#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k9p s ASN 32 N 0.00 -0.47 0.00 1.61 0.01 -1.26 -5.16 114.94 109.67 2k9p s ASN 32 Ca 0.00 0.91 0.00 0.00 -0.71 0.00 0.00 52.86 53.06 2k9p s ASN 32 Cb 0.00 0.92 0.00 0.00 0.41 0.00 0.00 41.25 42.58 2k9p s ASN 32 CO 0.00 -0.16 0.00 0.61 -1.51 0.00 0.00 177.10 176.04 2k9p n GLY 33 N 2.86 2.38 3.24 0.66 0.00 -1.26 -5.14 105.19 107.93 2k9p n GLY 33 Ca -0.13 -1.86 -0.10 0.00 0.00 0.00 0.00 46.02 43.93 2k9p n GLY 33 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2k9p s SER 34 N 0.00 0.17 -0.43 1.61 1.04 -1.26 -4.92 113.70 109.91 2k9p s SER 34 Ca 0.00 -1.16 0.00 0.00 0.48 0.00 0.00 55.95 55.27 2k9p s SER 34 Cb 0.00 0.38 0.00 0.00 0.10 0.00 0.00 66.02 66.50 2k9p s SER 34 CO 0.00 -0.83 0.00 1.07 0.98 0.00 0.00 173.24 174.46 2k9p n THR 35 N -0.19 -0.24 -1.43 2.02 5.66 -1.26 -4.92 114.28 113.93 2k9p n THR 35 Ca -0.04 0.00 -0.32 0.00 -3.05 0.00 0.00 64.05 60.64 2k9p n THR 35 Cb 0.64 -0.71 0.08 0.00 -1.55 0.00 0.00 70.33 68.79 2k9p n THR 35 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 175.07 171.39 2k9p s ILE 36 N -2.24 3.14 1.05 1.09 1.09 -1.26 -5.01 121.20 119.06 2k9p s ILE 36 Ca 0.00 0.44 -0.14 0.00 -1.10 0.00 0.00 60.65 59.86 2k9p s ILE 36 Cb 0.00 -2.91 0.15 0.00 -1.06 0.00 0.00 42.46 38.64 2k9p s ILE 36 CO 0.00 -0.41 0.66 0.41 -0.10 0.00 0.00 174.94 175.49 2k9p n THR 37 N -3.09 0.00 1.06 2.92 -1.04 -1.26 -4.95 114.28 107.92 2k9p n THR 37 Ca 0.10 -0.25 0.14 0.00 -2.04 0.00 0.00 64.05 62.00 2k9p n THR 37 Cb 0.52 -0.81 0.52 0.00 -1.82 0.00 0.00 70.33 68.74 2k9p n THR 37 CO 0.00 0.00 0.00 0.49 -0.64 0.00 0.00 175.07 174.92 2k9p n PHE 38 N -4.36 0.00 0.41 -1.42 3.01 -1.26 -4.26 117.46 109.58 2k9p n PHE 38 Ca 0.05 0.00 -0.19 0.00 1.01 0.00 0.00 57.45 58.32 2k9p n PHE 38 Cb 0.55 -0.39 -0.10 0.00 -0.01 0.00 0.00 39.48 39.54 2k9p n PHE 38 CO 0.00 0.00 0.00 0.22 1.01 0.00 0.00 176.76 177.99 2k9p h ASP 39 N 0.06 -1.25 -0.72 4.37 3.58 -1.99 0.95 116.42 121.41 2k9p h ASP 39 Ca 0.00 0.07 0.10 0.00 0.42 0.00 0.00 57.03 57.63 2k9p h ASP 39 Cb 0.47 0.37 -0.07 0.00 1.72 0.00 0.00 39.33 41.82 2k9p h ASP 39 CO 0.00 -0.73 0.35 1.05 -2.88 0.00 0.00 179.24 177.03 2k9p h GLU 40 N -1.16 0.56 -0.09 0.28 9.09 -1.98 -1.17 114.58 120.11 2k9p h GLU 40 Ca -0.10 -0.03 0.00 0.00 0.05 0.00 0.00 59.36 59.28 2k9p h GLU 40 Cb 0.94 -0.13 -0.01 0.00 -1.65 0.00 0.00 28.75 27.91 2k9p h GLU 40 CO 0.08 0.37 0.04 -0.07 0.05 0.00 0.00 179.01 179.49 2k9p h LEU 41 N 0.58 0.07 0.45 3.06 3.38 -1.69 0.89 115.31 122.05 2k9p h LEU 41 Ca 0.36 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.32 2k9p h LEU 41 Cb 0.41 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.13 