03 3.99 3.20 -1.94 -0.19 116.97 121.48 3hsr h TYR 38 Ca -0.44 0.03 -0.03 0.00 3.14 0.00 0.00 58.73 61.42 3hsr h TYR 38 Cb 1.21 0.08 -0.01 0.00 1.54 0.00 0.00 36.73 39.56 3hsr h TYR 38 CO 0.60 -0.09 -0.12 1.15 -1.64 0.00 0.00 178.16 178.06 3hsr h THR 39 N 0.07 1.11 -0.34 1.81 2.02 -1.99 -0.09 112.91 115.49 3hsr h THR 39 Ca 0.17 -0.49 -0.15 0.00 0.77 0.00 0.00 66.41 66.71 3hsr h THR 39 Cb 0.25 1.23 -0.01 0.00 -1.74 0.00 0.00 68.15 67.88 3hsr h THR 39 CO -0.31 0.14 -0.39 1.23 0.37 0.00 0.00 175.52 176.57 3hsr h GLY 40 N 0.45 0.90 0.99 2.16 0.00 -1.60 -1.88 103.07 104.09 3hsr h GLY 40 Ca 0.01 -0.92 -0.03 0.00 0.00 0.00 0.00 47.33 46.39 3hsr h GLY 40 CO 0.02 0.83 0.27 -1.82 0.00 0.00 0.00 176.54 175.83 3hsr h TYR 41 N 0.68 0.85 -0.56 5.60 3.20 -0.27 -1.01 116.97 125.46 3hsr h TYR 41 Ca 0.06 -0.05 0.02 0.00 3.14 0.00 0.00 58.73 61.90 3hsr h TYR 41 Cb 0.96 -0.26 -0.03 0.00 1.54 0.00 0.00 36.73 38.93 3hsr h TYR 41 CO 0.06 0.67 0.35 0.82 -1.64 0.00 0.00 178.16 178.41 3hsr h ILE 42 N 0.80 1.08 -0.11 1.81 1.08 -0.84 -1.15 117.51 120.19 3hsr h ILE 42 Ca 0.20 -0.24 0.01 0.00 -0.39 0.00 0.00 64.86 64.44 3hsr h ILE 42 Cb 0.14 0.33 -0.01 0.00 -3.07 0.00 0.00 36.82 34.21 3hsr h ILE 42 CO -0.02 0.13 0.01 0.58 -0.69 0.00 0.00 178.15 178.16 3hsr h VAL 43 N 0.69 0.94 -0.73 1.67 2.07 -0.97 -2.04 116.25 117.89 3hsr h VAL 43 Ca 0.22 -0.02 -0.07 0.00 0.82 0.00 0.00 66.70 67.66 3hsr h VAL 43 Cb -0.01 0.89 -0.03 0.00 -1.52 0.00 0.00 31.29 30.62 3hsr h VAL 43 CO -0.08 0.01 0.20 -0.07 0.02 0.00 0.00 177.57 177.65 3hsr h LEU 44 N 0.05 1.09 -1.55 2.57 3.38 -0.63 -1.30 115.31 118.93 3hsr h LEU 44 Ca 0.05 -0.22 -0.04 0.00 0.09 0.00 0.00 57.88 57.75 3hsr h LEU 44 Cb 0.05 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 40.50 3hsr h LEU 44 CO -0.07 1.03 -0.18 0.24 0.09 0.00 0.00 178.44 179.55 3hsr h MET 45 N 1.10 0.07 0.00 1.13 2.86 -1.14 -2.95 114.93 115.99 3hsr h MET 45 Ca 0.23 -0.01 -0.06 0.00 -2.06 0.00 0.00 59.70 57.80 3hsr h MET 45 Cb 0.35 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.99 3hsr h MET 45 CO -0.00 0.25 -0.26 0.00 1.06 0.00 0.00 176.91 177.95 3hsr h ALA 46 N 1.76 0.94 -2.29 6.32 0.00 -0.48 -3.43 119.26 122.07 3hsr h ALA 46 Ca 0.01 -0.24 -0.62 0.00 0.00 0.00 0.00 54.91 54.07 3hsr h ALA 46 Cb 0.36 -0.04 -0.12 0.00 0.00 0.00 0.00 17.79 17.99 3hsr h ALA 46 CO 0.02 0.33 0.25 0.42 0.00 0.00 0.00 179.25 180.27 3hsr s ILE 47 N -3.47 4.85 0.65 0.00 1.01 -1.10 -5.04 121.20 118.10 3hsr s ILE 47 Ca 0.02 0.85 -0.17 0.00 0.00 0.00 0.00 60.65 61.35 3hsr s ILE 47 Cb 0.09 -4.10 -0.01 0.00 0.01 0.00 0.00 42.46 38.45 3hsr s ILE 47 CO 0.66 -0.28 1.19 -1.61 0.00 0.00 0.00 174.94 174.90 3hsr s GLU 48 N 2.83 2.67 0.39 2.79 0.41 -1.26 -4.91 118.70 121.61 3hsr s GLU 48 Ca 0.28 1.75 0.14 0.00 -0.41 0.00 0.00 54.97 56.73 3hsr s GLU 48 Cb -0.14 -1.90 0.79 0.00 -1.78 0.00 0.00 34.13 31.09 3hsr s GLU 48 CO 0.14 -1.42 1.84 -0.91 -0.49 0.00 0.00 175.26 174.42 3hsr h ASN 49 N 0.38 0.00 -0.68 -0.19 4.21 -1.96 -2.83 115.58 114.52 3hsr h ASN 49 Ca -0.49 0.00 -0.15 0.00 1.21 0.00 0.00 56.30 56.87 3hsr h ASN 49 Cb 1.29 0.00 -0.09 0.00 -1.12 0.00 0.00 38.32 38.40 3hsr h ASN 49 CO 0.53 0.35 0.19 -0.90 -1.29 0.00 0.00 177.43 176.30 3hsr n ASP 50 N -4.02 5.04 -4.36 5.81 5.75 -1.26 -4.83 116.55 118.68 3hsr n ASP 50 Ca -0.02 -3.15 -0.32 0.00 -0.01 0.00 0.00 54.79 51.29 3hsr n ASP 50 