#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 -1.13 0.07 1.61 3.84 -1.26 -5.18 114.94 112.89 2k9p s ASN 32 Ca 0.00 1.00 -0.27 0.00 0.21 0.00 0.00 52.86 53.81 2k9p s ASN 32 Cb 0.00 2.07 0.09 0.00 -0.55 0.00 0.00 41.25 42.86 2k9p s ASN 32 CO 0.00 -0.25 1.17 -0.83 -2.79 0.00 0.00 177.10 174.40 2k9p s GLY 33 N 2.83 -0.14 -0.83 1.21 0.00 -1.26 -5.11 107.32 104.02 2k9p s GLY 33 Ca 0.12 0.11 0.01 0.00 0.00 0.00 0.00 44.72 44.96 2k9p s GLY 33 CO -0.20 2.51 1.01 -1.14 0.00 0.00 0.00 173.10 175.29 2k9p n SER 34 N -0.89 4.76 -0.86 1.64 3.41 -1.26 -4.79 113.62 115.64 2k9p n SER 34 Ca -0.03 -3.39 0.05 0.00 -0.26 0.00 0.00 58.87 55.24 2k9p n SER 34 Cb 0.60 -0.94 0.11 0.00 -0.26 0.00 0.00 64.21 63.73 2k9p n SER 34 CO 0.00 0.00 0.00 1.07 -0.16 0.00 0.00 175.04 175.95 2k9p n THR 35 N 1.23 1.16 -1.72 6.66 5.66 -1.26 -5.09 114.28 120.92 2k9p n THR 35 Ca 0.27 -2.01 -0.32 0.00 -3.05 0.00 0.00 64.05 58.94 2k9p n THR 35 Cb 0.38 0.28 0.04 0.00 -1.55 0.00 0.00 70.33 69.48 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 -1.71 3.65 0.85 1.09 -1.09 -1.26 -5.03 121.20 117.70 2k9p s ILE 36 Ca 0.32 0.67 -0.13 0.00 -2.23 0.00 0.00 60.65 59.28 2k9p s ILE 36 Cb 0.33 -3.24 0.07 0.00 -1.58 0.00 0.00 42.46 38.05 2k9p s ILE 36 CO -0.09 -0.57 0.92 0.35 -1.23 0.00 0.00 174.94 174.32 2k9p n THR 37 N -2.67 1.10 0.28 2.92 -2.24 -1.26 -4.92 114.28 107.49 2k9p n THR 37 Ca 0.09 -0.18 0.15 0.00 -2.27 0.00 0.00 64.05 61.84 2k9p n THR 37 Cb 0.53 -0.96 0.72 0.00 -2.10 0.00 0.00 70.33 68.51 2k9p n THR 37 CO 0.00 0.00 0.00 -0.26 -0.57 0.00 0.00 175.07 174.24 2k9p h PHE 38 N -1.21 0.00 0.17 4.78 -1.00 -2.00 -3.16 116.94 114.52 2k9p h PHE 38 Ca -0.45 0.00 0.01 0.00 2.81 0.00 0.00 57.97 60.35 2k9p h PHE 38 Cb 1.30 0.00 -0.04 0.00 3.61 0.00 0.00 35.95 40.81 2k9p h PHE 38 CO 0.44 0.00 -0.42 -0.44 -1.61 0.00 0.00 178.31 176.28 2k9p h ASP 39 N 0.00 -1.23 -0.25 2.17 3.32 -1.99 0.12 116.42 118.56 2k9p h ASP 39 Ca 0.00 0.13 -0.04 0.00 0.02 0.00 0.00 57.03 57.14 2k9p h ASP 39 Cb 0.18 0.45 -0.02 0.00 0.22 0.00 0.00 39.33 40.16 2k9p h ASP 39 CO 0.00 -0.50 0.04 -0.33 -1.72 0.00 0.00 179.24 176.73 2k9p h GLU 40 N -0.69 0.52 0.49 3.56 4.39 -1.93 -1.30 114.58 119.62 2k9p h GLU 40 Ca 0.01 -0.09 -0.02 0.00 0.34 0.00 0.00 59.36 59.59 2k9p h GLU 40 Cb 0.69 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 29.27 2k9p h GLU 40 CO -0.22 0.51 -0.24 -0.07 -1.16 0.00 0.00 179.01 177.84 2k9p h LEU 41 N 0.50 -0.56 -0.75 1.33 4.07 -1.58 0.32 115.31 118.64 2k9p h LEU 41 Ca 0.11 -0.06 0.09 0.00 0.08 0.00 0.00 57.88 58.10 2k9p h LEU 41 Cb 0.26 0.14 -0.07 0.00 1.08 0.00 0.00 40.66 42.07 2k9p h LEU 41 CO 0.00 -0.25 0.40 1.56 -1.08 