#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2lig n GLY 26 N 0.00 -0.28 3.18 -5.12 0.00 -1.26 -5.15 105.19 96.56 2lig n GLY 26 Ca 0.00 -0.04 -0.15 0.00 0.00 0.00 0.00 46.02 45.83 2lig n GLY 26 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2lig s GLY 27 N -0.30 0.85 0.00 -0.02 0.00 -1.26 -5.11 107.32 101.49 2lig s GLY 27 Ca 0.03 -1.17 0.00 0.00 0.00 0.00 0.00 44.72 43.58 2lig s GLY 27 CO -0.03 -1.24 0.00 -0.10 0.00 0.00 0.00 173.10 171.73 2lig n LEU 28 N 0.62 0.32 -0.52 0.66 -0.00 -1.26 -4.84 117.00 111.98 2lig n LEU 28 Ca -0.16 0.00 0.10 0.00 -0.00 0.00 0.00 56.01 55.95 2lig n LEU 28 Cb 0.57 0.00 0.01 0.00 -0.00 0.00 0.00 43.42 44.00 2lig n LEU 28 CO 0.26 0.05 0.33 0.18 -0.00 0.00 0.00 177.39 178.22 2lig n LEU 29 N -1.51 2.04 -4.00 -1.96 7.99 -1.26 -4.96 117.00 113.35 2lig n LEU 29 Ca 0.00 -0.79 -0.19 0.00 -0.01 0.00 0.00 56.01 55.02 2lig n LEU 29 Cb 0.06 0.00 -0.15 0.00 -0.11 0.00 0.00 43.42 43.22 2lig n LEU 29 CO 0.00 0.38 -0.43 -0.36 -1.51 0.00 0.00 177.39 175.47 2lig s PHE 30 N -2.26 0.79 -0.90 -1.77 0.08 -1.26 -3.27 117.98 109.38 2lig s PHE 30 Ca 0.18 -0.17 0.16 0.00 0.12 0.00 0.00 56.93 57.23 2lig s PHE 30 Cb 0.17 -0.54 0.70 0.00 -0.57 0.00 0.00 43.02 42.78 2lig s PHE 30 CO 0.50 -0.05 1.52 -1.13 -0.10 0.00 0.00 175.22 175.96 2lig n SER 31 N 3.07 0.12 -3.70 1.36 3.41 -1.26 -4.87 113.62 111.75 2lig n SER 31 Ca -0.15 0.53 -0.04 0.00 -0.26 0.00 0.00 58.87 58.95 2lig n SER 31 Cb 0.56 -0.56 -0.01 0.00 -0.26 0.00 0.00 64.21 63.94 2lig n SER 31 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2lig s SER 32 N -3.23 -0.19 0.25 4.04 1.04 -1.26 -4.99 113.70 109.36 2lig s SER 32 Ca 0.07 -0.32 -0.05 0.00 0.48 0.00 0.00 55.95 56.13 2lig s SER 32 Cb 0.10 0.43 0.31 0.00 0.10 0.00 0.00 66.02 66.96 2lig s SER 32 CO 0.29 -0.79 1.91 0.25 0.98 0.00 0.00 173.24 175.88 2lig h LEU 33 N 2.00 1.08 -0.11 2.42 5.85 -1.99 -2.43 115.31 122.12 2lig h LEU 33 Ca -0.24 -0.01 0.04 0.00 0.84 0.00 0.00 57.88 58.51 2lig h LEU 33 Cb 1.23 -0.25 -0.06 0.00 0.37 0.00 0.00 40.66 41.95 2lig h LEU 33 CO 0.26 0.75 -0.25 1.56 -0.34 0.00 0.00 178.44 180.42 2lig h GLN 34 N 1.26 -0.32 -0.89 1.25 4.20 -1.99 -0.79 115.11 117.84 2lig h GLN 34 Ca 0.39 0.02 0.09 0.00 0.06 0.00 0.00 58.65 59.21 2lig h GLN 34 Cb -0.02 0.07 -0.06 0.00 0.30 0.00 0.00 27.48 27.77 2lig h GLN 34 CO -0.12 -0.21 0.57 1.25 -0.67 0.00 0.00 178.83 179.66 2lig h HIS 35 N -0.33 0.97 0.04 2.96 2.76 -1.92 -0.37 115.15 119.26 2lig h HIS 35 Ca 0.10 0.03 -0.00 0.00 -2.20 0.00 0.00 60.37 58.29 2lig h HIS 35 Cb 0.47 -0.31 0.00 0.00 1.55 0.00 0.00 27.41 29.12 2lig h HIS 35 CO -0.34 0.46 -0.02 0.00 -1.30 0.00 0.00 177.93 176.73 2lig h GLN 37 N -0.64 0.69 -0.29 0.00 4.15 -1.01 -1.58 115.11 116.42 2lig h GLN 37 Ca -0.00 -0.18 0.07 0.00 0.77 0.00 0.00 58.65 59.30 2lig h GLN 37 Cb 0.58 -0.08 -0.08 0.00 0.21 0.00 0.00 27.48 28.11 2lig h GLN 37 CO 0.01 0.72 -0.27 0.37 -1.93 0.00 0.00 178.83 177.73 2lig h GLN 38 N 0.65 -0.25 -0.70 1.69 4.15 -1.00 -0.38 115.11 119.28 2lig h GLN 38 Ca 0.13 0.02 -0.02 0.00 0.77 0.00 0.00 58.65 59.54 2lig h GLN 38 Cb 0.43 0.06 -0.03 0.00 0.21 0.00 0.00 27.48 28.14 2lig h GLN 38 CO 0.02 -0.16 0.35 0.78 -1.93 0.00 0.00 178.83 177.88 2lig h GLY 39 N -0.26 1.07 0.34 2.39 0.00 -0.65 -2.25 103.07 103.71 2lig h GLY 39 Ca 0.15 -0.52 0.02 0.00 0.00 0.00 0.00 47.33 46.99 2lig h GLY 39 CO -0.44 0.49 -0.35 -2.75 0.00 0.00 0.00 176.54 173.50 2lig h PHE 40 N 0.97 -0.96 -0.75 5.60 3.57 -0.47 -0.23 116.94 124.67 2lig h PHE 40 Ca 0.24 0.03 0.10 0.00 3.53 0.00 0.00 57.97 61.87 2lig h PHE 40 Cb 0.10 0.41 -0.07 0.00 2.79 0.00 0.00 35.95 39.17 2lig h PHE 40 CO 0.00 -0.45 0.40 0.28 -2.23 0.00 0.00 178.31 176.31 2lig h VAL 41 N -0.55 0.86 -0.25 1.41 2.07 -0.87 0.29 116.25 119.22 2lig h VAL 41 Ca 0.04 -0.23 -0.05 0.00 0.82 0.00 0.00 66.70 67.28 2lig h VAL 41 Cb 0.60 0.14 -0.01 0.00 -1.52 0.00 0.00 31.29 30.50 2lig h VAL 41 CO -0.23 0.12 -0.05 0.40 0.02 0.00 0.00 177.57 177.82 2lig h ILE 42 N 0.66 1.28 -0.09 4.57 2.04 -0.99 -3.13 117.51 121.85 2lig h ILE 42 Ca 0.37 -1.05 -0.18 0.00 1.00 0.00 0.00 64.86 65.01 2lig h ILE 42 Cb 0.39 1.46 -0.01 0.00 -0.74 0.00 0.00 36.82 37.92 2lig h ILE 42 CO -0.27 0.33 -0.69 0.28 0.00 0.00 0.00 178.15 177.80 2lig h SER 43 N 0.22 0.46 0.08 1.72 0.02 -0.32 -2.32 113.55 113.39 2lig h SER 43 Ca 0.06 -0.29 -0.09 0.00 -0.84 0.00 0.00 61.79 60.63 2lig h SER 43 Cb 0.51 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 62.90 2lig h SER 43 CO 0.02 1.01 -0.30 -1.13 -1.14 0.00 0.00 176.83 175.29 2lig h ASN 44 N 0.27 0.35 -0.25 3.07 -1.24 -0.48 0.14 115.58 117.44 2lig h ASN 44 Ca -0.02 -0.12 -0.14 0.00 0.71 0.00 0.00 56.30 56.73 2lig h ASN 44 Cb 1.25 -0.10 -0.00 0.00 0.73 0.00 0.00 38.32 40.21 2lig h ASN 44 CO 0.12 0.65 -0.37 -0.08 -1.29 0.00 0.00 177.43 176.45 2lig h GLU 45 N 0.30 0.69 -0.82 6.67 4.57 -1.43 -2.04 114.58 122.53 2lig h GLU 45 Ca 0.04 -0.41 0.02 0.00 -1.18 0.00 0.00 59.36 57.82 2lig h GLU 45 Cb 0.69 0.04 -0.04 0.00 -0.16 0.00 0.00 28.75 29.28 2lig h GLU 45 CO 0.05 1.03 0.54 -0.07 -1.18 0.00 0.00 179.01 179.38 2lig h LEU 46 N 0.41 0.91 -0.90 1.64 3.38 -1.03 -1.70 115.31 118.03 2lig h LEU 46 Ca 0.02 -0.02 0.02 0.00 0.09 0.00 0.00 57.88 58.00 2lig h LEU 46 Cb 0.96 -0.22 -0.05 0.00 0.09 0.00 0.00 40.66 41.44 2lig h LEU 46 CO 0.09 0.65 0.59 -0.09 0.09 0.00 0.00 178.44 179.76 2lig h