Cb 0.40 -0.72 -0.15 0.00 -1.03 0.00 0.00 41.12 39.61 3hsr n ASP 50 CO 0.00 0.00 0.00 -0.70 -0.11 0.00 0.00 177.20 176.39 3hsr s GLU 51 N -2.94 2.46 -0.11 0.11 2.12 -1.07 -5.11 118.70 114.16 3hsr s GLU 51 Ca 0.55 -0.82 -0.00 0.00 0.36 0.00 0.00 54.97 55.05 3hsr s GLU 51 Cb 0.43 -2.23 -0.02 0.00 0.26 0.00 0.00 34.13 32.57 3hsr s GLU 51 CO 0.14 0.51 -0.10 0.21 -0.54 0.00 0.00 175.26 175.48 3hsr s LYS 52 N -0.46 3.19 -0.10 4.30 2.20 -1.26 -4.50 119.74 123.11 3hsr s LYS 52 Ca 0.05 -0.61 -0.11 0.00 -0.36 0.00 0.00 55.97 54.94 3hsr s LYS 52 Cb -0.12 -2.66 0.03 0.00 -1.51 0.00 0.00 37.83 33.57 3hsr s LYS 52 CO 0.01 0.38 0.30 -1.17 -0.36 0.00 0.00 175.35 174.52 3hsr s LEU 53 N -0.06 0.85 0.46 5.43 2.96 -0.63 -4.92 118.68 122.78 3hsr s LEU 53 Ca -0.01 0.55 -0.08 0.00 -0.22 0.00 0.00 54.13 54.37 3hsr s LEU 53 Cb -0.14 1.06 -0.05 0.00 0.50 0.00 0.00 46.19 47.57 3hsr s LEU 53 CO 0.03 -0.14 0.80 0.54 -1.32 0.00 0.00 176.35 176.26 3hsr s ASN 54 N -0.02 6.35 0.45 3.68 2.20 -1.26 0.31 114.94 126.66 3hsr s ASN 54 Ca -0.02 1.04 0.11 0.00 -0.94 0.00 0.00 52.86 53.05 3hsr s ASN 54 Cb -0.03 -2.29 1.02 0.00 -2.00 0.00 0.00 41.25 37.95 3hsr s ASN 54 CO 0.01 -0.54 2.09 -0.29 -2.94 0.00 0.00 177.10 175.43 3hsr h ILE 55 N 0.50 1.07 -0.22 0.54 2.10 -1.96 -1.51 117.51 118.03 3hsr h ILE 55 Ca -0.47 -0.14 -0.13 0.00 1.08 0.00 0.00 64.86 65.20 3hsr h ILE 55 Cb 1.20 0.73 -0.00 0.00 -1.09 0.00 0.00 36.82 37.66 3hsr h ILE 55 CO 0.62 0.07 -0.36 0.11 -1.08 0.00 0.00 178.15 177.51 3hsr h LYS 56 N 0.32 0.64 -0.81 2.19 1.79 -1.99 -0.94 116.57 117.77 3hsr h LYS 56 Ca 0.09 -0.39 -0.03 0.00 -2.18 0.00 0.00 60.65 58.14 3hsr h LYS 56 Cb -0.02 0.04 -0.04 0.00 -1.58 0.00 0.00 32.23 30.63 3hsr h LYS 56 CO -0.02 1.00 0.38 -0.22 -1.08 0.00 0.00 179.45 179.52 3hsr h LYS 57 N 0.33 1.17 -0.65 3.15 3.64 -1.82 -0.82 116.57 121.58 3hsr h LYS 57 Ca 0.02 -0.18 -0.06 0.00 -1.27 0.00 0.00 60.65 59.16 3hsr h LYS 57 Cb 0.95 -0.21 -0.03 0.00 -0.41 0.00 0.00 32.23 32.53 3hsr h LYS 57 CO 0.08 0.91 0.18 1.25 -2.27 0.00 0.00 179.45 179.60 3hsr h LEU 58 N 1.15 0.96 -0.54 5.20 5.85 -1.28 -0.79 115.31 125.87 3hsr h LEU 58 Ca 0.28 -0.22 -0.03 0.00 0.84 0.00 0.00 57.88 58.74 3hsr h LEU 58 Cb 0.13 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 40.88 3hsr h LEU 58 CO -0.03 0.94 0.21 1.23 -0.34 0.00 0.00 178.44 180.44 3hsr h GLY 59 N 0.95 0.87 0.45 3.75 0.00 -0.90 -1.78 103.07 106.41 3hsr h GLY 59 Ca 0.21 -0.48 0.04 0.00 0.00 0.00 0.00 47.33 47.10 3hsr h GLY 59 CO -0.00 0.45 -0.15 0.83 0.00 0.00 0.00 176.54 177.67 3hsr h GLU 60 N 0.74 -0.17 -0.92 4.80 5.08 -0.95 0.16 114.58 123.32 3hsr h GLU 60 Ca 0.18 0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.54 3hsr h GLU 60 Cb 0.21 0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.45 3hsr h GLU 60 CO -0.01 -0.12 0.55 -0.09 -1.00 0.00 0.00 179.01 178.34 3hsr h ARG 61 N -0.18 1.25 -0.48 2.33 2.43 -0.57 -2.54 114.38 116.61 3hsr h ARG 61 Ca 0.10 -0.12 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 3hsr h ARG 61 Cb 0.32 -0.26 0.00 0.00 -0.42 0.00 0.00 29.97 29.61 3hsr h ARG 61 CO -0.25 0.88 0.00 1.33 -1.51 0.00 0.00 179.97 180.42 3hsr n VAL 62 N -4.35 1.23 -3.57 0.20 0.24 -0.72 -4.99 118.33 106.37 3hsr n VAL 62 Ca 0.10 -1.11 -0.22 0.00 -2.04 0.00 0.00 64.34 61.07 3hsr n VAL 62 Cb 0.07 0.38 0.08 0.00 -1.47 0.00 0.00 33.84 32.90 3hsr n VAL 62 CO 0.00 