#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 -0.54 0.00 1.61 2.20 -1.26 -5.18 114.94 111.77 2k9p s ASN 32 Ca 0.00 0.21 0.00 0.00 -0.94 0.00 0.00 52.86 52.13 2k9p s ASN 32 Cb 0.00 0.52 0.00 0.00 -2.00 0.00 0.00 41.25 39.77 2k9p s ASN 32 CO 0.00 -0.77 0.00 0.61 -2.94 0.00 0.00 177.10 174.00 2k9p n GLY 33 N 0.05 0.58 3.00 0.45 0.00 -1.26 -5.09 105.19 102.93 2k9p n GLY 33 Ca -0.16 -1.84 -0.11 0.00 0.00 0.00 0.00 46.02 43.92 2k9p n GLY 33 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2k9p s SER 34 N -2.15 0.47 -0.69 1.61 0.01 -1.26 -4.89 113.70 106.81 2k9p s SER 34 Ca 0.00 -0.48 -0.00 0.00 1.31 0.00 0.00 55.95 56.78 2k9p s SER 34 Cb 0.00 0.06 0.00 0.00 0.21 0.00 0.00 66.02 66.30 2k9p s SER 34 CO 0.00 -0.24 0.01 1.07 0.41 0.00 0.00 173.24 174.50 2k9p n THR 35 N 1.67 -0.39 -2.41 1.44 5.66 -1.26 -4.94 114.28 114.06 2k9p n THR 35 Ca -0.23 0.00 -0.33 0.00 -3.05 0.00 0.00 64.05 60.44 2k9p n THR 35 Cb 0.55 -1.14 -0.02 0.00 -1.55 0.00 0.00 70.33 68.17 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 -2.41 3.87 0.98 1.09 -1.09 -1.26 -5.04 121.20 117.35 2k9p s ILE 36 Ca 0.01 1.07 -0.13 0.00 -2.23 0.00 0.00 60.65 59.37 2k9p s ILE 36 Cb -0.01 -3.46 0.09 0.00 -1.58 0.00 0.00 42.46 37.51 2k9p s ILE 36 CO 0.01 -0.35 0.55 0.35 -1.23 0.00 0.00 174.94 174.28 2k9p n THR 37 N -1.28 0.00 0.12 2.92 -2.24 -1.26 -4.88 114.28 107.65 2k9p n THR 37 Ca 0.09 -0.18 0.01 0.00 -2.27 0.00 0.00 64.05 61.70 2k9p n THR 37 Cb 0.53 -0.73 0.07 0.00 -2.10 0.00 0.00 70.33 68.10 2k9p n THR 37 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 2k9p n PHE 38 N -3.95 0.00 -0.24 4.78 3.72 -1.26 -2.81 117.46 117.70 2k9p n PHE 38 Ca 0.07 0.00 0.18 0.00 -0.05 0.00 0.00 57.45 57.65 2k9p n PHE 38 Cb 0.54 -0.41 0.50 0.00 -0.94 0.00 0.00 39.48 39.17 2k9p n PHE 38 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 176.76 176.27 2k9p h ASP 39 N 0.00 0.43 -0.13 4.37 3.32 -1.98 -1.08 116.42 121.34 2k9p h ASP 39 Ca 0.00 0.04 -0.00 0.00 0.02 0.00 0.00 57.03 57.09 2k9p h ASP 39 Cb 0.04 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 39.55 2k9p h ASP 39 CO 0.00 0.18 0.07 -0.33 -1.72 0.00 0.00 179.24 177.44 2k9p h GLU 40 N 0.43 0.17 0.24 3.56 5.08 -1.89 0.11 114.58 122.28 2k9p h GLU 40 Ca 0.46 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.79 2k9p h GLU 40 Cb 1.12 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.33 2k9p h GLU 40 CO -0.18 0.17 -0.12 -0.07 -1.00 0.00 0.00 179.01 177.82 2k9p h LEU 41 N 0.13 -0.27 -1.24 1.33 -0.00 -1.61 -0.95 115.31 112.69 2k9p h LEU 41 Ca 0.05 -0.13 0.09 0.00 -0.00 0.00 0.00 57.88 57.88 2k9p h LEU 41 Cb 0.04 0.07 -0.06 0.00 -0.00 0.00 0.00 40.66 40.72 2k9p h LEU 41 