0.00 0.00 178.44 179.07 2k9p h GLN 42 N -0.88 0.66 -0.45 1.13 1.08 -0.59 -1.93 115.11 114.13 2k9p h GLN 42 Ca -0.07 -0.04 -0.03 0.00 -1.45 0.00 0.00 58.65 57.06 2k9p h GLN 42 Cb 0.59 -0.15 -0.02 0.00 -0.05 0.00 0.00 27.48 27.85 2k9p h GLN 42 CO 0.11 0.44 0.15 0.78 -0.95 0.00 0.00 178.83 179.35 2k9p h GLY 43 N 0.68 0.74 0.97 3.46 0.00 -1.20 0.12 103.07 107.84 2k9p h GLY 43 Ca 0.37 -0.44 0.02 0.00 0.00 0.00 0.00 47.33 47.28 2k9p h GLY 43 CO -0.26 0.41 0.66 0.17 0.00 0.00 0.00 176.54 177.52 2k9p h LEU 44 N 0.58 1.12 0.00 3.11 8.10 -0.44 -2.77 115.31 125.01 2k9p h LEU 44 Ca 0.15 -0.02 -0.18 0.00 0.11 0.00 0.00 57.88 57.93 2k9p h LEU 44 Cb 0.26 -0.27 -0.03 0.00 -0.44 0.00 0.00 40.66 40.18 2k9p h LEU 44 CO -0.01 0.79 -0.93 0.58 -4.11 0.00 0.00 178.44 174.76 2k9p h VAL 45 N 1.31 1.31 0.24 0.15 2.07 -1.23 0.99 116.25 121.08 2k9p h VAL 45 Ca 0.38 -2.90 0.01 0.00 0.82 0.00 0.00 66.70 65.00 2k9p h VAL 45 Cb -0.09 2.63 -0.04 0.00 -1.52 0.00 0.00 31.29 32.28 2k9p h VAL 45 CO -0.10 0.74 -0.48 -1.13 0.02 0.00 0.00 177.57 176.63 2k9p h ASN 46 N 0.00 -1.38 -0.01 0.57 -0.73 -0.46 -3.42 115.58 110.15 2k9p h ASN 46 Ca -0.04 0.14 -0.19 0.00 1.87 0.00 0.00 56.30 58.08 2k9p h ASN 46 Cb 1.66 0.50 -0.15 0.00 0.27 0.00 0.00 38.32 40.59 2k9p h ASN 46 CO 0.10 -0.56 -0.31 -1.20 -0.37 0.00 0.00 177.43 175.09 2k9p n SER 47 N -5.50 -1.59 0.03 1.15 7.64 -1.18 -4.96 113.62 109.20 2k9p n SER 47 Ca -0.09 -2.31 0.00 0.00 1.01 0.00 0.00 58.87 57.48 2k9p n SER 47 Cb 0.41 0.79 0.00 0.00 -1.01 0.00 0.00 64.21 64.41 2k9p n SER 47 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 2k9p n THR 48 N -1.20 0.32 -0.09 0.44 -1.04 -0.74 -4.69 114.28 107.27 2k9p n THR 48 Ca -0.12 0.11 -0.13 0.00 -2.04 0.00 0.00 64.05 61.87 2k9p n THR 48 Cb 0.87 -0.94 -0.04 0.00 -1.82 0.00 0.00 70.33 68.40 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 1.30 -0.67 12.58 3.04 -1.15 -2.99 116.25 128.36 2k9p h VAL 49 Ca 0.00 -1.33 -0.03 0.00 -1.01 0.00 0.00 66.70 64.33 2k9p h VAL 49 Cb 0.00 1.55 -0.03 0.00 -2.01 0.00 0.00 31.29 30.80 2k9p h VAL 49 CO 0.00 0.42 0.30 0.00 -1.01 0.00 0.00 177.57 177.28 2k9p h THR 50 N 0.36 1.22 -0.21 3.17 1.03 -1.82 -2.23 112.91 114.43 2k9p h THR 50 Ca 0.05 -0.66 -0.10 0.00 -0.01 0.00 0.00 66.41 65.69 2k9p h THR 50 Cb 0.74 0.39 -0.01 0.00 -1.07 0.00 0.00 68.15 68.19 2k9p h THR 50 CO 0.05 0.27 -0.31 -0.61 -0.01 0.00 0.00 175.52 174.92 2k9p h GLN 51 N 0.96 0.43 -0.60 0.00 4.15 -1.83 -2.99 115.11 115.23 2k9p h GLN 51 Ca 0.23 -0.18 -0.02 0.00 0.77 0.00 0.00 58.65 59.45 2k9p h GLN 51 Cb 0.14 -0.02 -0.03 0.00 0.21 0.00 0.00 27.48 27.78 2k9p h GLN 51 CO -0.03 0.69 0.28 0.00 -1.93 0.00 0.00 178.83 177.85 