ARG 47 N 1.08 1.13 -0.15 1.13 2.43 -0.66 -0.48 114.38 118.85 2lig h ARG 47 Ca 0.31 -0.07 -0.02 0.00 -0.81 0.00 0.00 59.98 59.39 2lig h ARG 47 Cb -0.08 -0.26 -0.01 0.00 -0.42 0.00 0.00 29.97 29.21 2lig h ARG 47 CO -0.08 0.75 0.01 1.96 -1.51 0.00 0.00 179.97 181.10 2lig h GLN 48 N 1.17 0.26 -0.23 0.20 1.08 -0.57 -2.52 115.11 114.50 2lig h GLN 48 Ca 0.35 -0.08 -0.15 0.00 -1.45 0.00 0.00 58.65 57.32 2lig h GLN 48 Cb -0.06 -0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 27.34 2lig h GLN 48 CO -0.10 0.47 -0.46 1.96 -0.95 0.00 0.00 178.83 179.75 2lig h GLN 49 N 0.03 0.59 -0.42 1.46 4.20 -1.22 -2.58 115.11 117.16 2lig h GLN 49 Ca 0.05 -0.33 -0.06 0.00 0.06 0.00 0.00 58.65 58.37 2lig h GLN 49 Cb 0.34 0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.12 2lig h GLN 49 CO 0.01 0.93 0.00 0.37 -0.67 0.00 0.00 178.83 179.46 2lig h GLN 50 N 0.47 0.68 -0.40 1.46 5.75 -1.15 -2.44 115.11 119.49 2lig h GLN 50 Ca 0.03 -0.17 0.04 0.00 -0.15 0.00 0.00 58.65 58.40 2lig h GLN 50 Cb 0.98 -0.09 -0.04 0.00 1.07 0.00 0.00 27.48 29.41 2lig h GLN 50 CO 0.09 0.70 0.19 1.03 -2.65 0.00 0.00 178.83 178.19 2lig h SER 51 N 0.65 0.26 -0.43 -0.69 0.87 -1.07 -1.30 113.55 111.83 2lig h SER 51 Ca 0.13 0.03 -0.04 0.00 -1.23 0.00 0.00 61.79 60.68 2lig h SER 51 Cb 0.40 -0.02 -0.02 0.00 -0.44 0.00 0.00 62.40 62.32 2lig h SER 51 CO 0.01 0.19 0.13 -0.33 -0.53 0.00 0.00 176.83 176.31 2lig h GLU 52 N 0.38 0.74 -0.02 2.24 4.39 -1.08 -2.38 114.58 118.85 2lig h GLU 52 Ca 0.18 -0.14 -0.12 0.00 0.34 0.00 0.00 59.36 59.62 2lig h GLU 52 Cb 0.10 -0.12 -0.02 0.00 -0.10 0.00 0.00 28.75 28.62 2lig h GLU 52 CO -0.14 0.66 -0.53 -0.07 -1.16 0.00 0.00 179.01 177.78 2lig h LEU 53 N 0.72 0.06 -0.50 1.33 3.38 -1.05 -1.15 115.31 118.11 2lig h LEU 53 Ca 0.16 -0.03 -0.04 0.00 0.09 0.00 0.00 57.88 58.06 2lig h LEU 53 Cb 0.25 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 40.96 2lig h LEU 53 CO -0.01 0.58 0.14 0.74 0.09 0.00 0.00 178.44 179.99 2lig h THR 54 N 0.04 1.23 -0.73 0.22 2.02 -0.96 -2.12 112.91 112.61 2lig h THR 54 Ca -0.00 -0.79 -0.06 0.00 0.77 0.00 0.00 66.41 66.33 2lig h THR 54 Cb 0.95 0.80 -0.03 0.00 -1.74 0.00 0.00 68.15 68.13 2lig h THR 54 CO 0.07 0.29 0.24 0.28 0.37 0.00 0.00 175.52 176.76 2lig h SER 55 N 0.68 1.05 -0.05 4.18 0.02 -1.43 -2.12 113.55 115.87 2lig h SER 55 Ca 0.16 -0.20 0.04 0.00 -0.84 0.00 0.00 61.79 60.94 2lig h SER 55 Cb 0.29 -0.27 -0.05 0.00 0.14 0.00 0.00 62.40 62.51 2lig h SER 55 CO -0.00 0.97 -0.24 0.74 -1.14 0.00 0.00 176.83 177.16 2lig h THR 56 N 1.07 0.43 0.05 -2.27 2.02 -1.03 -1.75 112.91 111.44 2lig h THR 56 Ca 0.24 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.41 2lig h THR 56 Cb 0.29 0.43 0.00 0.00 -1.74 0.00 0.00 68.15 67.13 2lig h THR 56 CO -0.01 0.00 -0.03 -0.25 0.37 0.00 0.00 175.52 175.61 2lig h TRP 57 N -0.35 -0.07 0.12 3.16 2.91 -1.33 0.84 115.95 121.23 2lig h TRP 57 Ca 0.08 -0.00 0.02 0.00 1.13 0.00 0.00 58.89 60.11 2lig h TRP 57 Cb 0.46 0.02 -0.05 0.00 -0.51 0.00 0.00 29.16 29.09 2lig h TRP 57 CO -0.31 -0.04 -0.44 0.22 -1.03 0.00 0.00 178.44 176.84 2lig h ASP 58 N -0.07 -1.32 0.67 2.65 3.58 -1.33 0.09 116.42 120.69 2lig h ASP 58 Ca -0.01 0.15 -0.03 0.00 0.42 0.00 0.00 57.03 57.56 2lig h ASP 58 Cb 0.05 0.49 -0.00 0.00 1.72 0.00 0.00 39.33 41.59 2lig h ASP 58 CO 0.01 -0.51 -0.15 -0.07 -2.88 0.00 0.00 179.24 175.64 2lig h LEU 59 N -0.68 0.00 -0.20 2.28 4.07 -1.12 -1.12 115.31 118.55 2lig h LEU 59 Ca 0.02 0.00 -0.22 0.00 0.08 0.00 0.00 57.88 57.76 2lig h LEU 59 Cb 0.70 0.00 0.01 0.00 1.08 0.00 0.00 40.66 42.45 2lig h LEU 59 CO -0.26 0.15 -0.79 0.24 -1.08 0.00 0.00 178.44 176.71 2lig h MET 60 N 0.00 0.71 -0.29 1.13 2.86 -0.17 -1.76 114.93 117.42 2lig h MET 60 Ca -0.00 -0.59 -0.16 0.00 -2.06 0.00 0.00 59.70 56.89 2lig h MET 60 Cb 0.53 0.13 -0.01 0.00 0.06 0.00 0.00 31.60 32.31 2lig h MET 60 CO 0.02 1.20 -0.46 -0.07 1.06 0.00 0.00 176.91 178.67 2lig h LEU 61 N 0.48 0.81 -0.91 1.22 4.07 -0.59 -2.46 115.31 117.93 2lig h LEU 61 Ca -0.05 -0.40 0.10 0.00 0.08 0.00 0.00 57.88 57.61 2lig h LEU 61 Cb 1.41 -0.23 -0.08 0.00 1.08 0.00 0.00 40.66 42.84 2lig h LEU 61 CO 0.16 1.15 0.55 1.56 -1.08 0.00 0.00 178.44 180.77 2lig h GLN 62 N 0.60 0.88 -0.36 1.13 4.20 -1.19 -1.08 115.11 119.29 2lig h GLN 62 Ca 0.04 -0.05 -0.06 0.00 0.06 0.00 0.00 58.65 58.63 2lig h GLN 62 Cb 1.02 -0.20 -0.01 0.00 0.30 0.00 0.00 27.48 28.59 2lig h GLN 62 CO 0.10 0.58 -0.02 1.15 -0.67 0.00 0.00 178.83 179.97 2lig h THR 63 N 0.90 1.26 -0.32 -0.54 2.02 -0.90 -2.19 112.91 113.14 2lig h THR 63 Ca 0.44 -1.03 -0.08 0.00 0.77 0.00 0.00 66.41 66.52 2lig h THR 63 Cb 0.40 1.21 -0.02 0.00 -1.74 0.00 0.00 68.15 68.01 2lig h THR 63 CO -0.25 0.34 -0.13 -0.09 0.37 0.00 0.00 175.52 175.76 2lig h ARG 64 N 0.46 0.55 0.44 6.66 2.43 -0.90 -0.01 114.38 124.02 2lig h ARG 64 Ca 0.10 -0.17 -0.02 0.00 -0.81 0.00 0.00 59.98 59.08 2lig h ARG 64 Cb 0.49 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 29.99 2lig h ARG 64 CO 0.02 0.67 -0.21 0.82 -1.51 0.00 0.00 179.97 179.76 2lig h ILE 65 N 0.50 0.55 -0.56 1.20 2.04 -1.10 -1.11 117.51 119.04 2lig h ILE 65 Ca 0.09 -0.20 0.06 0.00 1.00 0.00 0.00 64.86 65.82 2lig h ILE 65 Cb 0.52 0.65 -0.03 0.00 -0.74 0.00 0.00 36.82 37.22 2lig h ILE 65 CO 0.03 0.04 0.37 0.78 0.00 0.00 0.00 178.15 179.37 2lig h ASN 66 N -0.71 0.46 0.15 1.72 2.35 -1.10 0.19 115.58 118.64 2lig