#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 0.83 0.88 1.61 0.01 -1.26 -5.17 114.94 111.84 2k9p s ASN 32 Ca 0.00 -1.48 -0.10 0.00 -0.71 0.00 0.00 52.86 50.57 2k9p s ASN 32 Cb 0.00 0.37 0.12 0.00 0.41 0.00 0.00 41.25 42.16 2k9p s ASN 32 CO 0.00 -0.86 1.12 -0.83 -1.51 0.00 0.00 177.10 175.01 2k9p s GLY 33 N -3.26 1.67 -1.08 0.66 0.00 -1.26 -4.98 107.32 99.07 2k9p s GLY 33 Ca 0.38 0.39 -0.06 0.00 0.00 0.00 0.00 44.72 45.43 2k9p s GLY 33 CO 0.16 0.81 1.26 1.44 0.00 0.00 0.00 173.10 176.76 2k9p n SER 34 N -4.02 5.83 -2.23 1.64 7.64 -1.26 -4.71 113.62 116.51 2k9p n SER 34 Ca 0.10 -3.22 0.02 0.00 1.01 0.00 0.00 58.87 56.78 2k9p n SER 34 Cb 0.53 -1.30 0.04 0.00 -1.01 0.00 0.00 64.21 62.47 2k9p n SER 34 CO 0.00 0.00 0.00 1.07 -3.01 0.00 0.00 175.04 173.10 2k9p n THR 35 N 2.01 0.72 -3.92 0.44 5.66 -1.26 -5.10 114.28 112.83 2k9p n THR 35 Ca 0.25 -2.08 -0.26 0.00 -3.05 0.00 0.00 64.05 58.91 2k9p n THR 35 Cb 0.36 1.15 -0.03 0.00 -1.55 0.00 0.00 70.33 70.26 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 -2.12 5.31 1.33 1.09 1.09 -1.26 -5.12 121.20 121.52 2k9p s ILE 36 Ca 0.30 -0.66 -0.19 0.00 -1.10 0.00 0.00 60.65 59.00 2k9p s ILE 36 Cb 0.35 -3.75 0.34 0.00 -1.06 0.00 0.00 42.46 38.34 2k9p s ILE 36 CO -0.10 -0.11 0.97 -0.89 -0.10 0.00 0.00 174.94 174.71 2k9p s THR 37 N -1.77 1.49 -0.41 2.92 2.01 -1.26 -4.94 115.64 113.69 2k9p s THR 37 Ca 0.35 0.00 0.24 0.00 0.31 0.00 0.00 61.69 62.59 2k9p s THR 37 Cb -0.11 -2.10 0.25 0.00 0.01 0.00 0.00 72.50 70.55 2k9p s THR 37 CO 0.29 0.00 1.73 2.19 -0.69 0.00 0.00 174.62 178.13 2k9p h PHE 38 N -3.12 0.00 -0.70 4.92 -5.15 -2.02 -3.28 116.94 107.59 2k9p h PHE 38 Ca -0.50 0.00 0.05 0.00 -0.20 0.00 0.00 57.97 57.32 2k9p h PHE 38 Cb 1.34 0.00 -0.05 0.00 0.22 0.00 0.00 35.95 37.46 2k9p h PHE 38 CO -2.02 0.00 0.42 -0.44 -2.00 0.00 0.00 178.31 174.27 2k9p h ASP 39 N 0.00 0.66 -0.80 -0.68 3.32 -2.00 -1.19 116.42 115.72 2k9p h ASP 39 Ca 0.00 0.02 0.13 0.00 0.02 0.00 0.00 57.03 57.20 2k9p h ASP 39 Cb 0.34 -0.12 -0.09 0.00 0.22 0.00 0.00 39.33 39.68 2k9p h ASP 39 CO 0.00 0.44 0.40 1.05 -1.72 0.00 0.00 179.24 179.41 2k9p h GLU 40 N 0.79 0.58 -0.25 3.56 4.11 -1.94 -1.82 114.58 119.61 2k9p h GLU 40 Ca 0.30 -0.04 -0.01 0.00 0.07 0.00 0.00 59.36 59.68 2k9p h GLU 40 Cb 0.11 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.22 2k9p h GLU 40 CO -0.15 0.39 0.11 -0.07 0.07 0.00 0.00 179.01 179.36 2k9p h LEU 41 N 0.60 0.33 0.74 3.06 3.38 -1.44 0.25 115.31 122.23 2k9p h LEU 41 Ca 0.43 -0.14 -0.03 0.00 0.09 0.00 0.00 57.88 58.23 2k9p h LEU 41 Cb 0.57 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 41.23 2k9p h LEU 41 CO -0.34 0.38 -0.46 1.56 