2k9p h LEU 41 CO -0.29 0.05 -0.38 1.56 0.09 0.00 0.00 178.44 179.48 2k9p h GLN 42 N 0.10 -0.79 -0.91 1.13 1.08 -0.37 -1.70 115.11 113.65 2k9p h GLN 42 Ca 0.03 0.05 0.08 0.00 -1.45 0.00 0.00 58.65 57.37 2k9p h GLN 42 Cb 0.00 0.18 -0.06 0.00 -0.05 0.00 0.00 27.48 27.55 2k9p h GLN 42 CO -0.02 -0.53 0.59 0.78 -0.95 0.00 0.00 178.83 178.70 2k9p h GLY 43 N -0.82 1.33 0.46 3.46 0.00 -1.17 -0.63 103.07 105.71 2k9p h GLY 43 Ca -0.04 -0.40 -0.02 0.00 0.00 0.00 0.00 47.33 46.87 2k9p h GLY 43 CO -0.02 0.25 -0.31 1.41 0.00 0.00 0.00 176.54 177.87 2k9p h LEU 44 N 0.97 -0.81 -1.29 3.11 3.38 -0.57 -2.12 115.31 117.98 2k9p h LEU 44 Ca 0.41 0.05 -0.07 0.00 0.09 0.00 0.00 57.88 58.36 2k9p h LEU 44 Cb 0.30 0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.28 2k9p h LEU 44 CO -0.17 -0.47 -0.33 1.62 0.09 0.00 0.00 178.44 179.18 2k9p h VAL 45 N -0.74 1.06 0.75 1.22 3.04 -1.24 0.84 116.25 121.18 2k9p h VAL 45 Ca -0.06 -1.22 -0.03 0.00 -1.01 0.00 0.00 66.70 64.38 2k9p h VAL 45 Cb 0.60 1.69 -0.00 0.00 -2.01 0.00 0.00 31.29 31.57 2k9p h VAL 45 CO 0.04 0.33 -0.47 -1.13 -1.01 0.00 0.00 177.57 175.34 2k9p h ASN 46 N 0.00 -1.18 -0.45 3.17 -1.24 -1.06 -3.41 115.58 111.41 2k9p h ASN 46 Ca -0.00 0.07 -0.29 0.00 0.71 0.00 0.00 56.30 56.78 2k9p h ASN 46 Cb 0.66 0.34 -0.20 0.00 0.73 0.00 0.00 38.32 39.85 2k9p h ASN 46 CO 0.04 -0.72 -0.61 -0.24 -1.29 0.00 0.00 177.43 174.61 2k9p n SER 47 N -5.60 -1.72 0.16 1.15 2.88 -0.80 -4.91 113.62 104.78 2k9p n SER 47 Ca -0.14 -3.50 0.00 0.00 -1.33 0.00 0.00 58.87 53.89 2k9p n SER 47 Cb 0.48 1.36 0.00 0.00 -0.75 0.00 0.00 64.21 65.30 2k9p n SER 47 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 2k9p n THR 48 N 0.51 0.00 -0.22 2.46 -1.04 -0.16 -4.89 114.28 110.94 2k9p n THR 48 Ca 0.10 0.00 -0.09 0.00 -2.04 0.00 0.00 64.05 62.03 2k9p n THR 48 Cb 0.68 -0.22 0.03 0.00 -1.82 0.00 0.00 70.33 69.00 2k9p n THR 48 CO 0.00 0.00 0.00 1.62 -0.64 0.00 0.00 175.07 176.05 2k9p h VAL 49 N 0.00 1.26 -0.58 12.58 3.04 -1.20 -3.01 116.25 128.34 2k9p h VAL 49 Ca 0.00 -1.03 -0.04 0.00 -1.01 0.00 0.00 66.70 64.62 2k9p h VAL 49 Cb 0.00 0.73 -0.03 0.00 -2.01 0.00 0.00 31.29 29.99 2k9p h VAL 49 CO 0.00 0.38 0.20 0.00 -1.01 0.00 0.00 177.57 177.14 2k9p h THR 50 N 0.93 1.22 -0.00 3.17 1.03 -1.80 -2.33 112.91 115.13 2k9p h THR 50 Ca 0.18 -0.72 -0.07 0.00 -0.01 0.00 0.00 66.41 65.80 2k9p h THR 50 Cb 0.45 0.56 -0.01 0.00 -1.07 0.00 0.00 68.15 68.08 2k9p h THR 50 CO 0.01 0.28 -0.31 -0.61 -0.01 0.00 0.00 175.52 174.88 2k9p h GLN 51 N 0.84 0.00 -0.22 0.00 4.15 -1.87 -3.09 115.11 114.93 2k9p h GLN 51 Ca 0.19 -0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.62 2k9p h GLN 51 Cb 0.21 -0.00 -0.01 