2k9p h ALA 52 N 1.30 0.78 0.45 3.38 0.00 -1.25 -0.90 119.26 123.03 2k9p h ALA 52 Ca 0.05 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 2k9p h ALA 52 Cb 0.73 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.29 2k9p h ALA 52 CO 0.06 0.35 -0.22 0.82 0.00 0.00 0.00 179.25 180.26 2k9p h ILE 53 N 0.83 0.00 -0.81 0.00 2.04 -1.46 -2.39 117.51 115.73 2k9p h ILE 53 Ca 0.21 -0.04 0.13 0.00 1.00 0.00 0.00 64.86 66.15 2k9p h ILE 53 Cb 0.14 0.00 -0.06 0.00 -0.74 0.00 0.00 36.82 36.16 2k9p h ILE 53 CO -0.02 0.00 0.53 0.17 0.00 0.00 0.00 178.15 178.83 2k9p h LEU 54 N -0.65 0.56 0.51 1.44 8.10 -1.57 -1.08 115.31 122.62 2k9p h LEU 54 Ca -0.06 0.03 -0.01 0.00 0.11 0.00 0.00 57.88 57.94 2k9p h LEU 54 Cb 0.47 -0.09 -0.02 0.00 -0.44 0.00 0.00 40.66 40.58 2k9p h LEU 54 CO 0.10 0.30 -0.40 0.15 -4.11 0.00 0.00 178.44 174.48 2k9p h PHE 55 N 0.60 -1.09 -0.55 0.17 3.57 -1.16 -2.04 116.94 116.44 2k9p h PHE 55 Ca 0.39 0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.91 2k9p h PHE 55 Cb 0.67 0.41 -0.03 0.00 2.79 0.00 0.00 35.95 39.80 2k9p h PHE 55 CO -0.00 -0.58 0.37 0.78 -2.23 0.00 0.00 178.31 176.65 2k9p h GLY 56 N -0.90 0.75 0.32 2.40 0.00 -0.79 -0.90 103.07 103.96 2k9p h GLY 56 Ca -0.05 -0.27 -0.01 0.00 0.00 0.00 0.00 47.33 46.99 2k9p h GLY 56 CO -0.01 0.25 -0.22 -2.08 0.00 0.00 0.00 176.54 174.49 2k9p h VAL 57 N 0.69 0.00 -0.64 4.60 2.07 -0.97 0.28 116.25 122.29 2k9p h VAL 57 Ca 0.21 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.73 2k9p h VAL 57 Cb 0.00 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 29.74 2k9p h VAL 57 CO -0.05 0.00 0.39 0.08 0.02 0.00 0.00 177.57 178.01 2k9p h ARG 58 N -0.51 0.87 0.08 1.57 0.11 -1.31 -1.60 114.38 113.58 2k9p h ARG 58 Ca -0.04 -0.08 -0.00 0.00 0.10 0.00 0.00 59.98 59.96 2k9p h ARG 58 Cb 0.42 -0.18 0.00 0.00 1.11 0.00 0.00 29.97 31.32 2k9p h ARG 58 CO 0.03 0.62 -0.04 0.77 0.10 0.00 0.00 179.97 181.45 2k9p h SER 59 N 0.87 -0.09 -0.21 0.08 0.02 -1.18 0.12 113.55 113.16 2k9p h SER 59 Ca 0.23 -0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 61.16 2k9p h SER 59 Cb -0.03 0.02 -0.01 0.00 0.14 0.00 0.00 62.40 62.53 2k9p h SER 59 CO -0.04 -0.05 0.09 1.23 -1.14 0.00 0.00 176.83 176.92 2k9p h GLY 60 N -0.12 0.33 1.00 -3.77 0.00 -0.86 -0.21 103.07 99.43 2k9p h GLY 60 Ca -0.01 -0.17 0.00 0.00 0.00 0.00 0.00 47.33 47.15 2k9p h GLY 60 CO 0.02 0.16 0.04 0.00 0.00 0.00 0.00 176.54 176.76 2k9p h ALA 61 N 0.95 0.07 -0.91 3.60 0.00 -1.25 -1.11 119.26 120.61 2k9p h ALA 61 Ca 0.07 -0.01 0.06 0.00 0.00 0.00 0.00 54.91 55.03 2k9p h ALA 61 Cb 0.14 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 17.85 2k9p h ALA 61 CO -0.01 -0.43 0.58 