CO -0.01 -0.03 0.55 1.56 -0.00 0.00 0.00 178.44 180.52 2k9p h GLN 42 N -0.52 0.83 -0.08 1.13 1.08 -1.19 -2.35 115.11 114.01 2k9p h GLN 42 Ca -0.03 -0.05 -0.01 0.00 -1.45 0.00 0.00 58.65 57.11 2k9p h GLN 42 Cb 0.39 -0.19 -0.00 0.00 -0.05 0.00 0.00 27.48 27.63 2k9p h GLN 42 CO 0.05 0.55 0.01 0.78 -0.95 0.00 0.00 178.83 179.27 2k9p h GLY 43 N 0.86 0.14 0.79 3.46 0.00 -0.63 -0.75 103.07 106.94 2k9p h GLY 43 Ca 0.39 -0.10 0.07 0.00 0.00 0.00 0.00 47.33 47.69 2k9p h GLY 43 CO -0.15 0.09 0.61 0.17 0.00 0.00 0.00 176.54 177.26 2k9p h LEU 44 N -0.13 0.94 0.00 3.11 8.10 -0.67 -2.07 115.31 124.59 2k9p h LEU 44 Ca 0.02 0.01 -0.11 0.00 0.11 0.00 0.00 57.88 57.92 2k9p h LEU 44 Cb 0.31 -0.19 -0.02 0.00 -0.44 0.00 0.00 40.66 40.33 2k9p h LEU 44 CO 0.00 0.59 -0.70 1.62 -4.11 0.00 0.00 178.44 175.84 2k9p h VAL 45 N 1.06 0.68 -0.12 0.15 3.04 -1.46 0.17 116.25 119.77 2k9p h VAL 45 Ca 0.41 -2.03 0.03 0.00 -1.01 0.00 0.00 66.70 64.10 2k9p h VAL 45 Cb 0.22 2.26 -0.03 0.00 -2.01 0.00 0.00 31.29 31.73 2k9p h VAL 45 CO -0.16 0.39 -0.05 -1.13 -1.01 0.00 0.00 177.57 175.61 2k9p h ASN 46 N 0.00 -0.17 0.00 3.17 -0.73 -0.40 -3.42 115.58 114.02 2k9p h ASN 46 Ca -0.04 0.04 -0.14 0.00 1.87 0.00 0.00 56.30 58.03 2k9p h ASN 46 Cb 1.39 0.10 -0.11 0.00 0.27 0.00 0.00 38.32 39.96 2k9p h ASN 46 CO 0.05 -0.07 -0.06 -1.54 -0.37 0.00 0.00 177.43 175.44 2k9p n SER 47 N -5.18 -1.43 0.10 1.15 3.41 -1.14 -5.00 113.62 105.52 2k9p n SER 47 Ca -0.04 -1.99 0.00 0.00 -0.26 0.00 0.00 58.87 56.58 2k9p n SER 47 Cb 0.11 0.96 0.00 0.00 -0.26 0.00 0.00 64.21 65.02 2k9p n SER 47 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 2k9p n THR 48 N -0.58 0.44 -0.25 6.66 -1.04 -0.60 -4.76 114.28 114.14 2k9p n THR 48 Ca -0.16 0.14 -0.07 0.00 -2.04 0.00 0.00 64.05 61.92 2k9p n THR 48 Cb 0.74 -0.92 0.05 0.00 -1.82 0.00 0.00 70.33 68.37 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 -0.25 12.58 3.04 -1.03 -2.90 116.25 128.96 2k9p h VAL 49 Ca 0.00 -0.96 -0.03 0.00 -1.01 0.00 0.00 66.70 64.70 2k9p h VAL 49 Cb 0.04 0.53 -0.01 0.00 -2.01 0.00 0.00 31.29 29.83 2k9p h VAL 49 CO 0.00 0.37 0.02 0.00 -1.01 0.00 0.00 177.57 176.94 2k9p h THR 50 N 1.06 1.15 -0.04 3.17 1.03 -1.86 -2.34 112.91 115.08 2k9p h THR 50 Ca 0.22 -0.55 -0.11 0.00 -0.01 0.00 0.00 66.41 65.96 2k9p h THR 50 Cb 0.36 0.94 -0.01 0.00 -1.07 0.00 0.00 68.15 68.37 2k9p h THR 50 CO 0.00 0.19 -0.50 -0.61 -0.01 0.00 0.00 175.52 174.59 2k9p h GLN 51 N 0.35 0.11 -0.31 0.00 5.75 -1.81 -3.24 115.11 115.97 2k9p h GLN 51 Ca 0.08 -0.06 -0.00 0.00 -0.15 0.00 0.00 58.65 58.52 2k9p h GLN 51 Cb 0.21 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 28.75 2k9p h GLN 51 CO 0.00 0.59 0.19 