0.00 0.21 0.00 0.00 27.48 27.89 2k9p h GLN 51 CO -0.01 0.32 0.14 0.00 -1.93 0.00 0.00 178.83 177.34 2k9p h ALA 52 N 1.68 0.28 -0.12 3.38 0.00 -1.32 0.56 119.26 123.72 2k9p h ALA 52 Ca -0.00 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 54.90 2k9p h ALA 52 Cb 0.56 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 2k9p h ALA 52 CO 0.04 -0.24 0.02 0.82 0.00 0.00 0.00 179.25 179.89 2k9p h ILE 53 N 0.28 0.94 0.46 0.00 5.03 -1.60 0.94 117.51 123.56 2k9p h ILE 53 Ca 0.08 -0.02 -0.02 0.00 -0.12 0.00 0.00 64.86 64.78 2k9p h ILE 53 Cb -0.01 0.87 0.00 0.00 -3.03 0.00 0.00 36.82 34.65 2k9p h ILE 53 CO -0.02 0.01 -0.24 -0.07 -0.68 0.00 0.00 178.15 177.16 2k9p h LEU 54 N 0.06 -0.58 0.00 1.44 3.38 -1.49 0.34 115.31 118.46 2k9p h LEU 54 Ca 0.05 0.03 0.03 0.00 0.09 0.00 0.00 57.88 58.07 2k9p h LEU 54 Cb 0.05 0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.92 2k9p h LEU 54 CO -0.07 -0.40 -0.18 0.15 0.09 0.00 0.00 178.44 178.03 2k9p h PHE 55 N -0.65 -0.47 -0.69 1.13 3.57 -0.81 -1.77 116.94 117.25 2k9p h PHE 55 Ca -0.06 0.02 0.06 0.00 3.53 0.00 0.00 57.97 61.51 2k9p h PHE 55 Cb 0.51 0.21 -0.05 0.00 2.79 0.00 0.00 35.95 39.40 2k9p h PHE 55 CO -0.06 -0.26 0.39 0.78 -2.23 0.00 0.00 178.31 176.93 2k9p h GLY 56 N -0.30 1.01 0.61 2.40 0.00 -0.72 0.98 103.07 107.05 2k9p h GLY 56 Ca 0.05 -0.28 -0.02 0.00 0.00 0.00 0.00 47.33 47.09 2k9p h GLY 56 CO -0.17 0.18 -0.48 -2.08 0.00 0.00 0.00 176.54 173.98 2k9p h VAL 57 N 0.73 0.00 -0.61 4.60 2.07 -0.64 0.81 116.25 123.21 2k9p h VAL 57 Ca 0.30 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.79 2k9p h VAL 57 Cb 0.17 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 29.91 2k9p h VAL 57 CO -0.17 0.00 0.25 0.03 0.02 0.00 0.00 177.57 177.70 2k9p h ARG 58 N -1.06 0.90 -0.26 1.57 3.08 -1.14 -1.81 114.38 115.66 2k9p h ARG 58 Ca -0.08 -0.16 0.03 0.00 0.07 0.00 0.00 59.98 59.84 2k9p h ARG 58 Cb 0.89 -0.15 -0.03 0.00 0.08 0.00 0.00 29.97 30.76 2k9p h ARG 58 CO 0.01 0.76 0.07 0.77 -1.07 0.00 0.00 179.97 180.51 2k9p h SER 59 N 0.84 0.06 -0.13 7.04 0.02 -0.78 0.82 113.55 121.41 2k9p h SER 59 Ca 0.20 0.03 -0.01 0.00 -0.84 0.00 0.00 61.79 61.18 2k9p h SER 59 Cb 0.18 0.03 -0.01 0.00 0.14 0.00 0.00 62.40 62.75 2k9p h SER 59 CO -0.02 0.07 0.05 1.23 -1.14 0.00 0.00 176.83 177.02 2k9p h GLY 60 N 0.18 0.22 0.86 -3.77 0.00 -0.54 0.22 103.07 100.24 2k9p h GLY 60 Ca 0.12 -0.13 -0.00 0.00 0.00 0.00 0.00 47.33 47.31 2k9p h GLY 60 CO -0.13 0.12 0.03 0.00 0.00 0.00 0.00 176.54 176.55 2k9p h ALA 61 N 0.87 0.09 -0.83 3.60 0.00 -1.29 -0.82 119.26 120.88 2k9p h ALA 61 Ca 0.04 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2k9p h ALA 61 Cb 0.20 