0.00 0.00 0.00 0.00 179.25 179.39 2k9p h ALA 62 N 1.02 1.25 0.37 0.00 0.00 -0.68 -1.54 119.26 119.67 2k9p h ALA 62 Ca 0.02 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 2k9p h ALA 62 Cb -0.01 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.51 2k9p h ALA 62 CO -0.00 0.36 -0.21 0.00 0.00 0.00 0.00 179.25 179.40 2k9p h ALA 63 N 1.42 -0.53 -0.26 0.00 0.00 -0.80 -2.19 119.26 116.89 2k9p h ALA 63 Ca 0.39 -0.11 0.06 0.00 0.00 0.00 0.00 54.91 55.26 2k9p h ALA 63 Cb 0.14 0.24 -0.07 0.00 0.00 0.00 0.00 17.79 18.10 2k9p h ALA 63 CO -0.16 -0.81 -0.22 1.25 0.00 0.00 0.00 179.25 179.31 2k9p h LEU 64 N -0.54 -0.71 -0.82 0.00 6.46 -0.71 0.38 115.31 119.36 2k9p h LEU 64 Ca -0.04 0.13 0.01 0.00 -0.12 0.00 0.00 57.88 57.86 2k9p h LEU 64 Cb 0.43 0.34 -0.04 0.00 -0.73 0.00 0.00 40.66 40.67 2k9p h LEU 64 CO 0.06 -0.26 0.54 0.00 -0.62 0.00 0.00 178.44 178.16 2k9p h THR 65 N -0.22 1.22 -0.61 1.05 1.03 -1.32 -2.39 112.91 111.67 2k9p h THR 65 Ca 0.14 -0.41 -0.02 0.00 -0.01 0.00 0.00 66.41 66.11 2k9p h THR 65 Cb 0.43 0.01 -0.03 0.00 -1.07 0.00 0.00 68.15 67.50 2k9p h THR 65 CO -0.38 0.21 0.29 0.17 -0.01 0.00 0.00 175.52 175.80 2k9p h LEU 66 N 1.12 0.81 0.41 0.00 8.10 -0.72 -1.92 115.31 123.11 2k9p h LEU 66 Ca 0.30 -0.14 -0.01 0.00 0.11 0.00 0.00 57.88 58.15 2k9p h LEU 66 Cb -0.11 -0.21 -0.02 0.00 -0.44 0.00 0.00 40.66 39.88 2k9p h LEU 66 CO -0.06 0.72 -0.39 0.40 -4.11 0.00 0.00 178.44 175.00 2k9p h ILE 67 N 0.84 0.21 -0.67 0.15 2.04 -0.50 -0.63 117.51 118.96 2k9p h ILE 67 Ca 0.21 0.00 0.03 0.00 1.00 0.00 0.00 64.86 66.10 2k9p h ILE 67 Cb 0.13 0.21 -0.04 0.00 -0.74 0.00 0.00 36.82 36.38 2k9p h ILE 67 CO -0.03 0.00 0.41 -0.37 0.00 0.00 0.00 178.15 178.17 2k9p h VAL 68 N -0.81 1.08 -0.74 1.67 -1.51 -1.43 -1.23 116.25 113.28 2k9p h VAL 68 Ca -0.04 -0.27 0.10 0.00 -1.23 0.00 0.00 66.70 65.26 2k9p h VAL 68 Cb 0.72 0.20 -0.08 0.00 -2.13 0.00 0.00 31.29 30.01 2k9p h VAL 68 CO -0.05 0.15 0.37 0.58 -1.23 0.00 0.00 177.57 177.38 2k9p h VAL 69 N 0.80 0.82 0.00 7.19 2.07 -0.92 -0.31 116.25 125.90 2k9p h VAL 69 Ca 0.27 -0.21 -0.06 0.00 0.82 0.00 0.00 66.70 67.52 2k9p h VAL 69 Cb 0.04 0.16 -0.01 0.00 -1.52 0.00 0.00 31.29 29.96 2k9p h VAL 69 CO -0.11 0.11 -0.28 -0.50 0.02 0.00 0.00 177.57 176.81 2k9p h TRP 70 N 0.61 0.00 -0.07 1.57 6.55 -0.43 0.20 115.95 124.38 2k9p h TRP 70 Ca 0.37 0.00 -0.18 0.00 0.95 0.00 0.00 58.89 60.03 2k9p h TRP 70 Cb 0.42 0.00 -0.01 0.00 -0.86 0.00 0.00 29.16 28.71 2k9p h TRP 70 CO -0.11 0.28 -0.72 0.82 -1.05 0.00 0.00 178.44 177.67 2k9p h ILE 71 N 0.00 1.39 0.00 1.49 5.03 0.08 -3.18 117.51 122.31 2k9p h ILE 71 Ca -0.00 -2.15 0.00 0.00 -0.12 0.00 0.00 64.86 62.59 2k9p