0.00 -2.65 0.00 0.00 178.83 176.96 2k9p h ALA 52 N 1.40 0.39 0.12 3.38 0.00 -1.39 0.09 119.26 123.26 2k9p h ALA 52 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2k9p h ALA 52 Cb 0.92 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 2k9p h ALA 52 CO 0.07 -0.11 -0.11 0.82 0.00 0.00 0.00 179.25 179.91 2k9p h ILE 53 N 0.40 0.74 0.06 0.00 5.03 -1.62 -0.57 117.51 121.55 2k9p h ILE 53 Ca 0.11 0.00 0.02 0.00 -0.12 0.00 0.00 64.86 64.87 2k9p h ILE 53 Cb -0.00 0.74 -0.03 0.00 -3.03 0.00 0.00 36.82 34.50 2k9p h ILE 53 CO -0.02 0.00 -0.19 -0.07 -0.68 0.00 0.00 178.15 177.19 2k9p h LEU 54 N -0.26 -0.53 -0.19 1.44 3.38 -1.53 -0.78 115.31 116.84 2k9p h LEU 54 Ca 0.00 0.07 0.04 0.00 0.09 0.00 0.00 57.88 58.08 2k9p h LEU 54 Cb 0.24 0.21 -0.04 0.00 0.09 0.00 0.00 40.66 41.17 2k9p h LEU 54 CO -0.03 -0.26 -0.06 0.15 0.09 0.00 0.00 178.44 178.34 2k9p h PHE 55 N -0.33 -0.13 -0.32 1.13 3.57 -0.90 -1.47 116.94 118.49 2k9p h PHE 55 Ca 0.04 0.02 0.06 0.00 3.53 0.00 0.00 57.97 61.62 2k9p h PHE 55 Cb 0.38 0.08 -0.06 0.00 2.79 0.00 0.00 35.95 39.15 2k9p h PHE 55 CO -0.21 -0.10 -0.03 0.78 -2.23 0.00 0.00 178.31 176.53 2k9p h GLY 56 N -0.02 0.29 0.74 2.40 0.00 -0.88 -0.07 103.07 105.53 2k9p h GLY 56 Ca 0.09 0.06 -0.03 0.00 0.00 0.00 0.00 47.33 47.46 2k9p h GLY 56 CO -0.20 -0.09 -0.46 -2.08 0.00 0.00 0.00 176.54 173.70 2k9p h VAL 57 N 0.06 0.00 -0.94 4.60 2.07 -0.67 0.12 116.25 121.48 2k9p h VAL 57 Ca 0.16 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.75 2k9p h VAL 57 Cb 0.23 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 29.93 2k9p h VAL 57 CO -0.29 0.00 0.60 0.08 0.02 0.00 0.00 177.57 177.97 2k9p h ARG 58 N -1.13 1.03 0.06 1.57 0.11 -1.28 -1.89 114.38 112.85 2k9p h ARG 58 Ca -0.10 -0.06 -0.00 0.00 0.10 0.00 0.00 59.98 59.92 2k9p h ARG 58 Cb 0.91 -0.23 -0.00 0.00 1.11 0.00 0.00 29.97 31.75 2k9p h ARG 58 CO 0.10 0.68 -0.04 1.03 0.10 0.00 0.00 179.97 181.84 2k9p h SER 59 N 1.06 -0.09 0.10 0.08 0.87 -0.79 0.81 113.55 115.59 2k9p h SER 59 Ca 0.42 0.01 0.02 0.00 -1.23 0.00 0.00 61.79 61.00 2k9p h SER 59 Cb 0.22 0.03 -0.03 0.00 -0.44 0.00 0.00 62.40 62.18 2k9p h SER 59 CO -0.19 -0.06 -0.21 1.23 -0.53 0.00 0.00 176.83 177.07 2k9p h GLY 60 N -0.09 -0.37 0.80 5.77 0.00 -0.31 0.27 103.07 109.14 2k9p h GLY 60 Ca -0.00 0.24 -0.01 0.00 0.00 0.00 0.00 47.33 47.56 2k9p h GLY 60 CO 0.00 -0.19 0.02 0.00 0.00 0.00 0.00 176.54 176.37 2k9p h ALA 61 N 0.42 0.11 -0.90 3.60 0.00 -1.33 -0.92 119.26 120.24 2k9p h ALA 61 Ca 0.03 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.81 2k9p h ALA 61 Cb 0.41 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.13 2k9p h ALA 61 CO -0.13 -0.26 0.57 0.00 0.00 