0.09 0.00 0.00 178.44 179.66 2k9p h GLN 42 N 0.26 -1.09 -0.19 1.13 1.08 -1.17 -1.80 115.11 113.33 2k9p h GLN 42 Ca 0.08 0.07 0.00 0.00 -1.45 0.00 0.00 58.65 57.36 2k9p h GLN 42 Cb 0.14 0.25 -0.01 0.00 -0.05 0.00 0.00 27.48 27.81 2k9p h GLN 42 CO -0.01 -0.73 0.13 0.78 -0.95 0.00 0.00 178.83 178.05 2k9p h GLY 43 N -1.13 0.27 0.33 3.46 0.00 -1.23 -0.67 103.07 104.10 2k9p h GLY 43 Ca -0.10 -0.10 -0.02 0.00 0.00 0.00 0.00 47.33 47.12 2k9p h GLY 43 CO 0.09 0.10 -0.16 1.41 0.00 0.00 0.00 176.54 177.98 2k9p h LEU 44 N 0.26 -0.38 -1.69 3.11 3.38 -0.34 -2.61 115.31 117.04 2k9p h LEU 44 Ca 0.07 0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.02 2k9p h LEU 44 Cb -0.03 0.10 -0.00 0.00 0.09 0.00 0.00 40.66 40.81 2k9p h LEU 44 CO -0.01 -0.25 -0.16 -0.37 0.09 0.00 0.00 178.44 177.73 2k9p h VAL 45 N -0.48 0.61 0.53 1.22 -1.51 -1.29 0.98 116.25 116.31 2k9p h VAL 45 Ca -0.05 -0.72 -0.02 0.00 -1.23 0.00 0.00 66.70 64.69 2k9p h VAL 45 Cb 0.34 1.46 -0.00 0.00 -2.13 0.00 0.00 31.29 30.96 2k9p h VAL 45 CO 0.07 0.16 -0.34 -1.13 -1.23 0.00 0.00 177.57 175.11 2k9p h ASN 46 N 0.00 -0.86 -0.20 4.19 -0.00 -1.14 -3.41 115.58 114.16 2k9p h ASN 46 Ca -0.00 0.05 -0.20 0.00 -0.00 0.00 0.00 56.30 56.15 2k9p h ASN 46 Cb 0.45 0.25 -0.27 0.00 -0.00 0.00 0.00 38.32 38.75 2k9p h ASN 46 CO 0.02 -0.51 -0.67 -1.54 -0.00 0.00 0.00 177.43 174.73 2k9p n SER 47 N -4.48 -0.04 0.01 1.15 3.41 -0.99 -4.85 113.62 107.83 2k9p n SER 47 Ca -0.10 -2.13 0.00 0.00 -0.26 0.00 0.00 58.87 56.38 2k9p n SER 47 Cb 0.34 0.14 0.00 0.00 -0.26 0.00 0.00 64.21 64.43 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 -1.11 0.04 -0.05 6.66 -1.04 0.21 -4.80 114.28 114.19 2k9p n THR 48 Ca -0.06 0.01 -0.14 0.00 -2.04 0.00 0.00 64.05 61.83 2k9p n THR 48 Cb 0.84 -0.91 -0.12 0.00 -1.82 0.00 0.00 70.33 68.32 2k9p n THR 48 CO 0.00 0.00 0.00 0.58 -0.64 0.00 0.00 175.07 175.01 2k9p h VAL 49 N 0.00 1.63 -0.97 12.58 2.07 -1.49 -3.30 116.25 126.77 2k9p h VAL 49 Ca 0.00 -1.85 0.22 0.00 0.82 0.00 0.00 66.70 65.89 2k9p h VAL 49 Cb 0.38 2.89 -0.12 0.00 -1.52 0.00 0.00 31.29 32.92 2k9p h VAL 49 CO 0.00 0.48 0.55 0.00 0.02 0.00 0.00 177.57 178.62 2k9p h THR 50 N -0.79 0.59 -0.38 2.57 1.03 -1.79 0.14 112.91 114.27 2k9p h THR 50 Ca -0.00 -0.21 -0.05 0.00 -0.01 0.00 0.00 66.41 66.14 2k9p h THR 50 Cb 0.79 -0.07 -0.02 0.00 -1.07 0.00 0.00 68.15 67.78 2k9p h THR 50 CO 0.00 0.11 0.02 1.56 -0.01 0.00 0.00 175.52 177.20 2k9p h GLN 51 N 0.60 0.59 -0.62 0.00 4.20 -1.87 -3.02 115.11 114.99 2k9p h GLN 51 Ca 0.60 -0.13 -0.00 0.00 0.06 0.00 0.00 58.65 59.17 2k9p h GLN 51 Cb 1.06 -0.09 -0.03 0.00 0.30 0.00 0.00 27.48 28.73 2k9p h GLN 51 CO -0.45 0.61 0.37 0.00 -0.67 0.00 0.00 178.83 178.68 2k9p h ALA 52 N 1.45 0.79 0.26 3.87 0.00 -0.80 0.13 119.26 124.97 2k9p h ALA 52 Ca 0.12 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 2k9p h ALA 52 Cb 0.34 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.88 2k9p h ALA 52 CO 0.01 0.27 -0.12 0.82 0.00 0.00 0.00 179.25 180.23 2k9p h ILE 53 N 0.84 0.76 0.23 0.00 5.03 -1.47 -0.33 117.51 122.58 2k9p h ILE 53 Ca 0.22 -0.10 -0.01 0.00 -0.12 0.00 0.00 64.86 64.85 2k9p h ILE 53 Cb -0.01 0.82 0.00 0.00 -3.03 0.00 0.00 36.82 34.60 2k9p h ILE 53 CO -0.04 0.02 -0.11 -0.07 -0.68 0.00 0.00 178.15 177.27 2k9p h LEU 54 N -0.40 -0.26 0.19 1.44 3.38 -1.38 0.29 115.31 118.58 2k9p h LEU 54 Ca -0.04 -0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.95 2k9p h LEU 54 Cb 0.30 0.07 -0.03 0.00 0.09 0.00 0.00 40.66 41.08 2k9p h LEU 54 CO 0.06 -0.17 -0.33 0.15 0.09 0.00 0.00 178.44 178.24 2k9p h PHE 55 N -0.32 -0.89 -0.95 1.13 3.04 -0.77 -1.69 116.94 116.49 2k9p h PHE 55 Ca -0.03 0.02 0.05 0.00 3.98 0.00 0.00 57.97 61.98 2k9p h PHE 55 Cb 0.25 0.37 -0.06 0.00 2.56 0.00 0.00 35.95 39.07 2k9p h PHE 55 CO -0.06 -0.45 0.62 0.78 -2.02 0.00 0.00 178.31 177.18 2k9p h GLY 56 N -0.60 1.39 0.55 2.40 0.00 -0.95 0.12 103.07 105.99 2k9p h GLY 56 Ca 0.01 -0.46 -0.02 0.00 0.00 0.00 0.00 47.33 46.87 2k9p h GLY 56 CO -0.15 0.36 -0.37 -2.08 0.00 0.00 0.00 176.54 174.31 2k9p h VAL 57 N 1.14 0.00 0.20 4.60 2.07 -0.64 0.07 116.25 123.69 2k9p h VAL 57 Ca 0.39 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.90 2k9p h VAL 57 Cb 0.09 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 29.87 2k9p h VAL 57 CO -0.14 0.00 -0.10 0.03 0.02 0.00 0.00 177.57 177.39 2k9p h ARG 58 N -0.87 -0.26 -0.78 1.57 3.08 -1.08 -1.74 114.38 114.30 2k9p h ARG 58 Ca -0.07 0.02 0.03 0.00 0.07 0.00 0.00 59.98 60.02 2k9p h ARG 58 Cb 0.70 0.06 -0.04 0.00 0.08 0.00 0.00 29.97 30.77 2k9p h ARG 58 CO 0.06 -0.01 0.52 0.77 -1.07 0.00 0.00 179.97 180.23 2k9p h SER 59 N -0.48 0.84 0.66 7.04 0.02 -1.08 0.05 113.55 120.58 2k9p h SER 59 Ca -0.03 -0.01 -0.03 0.00 -0.84 0.00 0.00 61.79 60.88 2k9p h SER 59 Cb 0.37 -0.20 0.01 0.00 0.14 0.00 0.00 62.40 62.72 2k9p h SER 59 CO 0.05 0.58 -0.32 1.23 -1.14 0.00 0.00 176.83 177.23 2k9p h GLY 60 N 0.97 -0.92 0.64 -3.77 0.00 -0.84 0.12 103.07 99.28 2k9p h GLY 60 Ca 0.31 0.34 0.09 0.00 0.00 0.00 0.00 47.33 48.07 2k9p h GLY 60 CO -0.09 -0.34 0.64 0.00 0.00 0.00 0.00 176.54 176.76 2k9p h ALA 61 N -0.91 1.46 -0.40 3.60 0.00 -1.22 -0.72 119.26 121.07 2k9p h ALA 61 Ca -0.09 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.82 2k9p h ALA 61 Cb 0.72 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 2k9p h ALA 61 