h ILE 71 Cb 0.82 2.12 0.00 0.00 -3.03 0.00 0.00 36.82 36.72 2k9p h ILE 71 CO 0.04 0.64 -0.55 1.07 -0.68 0.00 0.00 178.15 178.66 2k9p n THR 72 N -3.83 1.07 0.16 -0.27 5.66 -0.66 -4.74 114.28 111.67 2k9p n THR 72 Ca -0.04 0.25 0.02 0.00 -3.05 0.00 0.00 64.05 61.23 2k9p n THR 72 Cb 0.70 -1.95 0.24 0.00 -1.55 0.00 0.00 70.33 67.76 2k9p n THR 72 CO 0.00 0.00 0.00 -1.28 -3.05 0.00 0.00 175.07 170.74 2k9p h SER 73 N -0.55 0.00 -6.07 1.09 0.87 -0.86 -3.48 113.55 104.55 2k9p h SER 73 Ca 0.00 0.00 -0.42 0.00 -1.23 0.00 0.00 61.79 60.14 2k9p h SER 73 Cb 0.55 0.00 0.06 0.00 -0.44 0.00 0.00 62.40 62.57 2k9p h SER 73 CO 0.00 0.51 -0.82 0.54 -0.53 0.00 0.00 176.83 176.53 2k9p n ARG 74 N -3.69 -5.12 -0.48 2.24 5.12 -0.53 -4.97 116.66 109.21 2k9p n ARG 74 Ca -0.01 0.64 -0.29 0.00 -1.93 0.00 0.00 57.85 56.26 2k9p n ARG 74 Cb 0.57 -5.26 0.27 0.00 -1.16 0.00 0.00 32.46 26.87 2k9p n ARG 74 CO 0.00 0.00 0.00 -1.12 -1.93 0.00 0.00 177.63 174.58 2k9p s SER 75 N -4.27 0.36 -0.30 0.55 0.01 -1.26 -5.01 113.70 103.77 2k9p s SER 75 Ca 0.06 1.35 0.06 0.00 1.31 0.00 0.00 55.95 58.72 2k9p s SER 75 Cb -0.03 -2.07 0.19 0.00 0.21 0.00 0.00 66.02 64.32 2k9p s SER 75 CO 0.81 -4.56 0.56 0.00 0.41 0.00 0.00 173.24 170.46 2k9p s ARG 76 N -4.57 0.56 0.00 12.44 1.70 -1.26 -4.97 118.95 122.86 2k9p s ARG 76 Ca 0.69 0.37 0.00 0.00 -0.47 0.00 0.00 55.73 56.32 2k9p s ARG 76 Cb -0.23 0.13 0.00 0.00 -0.57 0.00 0.00 34.95 34.28 2k9p s ARG 76 CO 0.64 -1.07 0.00 1.63 -1.08 0.00 0.00 175.30 175.42 2k9p n LYS 77 N 5.29 0.00 -1.43 3.89 4.76 -1.26 -5.16 118.16 124.25 2k9p n LYS 77 Ca 0.05 0.00 -0.34 0.00 -2.87 0.00 0.00 58.31 55.15 2k9p n LYS 77 Cb 0.53 0.00 0.09 0.00 -1.84 0.00 0.00 35.03 33.82 2k9p n LYS 77 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 2k9p s THR 78 N -0.43 2.30 0.12 -0.18 -4.23 -1.26 -4.96 115.64 107.01 2k9p s THR 78 Ca 0.00 0.15 -0.31 0.00 -1.18 0.00 0.00 61.69 60.35 2k9p s THR 78 Cb 0.00 -2.72 -0.09 0.00 1.34 0.00 0.00 72.50 71.03 2k9p s THR 78 CO 0.00 -0.08 1.50 -2.16 -0.54 0.00 0.00 174.62 173.34 2k9p s PRO 79 N -3.91 4.26 0.36 3.99 0.04 -1.26 -4.91 135.00 133.57 2k9p s PRO 79 Ca 0.74 2.22 0.14 0.00 0.04 0.00 0.00 61.00 64.15 2k9p s PRO 79 Cb -0.29 -3.29 1.00 0.00 0.04 0.00 0.00 34.50 31.97 2k9p s PRO 79 CO 0.45 -0.56 1.75 -0.84 0.04 0.00 0.00 177.00 177.85 2k9p h ILE 80 N 4.29 0.53 -0.87 0.56 3.07 -1.99 -0.52 117.51 122.58 2k9p h ILE 80 Ca -0.42 -0.17 0.05 0.00 1.55 0.00 0.00 64.86 65.87 2k9p h ILE 80 Cb 1.20 0.01 -0.06 0.00 -0.27 0.00 0.00 36.82 37.70 2k9p h ILE 80 CO 0.90 0.09 0.55 0.15 -1.05 0.00 0.00 178.15 178.78 2k9p h PHE 81 N 0.48 1.02 0.32 0.16 3.04 -1.99 0.10 116.94 120.09 2k9p