#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 -0.05 1.10 1.61 0.01 -1.26 -5.18 114.94 111.18 2k9p s ASN 32 Ca 0.00 0.10 -0.15 0.00 -0.71 0.00 0.00 52.86 52.10 2k9p s ASN 32 Cb 0.00 0.09 0.21 0.00 0.41 0.00 0.00 41.25 41.96 2k9p s ASN 32 CO 0.00 -0.02 0.96 0.61 -1.51 0.00 0.00 177.10 177.14 2k9p n GLY 33 N 3.09 -2.09 3.04 0.66 0.00 -1.26 -5.04 105.19 103.59 2k9p n GLY 33 Ca -0.13 -1.59 -0.34 0.00 0.00 0.00 0.00 46.02 43.97 2k9p n GLY 33 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2k9p s SER 34 N -4.33 5.17 -0.13 1.61 0.15 -1.26 -4.87 113.70 110.03 2k9p s SER 34 Ca 0.58 -3.23 0.17 0.00 0.70 0.00 0.00 55.95 54.16 2k9p s SER 34 Cb -0.04 -1.79 0.43 0.00 -1.71 0.00 0.00 66.02 62.91 2k9p s SER 34 CO 0.42 -0.26 1.20 1.07 1.20 0.00 0.00 173.24 176.87 2k9p n THR 35 N 2.93 1.36 -3.93 6.45 5.66 -1.26 -5.08 114.28 120.40 2k9p n THR 35 Ca 0.12 -2.42 -0.27 0.00 -3.05 0.00 0.00 64.05 58.43 2k9p n THR 35 Cb 0.36 0.24 -0.03 0.00 -1.55 0.00 0.00 70.33 69.35 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 -2.08 5.33 1.23 1.09 1.09 -1.26 -5.12 121.20 121.48 2k9p s ILE 36 Ca 0.37 -0.64 -0.17 0.00 -1.10 0.00 0.00 60.65 59.11 2k9p s ILE 36 Cb 0.38 -3.73 0.30 0.00 -1.06 0.00 0.00 42.46 38.35 2k9p s ILE 36 CO -0.10 -0.07 1.02 -0.89 -0.10 0.00 0.00 174.94 174.80 2k9p s THR 37 N -1.72 1.70 -0.26 2.92 2.01 -1.26 -4.95 115.64 114.09 2k9p s THR 37 Ca 0.35 0.00 0.27 0.00 0.31 0.00 0.00 61.69 62.62 2k9p s THR 37 Cb -0.11 -2.20 0.29 0.00 0.01 0.00 0.00 72.50 70.49 2k9p s THR 37 CO 0.28 0.00 1.80 2.19 -0.69 0.00 0.00 174.62 178.21 2k9p h PHE 38 N -2.77 0.00 -0.94 4.92 -5.15 -2.02 -3.29 116.94 107.70 2k9p h PHE 38 Ca -0.53 0.00 0.06 0.00 -0.20 0.00 0.00 57.97 57.30 2k9p h PHE 38 Cb 1.33 0.00 -0.07 0.00 0.22 0.00 0.00 35.95 37.44 2k9p h PHE 38 CO -1.17 0.00 0.60 0.22 -2.00 0.00 0.00 178.31 175.96 2k9p h ASP 39 N 0.00 0.95 -0.34 -0.68 3.58 -2.00 -1.59 116.42 116.35 2k9p h ASP 39 Ca 0.00 0.01 0.07 0.00 0.42 0.00 0.00 57.03 57.54 2k9p h ASP 39 Cb 0.35 -0.19 -0.07 0.00 1.72 0.00 0.00 39.33 41.14 2k9p h ASP 39 CO 0.00 0.60 -0.15 1.05 -2.88 0.00 0.00 179.24 177.86 2k9p h GLU 40 N 1.08 -0.09 -0.39 0.28 -0.00 -1.95 -1.09 114.58 112.42 2k9p h GLU 40 Ca 0.41 0.01 0.01 0.00 -0.00 0.00 0.00 59.36 59.78 2k9p h GLU 40 Cb 0.17 0.02 -0.02 0.00 -0.00 0.00 0.00 28.75 28.93 2k9p h GLU 40 CO -0.18 -0.06 0.25 -0.07 -0.00 0.00 0.00 179.01 178.95 2k9p h LEU 41 N -0.10 0.42 0.51 3.06 3.38 -1.53 0.16 115.31 121.21 2k9p h LEU 41 Ca 0.17 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.11 2k9p h LEU 41 Cb 0.36 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 2k9p h LEU 41 CO -0.40 0.31 -0.36 1.56 0.09 0.00 0.00 178.44 179.63 2k9p h GLN 42 N 0.51 -0.80 -0.44 1.13 4.20 -1.08 -1.65 115.11 116.98 2k9p h GLN 42 Ca 0.15 0.05 0.05 0.00 0.06 0.00 0.00 58.65 58.96 2k9p h GLN 42 Cb -0.04 0.18 -0.02 0.00 0.30 0.00 0.00 27.48 27.90 2k9p h GLN 42 CO -0.04 -0.53 0.29 0.78 -0.67 0.00 0.00 178.83 178.65 2k9p h GLY 43 N -0.83 0.48 0.25 3.46 0.00 -1.07 -0.62 103.07 104.74 2k9p h GLY 43 Ca -0.07 -0.16 -0.01 0.00 0.00 0.00 0.00 47.33 47.09 2k9p h GLY 43 CO 0.03 0.13 -0.12 1.41 0.00 0.00 0.00 176.54 178.00 2k9p h LEU 44 N 0.41 -0.28 -1.64 3.11 3.38 -0.56 -2.73 115.31 116.99 2k9p h LEU 44 Ca 0.18 0.01 -0.04 0.00 0.09 0.00 0.00 57.88 58.12 2k9p h LEU 44 Cb 0.22 0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 2k9p h LEU 44 CO -0.04 -0.20 -0.20 1.62 0.09 0.00 0.00 178.44 179.71 2k9p h VAL 45 N -0.34 0.80 0.34 1.22 3.04 -1.21 0.10 116.25 120.21 2k9p h VAL 45 Ca -0.03 -0.78 -0.01 0.00 -1.01 0.00 0.00 66.70 64.86 2k9p h VAL 45 Cb 0.26 1.47 -0.01 0.00 -2.01 0.00 0.00 31.29 31.00 2k9p h VAL 45 CO 0.06 0.19 -0.28 -1.13 -1.01 0.00 0.00 177.57 175.40 2k9p h ASN 46 N 0.00 -0.74 -0.21 3.17 -1.24 -1.15 -3.41 115.58 112.00 2k9p h ASN 46 Ca -0.00 0.05 -0.20 0.00 0.71 0.00 0.00 56.30 56.86 2k9p h ASN 46 Cb 0.45 0.23 -0.30 0.00 0.73 0.00 0.00 38.32 39.43 2k9p h ASN 46 CO 0.03 -0.39 -0.79 -1.20 -1.29 0.00 0.00 177.43 173.79 2k9p n SER 47 N -4.04 0.37 0.03 1.15 7.64 -1.03 -4.85 113.62 112.90 2k9p n SER 47 Ca -0.07 -2.08 0.00 0.00 1.01 0.00 0.00 58.87 57.73 2k9p n SER 47 Cb 0.26 -0.04 0.00 0.00 -1.01 0.00 0.00 64.21 63.42 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 -0.72 0.22 0.00 0.44 -1.04 0.23 -4.80 114.28 108.61 2k9p n THR 48 Ca -0.03 0.07 -0.12 0.00 -2.04 0.00 0.00 64.05 61.92 2k9p n THR 48 Cb 0.86 -1.02 -0.10 0.00 -1.82 0.00 0.00 70.33 68.25 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 1.26 -0.94 12.58 2.07 -1.47 -3.28 116.25 126.47 2k9p h VAL 49 Ca 0.00 -1.30 0.22 0.00 0.82 0.00 0.00 66.70 66.44 2k9p h VAL 49 Cb 0.33 2.09 -0.12 0.00 -1.52 0.00 0.00 31.29 32.07 2k9p h VAL 49 CO 0.00 0.31 0.50 0.00 0.02 0.00 0.00 177.57 178.41 2k9p h THR 50 N -0.69 0.55 -0.69 2.57 1.03 -1.79 0.30 112.91 114.20 2k9p h THR 50 Ca -0.01 -0.18 -0.03 0.00 -0.01 0.00 0.00 66.41 66.18 2k9p h THR 50 Cb 0.58 -0.03 -0.03 0.00 -1.07 0.00 0.00 68.15 67.59 2k9p h THR 50 CO 0.01 0.10 0.31 -0.61 -0.01 0.00 0.00 175.52 175.32 2k9p h GLN 51 N 0.54 0.99 -0.53 0.00 -0.00 -1.87 -2.95 115.11 111.28 2k9p h GLN 51 Ca 0.58 -0.15 0.01 0.00 -0.00 0.00 0.00 58.65 59.09 2k9p h GLN 51 Cb 1.06 -0.18 -0.03 0.00 0.00 0.00 0.00 27.48 28.33 2k9p h GLN 51 CO -0.47 0.78 0.35 0.00 0.00 0.00 0.00 178.83 179.49 