0.00 0.00 179.25 179.44 2k9p h ALA 62 N 0.80 1.32 0.13 0.00 0.00 -0.77 -1.99 119.26 118.75 2k9p h ALA 62 Ca 0.03 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 2k9p h ALA 62 Cb 0.25 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 17.68 2k9p h ALA 62 CO 0.00 0.61 -0.06 0.00 0.00 0.00 0.00 179.25 179.80 2k9p h ALA 63 N 1.41 -0.18 -0.31 0.00 0.00 -0.34 -1.50 119.26 118.34 2k9p h ALA 63 Ca 0.33 -0.10 0.07 0.00 0.00 0.00 0.00 54.91 55.20 2k9p h ALA 63 Cb -0.11 0.07 -0.08 0.00 0.00 0.00 0.00 17.79 17.68 2k9p h ALA 63 CO -0.07 -0.53 -0.22 1.25 0.00 0.00 0.00 179.25 179.68 2k9p h LEU 64 N -0.33 -0.73 -1.05 0.00 6.46 -0.94 0.21 115.31 118.93 2k9p h LEU 64 Ca -0.02 0.14 -0.01 0.00 -0.12 0.00 0.00 57.88 57.87 2k9p h LEU 64 Cb 0.26 0.36 -0.04 0.00 -0.73 0.00 0.00 40.66 40.52 2k9p h LEU 64 CO 0.03 -0.26 0.43 0.00 -0.62 0.00 0.00 178.44 178.03 2k9p h THR 65 N -0.20 1.23 -0.32 1.05 1.03 -1.36 -2.11 112.91 112.24 2k9p h THR 65 Ca 0.16 -0.57 -0.05 0.00 -0.01 0.00 0.00 66.41 65.93 2k9p h THR 65 Cb 0.44 0.16 -0.02 0.00 -1.07 0.00 0.00 68.15 67.67 2k9p h THR 65 CO -0.42 0.26 -0.03 0.17 -0.01 0.00 0.00 175.52 175.49 2k9p h LEU 66 N 1.10 0.47 0.24 0.00 8.10 -0.31 -2.40 115.31 122.51 2k9p h LEU 66 Ca 0.28 -0.09 -0.01 0.00 0.11 0.00 0.00 57.88 58.17 2k9p h LEU 66 Cb 0.02 -0.12 0.00 0.00 -0.44 0.00 0.00 40.66 40.12 2k9p h LEU 66 CO -0.05 0.55 -0.12 0.40 -4.11 0.00 0.00 178.44 175.12 2k9p h ILE 67 N 0.47 0.67 -0.49 0.15 2.04 -0.50 -1.73 117.51 118.12 2k9p h ILE 67 Ca 0.10 -0.91 0.06 0.00 1.00 0.00 0.00 64.86 65.11 2k9p h ILE 67 Cb 0.35 1.09 -0.05 0.00 -0.74 0.00 0.00 36.82 37.47 2k9p h ILE 67 CO 0.01 0.16 0.20 -0.37 0.00 0.00 0.00 178.15 178.15 2k9p h VAL 68 N -0.88 0.86 -0.45 1.67 -1.51 -1.40 -1.22 116.25 113.32 2k9p h VAL 68 Ca -0.03 -0.13 0.00 0.00 -1.23 0.00 0.00 66.70 65.31 2k9p h VAL 68 Cb 0.51 0.44 -0.02 0.00 -2.13 0.00 0.00 31.29 30.09 2k9p h VAL 68 CO 0.05 0.07 0.30 1.62 -1.23 0.00 0.00 177.57 178.38 2k9p h VAL 69 N 0.39 1.12 -0.65 7.19 3.04 -1.52 -0.81 116.25 125.00 2k9p h VAL 69 Ca 0.23 -0.23 0.02 0.00 -1.01 0.00 0.00 66.70 65.71 2k9p h VAL 69 Cb 0.22 0.47 -0.03 0.00 -2.01 0.00 0.00 31.29 29.93 2k9p h VAL 69 CO -0.22 0.12 0.43 -0.50 -1.01 0.00 0.00 177.57 176.39 2k9p h TRP 70 N 0.61 0.79 0.38 3.17 -0.00 -0.46 0.18 115.95 120.63 2k9p h TRP 70 Ca 0.17 0.02 -0.02 0.00 -0.00 0.00 0.00 58.89 59.06 2k9p h TRP 70 Cb -0.06 -0.27 0.00 0.00 -0.00 0.00 0.00 29.16 28.84 2k9p h TRP 70 CO -0.04 0.49 -0.18 0.82 -0.00 0.00 0.00 178.44 179.52 2k9p h ILE 71 N 0.84 0.00 -0.45 1.49 5.03 -0.97 -1.86 117.51 121.60 2k9p h ILE 71 Ca 0.25 -0.43 -0.03 0.00 -0.12 0.00 0.00 64.86 64.53 2k9p h ILE 71 Cb -0.04 0.00 -0.02 0.00 -3.03 0.00 0.00 36.82 33.73 2k9p h ILE 71 CO -0.06 0.00 0.16 0.00 -0.68 0.00 0.00 178.15 177.57 2k9p h THR 72 N -0.94 1.21 0.00 -0.27 1.03 -1.06 -1.82 112.91 111.06 2k9p h THR 72 Ca -0.05 -0.67 0.00 0.00 -0.01 0.00 0.00 66.41 65.68 2k9p h THR 72 Cb 0.40 0.81 0.00 0.00 -1.07 0.00 0.00 68.15 68.29 2k9p h THR 72 CO 0.09 0.24 0.00 -0.24 -0.01 0.00 0.00 175.52 175.60 2k9p n SER 73 N -4.59 0.00 -3.95 0.00 2.88 0.62 -4.95 113.62 103.63 2k9p n SER 73 Ca 0.01 0.28 -0.41 0.00 -1.33 0.00 0.00 58.87 57.41 2k9p n SER 73 Cb 0.16 -0.42 0.02 0.00 -0.75 0.00 0.00 64.21 63.23 2k9p n SER 73 CO 0.00 0.00 0.00 -1.14 -1.23 0.00 0.00 175.04 172.67 2k9p n ARG 74 N -1.42 -0.57 -0.58 -1.46 0.63 -0.68 -4.92 116.66 107.66 2k9p n ARG 74 Ca 0.08 0.23 -0.30 0.00 -0.92 0.00 0.00 57.85 56.94 2k9p n ARG 74 Cb 0.25 -2.90 0.21 0.00 0.45 0.00 0.00 32.46 30.47 2k9p n ARG 74 CO 0.00 0.00 0.00 0.43 -2.51 0.00 0.00 177.63 175.55 2k9p n SER 75 N -2.30 -1.50 -4.44 6.15 7.64 -0.77 -4.98 113.62 113.42 2k9p n SER 75 Ca -0.12 0.00 -0.31 0.00 1.01 0.00 0.00 58.87 59.45 2k9p n SER 75 Cb 0.58 -1.24 0.19 0.00 -1.01 0.00 0.00 64.21 62.73 2k9p n SER 75 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2k9p n ARG 76 N -3.96 -1.50 -1.67 1.43 5.12 -1.26 -4.84 116.66 109.98 2k9p n ARG 76 Ca 0.05 -0.40 -0.54 0.00 -1.93 0.00 0.00 57.85 55.02 2k9p n ARG 76 Cb 0.55 -2.01 -0.06 0.00 -1.16 0.00 0.00 32.46 29.77 2k9p n ARG 76 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 2k9p n LYS 77 N -3.44 1.46 -3.46 5.56 4.76 -1.26 -4.96 118.16 116.82 2k9p n LYS 77 Ca 0.04 0.52 -0.38 0.00 -2.87 0.00 0.00 58.31 55.63 2k9p n LYS 77 Cb 0.56 -2.32 -0.06 0.00 -1.84 0.00 0.00 35.03 31.37 2k9p n LYS 77 CO 0.00 0.00 0.00 -0.08 -1.37 0.00 0.00 177.40 175.95 2k9p s THR 78 N 4.24 5.03 0.44 -0.18 -1.32 -1.26 -5.08 115.64 117.52 2k9p s THR 78 Ca 0.98 0.88 -0.24 0.00 -1.21 0.00 0.00 61.69 62.10 2k9p s THR 78 Cb -0.93 -3.74 -0.08 0.00 -1.51 0.00 0.00 72.50 66.25 2k9p s THR 78 CO 0.59 0.54 1.19 -2.16 -2.21 0.00 0.00 174.62 172.58 2k9p s PRO 79 N -0.83 3.81 0.32 7.08 0.04 -1.26 -4.94 135.00 139.23 2k9p s PRO 79 Ca 0.24 1.85 0.09 0.00 0.04 0.00 0.00 61.00 63.22 2k9p s PRO 79 Cb -0.17 -2.50 0.85 0.00 0.04 0.00 0.00 34.50 32.73 2k9p s PRO 79 CO 0.13 -0.53 1.74 -0.84 0.04 0.00 0.00 177.00 177.55 2k9p h ILE 80 N 2.01 0.58 -0.58 0.56 3.07 -1.99 -1.61 117.51 119.55 2k9p h ILE 80 Ca -0.49 -0.22 0.00 0.00 1.55 0.00 0.00 64.86 65.70 2k9p h ILE 80 Cb 1.25 -0.10 -0.03 0.00 -0.27 0.00 0.00 36.82 37.67 2k9p h ILE 80 CO 0.61 0.11 0.37 0.15 -1.05 0.00 0.00 178.15 178.34 2k9p h PHE 81 N 0.63 0.75 0.34 0.16 3.04 -1.99 0.88 116.94 120.76 2k9p h PHE 81 