#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k0p s GLN 2 N 0.00 3.67 -0.03 0.03 -0.21 -1.26 -0.80 119.66 121.06 2k0p s GLN 2 Ca 0.00 -0.49 0.08 0.00 0.02 0.00 0.00 55.36 54.97 2k0p s GLN 2 Cb 0.00 -2.95 -0.02 0.00 1.00 0.00 0.00 33.01 31.04 2k0p s GLN 2 CO 0.00 0.28 -0.26 0.71 -2.12 0.00 0.00 175.29 173.91 2k0p s TYR 3 N 0.27 2.33 -0.15 0.91 2.02 -0.52 -4.93 117.35 117.28 2k0p s TYR 3 Ca -0.02 -0.48 -0.17 0.00 -0.37 0.00 0.00 57.07 56.02 2k0p s TYR 3 Cb -0.14 -1.50 -0.04 0.00 -0.40 0.00 0.00 41.96 39.88 2k0p s TYR 3 CO 0.02 -0.07 0.46 0.15 -1.57 0.00 0.00 175.55 174.54 2k0p s LYS 4 N -0.53 4.28 -0.25 -0.62 1.02 -0.45 -1.28 119.74 121.91 2k0p s LYS 4 Ca 0.08 0.38 -0.09 0.00 0.02 0.00 0.00 55.97 56.35 2k0p s LYS 4 Cb -0.11 -3.47 -0.04 0.00 -0.52 0.00 0.00 37.83 33.69 2k0p s LYS 4 CO -0.00 0.08 0.12 -1.17 -0.92 0.00 0.00 175.35 173.46 2k0p s LEU 5 N 0.90 3.76 -0.29 3.17 2.96 -0.04 -0.93 118.68 128.22 2k0p s LEU 5 Ca 0.24 -0.07 -0.14 0.00 -0.22 0.00 0.00 54.13 53.94 2k0p s LEU 5 Cb -0.15 -2.02 -0.04 0.00 0.50 0.00 0.00 46.19 44.49 2k0p s LEU 5 CO 0.09 -0.00 0.31 -0.63 -1.32 0.00 0.00 176.35 174.80 2k0p s ILE 6 N 1.44 5.22 -0.23 6.68 1.01 0.38 -1.08 121.20 134.62 2k0p s ILE 6 Ca 0.06 0.34 -0.12 0.00 0.00 0.00 0.00 60.65 60.94 2k0p s ILE 6 Cb -0.15 -3.67 -0.05 0.00 0.01 0.00 0.00 42.46 38.60 2k0p s ILE 6 CO 0.06 0.14 0.21 -0.22 0.00 0.00 0.00 174.94 175.12 2k0p s LEU 7 N 1.96 4.13 -0.48 2.97 2.96 0.14 -0.68 118.68 129.68 2k0p s LEU 7 Ca 0.12 0.20 0.03 0.00 -0.22 0.00 0.00 54.13 54.26 2k0p s LEU 7 Cb -0.16 -2.19 0.14 0.00 0.50 0.00 0.00 46.19 44.49 2k0p s LEU 7 CO 0.11 0.05 0.29 0.21 -1.32 0.00 0.00 176.35 175.68 2k0p s ASN 8 N 1.00 3.56 0.00 3.68 2.47 -1.05 -1.37 114.94 123.24 2k0p s ASN 8 Ca 0.10 -2.89 0.00 0.00 0.42 0.00 0.00 52.86 50.49 2k0p s ASN 8 Cb -0.14 -1.07 0.00 0.00 -1.45 0.00 0.00 41.25 38.59 2k0p s ASN 8 CO 0.05 -0.22 0.00 0.61 -3.72 0.00 0.00 177.10 173.81 2k0p n GLY 9 N 3.19 1.30 5.43 1.21 0.00 -0.78 -4.13 105.19 111.41 2k0p n GLY 9 Ca 0.13 -1.67 0.00 0.00 0.00 0.00 0.00 46.02 44.48 2k0p n GLY 9 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2k0p n LYS 10 N -1.68 0.00 -0.08 1.61 4.81 -1.26 -0.61 118.16 120.95 2k0p n LYS 10 Ca 0.00 0.00 -0.17 0.00 -0.87 0.00 0.00 58.31 57.27 2k0p n LYS 10 Cb 0.00 0.00 -0.12 0.00 0.02 0.00 0.00 35.03 34.93 2k0p n LYS 10 CO 0.00 0.00 0.00 1.15 1.17 0.00 0.00 177.40 179.72 2k0p h