CO 0.15 0.35 0.26 0.00 0.00 0.00 0.00 179.25 180.01 2k9p h ALA 62 N 1.49 0.51 -0.38 0.00 0.00 -0.92 -1.39 119.26 118.57 2k9p h ALA 62 Ca 0.46 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.33 2k9p h ALA 62 Cb 0.30 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 2k9p h ALA 62 CO -0.21 -0.04 0.20 0.00 0.00 0.00 0.00 179.25 179.21 2k9p h ALA 63 N 1.15 0.49 0.01 0.00 0.00 -0.36 -1.64 119.26 118.91 2k9p h ALA 63 Ca 0.15 -0.09 0.03 0.00 0.00 0.00 0.00 54.91 55.00 2k9p h ALA 63 Cb -0.06 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.54 2k9p h ALA 63 CO -0.04 0.03 -0.25 1.25 0.00 0.00 0.00 179.25 180.24 2k9p h LEU 64 N 0.49 -0.75 -1.13 0.00 6.46 -0.94 -0.54 115.31 118.91 2k9p h LEU 64 Ca 0.13 0.10 -0.02 0.00 -0.12 0.00 0.00 57.88 57.97 2k9p h LEU 64 Cb 0.07 0.30 -0.03 0.00 -0.73 0.00 0.00 40.66 40.27 2k9p h LEU 64 CO -0.02 -0.32 0.31 0.00 -0.62 0.00 0.00 178.44 177.79 2k9p h THR 65 N -0.39 1.21 -0.71 1.05 1.03 -1.21 -2.16 112.91 111.73 2k9p h THR 65 Ca 0.06 -0.59 -0.04 0.00 -0.01 0.00 0.00 66.41 65.83 2k9p h THR 65 Cb 0.48 0.38 -0.03 0.00 -1.07 0.00 0.00 68.15 67.91 2k9p h THR 65 CO -0.22 0.25 0.28 0.17 -0.01 0.00 0.00 175.52 175.99 2k9p h LEU 66 N 0.91 0.97 0.40 0.00 8.10 -0.86 -0.83 115.31 124.01 2k9p h LEU 66 Ca 0.23 -0.17 -0.02 0.00 0.11 0.00 0.00 57.88 58.02 2k9p h LEU 66 Cb 0.10 -0.25 0.00 0.00 -0.44 0.00 0.00 40.66 40.07 2k9p h LEU 66 CO -0.03 0.88 -0.19 0.40 -4.11 0.00 0.00 178.44 175.39 2k9p h ILE 67 N 1.01 0.48 -0.13 0.15 2.04 -0.58 0.05 117.51 120.53 2k9p h ILE 67 Ca 0.24 -0.57 0.04 0.00 1.00 0.00 0.00 64.86 65.57 2k9p h ILE 67 Cb 0.21 0.71 -0.04 0.00 -0.74 0.00 0.00 36.82 36.95 2k9p h ILE 67 CO -0.02 0.09 -0.13 1.62 0.00 0.00 0.00 178.15 179.70 2k9p h VAL 68 N -0.92 0.64 -0.94 1.67 3.04 -1.45 -1.35 116.25 116.95 2k9p h VAL 68 Ca -0.05 0.00 0.01 0.00 -1.01 0.00 0.00 66.70 65.65 2k9p h VAL 68 Cb 0.55 0.64 -0.05 0.00 -2.01 0.00 0.00 31.29 30.42 2k9p h VAL 68 CO 0.09 0.00 0.62 1.62 -1.01 0.00 0.00 177.57 178.89 2k9p h VAL 69 N -0.16 1.23 -0.85 1.51 3.04 -1.19 -1.36 116.25 118.47 2k9p h VAL 69 Ca 0.09 -0.43 -0.03 0.00 -1.01 0.00 0.00 66.70 65.32 2k9p h VAL 69 Cb 0.29 -0.14 -0.04 0.00 -2.01 0.00 0.00 31.29 29.39 2k9p h VAL 69 CO -0.23 0.23 0.42 -0.25 -1.01 0.00 0.00 177.57 176.74 2k9p h TRP 70 N 1.26 1.21 0.51 3.17 7.01 -0.43 0.81 115.95 129.49 2k9p h TRP 70 Ca 0.35 -0.05 -0.03 0.00 2.11 0.00 0.00 58.89 61.27 2k9p h TRP 70 Cb -0.13 -0.38 0.01 0.00 -2.10 0.00 0.00 29.16 26.56 2k9p h TRP 70 CO -0.01 0.86 -0.25 0.82 -2.79 0.00 0.00 178.44 177.08 2k9p h ILE 71 N 1.21 0.00 -0.26 2.65 5.03 -0.82 -0.83 117.51 124.49 2k9p h ILE 71 Ca 0.29 -0.24 -0.01 0.00 -0.12 0.00 0.00 64.86 64.79 2k9p h ILE 71 Cb 0.09 0.00 -0.01 0.00 -3.03 0.00 0.00 36.82 33.87 2k9p h ILE 71 CO -0.04 0.00 0.14 0.00 -0.68 0.00 0.00 178.15 177.57 2k9p h THR 72 N -0.92 1.13 0.00 -0.27 1.03 -1.24 -2.13 112.91 110.50 2k9p h THR 72 Ca -0.07 -0.36 0.00 0.00 -0.01 0.00 0.00 66.41 65.97 2k9p h THR 72 Cb 0.53 0.88 0.00 0.00 -1.07 0.00 0.00 68.15 68.49 2k9p h THR 72 CO 0.12 0.13 0.00 -0.24 -0.01 0.00 0.00 175.52 175.52 2k9p n SER 73 N -4.83 0.56 -3.73 0.00 2.88 0.27 -4.95 113.62 103.82 2k9p n SER 73 Ca -0.02 0.59 -0.33 0.00 -1.33 0.00 0.00 58.87 57.78 2k9p n SER 73 Cb 0.08 -0.72 0.04 0.00 -0.75 0.00 0.00 64.21 62.86 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 -2.06 -1.22 -1.70 -1.46 3.00 -0.41 -4.89 116.66 107.92 2k9p n ARG 74 Ca 0.04 0.41 -0.41 0.00 -0.00 0.00 0.00 57.85 57.90 2k9p n ARG 74 Cb 0.32 -3.97 0.01 0.00 0.00 0.00 0.00 32.46 28.81 2k9p n ARG 74 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 2k9p n SER 75 N -2.63 2.55 -0.00 6.15 2.88 -0.63 -4.92 113.62 117.01 2k9p n SER 75 Ca -0.10 1.12 -0.01 0.00 -1.33 0.00 0.00 58.87 58.55 2k9p n SER 75 Cb 0.59 -1.49 -0.01 0.00 -0.75 0.00 0.00 64.21 62.55 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 2.15 -0.03 -4.16 -1.46 -0.00 -1.93 -3.45 114.38 105.50 2k9p h ARG 76 Ca -0.47 0.00 -0.14 0.00 -0.50 0.00 0.00 59.98 58.87 2k9p h ARG 76 Cb 1.29 0.01 -0.14 0.00 0.00 0.00 0.00 29.97 31.13 2k9p h ARG 76 CO 0.60 -0.02 -0.49 0.15 0.00 0.00 0.00 179.97 180.21 2k9p s LYS 77 N -3.15 1.02 -0.01 0.04 1.02 -1.26 -5.18 119.74 112.22 2k9p s LYS 77 Ca -0.01 -1.30 0.04 0.00 0.02 0.00 0.00 55.97 54.73 2k9p s LYS 77 Cb 0.00 0.31 -0.01 0.00 -0.52 0.00 0.00 37.83 37.61 2k9p s LYS 77 CO 0.03 -0.33 -0.14 -0.08 -0.92 0.00 0.00 175.35 173.91 2k9p s THR 78 N -4.00 1.13 0.45 2.17 -1.32 -1.26 -5.14 115.64 107.67 2k9p s THR 78 Ca 0.20 -0.61 -0.24 0.00 -1.21 0.00 0.00 61.69 59.84 2k9p s THR 78 Cb 0.06 -0.94 -0.07 0.00 -1.51 0.00 0.00 72.50 70.03 2k9p s THR 78 CO 0.00 0.32 1.21 -2.16 -2.21 0.00 0.00 174.62 171.78 2k9p s PRO 79 N -0.32 3.76 0.30 7.08 0.04 -1.26 -4.92 135.00 139.68 2k9p s PRO 79 Ca 0.05 1.89 0.06 0.00 0.04 0.00 0.00 61.00 63.04 2k9p s PRO 79 Cb -0.06 -2.48 0.78 0.00 0.04 0.00 0.00 34.50 32.78 2k9p s PRO 79 CO -0.00 -0.58 1.73 -0.84 0.04 0.00 0.00 177.00 177.34 2k9p h ILE 80 N 1.97 0.56 -0.79 0.56 3.07 -2.00 -1.56 117.51 119.32 2k9p h ILE 80 Ca -0.49 -0.19 0.01 0.00 1.55 0.00 0.00 64.86 65.73 2k9p h ILE 80 Cb 1.25 -0.04 -0.04 0.00 -0.27 0.00 0.00 36.82 37.72 2k9p h ILE 80 CO 0.60 0.10 0.51 0.15 -1.05 0.00 0.00 178.15 178.47 2k9p h PHE 81 N 0.56 1.00 0.43 0.16 3.57 -1.99 0.14 116.94 120.82 2k9p h PHE 81 Ca 