h ASN 66 Ca -0.06 0.00 -0.12 0.00 -0.55 0.00 0.00 56.30 55.57 2lig h ASN 66 Cb 0.52 -0.10 -0.01 0.00 0.05 0.00 0.00 38.32 38.78 2lig h ASN 66 CO 0.10 0.30 -0.44 -0.07 -1.65 0.00 0.00 177.43 175.67 2lig h LEU 67 N 0.52 0.38 -0.16 1.61 3.38 -0.73 -0.95 115.31 119.37 2lig h LEU 67 Ca 0.24 -0.17 -0.18 0.00 0.09 0.00 0.00 57.88 57.86 2lig h LEU 67 Cb 0.29 -0.11 0.01 0.00 0.09 0.00 0.00 40.66 40.95 2lig h LEU 67 CO -0.07 0.77 -0.61 -1.28 0.09 0.00 0.00 178.44 177.34 2lig h SER 68 N 0.29 0.81 -0.86 -0.43 0.87 0.40 -2.18 113.55 112.45 2lig h SER 68 Ca 0.02 -0.61 0.02 0.00 -1.23 0.00 0.00 61.79 59.99 2lig h SER 68 Cb 0.89 -0.24 -0.05 0.00 -0.44 0.00 0.00 62.40 62.57 2lig h SER 68 CO 0.07 1.29 0.56 0.03 -0.53 0.00 0.00 176.83 178.25 2lig h ARG 69 N 0.38 1.09 0.03 2.24 3.08 -0.56 -1.62 114.38 119.02 2lig h ARG 69 Ca -0.03 -0.07 -0.00 0.00 0.07 0.00 0.00 59.98 59.95 2lig h ARG 69 Cb 1.24 -0.25 0.00 0.00 0.08 0.00 0.00 29.97 31.04 2lig h ARG 69 CO 0.13 0.72 -0.01 0.77 -1.07 0.00 0.00 179.97 180.51 2lig h SER 70 N 1.13 -0.03 -0.78 7.04 0.02 -1.03 -3.01 113.55 116.88 2lig h SER 70 Ca 0.32 -0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 61.26 2lig h SER 70 Cb -0.08 0.01 -0.04 0.00 0.14 0.00 0.00 62.40 62.43 2lig h SER 70 CO -0.09 -0.01 0.45 0.00 -1.14 0.00 0.00 176.83 176.05 2lig h ALA 71 N 0.93 0.99 -0.67 3.77 0.00 -1.21 -0.44 119.26 122.62 2lig h ALA 71 Ca -0.00 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.77 2lig h ALA 71 Cb 0.04 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.49 2lig h ALA 71 CO 0.01 0.48 0.28 0.00 0.00 0.00 0.00 179.25 180.01 2lig h ALA 72 N 1.24 0.87 -0.42 0.00 0.00 -1.31 -0.82 119.26 118.82 2lig h ALA 72 Ca 0.28 -0.17 -0.14 0.00 0.00 0.00 0.00 54.91 54.88 2lig h ALA 72 Cb -0.01 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 2lig h ALA 72 CO -0.05 0.47 -0.30 0.00 0.00 0.00 0.00 179.25 179.37 2lig h ARG 73 N 0.94 0.94 -0.73 0.00 3.08 -1.38 -2.88 114.38 114.36 2lig h ARG 73 Ca 0.23 -0.45 0.16 0.00 0.07 0.00 0.00 59.98 59.98 2lig h ARG 73 Cb 0.18 -0.01 -0.11 0.00 0.08 0.00 0.00 29.97 30.12 2lig h ARG 73 CO -0.02 1.12 0.14 0.52 -1.07 0.00 0.00 179.97 180.65 2lig h MET 74 N 0.78 0.22 0.00 0.04 2.86 -0.84 -0.73 114.93 117.25 2lig h MET 74 Ca 0.08 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.71 2lig h MET 74 Cb 0.89 -0.05 0.00 0.00 0.06 0.00 0.00 31.60 32.50 2lig h MET 74 CO 0.08 0.15 0.00 -1.33 1.06 0.00 0.00 176.91 176.87 2lig n MET 75 N -5.19 0.37 -2.85 1.72 2.81 -0.33 -3.40 117.12 110.25 2lig n MET 75 Ca 0.14 0.08 -0.42 0.00 -1.81 0.00 0.00 57.70 55.68 2lig n MET 75 Cb 0.45 -1.50 -0.04 0.00 -0.71 0.00 0.00 33.22 31.43 2lig n MET 75 CO 0.00 0.00 0.00 -1.64 1.51 0.00 0.00 175.97 175.84 2lig s MET 76 N -2.38 4.31 0.00 0.03 1.00 -0.28 -4.92 119.30 117.06 2lig s MET 76 Ca 0.21 1.09 0.00 0.00 0.00 0.00 0.00 55.69 56.99 2lig s MET 76 Cb 0.13 -3.57 0.00 0.00 0.00 0.00 0.00 34.83 31.38 2lig s MET 76 CO 0.26 -0.35 0.17 -0.40 0.00 0.00 0.00 175.02 174.71 2lig n ASP 77 N 5.27 0.00 -0.01 3.03 5.75 -1.26 -4.87 116.55 124.46 2lig n ASP 77 Ca 0.06 -0.77 0.16 0.00 -0.01 0.00 0.00 54.79 54.22 2lig n ASP 77 Cb 0.49 0.00 0.61 0.00 -1.03 0.00 0.00 41.12 41.19 2lig n ASP 77 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2lig h ALA 78 N 4.12 2.26 0.00 2.12 0.00 -1.91 -3.49 119.26 122.37 2lig h ALA 78 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2lig h ALA 78 Cb 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.78 2lig h ALA 78 CO 0.17 -0.40 0.00 0.43 0.00 0.00 0.00 179.25 179.46 2lig n SER 79 N -4.43 0.00 0.00 0.00 7.64 -1.26 -4.83 113.62 110.74 2lig n SER 79 Ca 0.09 0.00 0.02 0.00 1.01 0.00 0.00 58.87 59.98 2lig n SER 79 Cb 0.47 0.00 0.10 0.00 -1.01 0.00 0.00 64.21 63.77 2lig n SER 79 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 2lig n ASN 80 N 0.00 0.00 0.26 6.43 6.94 -1.26 -3.16 115.26 124.47 2lig n ASN 80 Ca 0.00 -1.41 0.13 0.00 -0.02 0.00 0.00 54.58 53.28 2lig n ASN 80 Cb 0.00 0.00 0.68 0.00 -2.36 0.00 0.00 39.78 38.10 2lig n ASN 80 CO 0.00 0.00 0.00 1.56 -1.03 0.00 0.00 177.26 177.79 2lig h GLN 81 N 0.00 0.00 -1.31 -3.83 7.50 -1.98 -3.48 115.11 112.01 2lig h GLN 81 Ca 0.00 0.00 0.15 0.00 0.50 0.00 0.00 58.65 59.30 2lig h GLN 81 Cb 0.00 0.00 -0.05 0.00 0.05 0.00 0.00 27.48 27.48 2lig h GLN 81 CO 0.00 0.12 -0.30 0.94 -1.50 0.00 0.00 178.83 178.10 2lig n GLN 82 N -3.45 -1.21 -2.54 1.46 0.00 -1.19 -4.60 117.38 105.85 2lig n GLN 82 Ca -0.01 0.86 -0.41 0.00 -0.00 0.00 0.00 57.00 57.44 2lig n GLN 82 Cb 0.29 -1.45 -0.02 0.00 0.00 0.00 0.00 30.24 29.06 2lig n GLN 82 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.06 175.94 2lig s SER 83 N -5.14 6.58 -0.33 1.69 0.01 -1.25 -4.38 113.70 110.89 2lig s SER 83 Ca 0.00 -1.90 0.02 0.00 1.31 0.00 0.00 55.95 55.38 2lig s SER 83 Cb 0.00 -2.57 0.31 0.00 0.21 0.00 0.00 66.02 63.96 2lig s SER 83 CO 0.00 -1.43 1.34 -1.20 0.41 0.00 0.00 173.24 172.37 2lig n SER 84 N 8.94 -1.26 -4.80 2.44 7.64 -1.22 -4.80 113.62 120.56 2lig n SER 84 Ca 0.41 -1.85 -0.36 0.00 1.01 0.00 0.00 58.87 58.08 2lig n SER 84 Cb 0.48 1.01 -0.07 0.00 -1.01 0.00 0.00 64.21 64.63 2lig n SER 84 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2lig s ALA 85 N 0.07 3.77 0.00 -0.43 0.00 -1.26 -4.89 121.76 119.02 2lig s ALA 85 Ca 0.22 -0.63 0.00 0.00 0.00 0.00 0.00 51.96 51.56 2lig s ALA 85 