THR 11 N 0.00 1.43 -3.22 3.15 2.02 -1.94 -3.49 112.91 110.86 2k0p h THR 11 Ca 0.00 -2.29 -0.08 0.00 0.77 0.00 0.00 66.41 64.81 2k0p h THR 11 Cb 0.00 2.91 -0.16 0.00 -1.74 0.00 0.00 68.15 69.16 2k0p h THR 11 CO 0.00 0.49 -0.19 -0.76 0.37 0.00 0.00 175.52 175.44 2k0p s LEU 12 N -8.06 0.69 -0.10 2.58 1.43 0.22 -5.14 118.68 110.31 2k0p s LEU 12 Ca -0.23 -0.14 0.04 0.00 -1.03 0.00 0.00 54.13 52.77 2k0p s LEU 12 Cb 0.01 1.51 0.00 0.00 0.03 0.00 0.00 46.19 47.75 2k0p s LEU 12 CO 0.65 -0.65 -0.22 -0.75 0.23 0.00 0.00 176.35 175.62 2k0p s LYS 13 N -2.62 2.85 0.00 1.70 2.20 -1.26 -1.87 119.74 120.73 2k0p s LYS 13 Ca -0.04 -0.81 0.00 0.00 -0.36 0.00 0.00 55.97 54.76 2k0p s LYS 13 Cb -0.01 -2.19 0.00 0.00 -1.51 0.00 0.00 37.83 34.13 2k0p s LYS 13 CO -0.04 0.13 0.00 0.41 -0.36 0.00 0.00 175.35 175.49 2k0p n GLY 14 N 3.65 -2.12 2.89 5.54 0.00 -0.47 -5.00 105.19 109.68 2k0p n GLY 14 Ca -0.20 -1.19 -0.26 0.00 0.00 0.00 0.00 46.02 44.37 2k0p n GLY 14 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2k0p s GLU 15 N -1.86 1.34 -0.10 1.61 2.02 -1.26 -0.69 118.70 119.76 2k0p s GLU 15 Ca 0.00 -0.19 0.02 0.00 0.02 0.00 0.00 54.97 54.82 2k0p s GLU 15 Cb 0.00 -1.44 0.01 0.00 0.10 0.00 0.00 34.13 32.80 2k0p s GLU 15 CO 0.00 -0.25 -0.18 0.95 0.02 0.00 0.00 175.26 175.80 2k0p s THR 16 N 1.67 1.64 -0.37 3.63 -4.23 -0.24 -4.95 115.64 112.79 2k0p s THR 16 Ca 0.03 -0.74 -0.24 0.00 -1.18 0.00 0.00 61.69 59.56 2k0p s THR 16 Cb -0.13 -1.47 0.01 0.00 1.34 0.00 0.00 72.50 72.26 2k0p s THR 16 CO -0.07 0.47 0.82 -0.89 -0.54 0.00 0.00 174.62 174.41 2k0p s THR 17 N 0.77 4.69 -0.14 3.99 2.01 -1.26 -0.86 115.64 124.84 2k0p s THR 17 Ca -0.11 0.96 -0.01 0.00 0.31 0.00 0.00 61.69 62.84 2k0p s THR 17 Cb -0.16 -4.25 -0.01 0.00 0.01 0.00 0.00 72.50 68.09 2k0p s THR 17 CO 0.01 -0.47 -0.12 -0.89 -0.69 0.00 0.00 174.62 172.47 2k0p s THR 18 N 3.21 3.13 -1.06 -0.82 2.01 -0.41 -4.99 115.64 116.71 2k0p s THR 18 Ca 0.33 -0.63 -0.23 0.00 0.31 0.00 0.00 61.69 61.48 2k0p s THR 18 Cb -0.13 -2.33 -0.00 0.00 0.01 0.00 0.00 72.50 70.05 2k0p s THR 18 CO 0.18 0.51 1.75 -1.61 -0.69 0.00 0.00 174.62 174.76 2k0p s GLU 19 N 0.47 3.13 0.00 4.92 2.02 -1.26 -1.44 118.70 126.54 2k0p s GLU 19 Ca -0.09 -1.03 0.24 0.00 0.02 0.00 0.00 54.97 54.12 2k0p s GLU 19 Cb -0.16 -5.28 0.26 0.00 0.10 0.00 0.00 34.13 29.05 2k0p s GLU 19 CO 0.04 -2.92 1.27 0.00 0.02 0.00 0.00 175.26 173.67 2k0p n ALA 20 N 11.45 3.08 