2k9p h ALA 52 N 1.36 0.67 0.50 3.38 0.00 -0.99 0.87 119.26 125.04 2k9p h ALA 52 Ca 0.24 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.09 2k9p h ALA 52 Cb 0.14 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.72 2k9p h ALA 52 CO -0.03 0.11 -0.28 0.82 0.00 0.00 0.00 179.25 179.87 2k9p h ILE 53 N 0.71 0.43 -0.46 0.00 5.03 -1.50 -0.51 117.51 121.22 2k9p h ILE 53 Ca 0.19 0.00 0.07 0.00 -0.12 0.00 0.00 64.86 65.01 2k9p h ILE 53 Cb -0.08 0.43 -0.06 0.00 -3.03 0.00 0.00 36.82 34.08 2k9p h ILE 53 CO -0.04 0.00 0.10 -0.07 -0.68 0.00 0.00 178.15 177.46 2k9p h LEU 54 N -0.73 0.03 0.51 1.44 3.38 -1.32 -1.36 115.31 117.25 2k9p h LEU 54 Ca -0.06 0.08 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 2k9p h LEU 54 Cb 0.58 0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.43 2k9p h LEU 54 CO 0.08 0.05 -0.24 0.15 0.09 0.00 0.00 178.44 178.57 2k9p h PHE 55 N 0.24 -0.63 -0.88 1.13 3.57 -0.80 -2.34 116.94 117.23 2k9p h PHE 55 Ca 0.22 -0.01 0.15 0.00 3.53 0.00 0.00 57.97 61.86 2k9p h PHE 55 Cb 0.28 0.21 -0.10 0.00 2.79 0.00 0.00 35.95 39.13 2k9p h PHE 55 CO -0.21 -0.38 0.47 0.78 -2.23 0.00 0.00 178.31 176.74 2k9p h GLY 56 N -0.70 1.45 0.58 2.40 0.00 -0.74 0.20 103.07 106.25 2k9p h GLY 56 Ca -0.07 -0.27 -0.03 0.00 0.00 0.00 0.00 47.33 46.96 2k9p h GLY 56 CO 0.11 -0.03 -0.28 -2.08 0.00 0.00 0.00 176.54 174.26 2k9p h VAL 57 N 0.66 0.00 -0.42 4.60 2.07 -1.18 -1.14 116.25 120.83 2k9p h VAL 57 Ca 0.48 -0.01 0.00 0.00 0.82 0.00 0.00 66.70 68.00 2k9p h VAL 57 Cb 0.68 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.43 2k9p h VAL 57 CO -0.36 0.00 0.28 0.08 0.02 0.00 0.00 177.57 177.59 2k9p h ARG 58 N -0.79 0.56 0.73 1.57 0.11 -1.23 -1.68 114.38 113.65 2k9p h ARG 58 Ca -0.08 -0.03 -0.03 0.00 0.10 0.00 0.00 59.98 59.94 2k9p h ARG 58 Cb 0.60 -0.13 -0.01 0.00 1.11 0.00 0.00 29.97 31.55 2k9p h ARG 58 CO 0.13 0.37 -0.46 0.77 0.10 0.00 0.00 179.97 180.88 2k9p h SER 59 N 0.57 -1.16 -0.61 0.08 0.02 -0.58 0.13 113.55 112.00 2k9p h SER 59 Ca 0.15 0.07 0.00 0.00 -0.84 0.00 0.00 61.79 61.17 2k9p h SER 59 Cb -0.06 0.34 -0.03 0.00 0.14 0.00 0.00 62.40 62.79 2k9p h SER 59 CO -0.03 -0.70 0.38 1.23 -1.14 0.00 0.00 176.83 176.57 2k9p h GLY 60 N -1.12 0.87 0.79 -3.77 0.00 -0.92 0.41 103.07 99.33 2k9p h GLY 60 Ca -0.09 -0.35 -0.00 0.00 0.00 0.00 0.00 47.33 46.88 2k9p h GLY 60 CO 0.09 0.34 -0.03 0.00 0.00 0.00 0.00 176.54 176.93 2k9p h ALA 61 N 1.20 -0.10 -0.90 3.60 0.00 -1.32 -0.78 119.26 120.96 2k9p h ALA 61 Ca 0.22 -0.12 0.04 0.00 0.00 0.00 0.00 54.91 55.05 2k9p h ALA 61 Cb -0.05 0.04 -0.05 0.00 0.00 0.00 0.00 17.79 17.73 2k9p h ALA 61 CO -0.04 -0.45 0.59 0.00 0.00 0.00 0.00 