Ca 0.63 0.01 -0.00 0.00 3.98 0.00 0.00 57.97 62.58 2k9p h PHE 81 Cb 1.14 -0.25 -0.02 0.00 2.56 0.00 0.00 35.95 39.38 2k9p h PHE 81 CO -0.01 0.50 -0.37 0.82 -2.02 0.00 0.00 178.31 177.23 2k9p h ILE 82 N 0.79 0.25 -0.86 1.41 2.04 -1.68 -2.12 117.51 117.33 2k9p h ILE 82 Ca 0.21 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 66.06 2k9p h ILE 82 Cb -0.05 0.25 -0.04 0.00 -0.74 0.00 0.00 36.82 36.23 2k9p h ILE 82 CO -0.04 0.00 0.51 0.40 0.00 0.00 0.00 178.15 179.02 2k9p h ILE 83 N -0.75 1.24 0.20 -0.67 1.08 -1.21 -0.07 117.51 117.33 2k9p h ILE 83 Ca -0.02 -0.54 0.01 0.00 -0.39 0.00 0.00 64.86 63.92 2k9p h ILE 83 Cb 0.68 0.04 -0.02 0.00 -3.07 0.00 0.00 36.82 34.44 2k9p h ILE 83 CO -0.08 0.26 -0.25 -1.13 -0.69 0.00 0.00 178.15 176.26 2k9p h ASN 84 N 1.19 -0.68 -0.78 1.72 -0.00 -0.75 0.16 115.58 116.43 2k9p h ASN 84 Ca 0.31 0.07 0.02 0.00 -0.00 0.00 0.00 56.30 56.70 2k9p h ASN 84 Cb -0.04 0.25 -0.04 0.00 -0.00 0.00 0.00 38.32 38.49 2k9p h ASN 84 CO -0.06 -0.35 0.51 1.56 -0.00 0.00 0.00 177.43 179.09 2k9p h GLN 85 N -0.50 1.00 0.08 6.67 4.20 -1.05 -1.94 115.11 123.56 2k9p h GLN 85 Ca 0.01 -0.06 -0.00 0.00 0.06 0.00 0.00 58.65 58.66 2k9p h GLN 85 Cb 0.49 -0.22 -0.00 0.00 0.30 0.00 0.00 27.48 28.04 2k9p h GLN 85 CO -0.09 0.66 -0.08 0.28 -0.67 0.00 0.00 178.83 178.93 2k9p h VAL 86 N 1.03 0.00 -0.34 -0.54 2.07 -0.63 -1.22 116.25 116.61 2k9p h VAL 86 Ca 0.30 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.89 2k9p h VAL 86 Cb -0.07 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 29.64 2k9p h VAL 86 CO -0.08 0.00 -0.09 0.28 0.02 0.00 0.00 177.57 177.70 2k9p h SER 87 N -0.16 -0.32 -0.64 0.57 0.02 -0.95 -1.23 113.55 110.85 2k9p h SER 87 Ca -0.01 0.10 0.13 0.00 -0.84 0.00 0.00 61.79 61.17 2k9p h SER 87 Cb 0.14 0.21 -0.12 0.00 0.14 0.00 0.00 62.40 62.77 2k9p h SER 87 CO -0.01 -0.11 -0.15 -0.07 -1.14 0.00 0.00 176.83 175.35 2k9p h LEU 88 N -0.00 -0.58 -0.23 5.07 3.38 -1.37 -1.59 115.31 119.99 2k9p h LEU 88 Ca 0.17 0.19 0.06 0.00 0.09 0.00 0.00 57.88 58.38 2k9p h LEU 88 Cb 0.25 0.39 -0.06 0.00 0.09 0.00 0.00 40.66 41.33 2k9p h LEU 88 CO -0.35 -0.21 -0.16 -0.26 0.09 0.00 0.00 178.44 177.55 2k9p h PHE 89 N 0.00 -0.41 -0.63 1.13 0.04 0.00 -1.16 116.94 115.91 2k9p h PHE 89 Ca 0.31 0.03 0.07 0.00 2.80 0.00 0.00 57.97 61.17 2k9p h PHE 89 Cb 0.47 0.22 -0.06 0.00 2.20 0.00 0.00 35.95 38.78 2k9p h PHE 89 CO -0.51 -0.24 0.32 -0.07 -0.60 0.00 0.00 178.31 177.22 2k9p h LEU 90 N -0.16 0.45 -0.13 1.54 -0.00 -0.89 0.03 115.31 116.15 2k9p h LEU 90 Ca 0.13 0.04 -0.00 0.00 -0.00 0.00 0.00 57.88 58.05 2k9p h LEU 90 Cb 0.35 -0.04 -0.01 0.00 -0.00 0.00 0.00 40.66 40.96 2k9p h LEU 90 CO -0.32 0.29 0.07 