Cb 0.27 -2.11 0.00 0.00 0.00 0.00 0.00 23.12 21.28 2lig s ALA 85 CO -0.16 0.37 0.00 1.63 0.00 0.00 0.00 175.76 177.60 2lig n LYS 86 N 2.76 0.00 -3.25 0.00 4.76 -1.26 -4.56 118.16 116.62 2lig n LYS 86 Ca -0.17 0.00 -0.45 0.00 -2.87 0.00 0.00 58.31 54.82 2lig n LYS 86 Cb 0.53 0.00 -0.00 0.00 -1.84 0.00 0.00 35.03 33.72 2lig n LYS 86 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 2lig s THR 87 N 0.00 5.78 -1.88 -0.18 -4.23 -1.26 -4.82 115.64 109.05 2lig s THR 87 Ca 0.00 -3.24 0.20 0.00 -1.18 0.00 0.00 61.69 57.47 2lig s THR 87 Cb 0.00 -4.68 0.53 0.00 1.34 0.00 0.00 72.50 69.69 2lig s THR 87 CO 0.00 -1.29 1.59 -0.90 -0.54 0.00 0.00 174.62 173.48 2lig n ASP 88 N 3.39 0.00 0.26 3.99 5.68 -1.26 -1.88 116.55 126.73 2lig n ASP 88 Ca 0.27 -0.50 0.15 0.00 -0.50 0.00 0.00 54.79 54.21 2lig n ASP 88 Cb 0.40 -0.06 0.64 0.00 -1.14 0.00 0.00 41.12 40.96 2lig n ASP 88 CO 0.00 0.00 0.00 -0.07 -1.33 0.00 0.00 177.20 175.80 2lig h LEU 89 N 0.00 0.00 -0.12 -2.12 -0.00 -1.92 -2.72 115.31 108.43 2lig h LEU 89 Ca 0.00 0.00 -0.23 0.00 -0.00 0.00 0.00 57.88 57.65 2lig h LEU 89 Cb 0.04 0.00 0.01 0.00 -0.00 0.00 0.00 40.66 40.71 2lig h LEU 89 CO 0.00 0.06 -0.82 0.25 -0.00 0.00 0.00 178.44 177.94 2lig h LEU 90 N 0.00 0.93 -1.00 1.67 5.85 -1.66 -1.76 115.31 119.33 2lig h LEU 90 Ca -0.00 -0.65 0.02 0.00 0.84 0.00 0.00 57.88 58.09 2lig h LEU 90 Cb 0.55 -0.28 -0.05 0.00 0.37 0.00 0.00 40.66 41.25 2lig h LEU 90 CO 0.01 1.44 0.66 -0.61 -0.34 0.00 0.00 178.44 179.60 2lig h GLN 91 N 0.49 1.29 -0.76 1.25 5.75 -1.73 0.81 115.11 122.20 2lig h GLN 91 Ca -0.07 -0.08 0.10 0.00 -0.15 0.00 0.00 58.65 58.46 2lig h GLN 91 Cb 1.45 -0.29 -0.07 0.00 1.07 0.00 0.00 27.48 29.64 2lig h GLN 91 CO 0.17 0.85 0.40 -0.91 -2.65 0.00 0.00 178.83 176.69 2lig h ASN 92 N 1.33 0.53 -0.52 -0.69 2.35 -1.26 -0.26 115.58 117.05 2lig h ASN 92 Ca 0.38 0.06 -0.09 0.00 -0.55 0.00 0.00 56.30 56.10 2lig h ASN 92 Cb -0.10 -0.03 -0.02 0.00 0.05 0.00 0.00 38.32 38.22 2lig h ASN 92 CO -0.10 0.29 -0.04 0.00 -1.65 0.00 0.00 177.43 175.94 2lig h ALA 93 N 1.46 0.70 -0.84 -0.83 0.00 -0.10 -2.15 119.26 117.50 2lig h ALA 93 Ca 0.38 -0.31 0.05 0.00 0.00 0.00 0.00 54.91 55.03 2lig h ALA 93 Cb 0.41 -0.19 -0.06 0.00 0.00 0.00 0.00 17.79 17.95 2lig h ALA 93 CO -0.28 0.56 0.52 0.87 0.00 0.00 0.00 179.25 180.92 2lig h LYS 94 N 0.81 0.94 0.20 0.00 1.57 -0.22 -2.11 116.57 117.77 2lig h LYS 94 Ca 0.14 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.86 2lig h LYS 94 Cb 0.58 -0.21 0.00 0.00 0.08 0.00 0.00 32.23 32.68 2lig h LYS 94 CO 0.03 0.62 -0.10 1.15 -0.57 0.00 0.00 179.45 180.59 2lig h THR 95 N 0.97 0.85 -0.07 -0.16 2.02 -0.95 -2.20 112.91 113.36 2lig h THR 95 Ca 0.36 -0.23 -0.04 0.00 0.77 0.00 0.00 66.41 67.27 2lig h THR 95 Cb 0.13 0.98 -0.01 0.00 -1.74 0.00 0.00 68.15 67.52 2lig h THR 95 CO -0.16 0.05 -0.14 0.71 0.37 0.00 0.00 175.52 176.35 2lig h THR 96 N -0.38 1.14 -0.27 3.16 1.35 -1.31 -0.80 112.91 115.79 2lig h THR 96 Ca -0.03 -0.65 -0.06 0.00 -0.55 0.00 0.00 66.41 65.12 2lig h THR 96 Cb 0.30 1.25 -0.01 0.00 -1.73 0.00 0.00 68.15 67.96 2lig h THR 96 CO 0.05 0.19 -0.08 0.25 -0.25 0.00 0.00 175.52 175.68 2lig h LEU 97 N 0.10 0.55 -0.86 3.87 6.46 -1.30 -1.17 115.31 122.96 2lig h LEU 97 Ca 0.02 -0.38 0.00 0.00 -0.12 0.00 0.00 57.88 57.41 2lig h LEU 97 Cb 0.32 -0.15 -0.04 0.00 -0.73 0.00 0.00 40.66 40.06 2lig h LEU 97 CO 0.02 0.80 0.55 0.00 -0.62 0.00 0.00 178.44 179.19 2lig h ALA 98 N 0.77 1.09 -0.34 1.25 0.00 -1.05 0.80 119.26 121.78 2lig h ALA 98 Ca 0.07 -0.07 -0.11 0.00 0.00 0.00 0.00 54.91 54.79 2lig h ALA 98 Cb 0.57 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 2lig h ALA 98 CO 0.03 0.52 -0.25 1.96 0.00 0.00 0.00 179.25 181.51 2lig h GLN 99 N 1.17 0.67 -0.26 0.00 4.20 -1.01 -0.33 115.11 119.55 2lig h GLN 99 Ca 0.31 -0.27 -0.06 0.00 0.06 0.00 0.00 58.65 58.69 2lig h GLN 99 Cb -0.10 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 27.63 2lig h GLN 99 CO -0.06 0.86 -0.08 0.00 -0.67 0.00 0.00 178.83 178.87 2lig h ALA 100 N 1.14 1.38 -0.09 3.87 0.00 -0.63 -1.62 119.26 123.31 2lig h ALA 100 Ca 0.08 -0.22 -0.15 0.00 0.00 0.00 0.00 54.91 54.62 2lig h ALA 100 Cb 0.73 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 2lig h ALA 100 CO 0.06 0.42 -0.60 0.00 0.00 0.00 0.00 179.25 179.13 2lig h ALA 101 N 1.53 0.81 -0.11 0.00 0.00 0.03 0.64 119.26 122.16 2lig h ALA 101 Ca 0.08 -0.54 0.02 0.00 0.00 0.00 0.00 54.91 54.47 2lig h ALA 101 Cb 0.39 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 2lig h ALA 101 CO 0.02 0.72 -0.01 0.00 0.00 0.00 0.00 179.25 179.98 2lig h ALA 102 N 1.13 0.09 -0.50 0.00 0.00 -0.47 0.48 119.26 119.98 2lig h ALA 102 Ca -0.00 0.04 -0.10 0.00 0.00 0.00 0.00 54.91 54.85 2lig h ALA 102 Cb 1.11 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.95 2lig h ALA 102 CO 0.10 -0.47 -0.07 0.45 0.00 0.00 0.00 179.25 179.25 2lig h HIS 103 N 0.02 0.98 -0.60 0.00 3.86 -0.84 -2.57 115.15 116.00 2lig h HIS 103 Ca 0.05 -0.18 0.02 0.00 -1.16 0.00 0.00 60.37 59.11 2lig h HIS 103 Cb 0.07 -0.25 -0.04 0.00 1.06 0.00 0.00 27.41 28.25 2lig h HIS 103 CO -0.14 0.92 0.38 -0.92 0.86 0.00 0.00 177.93 179.02 2lig h TYR 104 N 0.81 0.71 -0.93 2.45 3.20 -0.66 -2.85 116.97 119.70 2lig h TYR 104 Ca 0.14 0.02 0.13 0.00 3.14 0.00 0.00 58.73 62.16 2lig h TYR 104 Cb 0.58 -0.23 -0.08 0.00 1.54 0.00 0.00 36.73 38.54 2lig h TYR 