0.00 0.00 0.49 -2.14 0.00 0.00 176.83 175.18 3hsr n PHE 63 N 0.79 -2.71 -4.67 6.34 3.01 0.42 -5.00 117.46 115.64 3hsr n PHE 63 Ca 0.18 1.00 -0.30 0.00 1.01 0.00 0.00 57.45 59.34 3hsr n PHE 63 Cb 0.58 -5.03 -0.14 0.00 -0.01 0.00 0.00 39.48 34.88 3hsr n PHE 63 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 3hsr s LEU 64 N -7.08 2.31 0.50 4.37 1.43 -0.43 -5.04 118.68 114.74 3hsr s LEU 64 Ca 0.44 -0.62 -0.13 0.00 -1.03 0.00 0.00 54.13 52.80 3hsr s LEU 64 Cb -0.20 -1.31 -0.06 0.00 0.03 0.00 0.00 46.19 44.65 3hsr s LEU 64 CO 0.73 0.23 0.92 -1.81 0.23 0.00 0.00 176.35 176.65 3hsr s ASP 65 N -1.59 6.49 0.35 2.29 1.01 -1.26 -4.46 116.67 119.50 3hsr s ASP 65 Ca 0.13 1.36 0.04 0.00 0.71 0.00 0.00 52.55 54.79 3hsr s ASP 65 Cb -0.10 -2.43 0.67 0.00 1.01 0.00 0.00 42.92 42.07 3hsr s ASP 65 CO 0.04 -0.59 1.96 0.28 0.21 0.00 0.00 175.17 177.08 3hsr h SER 66 N 0.72 0.73 -0.11 0.27 0.02 -1.97 -0.12 113.55 113.10 3hsr h SER 66 Ca -0.46 -0.00 0.03 0.00 -0.84 0.00 0.00 61.79 60.52 3hsr h SER 66 Cb 1.19 -0.16 -0.00 0.00 0.14 0.00 0.00 62.40 63.56 3hsr h SER 66 CO 0.62 0.49 0.14 1.23 -1.14 0.00 0.00 176.83 178.17 3hsr h GLY 67 N 0.84 0.00 0.23 -3.77 0.00 -2.01 0.84 103.07 99.20 3hsr h GLY 67 Ca 0.31 0.00 -0.35 0.00 0.00 0.00 0.00 47.33 47.30 3hsr h GLY 67 CO -0.10 0.00 -1.94 2.41 0.00 0.00 0.00 176.54 176.91 3hsr n THR 68 N -3.70 1.62 -0.18 4.70 -1.04 -0.18 -4.50 114.28 111.01 3hsr n THR 68 Ca -0.00 -0.41 -0.10 0.00 -2.04 0.00 0.00 64.05 61.49 3hsr n THR 68 Cb 0.24 -1.80 0.01 0.00 -1.82 0.00 0.00 70.33 66.96 3hsr n THR 68 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 3hsr h LEU 69 N -0.43 1.03 0.07 -4.42 5.85 -0.68 -3.12 115.31 113.62 3hsr h LEU 69 Ca -0.47 -0.36 0.01 0.00 0.84 0.00 0.00 57.88 57.90 3hsr h LEU 69 Cb 1.73 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 42.45 3hsr h LEU 69 CO -0.11 1.15 -0.35 0.74 -0.34 0.00 0.00 178.44 179.53 3hsr h THR 70 N 0.90 0.00 0.00 1.05 2.02 -1.08 0.19 112.91 115.99 3hsr h THR 70 Ca 0.14 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.29 3hsr h THR 70 Cb 0.69 0.00 -0.00 0.00 -1.74 0.00 0.00 68.15 67.10 3hsr h THR 70 CO 0.05 0.00 -0.14 1.55 0.37 0.00 0.00 175.52 177.35 3hsr h PRO 71 N -0.49 0.00 -0.23 6.66 0.13 -1.80 -2.75 132.00 133.52 3hsr h PRO 71 Ca -0.00 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 65.06 3hsr h PRO 71 Cb 0.50 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.62 3hsr h PRO 71 CO -0.20 0.14 -0.13 1.25 -0.23 0.00 0.00 178.00 178.83 3hsr h LEU 72 N 0.00 0.51 -1.88 1.56 5.85 -1.21 -2.64 115.31 117.50 3hsr h LEU 72 Ca -0.00 -0.42 -0.02 0.00 0.84 0.00 0.00 57.88 58.27 3hsr h LEU 72 Cb 0.30 -0.14 -0.00 0.00 0.37 0.00 0.00 40.66 41.18 3hsr h LEU 72 CO 0.02 0.83 -0.11 -0.07 -0.34 0.00 0.00 178.44 178.76 3hsr h LEU 73 N 0.20 0.00 -0.66 2.25 3.38 -0.48 -1.31 115.31 118.70 3hsr h LEU 73 Ca 0.05 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.95 3hsr h LEU 73 Cb 0.64 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.37 3hsr h LEU 73 CO 0.04 0.11 0.12 0.11 0.09 0.00 0.00 178.44 178.91 3hsr h LYS 74 N 0.00 1.07 -0.24 1.13 1.57 -1.21 0.87 116.57 119.76 3hsr h LYS 74 Ca -0.00 -0.28 -0.16 0.00 -1.87 0.00 0.00 60.65 58.34 3hsr h LYS 74 Cb 0.23 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.41 3hsr h LYS 74 CO 0.01 0.98 -0.46 0.87 -0.57 0.00 0.00 179.45 180.29 