0.40 -0.00 0.00 0.00 178.44 178.88 2k9p h ILE 91 N 0.59 1.10 -0.77 1.22 5.03 -1.18 -1.66 117.51 121.85 2k9p h ILE 91 Ca 0.29 -0.28 0.09 0.00 -0.12 0.00 0.00 64.86 64.84 2k9p h ILE 91 Cb 0.23 1.05 -0.07 0.00 -3.03 0.00 0.00 36.82 35.00 2k9p h ILE 91 CO -0.20 0.09 0.42 0.40 -0.68 0.00 0.00 178.15 178.18 2k9p h ILE 92 N 0.11 0.89 0.75 -0.67 2.04 -0.44 0.17 117.51 120.36 2k9p h ILE 92 Ca 0.05 -0.25 -0.03 0.00 1.00 0.00 0.00 64.86 65.63 2k9p h ILE 92 Cb 0.09 0.11 0.00 0.00 -0.74 0.00 0.00 36.82 36.28 2k9p h ILE 92 CO -0.01 0.13 -0.40 -0.07 0.00 0.00 0.00 178.15 177.80 2k9p h LEU 93 N 0.72 -0.98 -0.57 1.44 -0.00 -0.88 0.15 115.31 115.19 2k9p h LEU 93 Ca 0.37 0.04 0.05 0.00 -0.00 0.00 0.00 57.88 58.35 2k9p h LEU 93 Cb 0.35 0.27 -0.05 0.00 -0.00 0.00 0.00 40.66 41.23 2k9p h LEU 93 CO -0.25 -0.65 0.30 -0.74 -0.00 0.00 0.00 178.44 177.10 2k9p h HIS 94 N -1.06 0.55 0.55 1.13 2.76 -0.83 0.14 115.15 118.39 2k9p h HIS 94 Ca -0.10 0.02 -0.02 0.00 -2.20 0.00 0.00 60.37 58.07 2k9p h HIS 94 Cb 0.83 -0.16 -0.00 0.00 1.55 0.00 0.00 27.41 29.63 2k9p h HIS 94 CO -0.05 0.27 -0.31 1.03 -1.30 0.00 0.00 177.93 177.56 2k9p h SER 95 N 0.57 -0.77 -0.49 3.26 0.87 -0.63 0.60 113.55 116.96 2k9p h SER 95 Ca 0.25 0.04 -0.01 0.00 -1.23 0.00 0.00 61.79 60.84 2k9p h SER 95 Cb 0.15 0.22 -0.02 0.00 -0.44 0.00 0.00 62.40 62.30 2k9p h SER 95 CO -0.17 -0.50 0.28 0.00 -0.53 0.00 0.00 176.83 175.91 2k9p h ALA 96 N -0.40 0.63 0.85 6.23 0.00 -0.80 0.29 119.26 126.06 2k9p h ALA 96 Ca -0.07 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.72 2k9p h ALA 96 Cb 0.65 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.24 2k9p h ALA 96 CO 0.09 0.14 -0.46 -0.07 0.00 0.00 0.00 179.25 178.95 2k9p h LEU 97 N 0.66 -1.12 -0.58 0.00 3.38 -0.93 -1.92 115.31 114.80 2k9p h LEU 97 Ca 0.18 0.05 0.03 0.00 0.09 0.00 0.00 57.88 58.22 2k9p h LEU 97 Cb 0.03 0.31 -0.04 0.00 0.09 0.00 0.00 40.66 41.05 2k9p h LEU 97 CO -0.03 -0.74 0.35 0.22 0.09 0.00 0.00 178.44 178.33 2k9p h TYR 98 N -1.20 0.66 0.02 1.13 5.03 -0.84 0.11 116.97 121.87 2k9p h TYR 98 Ca -0.12 0.02 0.03 0.00 2.58 0.00 0.00 58.73 61.24 2k9p h TYR 98 Cb 0.94 -0.21 -0.05 0.00 1.55 0.00 0.00 36.73 38.96 2k9p h TYR 98 CO -0.03 0.37 -0.36 0.35 -1.32 0.00 0.00 178.16 177.17 2k9p h PHE 99 N 0.69 -0.99 -0.43 -3.82 3.57 -0.95 0.10 116.94 115.11 2k9p h PHE 99 Ca 0.24 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.77 2k9p h PHE 99 Cb 0.03 0.43 -0.02 0.00 2.79 0.00 0.00 35.95 39.19 2k9p h PHE 99 CO -0.06 -0.45 0.26 0.87 -2.23 0.00 0.00 178.31 176.70 2k9p h LYS 100 N -0.53 0.59 -0.85 1.11 1.57 -1.07 -1.74 116.57 115.65 2k9p h LYS 100 Ca 0.05 -0.05 0.11 0.00 -1.87 0.00 0.00 60.65 