h PHE 81 Ca 0.62 0.03 -0.02 0.00 3.98 0.00 0.00 57.97 62.58 2k9p h PHE 81 Cb 1.38 -0.33 0.00 0.00 2.56 0.00 0.00 35.95 39.56 2k9p h PHE 81 CO -0.00 0.55 -0.16 0.82 -2.02 0.00 0.00 178.31 177.50 2k9p h ILE 82 N 1.03 0.69 -0.85 1.41 1.08 -1.48 -0.76 117.51 118.61 2k9p h ILE 82 Ca 0.36 -0.47 0.04 0.00 -0.39 0.00 0.00 64.86 64.41 2k9p h ILE 82 Cb 0.10 0.93 -0.05 0.00 -3.07 0.00 0.00 36.82 34.73 2k9p h ILE 82 CO -0.15 0.09 0.54 0.40 -0.69 0.00 0.00 178.15 178.34 2k9p h ILE 83 N -0.70 1.11 -0.20 -0.67 1.08 -1.18 -0.47 117.51 116.47 2k9p h ILE 83 Ca -0.04 -0.35 -0.04 0.00 -0.39 0.00 0.00 64.86 64.03 2k9p h ILE 83 Cb 0.48 -0.02 -0.01 0.00 -3.07 0.00 0.00 36.82 34.21 2k9p h ILE 83 CO 0.07 0.19 -0.02 0.78 -0.69 0.00 0.00 178.15 178.49 2k9p h ASN 84 N 1.03 0.36 0.22 1.72 2.35 -0.84 -1.00 115.58 119.42 2k9p h ASN 84 Ca 0.35 -0.33 0.01 0.00 -0.55 0.00 0.00 56.30 55.78 2k9p h ASN 84 Cb 0.06 -0.10 -0.03 0.00 0.05 0.00 0.00 38.32 38.30 2k9p h ASN 84 CO -0.13 0.61 -0.35 1.56 -1.65 0.00 0.00 177.43 177.46 2k9p h GLN 85 N 0.11 -0.62 -0.64 0.81 1.08 -0.59 -1.23 115.11 114.03 2k9p h GLN 85 Ca 0.05 0.04 0.00 0.00 -1.45 0.00 0.00 58.65 57.30 2k9p h GLN 85 Cb 0.43 0.14 -0.03 0.00 -0.05 0.00 0.00 27.48 27.97 2k9p h GLN 85 CO 0.01 -0.41 0.41 -0.39 -0.95 0.00 0.00 178.83 177.51 2k9p h VAL 86 N -0.64 1.17 0.12 -0.54 -1.51 -1.15 -1.52 116.25 112.18 2k9p h VAL 86 Ca 0.01 -0.33 0.02 0.00 -1.23 0.00 0.00 66.70 65.17 2k9p h VAL 86 Cb 0.63 0.24 -0.04 0.00 -2.13 0.00 0.00 31.29 29.99 2k9p h VAL 86 CO -0.15 0.17 -0.39 -1.28 -1.23 0.00 0.00 177.57 174.69 2k9p h SER 87 N 0.87 -1.13 -0.09 4.19 0.87 -0.93 0.92 113.55 118.25 2k9p h SER 87 Ca 0.23 0.13 0.03 0.00 -1.23 0.00 0.00 61.79 60.95 2k9p h SER 87 Cb -0.08 0.43 -0.03 0.00 -0.44 0.00 0.00 62.40 62.27 2k9p h SER 87 CO -0.05 -0.47 -0.09 -0.07 -0.53 0.00 0.00 176.83 175.62 2k9p h LEU 88 N -0.62 -0.29 -0.65 2.23 -0.00 -1.12 -2.23 115.31 112.62 2k9p h LEU 88 Ca 0.02 0.06 0.11 0.00 -0.00 0.00 0.00 57.88 58.07 2k9p h LEU 88 Cb 0.65 0.14 -0.08 0.00 -0.00 0.00 0.00 40.66 41.37 2k9p h LEU 88 CO -0.23 -0.13 0.24 -0.26 -0.00 0.00 0.00 178.44 178.06 2k9p h PHE 89 N -0.12 0.41 0.14 1.13 0.04 -0.92 0.14 116.94 117.76 2k9p h PHE 89 Ca 0.07 0.03 0.01 0.00 2.80 0.00 0.00 57.97 60.88 2k9p h PHE 89 Cb 0.22 -0.09 -0.02 0.00 2.20 0.00 0.00 35.95 38.26 2k9p h PHE 89 CO -0.20 0.08 -0.19 -0.07 -0.60 0.00 0.00 178.31 177.33 2k9p h LEU 90 N 0.41 -0.52 -0.06 1.54 3.38 -0.42 0.29 115.31 119.93 2k9p h LEU 90 Ca 0.34 0.06 -0.00 0.00 0.09 0.00 0.00 57.88 58.36 2k9p h LEU 90 Cb 0.46 0.19 -0.00 0.00 0.09 0.00 0.00 40.66 41.39 2k9p h LEU 90 CO -0.34 -0.27 0.02 0.40 0.09 0.00 0.00 178.44 