0.59 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 62.09 2k9p h PHE 81 Cb 1.07 -0.34 -0.00 0.00 2.79 0.00 0.00 35.95 39.47 2k9p h PHE 81 CO -0.05 0.64 -0.26 0.82 -2.23 0.00 0.00 178.31 177.22 2k9p h ILE 82 N 1.07 0.45 -0.31 1.41 2.04 -1.68 -2.07 117.51 118.43 2k9p h ILE 82 Ca 0.29 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 66.10 2k9p h ILE 82 Cb -0.11 0.45 -0.02 0.00 -0.74 0.00 0.00 36.82 36.41 2k9p h ILE 82 CO -0.06 0.00 -0.01 0.40 0.00 0.00 0.00 178.15 178.48 2k9p h ILE 83 N -0.67 1.19 0.59 -0.67 1.08 -1.06 -0.89 117.51 117.09 2k9p h ILE 83 Ca -0.05 -0.75 -0.02 0.00 -0.39 0.00 0.00 64.86 63.64 2k9p h ILE 83 Cb 0.54 0.97 -0.01 0.00 -3.07 0.00 0.00 36.82 35.26 2k9p h ILE 83 CO 0.05 0.26 -0.41 -1.13 -0.69 0.00 0.00 178.15 176.23 2k9p h ASN 84 N 0.46 -1.06 -0.86 1.72 -0.73 -0.66 -1.12 115.58 113.34 2k9p h ASN 84 Ca 0.10 0.07 0.07 0.00 1.87 0.00 0.00 56.30 58.41 2k9p h ASN 84 Cb 0.32 0.32 -0.06 0.00 0.27 0.00 0.00 38.32 39.17 2k9p h ASN 84 CO 0.01 -0.60 0.56 0.06 -0.37 0.00 0.00 177.43 177.09 2k9p h GLN 85 N -0.95 0.90 0.58 6.67 3.07 -1.12 -1.37 115.11 122.90 2k9p h GLN 85 Ca -0.08 -0.05 -0.03 0.00 0.09 0.00 0.00 58.65 58.58 2k9p h GLN 85 Cb 0.77 -0.20 -0.00 0.00 0.08 0.00 0.00 27.48 28.13 2k9p h GLN 85 CO 0.05 0.60 -0.35 0.28 0.09 0.00 0.00 178.83 179.50 2k9p h VAL 86 N 0.93 0.00 -0.14 1.86 2.07 -0.99 0.58 116.25 120.55 2k9p h VAL 86 Ca 0.37 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.90 2k9p h VAL 86 Cb 0.26 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.02 2k9p h VAL 86 CO -0.14 0.00 0.07 -1.28 0.02 0.00 0.00 177.57 176.24 2k9p h SER 87 N -0.87 0.10 -0.08 0.57 0.87 -1.05 -2.05 113.55 111.04 2k9p h SER 87 Ca -0.08 0.01 0.04 0.00 -1.23 0.00 0.00 61.79 60.53 2k9p h SER 87 Cb 0.69 -0.01 -0.06 0.00 -0.44 0.00 0.00 62.40 62.58 2k9p h SER 87 CO 0.09 0.08 -0.32 -0.07 -0.53 0.00 0.00 176.83 176.08 2k9p h LEU 88 N 0.15 -0.99 -0.64 2.23 -0.00 -1.27 -2.21 115.31 112.58 2k9p h LEU 88 Ca 0.06 0.14 0.11 0.00 -0.00 0.00 0.00 57.88 58.19 2k9p h LEU 88 Cb 0.01 0.41 -0.08 0.00 -0.00 0.00 0.00 40.66 41.00 2k9p h LEU 88 CO -0.04 -0.37 0.20 0.15 -0.00 0.00 0.00 178.44 178.38 2k9p h PHE 89 N -0.43 0.34 0.08 1.13 3.57 -0.63 0.25 116.94 121.25 2k9p h PHE 89 Ca 0.08 0.03 0.02 0.00 3.53 0.00 0.00 57.97 61.63 2k9p h PHE 89 Cb 0.55 -0.05 -0.03 0.00 2.79 0.00 0.00 35.95 39.21 2k9p h PHE 89 CO -0.38 0.03 -0.21 -0.07 -2.23 0.00 0.00 178.31 175.45 2k9p h LEU 90 N 0.35 -0.58 0.09 0.59 3.38 -0.96 0.18 115.31 118.36 2k9p h LEU 90 Ca 0.34 0.07 -0.00 0.00 0.09 0.00 0.00 57.88 58.38 2k9p h LEU 90 Cb 0.48 0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.46 2k9p h LEU 