104 CO 0.03 0.42 0.59 0.00 -1.64 0.00 0.00 178.16 177.57 2lig h ALA 105 N 1.25 1.70 -0.29 1.82 0.00 -0.49 0.18 119.26 123.42 2lig h ALA 105 Ca 0.24 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.12 2lig h ALA 105 Cb -0.01 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 2lig h ALA 105 CO -0.09 0.06 0.02 -0.91 0.00 0.00 0.00 179.25 178.34 2lig h ASN 106 N 0.82 0.48 -0.17 0.00 -0.26 -1.32 -1.11 115.58 114.01 2lig h ASN 106 Ca 0.46 -0.29 0.02 0.00 -0.56 0.00 0.00 56.30 55.94 2lig h ASN 106 Cb 0.60 -0.13 -0.02 0.00 -1.06 0.00 0.00 38.32 37.71 2lig h ASN 106 CO -0.22 0.65 0.03 0.15 -1.06 0.00 0.00 177.43 176.97 2lig h PHE 107 N 0.30 0.05 -0.95 1.19 3.57 -1.23 -2.25 116.94 117.63 2lig h PHE 107 Ca 0.09 0.01 0.10 0.00 3.53 0.00 0.00 57.97 61.69 2lig h PHE 107 Cb 0.39 0.00 -0.07 0.00 2.79 0.00 0.00 35.95 39.06 2lig h PHE 107 CO 0.03 0.01 0.61 -0.22 -2.23 0.00 0.00 178.31 176.51 2lig h LYS 108 N 0.10 0.95 0.00 1.11 3.64 -0.88 -1.07 116.57 120.41 2lig h LYS 108 Ca 0.08 -0.06 -0.12 0.00 -1.27 0.00 0.00 60.65 59.28 2lig h LYS 108 Cb 0.07 -0.21 -0.02 0.00 -0.41 0.00 0.00 32.23 31.66 2lig h LYS 108 CO -0.11 0.63 -0.57 -0.91 -2.27 0.00 0.00 179.45 176.23 2lig h ASN 109 N 0.98 0.00 -2.23 4.20 4.21 -0.91 -3.41 115.58 118.42 2lig h ASN 109 Ca 0.44 0.00 -0.52 0.00 1.21 0.00 0.00 56.30 57.43 2lig h ASN 109 Cb 0.38 0.00 -0.05 0.00 -1.12 0.00 0.00 38.32 37.53 2lig h ASN 109 CO -0.20 0.57 1.24 -0.04 -1.29 0.00 0.00 177.43 177.71 2lig s MET 110 N -3.52 2.90 0.15 0.81 -1.94 -0.41 -5.03 119.30 112.27 2lig s MET 110 Ca -0.00 0.42 -0.34 0.00 -1.71 0.00 0.00 55.69 54.05 2lig s MET 110 Cb 0.12 -4.29 -0.15 0.00 2.01 0.00 0.00 34.83 32.52 2lig s MET 110 CO 0.74 -2.43 1.36 2.41 -0.01 0.00 0.00 175.02 177.09 2lig n THR 111 N 6.97 0.41 -1.73 2.05 -1.04 -1.26 -4.93 114.28 114.75 2lig n THR 111 Ca 0.15 -0.10 -0.42 0.00 -2.04 0.00 0.00 64.05 61.64 2lig n THR 111 Cb 0.51 -1.10 -0.01 0.00 -1.82 0.00 0.00 70.33 67.90 2lig n THR 111 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 2lig n PRO 112 N 2.42 2.39 -1.99 -2.82 -0.02 -1.26 -5.00 135.00 128.72 2lig n PRO 112 Ca 0.16 0.84 -0.37 0.00 -2.02 0.00 0.00 63.50 62.12 2lig n PRO 112 Cb 0.25 -2.52 0.03 0.00 -0.02 0.00 0.00 33.50 31.24 2lig n PRO 112 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2lig s LEU 113 N -1.08 3.75 0.27 2.45 1.02 -1.26 -4.75 118.68 119.08 2lig s LEU 113 Ca 0.58 2.47 -0.02 0.00 0.02 0.00 0.00 54.13 57.18 2lig s LEU 113 Cb -0.54 -4.48 0.57 0.00 0.02 0.00 0.00 46.19 41.77 2lig s LEU 113 CO 0.58 -1.51 1.65 -0.65 0.02 0.00 0.00 176.35 176.45 2lig h PRO 114 N 1.17 0.19 -0.01 1.29 0.11 -2.01 0.32 132.00 133.05 2lig h PRO 114 Ca -0.50 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.60 2lig h PRO 114 Cb 1.29 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 32.36 2lig h PRO 114 CO 0.56 0.12 0.01 0.00 -0.21 0.00 0.00 178.00 178.49 2lig h ALA 115 N 1.72 1.83 0.00 -0.75 0.00 -2.02 -2.39 119.26 117.65 2lig h ALA 115 Ca 0.48 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.39 2lig h ALA 115 Cb 0.90 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.69 2lig h ALA 115 CO -0.63 -0.01 -0.40 -1.33 0.00 0.00 0.00 179.25 176.88 2lig n MET 116 N -4.27 0.07 -0.22 0.00 2.81 0.11 -4.59 117.12 111.03 2lig n MET 116 Ca -0.03 0.03 0.02 0.00 -1.81 0.00 0.00 57.70 55.90 2lig n MET 116 Cb 0.10 -1.55 0.13 0.00 -0.71 0.00 0.00 33.22 31.19 2lig n MET 116 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2lig h ALA 117 N 2.88 0.86 0.05 3.04 0.00 -1.04 -1.43 119.26 123.63 2lig h ALA 117 Ca 0.00 0.10 -0.25 0.00 0.00 0.00 0.00 54.91 54.76 2lig h ALA 117 Cb 0.56 0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.44 2lig h ALA 117 CO 0.00 -0.21 -1.06 1.05 0.00 0.00 0.00 179.25 179.03 2lig h GLU 118 N 0.40 0.44 -0.73 0.00 9.09 -1.81 -2.50 114.58 119.46 2lig h GLU 118 Ca 0.34 -0.53 -0.00 0.00 0.05 0.00 0.00 59.36 59.21 2lig h GLU 118 Cb 0.46 0.17 -0.04 0.00 -1.65 0.00 0.00 28.75 27.69 2lig h GLU 118 CO -0.35 1.19 0.44 0.00 0.05 0.00 0.00 179.01 180.34 2lig h ALA 119 N 0.61 1.40 -0.13 1.06 0.00 -1.66 -2.75 119.26 117.79 2lig h ALA 119 Ca -0.11 -0.08 -0.21 0.00 0.00 0.00 0.00 54.91 54.50 2lig h ALA 119 Cb 1.72 -0.30 0.01 0.00 0.00 0.00 0.00 17.79 19.22 2lig h ALA 119 CO 0.19 0.52 -0.77 0.77 0.00 0.00 0.00 179.25 179.96 2lig h SER 120 N 1.01 0.81 -0.19 0.00 0.02 -1.34 -2.56 113.55 111.30 2lig h SER 120 Ca 0.26 -0.53 -0.02 0.00 -0.84 0.00 0.00 61.79 60.66 2lig h SER 120 Cb -0.04 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.25 2lig h SER 120 CO -0.05 1.32 0.08 0.00 -1.14 0.00 0.00 176.83 177.03 2lig h ALA 121 N 0.67 1.67 -0.09 3.77 0.00 -1.30 0.29 119.26 124.27 2lig h ALA 121 Ca -0.05 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.74 2lig h ALA 121 Cb 1.38 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 19.06 2lig h ALA 121 CO 0.15 0.26 -0.08 -0.97 0.00 0.00 0.00 179.25 178.61 2lig h ASN 122 N 0.35 0.23 -0.90 0.00 -1.24 -1.38 -2.61 115.58 110.03 2lig h ASN 122 Ca 0.09 -0.47 -0.00 0.00 0.71 0.00 0.00 56.30 56.62 2lig h ASN 122 Cb 0.12 -0.06 -0.04 0.00 0.73 0.00 0.00 38.32 39.06 2lig h ASN 122 CO -0.01 0.65 0.56 0.58 -1.29 0.00 0.00 177.43 177.93 2lig h VAL 123 N -0.19 1.24 -0.66 2.57 2.07 -1.10 -2.19 116.25 117.99 2lig h VAL 123 Ca 0.02 -0.51 -0.08 0.00 0.82 0.00 0.00 66.70 66.94 2lig h VAL 