178.33 2k9p h ILE 91 N -0.38 1.16 -0.65 1.22 2.04 -1.03 -0.55 117.51 119.31 2k9p h ILE 91 Ca 0.02 -0.47 0.04 0.00 1.00 0.00 0.00 64.86 65.45 2k9p h ILE 91 Cb 0.38 1.36 -0.05 0.00 -0.74 0.00 0.00 36.82 37.78 2k9p h ILE 91 CO -0.08 0.13 0.39 0.40 0.00 0.00 0.00 178.15 178.99 2k9p h ILE 92 N -0.08 1.04 0.43 -0.67 2.04 -0.92 0.14 117.51 119.49 2k9p h ILE 92 Ca 0.02 -0.26 -0.01 0.00 1.00 0.00 0.00 64.86 65.61 2k9p h ILE 92 Cb 0.19 0.23 -0.02 0.00 -0.74 0.00 0.00 36.82 36.48 2k9p h ILE 92 CO -0.00 0.14 -0.45 0.25 0.00 0.00 0.00 178.15 178.09 2k9p h LEU 93 N 0.75 -1.22 -0.56 1.44 5.85 -0.86 0.00 115.31 120.71 2k9p h LEU 93 Ca 0.27 0.10 0.04 0.00 0.84 0.00 0.00 57.88 59.13 2k9p h LEU 93 Cb 0.08 0.41 -0.04 0.00 0.37 0.00 0.00 40.66 41.47 2k9p h LEU 93 CO -0.13 -0.60 0.32 -0.74 -0.34 0.00 0.00 178.44 176.95 2k9p h HIS 94 N -0.90 0.59 0.49 1.25 2.76 -0.46 0.78 115.15 119.67 2k9p h HIS 94 Ca -0.04 0.02 -0.02 0.00 -2.20 0.00 0.00 60.37 58.13 2k9p h HIS 94 Cb 0.79 -0.19 -0.00 0.00 1.55 0.00 0.00 27.41 29.56 2k9p h HIS 94 CO -0.24 0.32 -0.30 0.77 -1.30 0.00 0.00 177.93 177.18 2k9p h SER 95 N 0.62 -0.75 -0.89 3.26 0.02 -0.74 0.02 113.55 115.09 2k9p h SER 95 Ca 0.23 0.04 0.02 0.00 -0.84 0.00 0.00 61.79 61.25 2k9p h SER 95 Cb 0.08 0.22 -0.05 0.00 0.14 0.00 0.00 62.40 62.79 2k9p h SER 95 CO -0.13 -0.47 0.59 0.00 -1.14 0.00 0.00 176.83 175.68 2k9p h ALA 96 N -0.29 1.15 0.27 3.77 0.00 -0.68 0.98 119.26 124.47 2k9p h ALA 96 Ca -0.06 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 2k9p h ALA 96 Cb 0.61 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 2k9p h ALA 96 CO 0.06 0.50 -0.16 -0.07 0.00 0.00 0.00 179.25 179.57 2k9p h LEU 97 N 1.18 -0.41 -0.36 0.00 3.38 -0.80 0.24 115.31 118.55 2k9p h LEU 97 Ca 0.34 0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.33 2k9p h LEU 97 Cb -0.08 0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 2k9p h LEU 97 CO -0.09 -0.27 0.21 0.22 0.09 0.00 0.00 178.44 178.60 2k9p h TYR 98 N -0.42 0.47 -0.03 1.13 5.03 -0.52 0.65 116.97 123.28 2k9p h TYR 98 Ca -0.03 -0.00 0.02 0.00 2.58 0.00 0.00 58.73 61.30 2k9p h TYR 98 Cb 0.34 -0.15 -0.03 0.00 1.55 0.00 0.00 36.73 38.44 2k9p h TYR 98 CO -0.09 0.35 -0.12 0.74 -1.32 0.00 0.00 178.16 177.73 2k9p h PHE 99 N 0.46 -0.29 -0.21 -3.82 0.04 -0.80 -0.51 116.94 111.80 2k9p h PHE 99 Ca 0.13 0.01 -0.08 0.00 2.80 0.00 0.00 57.97 60.83 2k9p h PHE 99 Cb 0.02 0.14 -0.01 0.00 2.20 0.00 0.00 35.95 38.29 2k9p h PHE 99 CO -0.03 -0.18 -0.22 1.57 -0.60 0.00 0.00 178.31 178.85 2k9p h LYS 100 N -0.18 0.39 0.16 1.51 2.10 -0.77 -1.28 116.57 118.49 2k9p h LYS 100 Ca 0.05 -0.13 -0.01 0.00 -2.00 0.00 0.00 60.65 58.57 2k9p