90 CO -0.37 -0.28 -0.04 0.40 0.09 0.00 0.00 178.44 178.23 2k9p h ILE 91 N -0.37 0.95 -0.73 1.22 2.04 -0.85 -0.83 117.51 118.93 2k9p h ILE 91 Ca 0.04 -0.15 0.11 0.00 1.00 0.00 0.00 64.86 65.85 2k9p h ILE 91 Cb 0.41 1.05 -0.08 0.00 -0.74 0.00 0.00 36.82 37.46 2k9p h ILE 91 CO -0.14 0.04 0.35 0.40 0.00 0.00 0.00 178.15 178.80 2k9p h ILE 92 N -0.19 0.80 0.35 -0.67 2.04 -0.86 0.70 117.51 119.68 2k9p h ILE 92 Ca -0.01 -0.20 -0.01 0.00 1.00 0.00 0.00 64.86 65.65 2k9p h ILE 92 Cb 0.16 0.18 -0.01 0.00 -0.74 0.00 0.00 36.82 36.40 2k9p h ILE 92 CO 0.02 0.10 -0.28 -0.07 0.00 0.00 0.00 178.15 177.93 2k9p h LEU 93 N 0.57 -0.73 -0.19 1.44 3.38 -0.76 -0.38 115.31 118.64 2k9p h LEU 93 Ca 0.37 0.06 0.04 0.00 0.09 0.00 0.00 57.88 58.44 2k9p h LEU 93 Cb 0.44 0.23 -0.04 0.00 0.09 0.00 0.00 40.66 41.38 2k9p h LEU 93 CO -0.30 -0.42 -0.09 -0.74 0.09 0.00 0.00 178.44 176.98 2k9p h HIS 94 N -0.63 -0.20 -0.07 1.13 2.76 0.09 0.24 115.15 118.47 2k9p h HIS 94 Ca -0.03 0.02 -0.00 0.00 -2.20 0.00 0.00 60.37 58.16 2k9p h HIS 94 Cb 0.55 0.12 -0.00 0.00 1.55 0.00 0.00 27.41 29.63 2k9p h HIS 94 CO -0.14 -0.14 0.04 0.77 -1.30 0.00 0.00 177.93 177.16 2k9p h SER 95 N -0.06 0.09 -0.29 3.26 0.02 -0.90 0.31 113.55 115.98 2k9p h SER 95 Ca 0.10 -0.09 -0.01 0.00 -0.84 0.00 0.00 61.79 60.96 2k9p h SER 95 Cb 0.22 -0.02 -0.01 0.00 0.14 0.00 0.00 62.40 62.72 2k9p h SER 95 CO -0.23 0.15 0.15 0.00 -1.14 0.00 0.00 176.83 175.75 2k9p h ALA 96 N 0.94 0.37 -0.88 3.77 0.00 -0.88 -1.31 119.26 121.27 2k9p h ALA 96 Ca 0.02 -0.08 0.08 0.00 0.00 0.00 0.00 54.91 54.93 2k9p h ALA 96 Cb 0.08 -0.11 -0.07 0.00 0.00 0.00 0.00 17.79 17.69 2k9p h ALA 96 CO -0.00 -0.08 0.54 -0.07 0.00 0.00 0.00 179.25 179.63 2k9p h LEU 97 N 0.34 0.82 0.51 0.00 3.38 -0.43 -0.89 115.31 119.04 2k9p h LEU 97 Ca 0.10 0.03 -0.02 0.00 0.09 0.00 0.00 57.88 58.07 2k9p h LEU 97 Cb 0.09 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.71 2k9p h LEU 97 CO -0.01 0.50 -0.24 0.22 0.09 0.00 0.00 178.44 178.99 2k9p h TYR 98 N 0.94 -0.63 -0.38 1.13 5.03 -0.60 -0.34 116.97 122.12 2k9p h TYR 98 Ca 0.40 -0.01 0.06 0.00 2.58 0.00 0.00 58.73 61.76 2k9p h TYR 98 Cb 0.25 0.21 -0.06 0.00 1.55 0.00 0.00 36.73 38.69 2k9p h TYR 98 CO -0.03 -0.31 0.04 0.74 -1.32 0.00 0.00 178.16 177.28 2k9p h PHE 99 N -0.93 0.06 -0.67 -3.82 0.04 -1.10 -0.99 116.94 109.53 2k9p h PHE 99 Ca -0.07 0.03 -0.05 0.00 2.80 0.00 0.00 57.97 60.68 2k9p h PHE 99 Cb 0.61 0.03 -0.03 0.00 2.20 0.00 0.00 35.95 38.76 2k9p h PHE 99 CO 0.00 -0.03 0.23 1.57 -0.60 0.00 0.00 178.31 179.49 2k9p h LYS 100 N 0.16 1.02 -0.69 1.51 2.10 -1.22 -1.73 116.57 117.72 2k9p h LYS 100 Ca 0.19 -0.19 -0.04 0.00 -2.00 0.00 0.00 