0.00 5.21 0.00 -1.23 -4.97 120.51 134.04 2k0p n ALA 20 Ca 0.40 -0.61 0.00 0.00 0.00 0.00 0.00 53.44 53.24 2k0p n ALA 20 Cb 0.48 -0.88 0.00 0.00 0.00 0.00 0.00 19.45 19.05 2k0p n ALA 20 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2k0p n VAL 21 N 0.32 0.00 -3.76 0.00 0.31 0.02 -3.98 118.33 111.24 2k0p n VAL 21 Ca 0.12 0.00 -0.13 0.00 -0.01 0.00 0.00 64.34 64.32 2k0p n VAL 21 Cb 0.48 0.00 -0.12 0.00 -0.91 0.00 0.00 33.84 33.29 2k0p n VAL 21 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2k0p s ASP 22 N 0.00 -0.29 0.00 4.52 -1.08 -1.26 -0.63 116.67 117.93 2k0p s ASP 22 Ca 0.00 0.57 0.00 0.00 -0.52 0.00 0.00 52.55 52.60 2k0p s ASP 22 Cb 0.00 0.54 0.00 0.00 -1.46 0.00 0.00 42.92 42.00 2k0p s ASP 22 CO 0.00 -0.12 0.00 0.00 0.52 0.00 0.00 175.17 175.57 2k0p n ALA 23 N 3.27 0.00 0.39 3.66 0.00 -1.26 -0.70 120.51 125.86 2k0p n ALA 23 Ca -0.16 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.11 2k0p n ALA 23 Cb 0.57 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.94 2k0p n ALA 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2k0p h ALA 24 N 0.00 -1.24 -0.62 0.00 0.00 -1.98 -2.67 119.26 112.75 2k0p h ALA 24 Ca 0.00 -0.22 0.07 0.00 0.00 0.00 0.00 54.91 54.76 2k0p h ALA 24 Cb 0.00 0.51 -0.06 0.00 0.00 0.00 0.00 17.79 18.24 2k0p h ALA 24 CO 0.00 -1.19 0.30 1.15 0.00 0.00 0.00 179.25 179.51 2k0p h THR 25 N -1.06 0.89 0.00 0.00 2.02 -1.19 -1.89 112.91 111.68 2k0p h THR 25 Ca -0.10 -0.19 -0.01 0.00 0.77 0.00 0.00 66.41 66.89 2k0p h THR 25 Cb 0.84 0.29 -0.00 0.00 -1.74 0.00 0.00 68.15 67.54 2k0p h THR 25 CO 0.12 0.10 -0.04 0.00 0.37 0.00 0.00 175.52 176.07 2k0p h ALA 26 N 1.36 1.90 -0.41 6.16 0.00 -1.45 -0.03 119.26 126.80 2k0p h ALA 26 Ca 0.29 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 55.07 2k0p h ALA 26 Cb 0.26 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 2k0p h ALA 26 CO -0.23 0.05 -0.12 0.93 0.00 0.00 0.00 179.25 179.88 2k0p h GLU 27 N 0.00 0.80 -0.35 0.00 5.08 -0.98 0.35 114.58 119.48 2k0p h GLU 27 Ca -0.00 -0.31 -0.16 0.00 -1.00 0.00 0.00 59.36 57.89 2k0p h GLU 27 Cb 0.07 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.27 2k0p h GLU 27 CO 0.00 0.93 -0.40 0.87 -1.00 0.00 0.00 179.01 179.42 2k0p h LYS 28 N 0.61 0.86 -0.65 2.33 1.57 -1.23 0.10 116.57 120.16 2k0p h LYS 28 Ca 0.10 -0.45 -0.08 0.00 -1.87 0.00 0.00 60.65 58.34 2k0p h LYS 28 Cb 0.65 0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.95 