3hsr h LYS 75 N 0.99 0.74 -0.22 3.15 1.57 -0.96 -0.64 116.57 121.20 3hsr h LYS 75 Ca 0.20 -0.47 -0.07 0.00 -1.87 0.00 0.00 60.65 58.44 3hsr h LYS 75 Cb 0.42 0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.77 3hsr h LYS 75 CO 0.01 1.10 -0.18 -0.07 -0.57 0.00 0.00 179.45 179.74 3hsr h LEU 76 N 0.47 0.37 -0.36 2.94 3.38 -1.18 -1.28 115.31 119.64 3hsr h LEU 76 Ca 0.01 -0.10 -0.05 0.00 0.09 0.00 0.00 57.88 57.83 3hsr h LEU 76 Cb 1.06 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.70 3hsr h LEU 76 CO 0.10 0.57 0.03 1.05 0.09 0.00 0.00 178.44 180.28 3hsr h GLU 77 N 0.35 0.61 0.00 1.13 4.11 -0.63 -1.29 114.58 118.85 3hsr h GLU 77 Ca 0.06 -0.18 -0.00 0.00 0.07 0.00 0.00 59.36 59.31 3hsr h GLU 77 Cb 0.51 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.70 3hsr h GLU 77 CO 0.03 0.70 -0.01 0.87 0.07 0.00 0.00 179.01 180.67 3hsr h LYS 78 N 0.43 0.00 -0.33 1.06 1.57 -0.52 -1.08 116.57 117.71 3hsr h LYS 78 Ca 0.11 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.89 3hsr h LYS 78 Cb 0.40 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.71 3hsr h LYS 78 CO 0.01 0.01 0.00 1.63 -0.57 0.00 0.00 179.45 180.54 3hsr n LYS 79 N -3.14 2.09 -1.94 3.15 5.02 -0.54 -4.94 118.16 117.86 3hsr n LYS 79 Ca -0.01 -1.66 -0.16 0.00 -2.02 0.00 0.00 58.31 54.46 3hsr n LYS 79 Cb 0.22 -1.43 -0.03 0.00 -0.02 0.00 0.00 35.03 33.76 3hsr n LYS 79 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 3hsr n ASP 80 N 0.87 -4.86 -0.06 4.39 8.00 -0.41 -4.87 116.55 119.61 3hsr n ASP 80 Ca 0.17 0.16 -0.10 0.00 0.71 0.00 0.00 54.79 55.74 3hsr n ASP 80 Cb 0.44 -3.88 -0.15 0.00 -0.02 0.00 0.00 41.12 37.51 3hsr n ASP 80 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 3hsr n TYR 81 N -3.37 0.52 -4.22 1.24 4.01 -0.52 -3.96 117.16 110.86 3hsr n TYR 81 Ca -0.18 0.18 -0.20 0.00 -0.16 0.00 0.00 57.90 57.54 3hsr n TYR 81 Cb 0.59 -1.09 -0.12 0.00 -0.31 0.00 0.00 39.34 38.41 3hsr n TYR 81 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 3hsr s VAL 82 N -2.54 1.30 0.02 -0.72 1.01 -1.04 -2.25 120.40 116.17 3hsr s VAL 82 Ca -0.08 -1.36 0.01 0.00 0.00 0.00 0.00 61.98 60.54 3hsr s VAL 82 Cb 0.07 -1.22 -0.02 0.00 0.00 0.00 0.00 36.38 35.22 3hsr s VAL 82 CO 0.82 -0.16 -0.05 0.54 0.00 0.00 0.00 175.10 176.25 3hsr s VAL 83 N -1.22 0.29 0.13 2.92 0.11 -0.10 -4.17 120.40 118.36 3hsr s VAL 83 Ca 0.01 -0.79 -0.02 0.00 -2.93 0.00 0.00 61.98 58.24 3hsr s VAL 83 Cb -0.10 -0.37 -0.05 0.00 -1.53 0.00 0.00 36.38 34.33 3hsr s VAL 83 CO 0.03 -0.33 0.33 -0.13 -3.33 0.00 0.00 175.10 171.67 3hsr s ARG 84 N -1.19 3.55 0.33 1.54 0.52 -1.26 -0.93 118.95 121.51 3hsr s ARG 84 Ca -0.10 -0.25 0.03 0.00 -0.52 0.00 0.00 55.73 54.89 3hsr s ARG 84 Cb -0.08 -2.90 -0.05 0.00 0.52 0.00 0.00 34.95 32.44 3hsr s ARG 84 CO -0.00 0.50 0.09 0.99 0.02 0.00 0.00 175.30 176.89 3hsr s THR 85 N -1.66 0.84 -0.44 0.02 2.01 -0.71 -4.94 115.64 110.76 3hsr s THR 85 Ca 0.39 -2.00 -0.06 0.00 0.31 0.00 0.00 61.69 60.32 3hsr s THR 85 Cb -0.12 -2.63 0.11 0.00 0.01 0.00 0.00 72.50 69.87 3hsr s THR 85 CO 0.26 0.00 0.27 0.00 -0.69 0.00 0.00 174.62 174.47 3hsr s ARG 86 N -3.88 2.27 -0.27 4.92 3.03 -1.26 -2.98 118.95 120.79 3hsr s ARG 86 Ca 0.34 -1.77 -0.07 0.00 2.03 0.00 0.00 55.73 56.26 3hsr s ARG 86 Cb 0.07 -3.76 -0.01 0.00 -1.03 0.00 0.00 34.95 30.22 3hsr s ARG 86 CO 0.15 -1.12 0.06 -1.17 -1.13 0.00 0.00 175.30 172.09 3hsr