123 Cb 0.59 -0.05 -0.03 0.00 -1.52 0.00 0.00 31.29 30.28 2lig h VAL 123 CO 0.02 0.25 0.09 -0.78 0.02 0.00 0.00 177.57 177.17 2lig h ASP 124 N 1.24 1.05 -0.09 0.57 3.58 -0.23 -1.06 116.42 121.48 2lig h ASP 124 Ca 0.33 -0.26 -0.01 0.00 0.42 0.00 0.00 57.03 57.51 2lig h ASP 124 Cb -0.08 -0.28 -0.00 0.00 1.72 0.00 0.00 39.33 40.69 2lig h ASP 124 CO -0.06 1.05 0.02 -0.08 -2.88 0.00 0.00 179.24 177.29 2lig h GLU 125 N 1.02 0.15 0.00 0.28 4.81 -1.04 -1.13 114.58 118.68 2lig h GLU 125 Ca 0.20 -0.04 -0.06 0.00 -0.13 0.00 0.00 59.36 59.33 2lig h GLU 125 Cb 0.46 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.81 2lig h GLU 125 CO 0.02 0.33 -0.29 0.87 -0.73 0.00 0.00 179.01 179.21 2lig h LYS 126 N -0.06 0.00 -0.00 1.92 6.56 -1.39 -2.49 116.57 121.10 2lig h LYS 126 Ca 0.03 0.00 -0.09 0.00 -1.06 0.00 0.00 60.65 59.53 2lig h LYS 126 Cb 0.25 0.00 0.01 0.00 -0.57 0.00 0.00 32.23 31.92 2lig h LYS 126 CO 0.00 0.29 -0.33 -0.92 -2.06 0.00 0.00 179.45 176.42 2lig h TYR 127 N 0.00 0.34 -0.82 -1.35 3.20 -0.89 -1.86 116.97 115.60 2lig h TYR 127 Ca -0.00 -0.18 0.04 0.00 3.14 0.00 0.00 58.73 61.73 2lig h TYR 127 Cb 0.61 -0.04 -0.05 0.00 1.54 0.00 0.00 36.73 38.78 2lig h TYR 127 CO 0.00 0.99 0.51 1.96 -1.64 0.00 0.00 178.16 179.98 2lig h GLN 128 N -0.40 0.95 -0.18 1.82 1.08 -1.13 0.46 115.11 117.70 2lig h GLN 128 Ca -0.04 -0.06 -0.01 0.00 -1.45 0.00 0.00 58.65 57.09 2lig h GLN 128 Cb 1.07 -0.21 -0.01 0.00 -0.05 0.00 0.00 27.48 28.28 2lig h GLN 128 CO 0.07 0.63 0.08 0.00 -0.95 0.00 0.00 178.83 178.65 2lig h ARG 129 N 0.97 0.27 0.00 1.46 3.08 -1.49 -2.44 114.38 116.23 2lig h ARG 129 Ca 0.34 -0.04 -0.11 0.00 0.07 0.00 0.00 59.98 60.23 2lig h ARG 129 Cb 0.07 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.06 2lig h ARG 129 CO -0.14 0.32 -0.54 -0.92 -1.07 0.00 0.00 179.97 177.62 2lig h TYR 130 N 0.16 0.00 0.12 3.04 3.20 -0.41 -1.57 116.97 121.51 2lig h TYR 130 Ca 0.06 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.93 2lig h TYR 130 Cb 0.15 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.42 2lig h TYR 130 CO -0.02 0.54 -0.06 0.37 -1.64 0.00 0.00 178.16 177.36 2lig h GLN 131 N 0.00 -0.15 -0.97 1.82 -0.00 -0.94 -2.00 115.11 112.87 2lig h GLN 131 Ca -0.01 0.01 0.32 0.00 -0.00 0.00 0.00 58.65 58.98 2lig h GLN 131 Cb 1.00 0.03 -0.17 0.00 0.00 0.00 0.00 27.48 28.34 2lig h GLN 131 CO 0.07 0.24 0.34 0.00 0.00 0.00 0.00 178.83 179.47 2lig h ALA 132 N 0.24 1.67 -0.28 3.38 0.00 -1.37 0.14 119.26 123.04 2lig h ALA 132 Ca -0.02 0.27 -0.10 0.00 0.00 0.00 0.00 54.91 55.07 2lig h ALA 132 Cb 0.45 0.37 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 2lig h ALA 132 CO 0.03 -0.68 -0.20 0.00 0.00 0.00 0.00 179.25 178.39 2lig h ALA 133 N 1.92 0.40 -0.60 0.00 0.00 -1.00 -1.90 119.26 118.08 2lig h ALA 133 Ca 0.70 -0.36 -0.07 0.00 0.00 0.00 0.00 54.91 55.18 2lig h ALA 133 Cb 1.63 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 19.31 2lig h ALA 133 CO -0.76 0.34 0.08 -0.07 0.00 0.00 0.00 179.25 178.84 2lig h LEU 134 N 0.36 0.96 -1.31 0.00 3.38 -0.62 -0.87 115.31 117.20 2lig h LEU 134 Ca 0.05 -0.27 -0.04 0.00 0.09 0.00 0.00 57.88 57.71 2lig h LEU 134 Cb 0.74 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.22 2lig h LEU 134 CO 0.05 0.98 -0.00 0.00 0.09 0.00 0.00 178.44 179.57 2lig h ALA 135 N 1.01 1.44 -0.16 1.53 0.00 -0.70 -1.69 119.26 120.69 2lig h ALA 135 Ca 0.18 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 2lig h ALA 135 Cb 0.44 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 2lig h ALA 135 CO 0.01 0.40 0.04 1.49 0.00 0.00 0.00 179.25 181.19 2lig h GLU 136 N 0.44 0.25 -0.07 0.00 4.81 -0.90 -1.90 114.58 117.22 2lig h GLU 136 Ca 0.10 -0.06 -0.05 0.00 -0.13 0.00 0.00 59.36 59.22 2lig h GLU 136 Cb 0.29 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.63 2lig h GLU 136 CO 0.01 0.39 -0.20 -0.07 -0.73 0.00 0.00 179.01 178.40 2lig h LEU 137 N 0.07 0.11 -0.59 1.64 3.38 -0.51 -1.82 115.31 117.60 2lig h LEU 137 Ca 0.05 -0.03 -0.10 0.00 0.09 0.00 0.00 57.88 57.90 2lig h LEU 137 Cb 0.24 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 40.94 2lig h LEU 137 CO -0.00 0.33 -0.00 0.40 0.09 0.00 0.00 178.44 179.25 2lig h ILE 138 N 0.11 1.27 -0.06 1.22 2.04 -0.92 -2.45 117.51 118.72 2lig h ILE 138 Ca 0.02 -1.15 -0.13 0.00 1.00 0.00 0.00 64.86 64.60 2lig h ILE 138 Cb 0.43 0.83 -0.01 0.00 -0.74 0.00 0.00 36.82 37.33 2lig h ILE 138 CO 0.03 0.42 -0.57 -0.61 0.00 0.00 0.00 178.15 177.41 2lig h GLN 139 N 0.93 0.18 0.50 2.37 5.75 -0.67 0.26 115.11 124.43 2lig h GLN 139 Ca 0.17 -0.12 -0.02 0.00 -0.15 0.00 0.00 58.65 58.53 2lig h GLN 139 Cb 0.56 0.01 -0.01 0.00 1.07 0.00 0.00 27.48 29.12 2lig h GLN 139 CO 0.03 0.70 -0.34 0.74 -2.65 0.00 0.00 178.83 177.31 2lig h PHE 140 N 0.14 -0.90 -0.36 3.99 0.04 -1.20 -0.69 116.94 117.95 2lig h PHE 140 Ca -0.00 -0.01 -0.06 0.00 2.80 0.00 0.00 57.97 60.70 2lig h PHE 140 Cb 1.05 0.33 -0.02 0.00 2.20 0.00 0.00 35.95 39.51 2lig h PHE 140 CO 0.01 -0.51 -0.02 -0.07 -0.60 0.00 0.00 178.31 177.12 2lig h LEU 141 N -0.81 0.54 -2.12 1.54 3.38 -1.18 0.48 115.31 117.14 2lig h LEU 141 Ca -0.06 -0.11 0.07 0.00 0.09 0.00 0.00 57.88 57.87 2lig h LEU 141 Cb 0.68 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.28 2lig h LEU 141 CO 0.04 0.63 0.19 -0.78 0.09 0.00 0.00 178.44 178.61 2lig h ASP 142 N 0.54 0.00 -0.28 -0.43 1.82 -0.04 -2.18 