179.25 179.35 2k9p h ALA 62 N 0.61 1.44 0.27 0.00 0.00 -0.63 -1.33 119.26 119.61 2k9p h ALA 62 Ca -0.01 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 2k9p h ALA 62 Cb 0.26 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.74 2k9p h ALA 62 CO 0.02 0.47 -0.13 0.00 0.00 0.00 0.00 179.25 179.61 2k9p h ALA 63 N 1.48 -0.37 -0.33 0.00 0.00 -0.83 -1.15 119.26 118.06 2k9p h ALA 63 Ca 0.36 -0.13 0.07 0.00 0.00 0.00 0.00 54.91 55.21 2k9p h ALA 63 Cb 0.03 0.14 -0.06 0.00 0.00 0.00 0.00 17.79 17.89 2k9p h ALA 63 CO -0.11 -0.64 -0.09 1.25 0.00 0.00 0.00 179.25 179.66 2k9p h LEU 64 N -0.51 -0.34 -0.81 0.00 6.46 -0.77 -0.76 115.31 118.58 2k9p h LEU 64 Ca -0.04 0.10 0.00 0.00 -0.12 0.00 0.00 57.88 57.83 2k9p h LEU 64 Cb 0.38 0.22 -0.04 0.00 -0.73 0.00 0.00 40.66 40.49 2k9p h LEU 64 CO 0.06 -0.12 0.51 0.00 -0.62 0.00 0.00 178.44 178.26 2k9p h THR 65 N -0.02 1.22 -0.80 1.05 1.03 -1.27 -1.86 112.91 112.26 2k9p h THR 65 Ca 0.16 -0.45 -0.03 0.00 -0.01 0.00 0.00 66.41 66.08 2k9p h THR 65 Cb 0.26 0.06 -0.04 0.00 -1.07 0.00 0.00 68.15 67.37 2k9p h THR 65 CO -0.35 0.22 0.39 0.17 -0.01 0.00 0.00 175.52 175.94 2k9p h LEU 66 N 1.10 1.03 0.42 0.00 8.10 -0.47 -0.06 115.31 125.44 2k9p h LEU 66 Ca 0.29 -0.12 -0.02 0.00 0.11 0.00 0.00 57.88 58.14 2k9p h LEU 66 Cb -0.07 -0.27 0.00 0.00 -0.44 0.00 0.00 40.66 39.88 2k9p h LEU 66 CO -0.06 0.87 -0.20 0.40 -4.11 0.00 0.00 178.44 175.34 2k9p h ILE 67 N 1.13 0.41 -0.05 0.15 2.04 -0.84 -0.93 117.51 119.43 2k9p h ILE 67 Ca 0.28 -0.57 0.02 0.00 1.00 0.00 0.00 64.86 65.59 2k9p h ILE 67 Cb 0.11 0.61 -0.03 0.00 -0.74 0.00 0.00 36.82 36.77 2k9p h ILE 67 CO -0.04 0.08 -0.10 1.62 0.00 0.00 0.00 178.15 179.71 2k9p h VAL 68 N -0.97 0.73 -0.77 1.67 3.04 -1.33 -1.60 116.25 117.01 2k9p h VAL 68 Ca -0.06 0.00 0.03 0.00 -1.01 0.00 0.00 66.70 65.66 2k9p h VAL 68 Cb 0.56 0.73 -0.04 0.00 -2.01 0.00 0.00 31.29 30.52 2k9p h VAL 68 CO 0.09 0.00 0.51 1.62 -1.01 0.00 0.00 177.57 178.78 2k9p h VAL 69 N -0.15 1.13 -0.65 1.51 3.04 -1.07 -1.47 116.25 118.59 2k9p h VAL 69 Ca 0.05 -0.33 -0.06 0.00 -1.01 0.00 0.00 66.70 65.36 2k9p h VAL 69 Cb 0.23 0.09 -0.03 0.00 -2.01 0.00 0.00 31.29 29.57 2k9p h VAL 69 CO -0.14 0.17 0.19 -0.25 -1.01 0.00 0.00 177.57 176.53 2k9p h TRP 70 N 0.95 1.04 -0.67 3.17 -0.00 -0.66 0.29 115.95 120.08 2k9p h TRP 70 Ca 0.30 -0.10 -0.08 0.00 -0.00 0.00 0.00 58.89 59.02 2k9p h TRP 70 Cb 0.03 -0.30 -0.03 0.00 -0.00 0.00 0.00 29.16 28.86 2k9p h TRP 70 CO -0.00 0.84 0.11 0.82 -0.00 0.00 0.00 178.44 180.21 2k9p h ILE 71 N 0.97 1.26 0.00 2.65 5.03 -0.32 -2.96 117.51 124.14 2k9p h ILE 71 Ca 0.21 -1.02 0.00 0.00 -0.12 0.00 0.00 64.86 63.93 2k9p h ILE 71 Cb 