s LEU 94 N 1.27 3.57 0.81 -1.89 2.96 -1.26 -5.24 118.68 118.90 3hsr s LEU 94 Ca 0.07 -0.47 -0.12 0.00 -0.22 0.00 0.00 54.13 53.39 3hsr s LEU 94 Cb -0.24 -1.88 0.08 0.00 0.50 0.00 0.00 46.19 44.64 3hsr s LEU 94 CO -0.02 -0.11 1.16 -1.10 -1.32 0.00 0.00 176.35 174.96 3hsr s GLN 95 N 1.55 1.93 0.01 1.98 -1.52 -1.16 -4.70 119.66 117.75 3hsr s GLN 95 Ca 0.05 0.18 0.07 0.00 -1.95 0.00 0.00 55.36 53.71 3hsr s GLN 95 Cb -0.16 -1.94 -0.03 0.00 -0.22 0.00 0.00 33.01 30.66 3hsr s GLN 95 CO 0.02 -1.63 -0.19 0.42 -0.25 0.00 0.00 175.29 173.66 3hsr s ILE 96 N -3.50 2.68 0.28 1.08 1.01 0.15 -1.74 121.20 121.16 3hsr s ILE 96 Ca 0.62 -1.08 -0.16 0.00 0.00 0.00 0.00 60.65 60.04 3hsr s ILE 96 Cb -0.12 -2.07 0.01 0.00 0.01 0.00 0.00 42.46 40.29 3hsr s ILE 96 CO 0.50 0.44 0.61 -0.94 0.00 0.00 0.00 174.94 175.55 3hsr s SER 97 N -1.11 -0.08 0.11 3.58 1.04 -0.10 -1.60 113.70 115.53 3hsr s SER 97 Ca 0.13 -0.86 -0.21 0.00 0.48 0.00 0.00 55.95 55.48 3hsr s SER 97 Cb -0.10 0.68 -0.07 0.00 0.10 0.00 0.00 66.02 66.62 3hsr s SER 97 CO 0.03 -1.30 0.65 -0.76 0.98 0.00 0.00 173.24 172.84 3hsr s LEU 98 N -3.00 4.54 0.90 2.42 1.43 -1.26 -0.92 118.68 122.80 3hsr s LEU 98 Ca 0.18 1.40 -0.12 0.00 -1.03 0.00 0.00 54.13 54.55 3hsr s LEU 98 Cb -0.03 -3.06 0.13 0.00 0.03 0.00 0.00 46.19 43.26 3hsr s LEU 98 CO 0.09 0.24 1.13 0.42 0.23 0.00 0.00 176.35 178.47 3hsr s THR 99 N -1.14 2.12 0.40 5.49 -4.23 -0.95 -4.81 115.64 112.51 3hsr s THR 99 Ca 0.32 0.04 0.08 0.00 -1.18 0.00 0.00 61.69 60.94 3hsr s THR 99 Cb -0.21 -2.77 0.28 0.00 1.34 0.00 0.00 72.50 71.14 3hsr s THR 99 CO 0.22 -0.05 2.02 -0.33 -0.54 0.00 0.00 174.62 175.94 3hsr h GLU 100 N -1.47 0.58 -0.23 3.99 4.39 -1.90 -0.55 114.58 119.39 3hsr h GLU 100 Ca -0.50 -0.04 -0.14 0.00 0.34 0.00 0.00 59.36 59.02 3hsr h GLU 100 Cb 1.33 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 29.84 3hsr h GLU 100 CO 0.61 0.39 -0.45 0.37 -1.16 0.00 0.00 179.01 178.77 3hsr h GLN 101 N 0.60 0.58 -0.44 2.33 4.15 -1.91 -0.37 115.11 120.04 3hsr h GLN 101 Ca 0.21 -0.32 -0.06 0.00 0.77 0.00 0.00 58.65 59.26 3hsr h GLN 101 Cb 0.10 0.02 -0.02 0.00 0.21 0.00 0.00 27.48 27.79 3hsr h GLN 101 CO -0.06 0.91 0.05 0.78 -1.93 0.00 0.00 178.83 178.59 3hsr h GLY 102 N 1.04 0.81 1.01 2.39 0.00 -1.38 -2.89 103.07 104.06 3hsr h GLY 102 Ca 0.03 -0.56 -0.02 0.00 0.00 0.00 0.00 47.33 46.78 3hsr h GLY 102 CO 0.09 0.52 0.36 0.50 0.00 0.00 0.00 176.54 178.00 3hsr h LYS 103 N 0.61 1.03 -0.51 4.80 1.57 -1.03 -3.09 116.57 119.95 3hsr h LYS 103 Ca 0.13 -0.14 0.09 0.00 -1.87 0.00 0.00 60.65 58.86 3hsr h LYS 103 Cb 0.42 -0.19 -0.08 0.00 0.08 0.00 0.00 32.23 32.46 3hsr h LYS 103 CO 0.01 0.80 0.07 0.00 -0.57 0.00 0.00 179.45 179.76 3hsr h ALA 104 N 1.18 0.55 0.00 3.86 0.00 -0.86 -1.93 119.26 122.05 3hsr h ALA 104 Ca 0.25 0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.28 3hsr h ALA 104 Cb 0.10 0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.07 3hsr h ALA 104 CO -0.03 -0.34 0.00 0.44 0.00 0.00 0.00 179.25 179.32 3hsr n ILE 105 N -5.16 0.00 -0.32 0.00 -5.35 -1.12 -3.57 119.36 103.85 3hsr n ILE 105 Ca 0.06 0.00 -0.04 0.00 -0.27 0.00 0.00 62.75 62.50 3hsr n ILE 105 Cb 0.26 -0.52 0.08 0.00 -1.74 0.00 0.00 39.64 37.73 3hsr n ILE 105 CO 0.00 0.00 0.00 0.50 -1.76 0.00 0.00 176.55 175.29 3hsr h LYS 106 N 0.00 1.15 0.46 6.28 1.63 -1.30 -0.05 116.57 124.74 3hsr h LYS 106 