116.42 115.85 2lig h ASP 142 Ca 0.11 0.00 -0.05 0.00 -0.39 0.00 0.00 57.03 56.70 2lig h ASP 142 Cb 0.38 0.00 -0.03 0.00 0.68 0.00 0.00 39.33 40.36 2lig h ASP 142 CO 0.02 0.00 -0.00 0.59 -1.61 0.00 0.00 179.24 178.23 2lig n ASN 143 N -4.14 3.51 -0.25 2.28 5.03 -0.31 -4.93 115.26 116.45 2lig n ASN 143 Ca 0.03 -3.20 -0.03 0.00 0.87 0.00 0.00 54.58 52.24 2lig n ASN 143 Cb 0.34 -0.57 -0.01 0.00 -1.02 0.00 0.00 39.78 38.51 2lig n ASN 143 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2lig n GLY 144 N -0.70 0.53 3.44 7.41 0.00 -0.82 -4.93 105.19 110.12 2lig n GLY 144 Ca 0.24 -0.16 -0.44 0.00 0.00 0.00 0.00 46.02 45.66 2lig n GLY 144 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2lig s ASN 145 N -2.27 6.89 0.14 1.61 3.84 0.02 -4.79 114.94 120.39 2lig s ASN 145 Ca 0.00 -2.65 -0.15 0.00 0.21 0.00 0.00 52.86 50.27 2lig s ASN 145 Cb 0.00 -2.37 0.01 0.00 -0.55 0.00 0.00 41.25 38.35 2lig s ASN 145 CO 0.00 -0.82 1.68 0.24 -2.79 0.00 0.00 177.10 175.41 2lig h MET 146 N 7.83 0.68 -0.46 0.43 2.86 -1.92 -2.47 114.93 121.88 2lig h MET 146 Ca 0.22 -0.13 -0.08 0.00 -2.06 0.00 0.00 59.70 57.65 2lig h MET 146 Cb 0.95 -0.11 -0.02 0.00 0.06 0.00 0.00 31.60 32.48 2lig h MET 146 CO 1.13 0.64 -0.03 -0.44 1.06 0.00 0.00 176.91 179.27 2lig h ASP 147 N 0.58 0.75 -0.25 1.22 3.32 -1.98 -0.73 116.42 119.33 2lig h ASP 147 Ca 0.15 -0.19 -0.14 0.00 0.02 0.00 0.00 57.03 56.86 2lig h ASP 147 Cb 0.22 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.56 2lig h ASP 147 CO -0.01 0.84 -0.36 0.00 -1.72 0.00 0.00 179.24 177.99 2lig h ALA 148 N 1.24 0.72 0.30 3.45 0.00 -1.93 -0.92 119.26 122.13 2lig h ALA 148 Ca 0.14 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 54.61 2lig h ALA 148 Cb 0.49 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 2lig h ALA 148 CO 0.02 0.66 -0.36 -0.92 0.00 0.00 0.00 179.25 178.66 2lig h TYR 149 N 0.65 -0.97 -0.89 0.00 3.20 -1.04 -2.53 116.97 115.39 2lig h TYR 149 Ca 0.06 0.01 -0.02 0.00 3.14 0.00 0.00 58.73 61.92 2lig h TYR 149 Cb 0.91 0.39 -0.04 0.00 1.54 0.00 0.00 36.73 39.52 2lig h TYR 149 CO 0.05 -0.49 0.48 0.74 -1.64 0.00 0.00 178.16 177.30 2lig h PHE 150 N -0.71 1.24 0.00 -3.82 0.04 -1.09 -3.20 116.94 109.41 2lig h PHE 150 Ca -0.01 -0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.72 2lig h PHE 150 Cb 0.66 -0.39 0.00 0.00 2.20 0.00 0.00 35.95 38.41 2lig h PHE 150 CO -0.23 0.86 0.00 0.00 -0.60 0.00 0.00 178.31 178.34 2lig h ALA 151 N 1.27 1.00 -2.50 2.45 0.00 -1.14 -3.46 119.26 116.89 2lig h ALA 151 Ca 0.31 0.00 -0.53 0.00 0.00 0.00 0.00 54.91 54.69 2lig h ALA 151 Cb 0.04 0.00 0.03 0.00 0.00 0.00 0.00 17.79 17.86 2lig h ALA 151 CO -0.05 0.00 0.99 -1.14 0.00 0.00 0.00 179.25 179.05 2lig s GLN 152 N -3.38 4.19 -1.34 0.00 0.74 -0.96 -4.89 119.66 114.02 2lig s GLN 152 Ca 0.05 2.38 -0.12 0.00 0.05 0.00 0.00 55.36 57.71 2lig s GLN 152 Cb 0.08 -3.49 -0.05 0.00 1.10 0.00 0.00 33.01 30.65 2lig s GLN 152 CO 0.59 -0.72 2.44 -0.35 -0.55 0.00 0.00 175.29 176.70 2lig n PRO 153 N 5.22 2.86 -0.11 1.67 -0.04 -1.26 -4.66 135.00 138.68 2lig n PRO 153 Ca 0.16 -2.16 -0.03 0.00 -0.04 0.00 0.00 63.50 61.43 2lig n PRO 153 Cb 0.40 -2.92 0.20 0.00 -0.04 0.00 0.00 33.50 31.14 2lig n PRO 153 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 2lig h THR 154 N 3.60 1.22 -0.84 0.52 2.02 -1.95 -3.00 112.91 114.48 2lig h THR 154 Ca 0.65 -0.84 0.01 0.00 0.77 0.00 0.00 66.41 67.01 2lig h THR 154 Cb 0.43 0.74 -0.04 0.00 -1.74 0.00 0.00 68.15 67.54 2lig h THR 154 CO 1.79 0.31 0.56 -0.61 0.37 0.00 0.00 175.52 177.93 2lig h GLN 155 N 0.75 1.09 -0.44 6.66 5.75 -2.00 -1.68 115.11 125.24 2lig h GLN 155 Ca 0.16 -0.07 -0.15 0.00 -0.15 0.00 0.00 58.65 58.45 2lig h GLN 155 Cb 0.32 -0.25 -0.01 0.00 1.07 0.00 0.00 27.48 28.62 2lig h GLN 155 CO 0.00 0.72 -0.29 0.78 -2.65 0.00 0.00 178.83 177.39 2lig h GLY 156 N 1.13 1.07 1.84 2.39 0.00 -1.93 -0.24 103.07 107.33 2lig h GLY 156 Ca 0.31 -1.01 -0.09 0.00 0.00 0.00 0.00 47.33 46.55 2lig h GLY 156 CO -0.07 0.92 -0.34 -0.33 0.00 0.00 0.00 176.54 176.72 2lig h MET 157 N 0.82 0.18 -0.15 4.80 2.86 -1.44 -1.15 114.93 120.85 2lig h MET 157 Ca 0.09 -0.07 -0.07 0.00 -2.06 0.00 0.00 59.70 57.58 2lig h MET 157 Cb 0.88 -0.01 -0.00 0.00 0.06 0.00 0.00 31.60 32.53 2lig h MET 157 CO 0.08 0.50 -0.19 0.37 1.06 0.00 0.00 176.91 178.73 2lig h GLN 158 N 0.16 0.40 -1.00 1.72 4.15 -1.21 -2.58 115.11 116.75 2lig h GLN 158 Ca 0.02 -0.23 0.07 0.00 0.77 0.00 0.00 58.65 59.28 2lig h GLN 158 Cb 0.68 0.02 -0.07 0.00 0.21 0.00 0.00 27.48 28.31 2lig h GLN 158 CO 0.05 0.80 0.65 -0.91 -1.93 0.00 0.00 178.83 177.49 2lig h ASN 159 N 0.03 1.03 -0.14 -0.69 2.35 -0.88 -1.05 115.58 116.23 2lig h ASN 159 Ca 0.02 0.01 -0.00 0.00 -0.55 0.00 0.00 56.30 55.78 2lig h ASN 159 Cb 0.75 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.90 2lig h ASN 159 CO 0.05 0.66 0.08 0.00 -1.65 0.00 0.00 177.43 176.56 2lig h ALA 160 N 1.46 0.18 -0.49 -0.83 0.00 -1.18 -1.10 119.26 117.30 2lig h ALA 160 Ca 0.43 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 55.24 2lig h ALA 160 Cb 0.18 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 2lig h ALA 160 CO -0.17 -0.30 0.07 1.25 0.00 0.00 0.00 179.25 180.10 2lig h LEU 161 N 0.14 0.78 -0.13 0.00 5.85 -1.18 -0.36 115.31 120.41 2lig h LEU 161 Ca 0.05 -0.26 0.05 0.00 0.84 0.00 0.00 57.88 58.55 2lig h LEU 161 Cb 0.05 -0.21 -0.06 0.00 