0.30 0.63 0.00 0.00 -3.03 0.00 0.00 36.82 34.72 2k9p h ILE 71 CO -0.00 0.39 -0.70 1.07 -0.68 0.00 0.00 178.15 178.22 2k9p n THR 72 N -4.22 1.09 0.32 -0.27 5.66 -0.93 -4.58 114.28 111.35 2k9p n THR 72 Ca 0.04 0.24 0.20 0.00 -3.05 0.00 0.00 64.05 61.49 2k9p n THR 72 Cb 0.29 -2.09 1.05 0.00 -1.55 0.00 0.00 70.33 68.03 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 -0.70 0.00 -6.75 1.09 0.87 -0.64 -3.47 113.55 103.95 2k9p h SER 73 Ca 0.00 0.00 -0.55 0.00 -1.23 0.00 0.00 61.79 60.01 2k9p h SER 73 Cb 0.70 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.64 2k9p h SER 73 CO 0.00 0.01 -0.98 0.54 -0.53 0.00 0.00 176.83 175.87 2k9p n ARG 74 N -3.20 -0.89 0.00 2.24 1.74 -1.06 -4.92 116.66 110.56 2k9p n ARG 74 Ca -0.02 0.20 0.00 0.00 -0.77 0.00 0.00 57.85 57.26 2k9p n ARG 74 Cb 0.13 -3.26 0.00 0.00 -1.02 0.00 0.00 32.46 28.31 2k9p n ARG 74 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 2k9p n SER 75 N -2.47 0.00 -3.65 0.55 7.64 -1.26 -4.93 113.62 109.50 2k9p n SER 75 Ca -0.16 0.67 -0.09 0.00 1.01 0.00 0.00 58.87 60.31 2k9p n SER 75 Cb 0.60 -0.17 -0.02 0.00 -1.01 0.00 0.00 64.21 63.61 2k9p n SER 75 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 2k9p s ARG 76 N -1.69 1.45 -0.88 1.43 3.00 -1.26 -5.10 118.95 115.89 2k9p s ARG 76 Ca 0.00 -0.70 -0.26 0.00 0.00 0.00 0.00 55.73 54.77 2k9p s ARG 76 Cb 0.00 0.56 -0.20 0.00 0.00 0.00 0.00 34.95 35.31 2k9p s ARG 76 CO 0.00 -0.65 2.53 1.63 0.00 0.00 0.00 175.30 178.81 2k9p n LYS 77 N -0.41 0.26 -2.46 3.54 5.02 -1.26 -4.92 118.16 117.92 2k9p n LYS 77 Ca -0.10 -0.05 -0.39 0.00 -2.02 0.00 0.00 58.31 55.75 2k9p n LYS 77 Cb 0.62 -1.97 -0.04 0.00 -0.02 0.00 0.00 35.03 33.62 2k9p n LYS 77 CO 0.00 0.00 0.00 -0.08 -0.52 0.00 0.00 177.40 176.80 2k9p s THR 78 N 8.61 3.49 0.14 -0.18 -1.32 -1.26 -5.01 115.64 120.11 2k9p s THR 78 Ca 1.25 1.38 -0.31 0.00 -1.21 0.00 0.00 61.69 62.80 2k9p s THR 78 Cb -0.89 -3.83 -0.08 0.00 -1.51 0.00 0.00 72.50 66.18 2k9p s THR 78 CO 0.43 0.24 1.35 -2.16 -2.21 0.00 0.00 174.62 172.27 2k9p s PRO 79 N -1.80 4.35 0.28 7.08 0.04 -1.26 -4.93 135.00 138.75 2k9p s PRO 79 Ca 0.49 2.05 0.01 0.00 0.04 0.00 0.00 61.00 63.60 2k9p s PRO 79 Cb -0.30 -3.23 0.63 0.00 0.04 0.00 0.00 34.50 31.64 2k9p s PRO 79 CO 0.38 -0.36 1.73 -0.84 0.04 0.00 0.00 177.00 177.94 2k9p h ILE 80 N 4.09 0.59 -0.87 0.56 3.07 -1.99 -2.05 117.51 120.91 2k9p h ILE 80 Ca -0.43 -0.17 0.11 0.00 1.55 0.00 0.00 64.86 65.92 2k9p h ILE 80 Cb 1.21 0.05 -0.08 0.00 -0.27 0.00 0.00 36.82 37.73 2k9p h ILE 80 CO 0.83 0.09 0.50 0.15 -1.05 0.00 0.00 178.15 178.67 2k9p h PHE 81 N 0.50 0.91 0.84 0.16 3.57 -1.99 0.16 116.94 121.10 2k9p h PHE 81 Ca 