Ca 0.00 -0.10 -0.02 0.00 -0.85 0.00 0.00 60.65 59.68 3hsr h LYS 106 Cb 0.00 -0.25 0.00 0.00 -0.60 0.00 0.00 32.23 31.39 3hsr h LYS 106 CO 0.00 0.80 -0.22 0.66 -3.45 0.00 0.00 179.45 177.24 3hsr h SER 107 N 1.17 -0.52 -0.83 4.20 4.64 -1.73 -1.26 113.55 119.22 3hsr h SER 107 Ca 0.31 -0.09 0.00 0.00 -0.47 0.00 0.00 61.79 61.54 3hsr h SER 107 Cb -0.06 0.13 -0.04 0.00 -0.31 0.00 0.00 62.40 62.12 3hsr h SER 107 CO -0.06 -0.17 0.53 1.55 -0.87 0.00 0.00 176.83 177.81 3hsr h PRO 108 N -0.91 1.12 -0.95 4.77 0.13 -1.77 -2.75 132.00 131.64 3hsr h PRO 108 Ca -0.06 -0.08 0.01 0.00 -0.87 0.00 0.00 66.00 64.99 3hsr h PRO 108 Cb 0.58 -0.24 -0.05 0.00 0.13 0.00 0.00 31.00 31.42 3hsr h PRO 108 CO 0.10 0.76 0.62 -0.07 -0.23 0.00 0.00 178.00 179.19 3hsr h LEU 109 N 1.14 1.09 -2.03 1.56 3.38 -0.90 -2.31 115.31 117.24 3hsr h LEU 109 Ca 0.30 -0.03 -0.02 0.00 0.09 0.00 0.00 57.88 58.22 3hsr h LEU 109 Cb -0.09 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.38 3hsr h LEU 109 CO -0.06 0.79 -0.09 0.00 0.09 0.00 0.00 178.44 179.17 3hsr h ALA 110 N 1.40 1.47 0.00 1.53 0.00 -0.92 -1.67 119.26 121.08 3hsr h ALA 110 Ca 0.35 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.17 3hsr h ALA 110 Cb -0.14 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.63 3hsr h ALA 110 CO -0.07 0.11 0.00 0.39 0.00 0.00 0.00 179.25 179.68 3hsr n GLU 111 N -3.88 0.22 -0.11 0.00 1.02 -0.87 -3.76 120.64 113.26 3hsr n GLU 111 Ca -0.02 0.33 -0.12 0.00 -0.02 0.00 0.00 57.16 57.33 3hsr n GLU 111 Cb 0.19 -1.84 -0.03 0.00 -0.02 0.00 0.00 31.44 29.74 3hsr n GLU 111 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 3hsr h ILE 112 N 0.00 1.29 -0.60 -3.67 2.04 -1.38 -1.81 117.51 113.37 3hsr h ILE 112 Ca 0.00 -1.26 0.00 0.00 1.00 0.00 0.00 64.86 64.61 3hsr h ILE 112 Cb 0.53 1.40 -0.03 0.00 -0.74 0.00 0.00 36.82 37.97 3hsr h ILE 112 CO 0.00 0.41 0.39 0.28 0.00 0.00 0.00 178.15 179.22 3hsr h SER 113 N 0.46 0.70 -0.16 1.72 0.02 -1.75 -0.12 113.55 114.42 3hsr h SER 113 Ca 0.08 -0.02 -0.02 0.00 -0.84 0.00 0.00 61.79 60.98 3hsr h SER 113 Cb 0.68 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 63.04 3hsr h SER 113 CO 0.05 0.52 0.03 0.58 -1.14 0.00 0.00 176.83 176.87 3hsr h VAL 114 N 0.82 1.21 -0.68 2.27 2.07 -1.69 -1.12 116.25 119.13 3hsr h VAL 114 Ca 0.22 -0.67 0.08 0.00 0.82 0.00 0.00 66.70 67.14 3hsr h VAL 114 Cb -0.07 1.35 -0.06 0.00 -1.52 0.00 0.00 31.29 30.98 3hsr h VAL 114 CO -0.05 0.20 0.35 0.11 0.02 0.00 0.00 177.57 178.21 3hsr h LYS 115 N 0.06 0.60 -0.28 1.57 1.57 -0.61 0.20 116.57 119.68 3hsr h LYS 115 Ca 0.05 -0.04 -0.06 0.00 -1.87 0.00 0.00 60.65 58.73 3hsr h LYS 115 Cb 0.28 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.45 3hsr h LYS 115 CO 0.00 0.40 -0.07 0.28 -0.57 0.00 0.00 179.45 179.49 3hsr h VAL 116 N 0.62 1.28 -0.45 0.50 2.07 -0.95 -1.86 116.25 117.46 3hsr h VAL 116 Ca 0.32 -1.10 0.06 0.00 0.82 0.00 0.00 66.70 66.79 3hsr h VAL 116 Cb 0.29 1.43 -0.05 0.00 -1.52 0.00 0.00 31.29 31.44 3hsr h VAL 116 CO -0.23 0.35 0.17 0.15 0.02 0.00 0.00 177.57 178.03 3hsr h PHE 117 N 0.30 0.30 0.00 1.57 3.57 -0.88 -2.06 116.94 119.74 3hsr h PHE 117 Ca 0.07 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.59 3hsr h PHE 117 Cb 0.55 -0.07 0.00 0.00 2.79 0.00 0.00 35.95 39.22 3hsr h PHE 117 CO 0.05 0.12 0.00 -0.91 -2.23 0.00 0.00 178.31 175.34 3hsr h ASN 118 N 0.35 0.00 0.92 