60.65 58.60 2k9p h LYS 100 Cb 0.24 -0.16 -0.03 0.00 -0.90 0.00 0.00 32.23 31.38 2k9p h LYS 100 CO -0.27 0.86 0.27 -0.92 -2.00 0.00 0.00 179.45 177.39 2k9p h TYR 101 N 0.99 1.04 0.08 0.07 3.20 -0.07 0.22 116.97 122.49 2k9p h TYR 101 Ca 0.22 -0.07 -0.00 0.00 3.14 0.00 0.00 58.73 62.02 2k9p h TYR 101 Cb 0.25 -0.31 0.00 0.00 1.54 0.00 0.00 36.73 38.21 2k9p h TYR 101 CO 0.02 0.79 -0.04 -0.07 -1.64 0.00 0.00 178.16 177.22 2k9p h LEU 102 N 1.00 -0.09 -1.12 2.82 3.38 -1.05 -2.99 115.31 117.26 2k9p h LEU 102 Ca 0.23 -0.37 -0.04 0.00 0.09 0.00 0.00 57.88 57.79 2k9p h LEU 102 Cb 0.20 0.02 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 2k9p h LEU 102 CO -0.02 0.34 0.12 0.17 0.09 0.00 0.00 178.44 179.14 2k9p h LEU 103 N -0.53 0.68 -0.05 1.67 8.10 -1.15 -2.98 115.31 121.05 2k9p h LEU 103 Ca -0.01 -0.11 0.00 0.00 0.11 0.00 0.00 57.88 57.87 2k9p h LEU 103 Cb 0.45 -0.18 -0.00 0.00 -0.44 0.00 0.00 40.66 40.49 2k9p h LEU 103 CO 0.02 0.68 0.03 -1.28 -4.11 0.00 0.00 178.44 173.78 2k9p h SER 104 N 0.71 0.06 -0.62 0.17 0.87 -0.61 -2.13 113.55 112.00 2k9p h SER 104 Ca 0.16 -0.02 -0.01 0.00 -1.23 0.00 0.00 61.79 60.68 2k9p h SER 104 Cb 0.27 -0.01 -0.03 0.00 -0.44 0.00 0.00 62.40 62.18 2k9p h SER 104 CO -0.00 0.07 0.34 -1.13 -0.53 0.00 0.00 176.83 175.57 2k9p h ASN 105 N 0.05 0.77 -0.34 6.23 -1.24 -1.46 -2.58 115.58 117.01 2k9p h ASN 105 Ca 0.02 -0.09 0.01 0.00 0.71 0.00 0.00 56.30 56.95 2k9p h ASN 105 Cb 0.02 -0.20 -0.02 0.00 0.73 0.00 0.00 38.32 38.85 2k9p h ASN 105 CO -0.00 0.64 0.22 1.88 -1.29 0.00 0.00 177.43 178.88 2k9p h TYR 106 N 0.84 0.40 -3.22 0.67 0.05 -1.36 -3.32 116.97 111.03 2k9p h TYR 106 Ca 0.22 0.01 -0.76 0.00 0.05 0.00 0.00 58.73 58.25 2k9p h TYR 106 Cb 0.04 -0.13 -0.31 0.00 1.01 0.00 0.00 36.73 37.33 2k9p h TYR 106 CO -0.01 0.24 0.28 0.43 -1.05 0.00 0.00 178.16 178.06 2k9p n SER 107 N -4.49 5.19 -0.89 3.88 7.64 -0.82 -4.87 113.62 119.26 2k9p n SER 107 Ca 0.02 -3.19 0.05 0.00 1.01 0.00 0.00 58.87 56.76 2k9p n SER 107 Cb 0.09 -1.19 0.17 0.00 -1.01 0.00 0.00 64.21 62.27 2k9p n SER 107 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2k9p n SER 108 N 2.08 2.53 -3.53 6.43 2.88 -1.25 -4.78 113.62 117.99 2k9p n SER 108 Ca 0.24 -2.20 -0.01 0.00 -1.33 0.00 0.00 58.87 55.57 2k9p n SER 108 Cb 0.37 -0.40 -0.05 0.00 -0.75 0.00 0.00 64.21 63.38 2k9p n SER 108 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 2k9p s VAL 109 N -1.67 -0.38 -2.51 2.46 0.11 -1.26 -5.19 120.40 111.97 2k9p s VAL 109 Ca 0.25 0.00 0.20 0.00 -2.93 0.00 0.00 61.98 59.50 2k9p s VAL 109 Cb 0.16 -1.00 0.16 0.00 -1.53 0.00 0.00 36.38 34.17 2k9p s VAL 109 CO 0.12 0.00 1.13 0.41 -3.33 0.00 0.00 175.10 173.44