58.89 2k9p h LYS 100 Cb 0.60 -0.12 -0.06 0.00 0.08 0.00 0.00 32.23 32.73 2k9p h LYS 100 CO -0.27 0.43 0.55 -0.92 -0.57 0.00 0.00 179.45 178.67 2k9p h TYR 101 N 0.58 0.84 0.39 -1.35 3.20 -0.32 0.20 116.97 120.51 2k9p h TYR 101 Ca 0.16 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 62.03 2k9p h TYR 101 Cb -0.00 -0.27 0.00 0.00 1.54 0.00 0.00 36.73 38.00 2k9p h TYR 101 CO -0.03 0.38 -0.19 -0.07 -1.64 0.00 0.00 178.16 176.60 2k9p h LEU 102 N 0.77 -0.45 -1.52 2.82 3.38 -0.76 -3.31 115.31 116.23 2k9p h LEU 102 Ca 0.40 -0.13 0.05 0.00 0.09 0.00 0.00 57.88 58.29 2k9p h LEU 102 Cb 0.50 0.12 -0.03 0.00 0.09 0.00 0.00 40.66 41.33 2k9p h LEU 102 CO -0.17 -0.04 0.38 0.17 0.09 0.00 0.00 178.44 178.87 2k9p h LEU 103 N -0.94 0.52 -2.31 1.67 8.10 -0.71 -1.09 115.31 120.54 2k9p h LEU 103 Ca -0.05 -0.00 0.04 0.00 0.11 0.00 0.00 57.88 57.97 2k9p h LEU 103 Cb 0.55 -0.12 -0.01 0.00 -0.44 0.00 0.00 40.66 40.64 2k9p h LEU 103 CO 0.09 0.35 0.19 0.28 -4.11 0.00 0.00 178.44 175.24 2k9p h SER 104 N 0.60 0.00 0.00 0.17 0.02 -0.72 -0.66 113.55 112.96 2k9p h SER 104 Ca 0.24 0.00 -0.26 0.00 -0.84 0.00 0.00 61.79 60.93 2k9p h SER 104 Cb 0.19 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 62.68 2k9p h SER 104 CO -0.07 0.00 -1.99 -3.20 -1.14 0.00 0.00 176.83 170.43 2k9p n ASN 105 N -3.55 2.02 -0.06 3.07 5.15 -0.67 -4.57 115.26 116.65 2k9p n ASN 105 Ca 0.00 -0.04 0.02 0.00 -0.60 0.00 0.00 54.58 53.96 2k9p n ASN 105 Cb 0.29 0.33 0.34 0.00 -0.53 0.00 0.00 39.78 40.22 2k9p n ASN 105 CO 0.00 0.00 0.00 1.88 1.40 0.00 0.00 177.26 180.54 2k9p h TYR 106 N 0.00 0.64 -0.82 1.20 0.05 -0.84 -3.36 116.97 113.85 2k9p h TYR 106 Ca -0.39 -0.01 -0.52 0.00 0.05 0.00 0.00 58.73 57.86 2k9p h TYR 106 Cb 1.76 -0.21 -0.07 0.00 1.01 0.00 0.00 36.73 39.22 2k9p h TYR 106 CO 0.01 0.46 1.53 0.45 -1.05 0.00 0.00 178.16 179.56 2k9p s SER 107 N -6.62 6.07 -0.53 3.88 0.15 -0.29 -4.87 113.70 111.49 2k9p s SER 107 Ca -0.09 -1.72 0.04 0.00 0.70 0.00 0.00 55.95 54.88 2k9p s SER 107 Cb 0.17 -2.58 0.16 0.00 -1.71 0.00 0.00 66.02 62.06 2k9p s SER 107 CO 0.75 -1.94 0.35 -0.44 1.20 0.00 0.00 173.24 173.17 2k9p s SER 108 N 5.55 3.57 -0.29 5.45 0.01 -1.26 -4.98 113.70 121.76 2k9p s SER 108 Ca 0.58 -3.19 -0.15 0.00 1.31 0.00 0.00 55.95 54.49 2k9p s SER 108 Cb 0.00 -1.14 0.13 0.00 0.21 0.00 0.00 66.02 65.22 2k9p s SER 108 CO 0.03 -0.18 0.87 0.54 0.41 0.00 0.00 173.24 174.91 2k9p s VAL 109 N -0.40 -0.21 -2.21 3.43 0.11 -1.26 -5.24 120.40 114.62 2k9p s VAL 109 Ca 0.24 0.00 0.18 0.00 -2.93 0.00 0.00 61.98 59.46 2k9p s VAL 109 Cb -0.11 -1.00 0.14 0.00 -1.53 0.00 0.00 36.38 33.88 2k9p s VAL 109 CO -0.11 0.00 1.06 0.41 -3.33 0.00 0.00 175.10 173.13