2k0p h LYS 28 CO 0.04 1.10 0.09 0.28 -0.57 0.00 0.00 179.45 180.39 2k0p h VAL 29 N 0.70 1.26 0.06 0.50 2.07 -1.06 -3.08 116.25 116.71 2k0p h VAL 29 Ca 0.05 -1.05 -0.24 0.00 0.82 0.00 0.00 66.70 66.28 2k0p h VAL 29 Cb 0.98 0.68 0.00 0.00 -1.52 0.00 0.00 31.29 31.43 2k0p h VAL 29 CO 0.09 0.39 -1.08 -0.26 0.02 0.00 0.00 177.57 176.74 2k0p h PHE 30 N 1.00 0.48 -0.49 1.57 0.04 -0.63 -2.14 116.94 116.78 2k0p h PHE 30 Ca 0.20 -0.30 0.04 0.00 2.80 0.00 0.00 57.97 60.70 2k0p h PHE 30 Cb 0.46 -0.04 -0.04 0.00 2.20 0.00 0.00 35.95 38.53 2k0p h PHE 30 CO 0.03 1.18 0.24 -0.22 -0.60 0.00 0.00 178.31 178.94 2k0p h LYS 31 N 0.13 0.46 -0.68 1.51 3.64 -1.07 -1.65 116.57 118.90 2k0p h LYS 31 Ca -0.10 -0.03 0.08 0.00 -1.27 0.00 0.00 60.65 59.33 2k0p h LYS 31 Cb 1.76 -0.10 -0.06 0.00 -0.41 0.00 0.00 32.23 33.41 2k0p h LYS 31 CO 0.18 0.30 0.35 0.37 -2.27 0.00 0.00 179.45 178.38 2k0p h GLN 32 N 0.47 0.61 -0.10 1.90 4.15 -1.43 -1.39 115.11 119.33 2k0p h GLN 32 Ca 0.22 -0.04 -0.17 0.00 0.77 0.00 0.00 58.65 59.43 2k0p h GLN 32 Cb 0.14 -0.14 0.01 0.00 0.21 0.00 0.00 27.48 27.70 2k0p h GLN 32 CO -0.16 0.40 -0.60 -0.92 -1.93 0.00 0.00 178.83 175.63 2k0p h TYR 33 N 0.63 0.79 0.30 3.99 3.20 -1.09 0.70 116.97 125.48 2k0p h TYR 33 Ca 0.32 -0.36 0.00 0.00 3.14 0.00 0.00 58.73 61.83 2k0p h TYR 33 Cb 0.27 -0.12 -0.02 0.00 1.54 0.00 0.00 36.73 38.40 2k0p h TYR 33 CO -0.10 1.16 -0.32 0.00 -1.64 0.00 0.00 178.16 177.27 2k0p h ALA 34 N 0.47 -0.66 0.00 1.82 0.00 -1.38 -1.15 119.26 118.36 2k0p h ALA 34 Ca -0.05 -0.10 -0.06 0.00 0.00 0.00 0.00 54.91 54.71 2k0p h ALA 34 Cb 1.25 0.46 -0.01 0.00 0.00 0.00 0.00 17.79 19.49 2k0p h ALA 34 CO 0.12 -0.91 -0.28 -0.91 0.00 0.00 0.00 179.25 177.28 2k0p h ASN 35 N -0.65 0.00 -0.57 0.00 2.35 -1.20 0.95 115.58 116.46 2k0p h ASN 35 Ca -0.01 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.70 2k0p h ASN 35 Cb 0.60 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.94 2k0p h ASN 35 CO -0.07 0.28 0.22 0.44 -1.65 0.00 0.00 177.43 176.65 2k0p h ASP 36 N 0.00 0.83 0.28 5.81 3.32 -0.66 -3.13 116.42 122.86 2k0p h ASP 36 Ca -0.00 -0.12 0.00 0.00 0.02 0.00 0.00 57.03 56.93 2k0p h ASP 36 Cb 0.50 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 39.83 2k0p h ASP 36 CO 0.04 0.76 -1.65 0.59 -1.72 0.00 0.00 179.24 177.26 2k0p n ASN 37 N -4.30 0.29 0.00 6.45 3.02 -0.45 -5.01 115.26 115.26 2k0p n ASN 37 Ca 0.05 0.03 0.00 0.00 -0.03 0.00 