h LYS 100 Cb 0.25 -0.03 0.00 0.00 -0.90 0.00 0.00 32.23 31.55 2k9p h LYS 100 CO -0.14 0.59 -0.08 -0.92 -2.00 0.00 0.00 179.45 176.90 2k9p h TYR 101 N 0.35 -0.20 -0.17 0.07 3.20 -0.55 0.33 116.97 119.99 2k9p h TYR 101 Ca 0.06 -0.00 -0.12 0.00 3.14 0.00 0.00 58.73 61.80 2k9p h TYR 101 Cb 0.58 0.07 -0.01 0.00 1.54 0.00 0.00 36.73 38.91 2k9p h TYR 101 CO 0.02 -0.06 -0.42 1.37 -1.64 0.00 0.00 178.16 177.42 2k9p h LEU 102 N -0.30 0.42 -0.14 2.82 8.10 -1.00 -3.04 115.31 122.18 2k9p h LEU 102 Ca -0.02 -0.19 -0.23 0.00 0.11 0.00 0.00 57.88 57.55 2k9p h LEU 102 Cb 0.23 -0.12 0.01 0.00 -0.44 0.00 0.00 40.66 40.34 2k9p h LEU 102 CO 0.04 0.80 -0.97 0.17 -4.11 0.00 0.00 178.44 174.37 2k9p h LEU 103 N 0.33 0.59 -0.84 0.17 8.10 -1.22 -2.90 115.31 119.55 2k9p h LEU 103 Ca 0.03 -0.48 -0.04 0.00 0.11 0.00 0.00 57.88 57.51 2k9p h LEU 103 Cb 0.88 -0.18 -0.04 0.00 -0.44 0.00 0.00 40.66 40.88 2k9p h LEU 103 CO 0.07 1.28 0.38 0.28 -4.11 0.00 0.00 178.44 176.35 2k9p h SER 104 N 0.25 1.12 1.81 0.17 0.02 -0.86 -1.57 113.55 114.48 2k9p h SER 104 Ca -0.09 -0.15 0.00 0.00 -0.84 0.00 0.00 61.79 60.71 2k9p h SER 104 Cb 1.61 -0.29 0.00 0.00 0.14 0.00 0.00 62.40 63.86 2k9p h SER 104 CO 0.17 0.95 0.00 0.78 -1.14 0.00 0.00 176.83 177.59 2k9p h ASN 105 N 1.20 0.00 -0.55 3.07 2.35 -1.63 -3.35 115.58 116.67 2k9p h ASN 105 Ca 0.29 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 56.03 2k9p h ASN 105 Cb 0.15 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.49 2k9p h ASN 105 CO -0.03 0.00 0.34 0.22 -1.65 0.00 0.00 177.43 176.31 2k9p h TYR 106 N 0.00 0.72 -2.93 1.19 5.03 -1.06 -3.42 116.97 116.49 2k9p h TYR 106 Ca 0.00 0.00 -0.21 0.00 2.58 0.00 0.00 58.73 61.10 2k9p h TYR 106 Cb 0.90 -0.24 -0.32 0.00 1.55 0.00 0.00 36.73 38.63 2k9p h TYR 106 CO 0.00 0.49 -0.52 0.45 -1.32 0.00 0.00 178.16 177.26 2k9p s SER 107 N -5.76 0.13 -0.06 -2.11 0.15 -1.20 -5.03 113.70 99.81 2k9p s SER 107 Ca -0.13 0.56 0.10 0.00 0.70 0.00 0.00 55.95 57.18 2k9p s SER 107 Cb 0.12 0.57 0.41 0.00 -1.71 0.00 0.00 66.02 65.42 2k9p s SER 107 CO 0.75 -0.21 1.26 -1.20 1.20 0.00 0.00 173.24 175.04 2k9p n SER 108 N 4.91 2.93 -3.53 5.45 7.64 -1.26 -4.74 113.62 125.02 2k9p n SER 108 Ca -0.14 -2.25 -0.27 0.00 1.01 0.00 0.00 58.87 57.22 2k9p n SER 108 Cb 0.51 -0.44 -0.15 0.00 -1.01 0.00 0.00 64.21 63.13 2k9p n SER 108 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 2k9p s VAL 109 N -1.71 -0.11 -2.07 0.44 -7.23 -1.26 -5.21 120.40 103.25 2k9p s VAL 109 Ca 0.29 -0.66 0.31 0.00 -1.81 0.00 0.00 61.98 60.12 2k9p s VAL 109 Cb 0.19 -0.94 0.86 0.00 0.56 0.00 0.00 36.38 37.05 2k9p s VAL 109 CO 0.14 -0.65 2.16 0.41 -0.31 0.00 0.00 175.10 176.85