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.92 2k9p h ALA 61 CO -0.00 -0.32 0.53 0.00 0.00 0.00 0.00 179.25 179.45 2k9p h ALA 62 N 0.87 1.37 0.21 0.00 0.00 -0.79 -1.43 119.26 119.49 2k9p h ALA 62 Ca 0.02 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 2k9p h ALA 62 Cb 0.17 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 17.62 2k9p h ALA 62 CO -0.00 0.57 -0.10 0.00 0.00 0.00 0.00 179.25 179.72 2k9p h ALA 63 N 1.45 -0.28 -0.38 0.00 0.00 -0.45 -1.34 119.26 118.26 2k9p h ALA 63 Ca 0.30 -0.13 0.07 0.00 0.00 0.00 0.00 54.91 55.16 2k9p h ALA 63 Cb -0.10 0.11 -0.07 0.00 0.00 0.00 0.00 17.79 17.73 2k9p h ALA 63 CO -0.06 -0.56 -0.07 1.25 0.00 0.00 0.00 179.25 179.81 2k9p h LEU 64 N -0.46 -0.30 -0.75 0.00 6.46 -0.87 0.43 115.31 119.82 2k9p h LEU 64 Ca -0.03 0.11 -0.03 0.00 -0.12 0.00 0.00 57.88 57.81 2k9p h LEU 64 Cb 0.35 0.21 -0.03 0.00 -0.73 0.00 0.00 40.66 40.46 2k9p h LEU 64 CO 0.05 -0.10 0.37 0.00 -0.62 0.00 0.00 178.44 178.13 2k9p h THR 65 N 0.03 1.24 -0.27 1.05 1.03 -1.28 -1.46 112.91 113.24 2k9p h THR 65 Ca 0.18 -0.66 -0.07 0.00 -0.01 0.00 0.00 66.41 65.86 2k9p h THR 65 Cb 0.28 0.29 -0.02 0.00 -1.07 0.00 0.00 68.15 67.64 2k9p h THR 65 CO -0.37 0.28 -0.13 0.17 -0.01 0.00 0.00 175.52 175.46 2k9p h LEU 66 N 1.05 0.45 0.21 0.00 8.10 -0.50 -2.17 115.31 122.44 2k9p h LEU 66 Ca 0.26 -0.11 -0.01 0.00 0.11 0.00 0.00 57.88 58.12 2k9p h LEU 66 Cb 0.10 -0.12 0.00 0.00 -0.44 0.00 0.00 40.66 40.21 2k9p h LEU 66 CO -0.03 0.61 -0.10 0.40 -4.11 0.00 0.00 178.44 175.20 2k9p h ILE 67 N 0.43 0.75 -0.63 0.15 2.04 -0.66 -1.58 117.51 118.01 2k9p h ILE 67 Ca 0.08 -0.98 0.05 0.00 1.00 0.00 0.00 64.86 65.02 2k9p h ILE 67 Cb 0.48 1.22 -0.05 0.00 -0.74 0.00 0.00 36.82 37.73 2k9p h ILE 67 CO 0.03 0.18 0.35 -0.37 0.00 0.00 0.00 178.15 178.34 2k9p h VAL 68 N -0.86 0.98 -0.54 1.67 -1.51 -1.27 -1.43 116.25 113.29 2k9p h VAL 68 Ca -0.03 -0.23 -0.04 0.00 -1.23 0.00 0.00 66.70 65.18 2k9p h VAL 68 Cb 0.51 0.27 -0.02 0.00 -2.13 0.00 0.00 31.29 29.92 2k9p h VAL 68 CO 0.05 0.12 0.20 1.62 -1.23 0.00 0.00 177.57 178.33 2k9p h VAL 69 N 0.66 1.23 -0.60 7.19 3.04 -1.48 -1.31 116.25 124.97 2k9p h VAL 69 Ca 0.28 -0.72 0.01 0.00 -1.01 0.00 0.00 66.70 65.25 2k9p h VAL 69 Cb 0.15 0.68 -0.03 0.00 -2.01 0.00 0.00 31.29 30.08 2k9p h VAL 69 CO -0.17 0.27 0.40 -0.50 -1.01 0.00 0.00 177.57 176.57 2k9p h TRP 70 N 0.74 0.76 0.24 3.17 -0.00 -0.52 0.18 115.95 120.53 2k9p h TRP 70 Ca 0.18 0.02 -0.01 0.00 -0.00 0.00 0.00 58.89 59.07 2k9p h TRP 70 Cb 0.23 -0.26 0.00 0.00 -0.00 0.00 0.00 29.16 29.13 2k9p h TRP 70 CO 0.01 0.48 -0.12 0.82 -0.00 0.00 0.00 178.44 179.63 2k9p h ILE 71 N 0.82 0.59 -0.42 1.49 5.03 -1.07 -1.47 117.51 122.48 2k9p h ILE 