0.51 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 62.00 2k9p h PHE 81 Cb 0.87 -0.28 0.01 0.00 2.79 0.00 0.00 35.95 39.34 2k9p h PHE 81 CO -0.12 0.35 -0.41 0.82 -2.23 0.00 0.00 178.31 176.73 2k9p h ILE 82 N 0.82 0.00 -0.93 1.41 1.08 -1.78 -2.01 117.51 116.10 2k9p h ILE 82 Ca 0.43 -0.16 0.06 0.00 -0.39 0.00 0.00 64.86 64.80 2k9p h ILE 82 Cb 0.43 0.00 -0.06 0.00 -3.07 0.00 0.00 36.82 34.11 2k9p h ILE 82 CO -0.27 0.00 0.59 0.40 -0.69 0.00 0.00 178.15 178.18 2k9p h ILE 83 N -1.29 1.06 0.35 -0.67 1.08 -1.13 0.96 117.51 117.86 2k9p h ILE 83 Ca -0.12 -0.37 -0.01 0.00 -0.39 0.00 0.00 64.86 63.98 2k9p h ILE 83 Cb 0.87 -0.10 -0.01 0.00 -3.07 0.00 0.00 36.82 34.51 2k9p h ILE 83 CO 0.19 0.19 -0.26 0.78 -0.69 0.00 0.00 178.15 178.37 2k9p h ASN 84 N 1.07 -0.67 -0.99 1.72 -0.26 -0.77 -0.82 115.58 114.86 2k9p h ASN 84 Ca 0.40 0.05 0.12 0.00 -0.56 0.00 0.00 56.30 56.31 2k9p h ASN 84 Cb 0.17 0.21 -0.08 0.00 -1.06 0.00 0.00 38.32 37.56 2k9p h ASN 84 CO -0.17 -0.39 0.62 1.56 -1.06 0.00 0.00 177.43 177.98 2k9p h GLN 85 N -0.60 0.95 0.28 0.81 1.08 -0.56 -1.57 115.11 115.51 2k9p h GLN 85 Ca -0.03 -0.06 -0.01 0.00 -1.45 0.00 0.00 58.65 57.10 2k9p h GLN 85 Cb 0.52 -0.21 0.00 0.00 -0.05 0.00 0.00 27.48 27.74 2k9p h GLN 85 CO 0.00 0.63 -0.14 0.28 -0.95 0.00 0.00 178.83 178.65 2k9p h VAL 86 N 0.98 0.00 -0.35 -0.54 2.07 -0.48 0.45 116.25 118.38 2k9p h VAL 86 Ca 0.49 0.00 0.05 0.00 0.82 0.00 0.00 66.70 68.06 2k9p h VAL 86 Cb 0.48 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 30.21 2k9p h VAL 86 CO -0.27 0.00 0.07 0.28 0.02 0.00 0.00 177.57 177.67 2k9p h SER 87 N -0.39 0.01 -0.16 0.57 0.02 -1.07 -0.10 113.55 112.42 2k9p h SER 87 Ca -0.04 0.06 0.05 0.00 -0.84 0.00 0.00 61.79 61.02 2k9p h SER 87 Cb 0.30 0.08 -0.06 0.00 0.14 0.00 0.00 62.40 62.87 2k9p h SER 87 CO 0.06 0.04 -0.22 -0.07 -1.14 0.00 0.00 176.83 175.50 2k9p h LEU 88 N 0.19 -0.69 -0.67 5.07 3.38 -1.34 -2.29 115.31 118.95 2k9p h LEU 88 Ca 0.17 0.12 0.07 0.00 0.09 0.00 0.00 57.88 58.33 2k9p h LEU 88 Cb 0.19 0.32 -0.06 0.00 0.09 0.00 0.00 40.66 41.20 2k9p h LEU 88 CO -0.22 -0.27 0.35 0.15 0.09 0.00 0.00 178.44 178.54 2k9p h PHE 89 N -0.27 0.64 0.14 1.13 3.04 -0.17 -0.94 116.94 120.52 2k9p h PHE 89 Ca 0.11 0.03 0.02 0.00 3.98 0.00 0.00 57.97 62.10 2k9p h PHE 89 Cb 0.43 -0.19 -0.04 0.00 2.56 0.00 0.00 35.95 38.71 2k9p h PHE 89 CO -0.34 0.28 -0.32 -0.07 -2.02 0.00 0.00 178.31 175.84 2k9p h LEU 90 N 0.64 -0.92 0.01 0.59 -0.00 -0.49 0.31 115.31 115.44 2k9p h LEU 90 Ca 0.31 0.10 -0.00 0.00 -0.00 0.00 0.00 57.88 58.29 2k9p h LEU 90 Cb 0.25 0.34 0.00 0.00 -0.00 0.00 0.00 40.66 41.25 2k9p h LEU 90 CO -0.21 -0.41 -0.00 0.40 -0.00 