0.41 2.35 -0.29 -2.23 115.58 117.08 3hsr h ASN 118 Ca 0.21 0.00 -0.21 0.00 -0.55 0.00 0.00 56.30 55.75 3hsr h ASN 118 Cb 0.20 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.53 3hsr h ASN 118 CO -0.21 0.00 -1.14 -0.33 -1.65 0.00 0.00 177.43 174.10 3hsr h GLU 119 N 0.00 0.00 -6.71 0.81 5.08 -0.61 -3.47 114.58 109.68 3hsr h GLU 119 Ca 0.00 0.00 -0.50 0.00 -1.00 0.00 0.00 59.36 57.86 3hsr h GLU 119 Cb 0.31 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.54 3hsr h GLU 119 CO 0.00 0.69 0.07 -0.06 -1.00 0.00 0.00 179.01 178.71 3hsr s PHE 120 N -2.75 3.39 -0.98 4.33 2.99 -0.84 -5.00 117.98 119.11 3hsr s PHE 120 Ca -0.00 1.16 -0.23 0.00 0.00 0.00 0.00 56.93 57.85 3hsr s PHE 120 Cb 0.09 -2.49 0.03 0.00 0.00 0.00 0.00 43.02 40.64 3hsr s PHE 120 CO 0.81 0.09 1.55 -0.80 -0.00 0.00 0.00 175.22 176.87 3hsr s ASN 121 N -2.38 6.19 -0.28 1.36 0.02 -1.26 -4.89 114.94 113.70 3hsr s ASN 121 Ca 0.53 -1.23 -0.19 0.00 -1.02 0.00 0.00 52.86 50.95 3hsr s ASN 121 Cb -0.10 -2.57 0.08 0.00 0.02 0.00 0.00 41.25 38.68 3hsr s ASN 121 CO 0.19 -1.79 0.72 -0.51 0.02 0.00 0.00 177.10 175.73 3hsr s ILE 122 N 6.12 0.00 0.51 0.60 2.07 -1.26 -5.17 121.20 124.07 3hsr s ILE 122 Ca 0.51 0.00 -0.01 0.00 -1.41 0.00 0.00 60.65 59.74 3hsr s ILE 122 Cb -0.02 -1.00 0.01 0.00 0.13 0.00 0.00 42.46 41.58 3hsr s ILE 122 CO -0.07 0.00 0.75 -0.94 -1.91 0.00 0.00 174.94 172.77 3hsr s SER 123 N 1.26 5.61 0.21 4.50 1.04 -1.26 -4.95 113.70 120.11 3hsr s SER 123 Ca -0.07 0.30 -0.09 0.00 0.48 0.00 0.00 55.95 56.57 3hsr s SER 123 Cb -0.05 -1.38 0.26 0.00 0.10 0.00 0.00 66.02 64.94 3hsr s SER 123 CO -0.14 -0.91 1.80 -0.08 0.98 0.00 0.00 173.24 174.89 3hsr h GLU 124 N 0.17 0.65 -0.27 4.02 4.81 -2.02 -1.67 114.58 120.27 3hsr h GLU 124 Ca -0.45 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 58.74 3hsr h GLU 124 Cb 1.27 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 30.49 3hsr h GLU 124 CO 0.57 0.43 0.17 -0.09 -0.73 0.00 0.00 179.01 179.36 3hsr h ARG 125 N 0.67 0.35 -0.70 1.92 2.43 -1.99 -0.08 114.38 116.98 3hsr h ARG 125 Ca 0.31 -0.02 0.05 0.00 -0.81 0.00 0.00 59.98 59.51 3hsr h ARG 125 Cb 0.22 -0.08 -0.04 0.00 -0.42 0.00 0.00 29.97 29.65 3hsr h ARG 125 CO -0.20 0.24 0.46 0.93 -1.51 0.00 0.00 179.97 179.89 3hsr h GLU 126 N 0.36 0.74 -0.13 0.20 5.08 -1.87 -0.60 114.58 118.35 3hsr h GLU 126 Ca 0.10 -0.04 -0.12 0.00 -1.00 0.00 0.00 59.36 58.30 3hsr h GLU 126 Cb -0.03 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.05 3hsr h GLU 126 CO -0.02 0.49 -0.37 0.00 -1.00 0.00 0.00 179.01 178.11 3hsr h ALA 127 N 1.61 0.22 -0.55 3.43 0.00 -0.99 -2.12 119.26 120.86 3hsr h ALA 127 Ca 0.29 -0.45 0.10 0.00 0.00 0.00 0.00 54.91 54.86 3hsr h ALA 127 Cb 0.20 -0.03 -0.08 0.00 0.00 0.00 0.00 17.79 17.88 3hsr h ALA 127 CO -0.09 0.30 0.10 1.03 0.00 0.00 0.00 179.25 180.59 3hsr h SER 128 N 0.09 -0.02 -0.22 0.00 0.87 -0.56 0.93 113.55 114.64 3hsr h SER 128 Ca -0.01 0.10 -0.01 0.00 -1.23 0.00 0.00 61.79 60.64 3hsr h SER 128 Cb 0.99 0.15 -0.01 0.00 -0.44 0.00 0.00 62.40 63.09 3hsr h SER 128 CO 0.08 0.01 0.08 0.44 -0.53 0.00 0.00 176.83 176.91 3hsr h ASP 129 N 0.24 0.31 -0.75 6.23 3.32 -0.99 -0.34 116.42 124.44 3hsr h ASP 129 Ca 0.29 -0.18 -0.03 0.00 0.02 0.00 0.00 57.03 57.12 3hsr h ASP 129 Cb 0.41 -0.08 -0.03 0.00 0.22 0.00 0.00 39.33 39.85 3hsr h ASP 129 CO -0.38 0.41 0.34 0.40 -1.72 0.00 0.00 