71 Ca 0.22 -0.93 -0.13 0.00 -0.12 0.00 0.00 64.86 63.90 2k9p h ILE 71 Cb -0.09 0.98 -0.01 0.00 -3.03 0.00 0.00 36.82 34.66 2k9p h ILE 71 CO -0.05 0.15 -0.25 0.00 -0.68 0.00 0.00 178.15 177.32 2k9p h THR 72 N -0.93 1.27 0.00 -0.27 1.03 -1.13 -2.94 112.91 109.93 2k9p h THR 72 Ca -0.03 -1.39 0.00 0.00 -0.01 0.00 0.00 66.41 64.97 2k9p h THR 72 Cb 0.49 1.21 0.00 0.00 -1.07 0.00 0.00 68.15 68.78 2k9p h THR 72 CO 0.05 0.47 -0.17 -0.24 -0.01 0.00 0.00 175.52 175.63 2k9p n SER 73 N -4.10 0.75 -3.54 0.00 2.88 0.62 -4.99 113.62 105.24 2k9p n SER 73 Ca -0.00 0.44 -0.23 0.00 -1.33 0.00 0.00 58.87 57.75 2k9p n SER 73 Cb 0.46 -0.52 0.03 0.00 -0.75 0.00 0.00 64.21 63.43 2k9p n SER 73 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 2k9p n ARG 74 N -2.19 -1.37 -1.68 -1.46 5.12 -0.59 -4.84 116.66 109.65 2k9p n ARG 74 Ca 0.05 0.73 -0.56 0.00 -1.93 0.00 0.00 57.85 56.15 2k9p n ARG 74 Cb 0.43 -4.30 -0.07 0.00 -1.16 0.00 0.00 32.46 27.36 2k9p n ARG 74 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 2k9p n SER 75 N -2.54 2.52 0.14 0.55 2.88 -0.98 -4.92 113.62 111.27 2k9p n SER 75 Ca -0.11 1.01 -0.06 0.00 -1.33 0.00 0.00 58.87 58.38 2k9p n SER 75 Cb 0.59 -1.18 -0.03 0.00 -0.75 0.00 0.00 64.21 62.84 2k9p n SER 75 CO 0.00 0.00 0.00 0.03 -1.23 0.00 0.00 175.04 173.84 2k9p h ARG 76 N 7.95 -0.38 -4.57 -1.46 3.08 -1.94 -3.40 114.38 113.66 2k9p h ARG 76 Ca -0.45 0.03 -0.72 0.00 0.07 0.00 0.00 59.98 58.91 2k9p h ARG 76 Cb 1.31 0.09 -0.21 0.00 0.08 0.00 0.00 29.97 31.24 2k9p h ARG 76 CO 0.97 -0.25 -0.29 0.15 -1.07 0.00 0.00 179.97 179.47 2k9p s LYS 77 N -3.95 3.02 -0.45 0.04 1.02 -1.26 -5.06 119.74 113.10 2k9p s LYS 77 Ca -0.06 -1.06 -0.19 0.00 0.02 0.00 0.00 55.97 54.68 2k9p s LYS 77 Cb 0.01 -4.04 0.03 0.00 -0.52 0.00 0.00 37.83 33.31 2k9p s LYS 77 CO 0.19 -0.92 0.57 0.95 -0.92 0.00 0.00 175.35 175.23 2k9p s THR 78 N 1.88 4.92 -0.25 2.17 -4.23 -1.26 -5.05 115.64 113.82 2k9p s THR 78 Ca 0.07 -0.20 -0.29 0.00 -1.18 0.00 0.00 61.69 60.10 2k9p s THR 78 Cb -0.20 -4.18 -0.03 0.00 1.34 0.00 0.00 72.50 69.43 2k9p s THR 78 CO 0.10 -0.60 1.80 -2.16 -0.54 0.00 0.00 174.62 173.22 2k9p s PRO 79 N 2.55 3.53 0.39 3.99 0.04 -1.26 -4.89 135.00 139.35 2k9p s PRO 79 Ca 0.17 1.68 0.21 0.00 0.04 0.00 0.00 61.00 63.09 2k9p s PRO 79 Cb -0.16 -4.16 1.20 0.00 0.04 0.00 0.00 34.50 31.42 2k9p s PRO 79 CO 0.15 -1.62 1.68 -0.84 0.04 0.00 0.00 177.00 176.41 2k9p h ILE 80 N 6.54 0.30 -0.05 0.56 3.07 -1.99 -1.34 117.51 124.60 2k9p h ILE 80 Ca -0.36 -0.09 0.03 0.00 1.55 0.00 0.00 64.86 65.99 2k9p h ILE 80 Cb 1.18 0.01 -0.04 0.00 -0.27 0.00 0.00 36.82 37.70 2k9p h ILE 80 CO 1.00 0.05 -0.15 0.15 -1.05 0.00 0.00 178.15 178.15 2k9p h