0.00 0.00 178.44 178.21 2k9p h ILE 91 N -0.56 1.17 -0.82 1.22 5.03 -1.34 -1.92 117.51 120.29 2k9p h ILE 91 Ca 0.02 -0.51 0.08 0.00 -0.12 0.00 0.00 64.86 64.34 2k9p h ILE 91 Cb 0.58 1.51 -0.07 0.00 -3.03 0.00 0.00 36.82 35.81 2k9p h ILE 91 CO -0.17 0.13 0.48 0.40 -0.68 0.00 0.00 178.15 178.30 2k9p h ILE 92 N -0.23 0.95 0.51 -0.67 2.04 -1.03 0.06 117.51 119.14 2k9p h ILE 92 Ca -0.00 -0.28 -0.01 0.00 1.00 0.00 0.00 64.86 65.56 2k9p h ILE 92 Cb 0.22 0.05 -0.02 0.00 -0.74 0.00 0.00 36.82 36.33 2k9p h ILE 92 CO 0.00 0.15 -0.51 0.25 0.00 0.00 0.00 178.15 178.04 2k9p h LEU 93 N 0.82 -1.39 -0.20 1.44 5.85 -0.31 0.16 115.31 121.68 2k9p h LEU 93 Ca 0.38 0.11 0.00 0.00 0.84 0.00 0.00 57.88 59.21 2k9p h LEU 93 Cb 0.30 0.46 -0.01 0.00 0.37 0.00 0.00 40.66 41.78 2k9p h LEU 93 CO -0.22 -0.67 0.13 -0.74 -0.34 0.00 0.00 178.44 176.60 2k9p h HIS 94 N -1.01 0.26 0.25 1.25 2.76 -0.74 0.68 115.15 118.60 2k9p h HIS 94 Ca -0.06 0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.10 2k9p h HIS 94 Cb 0.88 -0.09 -0.00 0.00 1.55 0.00 0.00 27.41 29.75 2k9p h HIS 94 CO -0.26 0.18 -0.15 0.77 -1.30 0.00 0.00 177.93 177.17 2k9p h SER 95 N 0.26 -0.38 -0.75 3.26 0.02 -1.03 -0.92 113.55 114.02 2k9p h SER 95 Ca 0.07 0.02 0.03 0.00 -0.84 0.00 0.00 61.79 61.08 2k9p h SER 95 Cb -0.01 0.11 -0.05 0.00 0.14 0.00 0.00 62.40 62.59 2k9p h SER 95 CO -0.01 -0.25 0.47 0.00 -1.14 0.00 0.00 176.83 175.90 2k9p h ALA 96 N 0.35 0.99 0.57 3.77 0.00 -0.49 -0.39 119.26 124.05 2k9p h ALA 96 Ca -0.02 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 2k9p h ALA 96 Cb 0.32 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 2k9p h ALA 96 CO 0.03 0.27 -0.39 -0.07 0.00 0.00 0.00 179.25 179.09 2k9p h LEU 97 N 0.92 -1.00 -1.10 0.00 3.38 -0.77 -1.79 115.31 114.95 2k9p h LEU 97 Ca 0.30 0.06 0.08 0.00 0.09 0.00 0.00 57.88 58.41 2k9p h LEU 97 Cb 0.02 0.30 -0.06 0.00 0.09 0.00 0.00 40.66 41.01 2k9p h LEU 97 CO -0.11 -0.57 0.61 0.22 0.09 0.00 0.00 178.44 178.67 2k9p h TYR 98 N -0.90 1.09 0.30 1.13 5.03 -0.95 0.20 116.97 122.86 2k9p h TYR 98 Ca -0.08 0.03 -0.01 0.00 2.58 0.00 0.00 58.73 61.25 2k9p h TYR 98 Cb 0.74 -0.36 -0.01 0.00 1.55 0.00 0.00 36.73 38.65 2k9p h TYR 98 CO -0.10 0.54 -0.27 0.74 -1.32 0.00 0.00 178.16 177.76 2k9p h PHE 99 N 1.05 -0.74 -0.56 -3.82 -1.00 -1.08 -1.84 116.94 108.96 2k9p h PHE 99 Ca 0.42 0.00 -0.01 0.00 2.81 0.00 0.00 57.97 61.20 2k9p h PHE 99 Cb 0.25 0.28 -0.03 0.00 3.61 0.00 0.00 35.95 40.07 2k9p h PHE 99 CO -0.00 -0.36 0.32 0.87 -1.61 0.00 0.00 178.31 177.53 2k9p h LYS 100 N -0.55 0.75 -0.92 1.51 1.57 -0.77 0.96 116.57 119.11 2k9p h LYS 100 Ca -0.04 -0.06 0.10 0.00 -1.87 0.00 0.00 60.65 