179.24 178.29 3hsr h ILE 130 N 0.19 1.25 -0.16 0.35 2.04 -1.11 -0.36 117.51 119.71 3hsr h ILE 130 Ca 0.07 -0.73 0.01 0.00 1.00 0.00 0.00 64.86 65.22 3hsr h ILE 130 Cb 0.20 0.34 -0.01 0.00 -0.74 0.00 0.00 36.82 36.61 3hsr h ILE 130 CO -0.00 0.30 0.07 0.40 0.00 0.00 0.00 178.15 178.92 3hsr h ILE 131 N 1.06 0.98 -0.67 -0.67 2.04 -0.58 0.20 117.51 119.89 3hsr h ILE 131 Ca 0.25 -0.06 -0.03 0.00 1.00 0.00 0.00 64.86 66.03 3hsr h ILE 131 Cb 0.16 0.81 -0.03 0.00 -0.74 0.00 0.00 36.82 37.02 3hsr h ILE 131 CO -0.03 0.03 0.31 0.78 0.00 0.00 0.00 178.15 179.24 3hsr h ASN 132 N 0.16 0.89 -0.23 1.72 2.35 -0.77 0.14 115.58 119.84 3hsr h ASN 132 Ca 0.07 -0.14 -0.16 0.00 -0.55 0.00 0.00 56.30 55.51 3hsr h ASN 132 Cb 0.02 -0.23 0.00 0.00 0.05 0.00 0.00 38.32 38.17 3hsr h ASN 132 CO -0.06 0.78 -0.50 0.78 -1.65 0.00 0.00 177.43 176.79 3hsr h ASN 133 N 0.93 0.84 0.44 5.81 -0.26 -0.54 -2.68 115.58 120.12 3hsr h ASN 133 Ca 0.23 -0.55 -0.16 0.00 -0.56 0.00 0.00 56.30 55.26 3hsr h ASN 133 Cb 0.14 -0.24 -0.01 0.00 -1.06 0.00 0.00 38.32 37.15 3hsr h ASN 133 CO -0.03 1.24 -0.68 -0.07 -1.06 0.00 0.00 177.43 176.83 3hsr h LEU 134 N 0.48 0.25 -0.85 1.61 3.38 -0.54 -2.37 115.31 117.27 3hsr h LEU 134 Ca 0.00 -0.16 -0.02 0.00 0.09 0.00 0.00 57.88 57.79 3hsr h LEU 134 Cb 1.10 -0.07 -0.04 0.00 0.09 0.00 0.00 40.66 41.74 3hsr h LEU 134 CO 0.11 0.86 0.45 -0.09 0.09 0.00 0.00 178.44 179.85 3hsr h ARG 135 N 0.15 1.20 -0.23 1.13 2.43 -0.66 0.70 114.38 119.10 3hsr h ARG 135 Ca -0.02 -0.15 -0.03 0.00 -0.81 0.00 0.00 59.98 58.97 3hsr h ARG 135 Cb 1.22 -0.23 -0.01 0.00 -0.42 0.00 0.00 29.97 30.53 3hsr h ARG 135 CO 0.10 0.90 0.03 -0.97 -1.51 0.00 0.00 179.97 178.51 3hsr h ASN 136 N 1.20 0.37 -0.36 -3.80 -0.00 -1.40 0.13 115.58 111.71 3hsr h ASN 136 Ca 0.30 -0.28 0.01 0.00 -0.00 0.00 0.00 56.30 56.33 3hsr h ASN 136 Cb 0.06 -0.10 -0.02 0.00 -0.00 0.00 0.00 38.32 38.26 3hsr h ASN 136 CO -0.04 0.55 0.22 0.15 -0.00 0.00 0.00 177.43 178.31 3hsr h PHE 137 N 0.17 0.42 -0.66 0.67 3.04 -1.07 -0.56 116.94 118.94 3hsr h PHE 137 Ca 0.07 0.01 -0.07 0.00 3.98 0.00 0.00 57.97 61.96 3hsr h PHE 137 Cb 0.35 -0.14 -0.03 0.00 2.56 0.00 0.00 35.95 38.70 3hsr h PHE 137 CO 0.03 0.25 0.14 0.28 -2.02 0.00 0.00 178.31 176.99 3hsr h VAL 138 N 0.45 1.26 0.00 1.41 2.07 -0.81 -2.10 116.25 118.53 3hsr h VAL 138 Ca 0.14 -0.98 -0.06 0.00 0.82 0.00 0.00 66.70 66.63 3hsr h VAL 138 Cb -0.02 0.62 -0.01 0.00 -1.52 0.00 0.00 31.29 30.36 3hsr h VAL 138 CO -0.05 0.37 -0.28 -1.28 0.02 0.00 0.00 177.57 176.35 3hsr h SER 139 N 1.00 0.00 0.79 0.57 0.87 -0.26 -0.56 113.55 115.95 3hsr h SER 139 Ca 0.21 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.77 3hsr h SER 139 Cb 0.39 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.35 3hsr h SER 139 CO 0.01 0.28 -0.63 0.29 -0.53 0.00 0.00 176.83 176.25 3hsr n LYS 140 N -4.20 0.25 0.00 2.24 5.02 -0.26 -4.34 118.16 116.86 3hsr n LYS 140 Ca -0.02 0.07 0.00 0.00 -2.02 0.00 0.00 58.31 56.34 3hsr n LYS 140 Cb 0.32 -1.65 0.00 0.00 -0.02 0.00 0.00 35.03 33.68 3hsr n LYS 140 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3hsr n ASN 141 N -2.01 1.89 0.00 4.39 4.13 -0.82 -5.09 115.26 117.76 3hsr n ASN 141 Ca 0.04 -0.31 0.00 0.00 1.68 0.00 0.00 54.58 55.99 3hsr n ASN 141 Cb 0.42 0.99 0.00 0.00 -1.54 0.00 0.00 39.78 39.66 3hsr n ASN 141 CO 0.00 0.00 0.00 0.49 0.28 0.00 0.00 177.26 178.03