PHE 81 N 0.27 -0.40 0.09 0.16 3.04 -1.99 0.62 116.94 118.72 2k9p h PHE 81 Ca 0.72 0.02 0.01 0.00 3.98 0.00 0.00 57.97 62.70 2k9p h PHE 81 Cb 1.92 0.19 -0.02 0.00 2.56 0.00 0.00 35.95 40.60 2k9p h PHE 81 CO -0.01 -0.23 -0.12 0.82 -2.02 0.00 0.00 178.31 176.76 2k9p h ILE 82 N -0.23 0.72 -0.51 1.41 5.03 -1.66 -1.61 117.51 120.66 2k9p h ILE 82 Ca 0.07 0.00 0.05 0.00 -0.12 0.00 0.00 64.86 64.85 2k9p h ILE 82 Cb 0.32 0.72 -0.04 0.00 -3.03 0.00 0.00 36.82 34.79 2k9p h ILE 82 CO -0.19 0.00 0.26 0.40 -0.68 0.00 0.00 178.15 177.94 2k9p h ILE 83 N -0.25 0.95 -0.23 -0.67 1.08 -1.12 -0.09 117.51 117.18 2k9p h ILE 83 Ca 0.01 -0.17 0.00 0.00 -0.39 0.00 0.00 64.86 64.32 2k9p h ILE 83 Cb 0.25 0.41 -0.01 0.00 -3.07 0.00 0.00 36.82 34.40 2k9p h ILE 83 CO -0.06 0.09 0.15 -1.13 -0.69 0.00 0.00 178.15 176.52 2k9p h ASN 84 N 0.50 0.26 -0.55 1.72 -1.24 -0.81 -1.55 115.58 113.91 2k9p h ASN 84 Ca 0.23 -0.00 0.07 0.00 0.71 0.00 0.00 56.30 57.31 2k9p h ASN 84 Cb 0.14 -0.06 -0.06 0.00 0.73 0.00 0.00 38.32 39.06 2k9p h ASN 84 CO -0.16 0.19 0.22 1.56 -1.29 0.00 0.00 177.43 177.94 2k9p h GLN 85 N 0.31 0.40 0.28 6.67 4.20 -0.64 -1.85 115.11 124.47 2k9p h GLN 85 Ca 0.09 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.78 2k9p h GLN 85 Cb -0.03 -0.09 -0.03 0.00 0.30 0.00 0.00 27.48 27.63 2k9p h GLN 85 CO -0.02 0.26 -0.33 0.28 -0.67 0.00 0.00 178.83 178.35 2k9p h VAL 86 N 0.41 0.31 0.09 -0.54 2.07 -0.67 -0.59 116.25 117.31 2k9p h VAL 86 Ca 0.27 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.81 2k9p h VAL 86 Cb 0.29 0.31 -0.05 0.00 -1.52 0.00 0.00 31.29 30.32 2k9p h VAL 86 CO -0.26 0.00 -0.38 -1.28 0.02 0.00 0.00 177.57 175.68 2k9p h SER 87 N -0.66 -1.12 0.11 0.57 0.87 -1.03 0.12 113.55 112.41 2k9p h SER 87 Ca -0.01 0.13 0.01 0.00 -1.23 0.00 0.00 61.79 60.70 2k9p h SER 87 Cb 0.62 0.43 -0.05 0.00 -0.44 0.00 0.00 62.40 62.96 2k9p h SER 87 CO -0.10 -0.45 -0.53 -0.07 -0.53 0.00 0.00 176.83 175.16 2k9p h LEU 88 N -0.59 -1.59 -0.73 2.23 3.38 -1.31 -2.65 115.31 114.06 2k9p h LEU 88 Ca 0.03 0.17 0.11 0.00 0.09 0.00 0.00 57.88 58.29 2k9p h LEU 88 Cb 0.63 0.59 -0.08 0.00 0.09 0.00 0.00 40.66 41.89 2k9p h LEU 88 CO -0.24 -0.55 0.33 0.15 0.09 0.00 0.00 178.44 178.21 2k9p h PHE 89 N -0.74 0.57 -0.42 1.13 3.57 -0.85 -1.51 116.94 118.69 2k9p h PHE 89 Ca -0.00 0.03 0.07 0.00 3.53 0.00 0.00 57.97 61.60 2k9p h PHE 89 Cb 0.76 -0.15 -0.06 0.00 2.79 0.00 0.00 35.95 39.29 2k9p h PHE 89 CO -0.46 0.15 0.04 -0.07 -2.23 0.00 0.00 178.31 175.74 2k9p h LEU 90 N 0.52 -0.10 -0.23 0.59 4.07 -0.76 -0.10 115.31 119.31 2k9p h LEU 90 Ca 0.38 0.09 -0.01 0.00 0.08 0.00 0.00 57.88 58.42 2k9p h LEU 90 Cb 0.49 0.14 -0.01 0.00 1.08 0.00 0.00 