0.37 0.00 0.00 40.66 40.81 2lig h LEU 161 CO -0.01 0.85 -0.26 1.23 -0.34 0.00 0.00 178.44 179.91 2lig h GLY 162 N 0.68 -0.30 1.02 3.75 0.00 -0.98 -0.70 103.07 106.55 2lig h GLY 162 Ca 0.15 0.32 -0.01 0.00 0.00 0.00 0.00 47.33 47.79 2lig h GLY 162 CO 0.01 -0.21 0.47 -2.09 0.00 0.00 0.00 176.54 174.73 2lig h GLU 163 N -0.33 1.15 0.00 4.80 4.81 -1.09 -0.39 114.58 123.53 2lig h GLU 163 Ca 0.10 -0.13 -0.09 0.00 -0.13 0.00 0.00 59.36 59.11 2lig h GLU 163 Cb 0.48 -0.23 -0.01 0.00 0.63 0.00 0.00 28.75 29.62 2lig h GLU 163 CO -0.32 0.84 -0.44 0.00 -0.73 0.00 0.00 179.01 178.35 2lig h ALA 164 N 1.25 1.11 -0.44 2.92 0.00 -0.68 -2.36 119.26 121.07 2lig h ALA 164 Ca 0.30 -0.40 -0.13 0.00 0.00 0.00 0.00 54.91 54.67 2lig h ALA 164 Cb 0.01 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 2lig h ALA 164 CO -0.05 0.56 -0.24 -0.07 0.00 0.00 0.00 179.25 179.45 2lig h LEU 165 N 0.00 0.97 -0.94 0.00 3.38 -0.30 -2.03 115.31 116.39 2lig h LEU 165 Ca -0.00 -0.41 -0.09 0.00 0.09 0.00 0.00 57.88 57.47 2lig h LEU 165 Cb 0.87 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.34 2lig h LEU 165 CO 0.06 1.17 -0.41 1.23 0.09 0.00 0.00 178.44 180.58 2lig h GLY 166 N 0.77 0.00 0.38 0.83 0.00 -0.76 -1.88 103.07 102.41 2lig h GLY 166 Ca 0.09 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.42 2lig h GLY 166 CO 0.07 0.00 -0.06 -0.57 0.00 0.00 0.00 176.54 175.98 2lig h ASN 167 N 0.00 -0.13 -0.59 0.19 -0.73 -1.32 -1.80 115.58 111.20 2lig h ASN 167 Ca -0.00 -0.43 0.12 0.00 1.87 0.00 0.00 56.30 57.86 2lig h ASN 167 Cb 0.91 0.03 -0.10 0.00 0.27 0.00 0.00 38.32 39.44 2lig h ASN 167 CO 0.05 0.43 0.02 0.22 -0.37 0.00 0.00 177.43 177.79 2lig h TYR 168 N -0.78 0.01 -0.88 0.67 5.03 -1.33 -0.63 116.97 119.06 2lig h TYR 168 Ca -0.02 0.04 0.11 0.00 2.58 0.00 0.00 58.73 61.44 2lig h TYR 168 Cb 0.55 0.09 -0.06 0.00 1.55 0.00 0.00 36.73 38.86 2lig h TYR 168 CO 0.10 -0.13 0.57 0.00 -1.32 0.00 0.00 178.16 177.38 2lig h ALA 169 N 1.52 1.69 -0.61 1.82 0.00 -1.37 -0.58 119.26 121.73 2lig h ALA 169 Ca 0.31 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 55.16 2lig h ALA 169 Cb 0.48 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 2lig h ALA 169 CO -0.48 0.11 0.17 0.00 0.00 0.00 0.00 179.25 179.06 2lig h ARG 170 N 0.82 0.97 -0.17 0.00 3.08 -0.28 -2.03 114.38 116.76 2lig h ARG 170 Ca 0.42 -0.22 -0.14 0.00 0.07 0.00 0.00 59.98 60.11 2lig h ARG 170 Cb 0.48 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.40 2lig h ARG 170 CO -0.18 0.87 -0.44 0.28 -1.07 0.00 0.00 179.97 179.43 2lig h VAL 171 N 0.89 1.33 -0.84 2.04 2.07 -0.77 -1.35 116.25 119.62 2lig h VAL 171 Ca 0.20 -1.68 0.09 0.00 0.82 0.00 0.00 66.70 66.12 2lig h VAL 171 Cb 0.32 1.94 -0.07 0.00 -1.52 0.00 0.00 31.29 31.96 2lig h VAL 171 CO -0.00 0.52 0.49 0.28 0.02 0.00 0.00 177.57 178.88 2lig h SER 172 N 0.27 0.72 -0.83 0.57 0.02 -1.11 -2.84 113.55 110.34 2lig h SER 172 Ca -0.00 0.04 0.09 0.00 -0.84 0.00 0.00 61.79 61.08 2lig h SER 172 Cb 1.05 -0.10 -0.07 0.00 0.14 0.00 0.00 62.40 63.41 2lig h SER 172 CO 0.09 0.42 0.48 -0.08 -1.14 0.00 0.00 176.83 176.61 2lig h GLU 173 N 0.84 0.79 -0.57 3.45 4.57 -1.21 0.20 114.58 122.66 2lig h GLU 173 Ca 0.40 -0.05 -0.08 0.00 -1.18 0.00 0.00 59.36 58.45 2lig h GLU 173 Cb 0.32 -0.18 -0.02 0.00 -0.16 0.00 0.00 28.75 28.72 2lig h GLU 173 CO -0.23 0.52 0.04 -0.91 -1.18 0.00 0.00 179.01 177.25 2lig h ASN 174 N 0.81 0.95 -0.27 1.04 2.35 -1.02 -0.43 115.58 119.01 2lig h ASN 174 Ca 0.40 -0.29 -0.15 0.00 -0.55 0.00 0.00 56.30 55.71 2lig h ASN 174 Cb 0.34 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 38.45 2lig h ASN 174 CO -0.24 1.00 -0.38 0.25 -1.65 0.00 0.00 177.43 176.42 2lig h LEU 175 N 0.87 0.87 -0.16 1.61 6.46 -1.27 -2.27 115.31 121.42 2lig h LEU 175 Ca 0.17 -0.39 -0.02 0.00 -0.12 0.00 0.00 57.88 57.52 2lig h LEU 175 Cb 0.50 -0.24 -0.01 0.00 -0.73 0.00 0.00 40.66 40.18 2lig h LEU 175 CO 0.02 1.14 0.03 0.22 -0.62 0.00 0.00 178.44 179.24 2lig h TYR 176 N 0.67 0.27 -0.32 1.25 3.20 -0.54 -2.40 116.97 119.11 2lig h TYR 176 Ca 0.06 -0.03 -0.05 0.00 3.14 0.00 0.00 58.73 61.84 2lig h TYR 176 Cb 0.94 -0.08 -0.02 0.00 1.54 0.00 0.00 36.73 39.12 2lig h TYR 176 CO 0.05 0.40 -0.03 0.00 -1.64 0.00 0.00 178.16 176.95 2lig h ARG 177 N 0.06 0.50 0.00 1.82 3.08 -0.95 -2.58 114.38 116.31 2lig h ARG 177 Ca 0.05 -0.11 0.00 0.00 0.07 0.00 0.00 59.98 59.99 2lig h ARG 177 Cb 0.27 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.25 2lig h ARG 177 CO 0.00 0.55 0.00 1.04 -1.07 0.00 0.00 179.97 180.49 2lig n GLN 178 N -4.27 0.45 -0.03 0.04 6.02 -0.86 -2.61 117.38 116.12 2lig n GLN 178 Ca 0.01 0.00 -0.22 0.00 -0.01 0.00 0.00 57.00 56.79 2lig n GLN 178 Cb 0.26 -1.31 -0.13 0.00 1.02 0.00 0.00 30.24 30.07 2lig n GLN 178 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 2lig n THR 179 N -0.81 1.70 -2.79 5.09 -2.24 -0.97 -4.58 114.28 109.68 2lig n THR 179 Ca 0.07 -0.52 -0.43 0.00 -2.27 0.00 0.00 64.05 60.91 2lig n THR 179 Cb 0.03 -1.77 -0.03 0.00 -2.10 0.00 0.00 70.33 66.46 2lig n THR 179 CO 0.00 0.00 0.00 0.72 -0.57 0.00 0.00 175.07 175.22 2lig s PHE 180 N -2.52 2.78 0.00 4.78 -0.71 -1.07 -4.76 117.98 116.49 2lig s PHE 180 Ca -0.25 -0.91 0.00 0.00 -1.04 0.00 0.00 56.93 54.73 2lig s PHE 180 Cb 0.07 -4.41 0.00 0.00 -1.21 0.00 0.00 43.02 37.47 2lig s PHE 180 CO 0.71 -1.69 0.00 -0.40 -1.34 0.00 0.00 175.22 172.50