58.77 2k9p h LYS 100 Cb 0.47 -0.16 -0.07 0.00 0.08 0.00 0.00 32.23 32.56 2k9p h LYS 100 CO -0.02 0.54 0.59 -0.92 -0.57 0.00 0.00 179.45 179.07 2k9p h TYR 101 N 0.76 1.02 0.09 -1.35 3.20 -0.57 0.15 116.97 120.27 2k9p h TYR 101 Ca 0.20 0.03 -0.34 0.00 3.14 0.00 0.00 58.73 61.76 2k9p h TYR 101 Cb -0.01 -0.33 -0.02 0.00 1.54 0.00 0.00 36.73 37.90 2k9p h TYR 101 CO 0.00 0.47 -1.88 1.37 -1.64 0.00 0.00 178.16 176.48 2k9p h LEU 102 N 0.94 0.31 -0.10 2.82 8.10 -0.42 -3.38 115.31 123.59 2k9p h LEU 102 Ca 0.43 -0.67 -0.02 0.00 0.11 0.00 0.00 57.88 57.73 2k9p h LEU 102 Cb 0.38 -0.10 -0.00 0.00 -0.44 0.00 0.00 40.66 40.50 2k9p h LEU 102 CO -0.19 1.59 -0.01 0.25 -4.11 0.00 0.00 178.44 175.97 2k9p h LEU 103 N 0.05 0.18 -2.49 0.17 5.85 -0.71 -2.28 115.31 116.08 2k9p h LEU 103 Ca -0.37 -0.35 -0.00 0.00 0.84 0.00 0.00 57.88 58.00 2k9p h LEU 103 Cb 2.03 -0.05 -0.00 0.00 0.37 0.00 0.00 40.66 43.01 2k9p h LEU 103 CO 0.10 0.48 -0.02 0.28 -0.34 0.00 0.00 178.44 178.93 2k9p h SER 104 N -0.13 0.00 0.33 1.25 0.02 -0.91 -1.43 113.55 112.68 2k9p h SER 104 Ca 0.03 0.00 -0.32 0.00 -0.84 0.00 0.00 61.79 60.65 2k9p h SER 104 Cb 0.40 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.91 2k9p h SER 104 CO 0.01 0.02 -1.81 -1.13 -1.14 0.00 0.00 176.83 172.77 2k9p h ASN 105 N 0.00 0.22 0.53 3.07 -1.24 -1.72 -3.42 115.58 113.02 2k9p h ASN 105 Ca -0.00 -0.47 -0.03 0.00 0.71 0.00 0.00 56.30 56.52 2k9p h ASN 105 Cb 0.14 -0.07 0.01 0.00 0.73 0.00 0.00 38.32 39.12 2k9p h ASN 105 CO 0.00 1.42 -0.25 1.88 -1.29 0.00 0.00 177.43 179.19 2k9p h TYR 106 N 0.04 -0.66 -0.57 0.67 -1.99 -0.67 -3.35 116.97 110.45 2k9p h TYR 106 Ca -0.34 -0.02 -0.61 0.00 2.00 0.00 0.00 58.73 59.77 2k9p h TYR 106 Cb 2.02 0.22 -0.06 0.00 2.00 0.00 0.00 36.73 40.91 2k9p h TYR 106 CO 0.04 -0.41 2.12 0.43 -0.00 0.00 0.00 178.16 180.34 2k9p n SER 107 N -3.95 4.18 -4.64 3.88 7.64 -0.93 -4.96 113.62 114.84 2k9p n SER 107 Ca -0.09 -2.84 -0.43 0.00 1.01 0.00 0.00 58.87 56.52 2k9p n SER 107 Cb 0.28 -1.69 -0.02 0.00 -1.01 0.00 0.00 64.21 61.77 2k9p n SER 107 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2k9p s SER 108 N 4.61 6.67 -0.36 6.43 0.01 -1.26 -4.93 113.70 124.87 2k9p s SER 108 Ca 0.56 1.56 -0.00 0.00 1.31 0.00 0.00 55.95 59.38 2k9p s SER 108 Cb 0.05 -2.54 0.12 0.00 0.21 0.00 0.00 66.02 63.87 2k9p s SER 108 CO 0.07 -1.02 0.17 -0.69 0.41 0.00 0.00 173.24 172.18 2k9p s VAL 109 N 4.30 0.74 -2.00 3.43 1.01 -1.26 -5.20 120.40 121.42 2k9p s VAL 109 Ca 0.62 -1.77 0.13 0.00 0.00 0.00 0.00 61.98 60.96 2k9p s VAL 109 Cb -0.22 -1.55 0.38 0.00 0.00 0.00 0.00 36.38 35.00 2k9p s VAL 109 CO 0.23 -0.83 1.23 1.07 0.00 0.00 0.00 175.10 176.79