40.66 42.36 2k9p h LEU 90 CO -0.33 -0.01 0.11 0.40 -1.08 0.00 0.00 178.44 177.53 2k9p h ILE 91 N 0.15 1.14 -0.58 1.22 5.03 -1.02 -1.52 117.51 121.93 2k9p h ILE 91 Ca 0.20 -0.39 0.08 0.00 -0.12 0.00 0.00 64.86 64.63 2k9p h ILE 91 Cb 0.28 0.98 -0.06 0.00 -3.03 0.00 0.00 36.82 34.99 2k9p h ILE 91 CO -0.31 0.13 0.24 0.40 -0.68 0.00 0.00 178.15 177.94 2k9p h ILE 92 N 0.24 0.84 0.37 -0.67 1.08 -0.74 0.12 117.51 118.75 2k9p h ILE 92 Ca 0.08 -0.15 -0.01 0.00 -0.39 0.00 0.00 64.86 64.38 2k9p h ILE 92 Cb 0.12 0.35 -0.02 0.00 -3.07 0.00 0.00 36.82 34.20 2k9p h ILE 92 CO -0.01 0.08 -0.39 0.25 -0.69 0.00 0.00 178.15 177.39 2k9p h LEU 93 N 0.45 -1.09 -0.57 1.44 5.85 -0.95 -1.08 115.31 119.36 2k9p h LEU 93 Ca 0.28 0.09 0.06 0.00 0.84 0.00 0.00 57.88 59.15 2k9p h LEU 93 Cb 0.29 0.36 -0.05 0.00 0.37 0.00 0.00 40.66 41.64 2k9p h LEU 93 CO -0.25 -0.51 0.29 -0.74 -0.34 0.00 0.00 178.44 176.88 2k9p h HIS 94 N -0.77 0.53 0.15 1.25 2.76 -0.71 0.55 115.15 118.92 2k9p h HIS 94 Ca -0.05 0.02 -0.01 0.00 -2.20 0.00 0.00 60.37 58.14 2k9p h HIS 94 Cb 0.67 -0.15 0.00 0.00 1.55 0.00 0.00 27.41 29.48 2k9p h HIS 94 CO -0.23 0.24 -0.08 1.03 -1.30 0.00 0.00 177.93 177.59 2k9p h SER 95 N 0.54 -0.19 -0.39 3.26 0.87 -0.79 0.24 113.55 117.09 2k9p h SER 95 Ca 0.26 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.83 2k9p h SER 95 Cb 0.19 0.05 -0.02 0.00 -0.44 0.00 0.00 62.40 62.18 2k9p h SER 95 CO -0.19 -0.13 0.25 0.00 -0.53 0.00 0.00 176.83 176.23 2k9p h ALA 96 N 0.64 0.50 -0.84 6.23 0.00 -0.82 -1.54 119.26 123.42 2k9p h ALA 96 Ca -0.02 -0.04 0.06 0.00 0.00 0.00 0.00 54.91 54.91 2k9p h ALA 96 Cb 0.17 -0.16 -0.06 0.00 0.00 0.00 0.00 17.79 17.74 2k9p h ALA 96 CO 0.03 -0.02 0.52 1.37 0.00 0.00 0.00 179.25 181.14 2k9p h LEU 97 N 0.52 0.82 0.13 0.00 8.10 -0.78 -1.23 115.31 122.86 2k9p h LEU 97 Ca 0.14 0.02 -0.01 0.00 0.11 0.00 0.00 57.88 58.14 2k9p h LEU 97 Cb -0.03 -0.16 0.00 0.00 -0.44 0.00 0.00 40.66 40.04 2k9p h LEU 97 CO -0.03 0.53 -0.06 0.22 -4.11 0.00 0.00 178.44 174.99 2k9p h TYR 98 N 0.96 -0.16 -0.42 0.17 3.20 -0.35 0.11 116.97 120.47 2k9p h TYR 98 Ca 0.36 -0.00 0.05 0.00 3.14 0.00 0.00 58.73 62.28 2k9p h TYR 98 Cb 0.15 0.05 -0.04 0.00 1.54 0.00 0.00 36.73 38.43 2k9p h TYR 98 CO -0.03 0.03 0.17 0.35 -1.64 0.00 0.00 178.16 177.04 2k9p h PHE 99 N -0.33 0.30 -0.53 -3.82 3.57 -1.18 -1.05 116.94 113.90 2k9p h PHE 99 Ca -0.02 0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.53 2k9p h PHE 99 Cb 0.26 -0.07 -0.03 0.00 2.79 0.00 0.00 35.95 38.90 2k9p h PHE 99 CO -0.02 0.13 0.31 1.57 -2.23 0.00 0.00 178.31 178.07 2k9p h LYS 100 N 0.35 0.61 -0.45 1.11 2.10 -1.02 -0.54 116.57 118.72 2k9p h LYS 100 Ca 0.19 -0.04 -0.02 0.00 -2.00 0.00 0.00 60.65 58.78 2k9p h LYS 100 Cb 0.16 -0.14 -0.02 0.00 -0.90 0.00 0.00 32.23 31.33 2k9p h LYS 100 CO -0.18 0.40 0.19 -0.92 -2.00 0.00 0.00 179.45 176.94 2k9p h TYR 101 N 0.62 0.67 -0.06 0.07 3.20 -0.24 0.17 116.97 121.40 2k9p h TYR 101 Ca 0.21 -0.05 -0.00 0.00 3.14 0.00 0.00 58.73 62.03 2k9p h TYR 101 Cb 0.02 -0.20 -0.00 0.00 1.54 0.00 0.00 36.73 38.09 2k9p h TYR 101 CO -0.06 0.57 0.02 -0.07 -1.64 0.00 0.00 178.16 176.98 2k9p h LEU 102 N 0.58 0.09 -1.02 2.82 3.38 -1.08 -2.50 115.31 117.59 2k9p h LEU 102 Ca 0.15 -0.17 -0.07 0.00 0.09 0.00 0.00 57.88 57.88 2k9p h LEU 102 Cb 0.18 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 2k9p h LEU 102 CO -0.01 0.23 -0.01 0.17 0.09 0.00 0.00 178.44 178.91 2k9p h LEU 103 N -0.07 0.66 -0.22 1.67 8.10 -0.89 -3.08 115.31 121.47 2k9p h LEU 103 Ca 0.02 -0.15 -0.03 0.00 0.11 0.00 0.00 57.88 57.83 2k9p h LEU 103 Cb 0.18 -0.18 -0.01 0.00 -0.44 0.00 0.00 40.66 40.21 2k9p h LEU 103 CO -0.00 0.74 0.01 0.28 -4.11 0.00 0.00 178.44 175.36 2k9p h SER 104 N 0.65 0.38 -0.57 0.17 0.02 -0.60 -2.96 113.55 110.63 2k9p h SER 104 Ca 0.13 -0.29 0.02 0.00 -0.84 0.00 0.00 61.79 60.81 2k9p h SER 104 Cb 0.42 -0.10 -0.03 0.00 0.14 0.00 0.00 62.40 62.83 2k9p h SER 104 CO 0.02 0.57 0.38 0.78 -1.14 0.00 0.00 176.83 177.44 2k9p h ASN 105 N 0.16 0.62 -0.91 3.07 4.21 -1.43 -2.41 115.58 118.89 2k9p h ASN 105 Ca 0.06 -0.01 0.01 0.00 1.21 0.00 0.00 56.30 57.57 2k9p h ASN 105 Cb 0.37 -0.15 -0.05 0.00 -1.12 0.00 0.00 38.32 37.38 2k9p h ASN 105 CO 0.01 0.44 0.60 1.88 -1.29 0.00 0.00 177.43 179.07 2k9p h TYR 106 N 0.73 1.14 -1.46 1.19 0.05 -1.44 -3.43 116.97 113.74 2k9p h TYR 106 Ca 0.22 0.03 0.13 0.00 0.05 0.00 0.00 58.73 59.15 2k9p h TYR 106 Cb -0.00 -0.39 -0.22 0.00 1.01 0.00 0.00 36.73 37.13 2k9p h TYR 106 CO -0.00 0.71 0.03 0.45 -1.05 0.00 0.00 178.16 178.30 2k9p s SER 107 N -6.20 -0.89 0.27 3.88 0.15 -0.91 -5.14 113.70 104.85 2k9p s SER 107 Ca -0.12 1.16 0.12 0.00 0.70 0.00 0.00 55.95 57.81 2k9p s SER 107 Cb 0.18 1.99 -0.05 0.00 -1.71 0.00 0.00 66.02 66.43 2k9p s SER 107 CO 0.80 -0.17 -0.19 -0.94 1.20 0.00 0.00 173.24 173.94 2k9p s SER 108 N 2.70 3.47 -0.08 5.45 1.04 -1.20 -4.60 113.70 120.48 2k9p s SER 108 Ca -0.03 -1.03 -0.03 0.00 0.48 0.00 0.00 55.95 55.34 2k9p s SER 108 Cb -0.09 -0.28 0.05 0.00 0.10 0.00 0.00 66.02 65.79 2k9p s SER 108 CO -0.18 0.02 0.15 0.68 0.98 0.00 0.00 173.24 174.89 2k9p s VAL 109 N -2.55 -0.24 -2.00 5.02 -7.23 -1.26 -5.17 120.40 106.97 2k9p s VAL 109 Ca 0.29 0.34 0.29 0.00 -1.81 0.00 0.00 61.98 61.09 2k9p s VAL 109 Cb -0.05 -0.30 0.83 0.00 0.56 0.00 0.00 36.38 37.43 2k9p s VAL 109 CO 0.14 0.13 2.08 1.07 -0.31 0.00 0.00 175.10 178.21