0.00 54.58 54.63 2k0p n ASN 37 Cb 0.19 1.49 0.00 0.00 -0.61 0.00 0.00 39.78 40.85 2k0p n ASN 37 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2k0p n GLY 38 N 1.26 1.43 3.21 7.41 0.00 0.19 -4.77 105.19 113.93 2k0p n GLY 38 Ca -0.02 -0.18 -0.44 0.00 0.00 0.00 0.00 46.02 45.38 2k0p n GLY 38 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2k0p n VAL 39 N 0.00 4.44 -2.91 1.61 0.31 -0.39 -4.84 118.33 116.55 2k0p n VAL 39 Ca 0.00 -4.84 -0.41 0.00 -0.01 0.00 0.00 64.34 59.08 2k0p n VAL 39 Cb 0.00 -2.41 -0.04 0.00 -0.91 0.00 0.00 33.84 30.48 2k0p n VAL 39 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2k0p s ASP 40 N 1.54 7.12 0.00 4.52 2.15 -1.26 -4.43 116.67 126.30 2k0p s ASP 40 Ca 0.39 1.35 0.00 0.00 0.43 0.00 0.00 52.55 54.72 2k0p s ASP 40 Cb 0.01 -2.47 0.00 0.00 -0.30 0.00 0.00 42.92 40.16 2k0p s ASP 40 CO 0.00 -0.21 0.00 0.61 -0.17 0.00 0.00 175.17 175.41 2k0p n GLY 41 N 3.08 -0.87 3.87 2.66 0.00 -1.26 -5.01 105.19 107.66 2k0p n GLY 41 Ca 0.02 -0.18 -0.36 0.00 0.00 0.00 0.00 46.02 45.50 2k0p n GLY 41 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2k0p s GLU 42 N -0.41 3.60 -0.17 1.61 2.02 -0.26 -4.89 118.70 120.20 2k0p s GLU 42 Ca 0.00 0.00 -0.07 0.00 0.02 0.00 0.00 54.97 54.92 2k0p s GLU 42 Cb 0.00 -3.14 -0.04 0.00 0.10 0.00 0.00 34.13 31.05 2k0p s GLU 42 CO 0.00 0.70 0.05 -1.58 0.02 0.00 0.00 175.26 174.45 2k0p s TRP 43 N -1.17 3.24 0.19 1.61 0.51 -1.26 -0.06 118.94 122.00 2k0p s TRP 43 Ca 0.23 0.06 0.10 0.00 -2.12 0.00 0.00 56.10 54.37 2k0p s TRP 43 Cb -0.13 -2.05 -0.04 0.00 -0.81 0.00 0.00 33.47 30.43 2k0p s TRP 43 CO 0.12 0.18 -0.21 0.95 -0.51 0.00 0.00 176.95 177.48 2k0p s THR 44 N 0.25 2.09 -0.04 2.01 -4.23 -0.33 -4.98 115.64 110.41 2k0p s THR 44 Ca 0.03 -2.02 -0.07 0.00 -1.18 0.00 0.00 61.69 58.46 2k0p s THR 44 Cb -0.12 -2.01 0.01 0.00 1.34 0.00 0.00 72.50 71.72 2k0p s THR 44 CO 0.01 -0.25 0.16 -0.47 -0.54 0.00 0.00 174.62 173.53 2k0p s TYR 45 N -1.97 -0.11 -0.07 3.99 5.04 -1.26 -0.87 117.35 122.09 2k0p s TYR 45 Ca 0.19 0.25 0.02 0.00 -2.44 0.00 0.00 57.07 55.09 2k0p s TYR 45 Cb -0.06 0.02 0.01 0.00 0.35 0.00 0.00 41.96 42.29 2k0p s TYR 45 CO 0.09 -0.17 -0.12 0.34 -1.34 0.00 0.00 175.55 174.35 2k0p s ASP 46 N -0.47 1.89 0.04 4.32 2.15 0.64 -5.01 116.67 120.24 2k0p s ASP 46 Ca -0.06 -0.31 -0.27 0.00 0.43 0.00 0.00 52.55 52.34 2k0p s ASP 46 Cb -0.04 -0.86 -0.17 0.00 -0.30 0.00 0.00 42.92 41.55 2k0p s ASP 46 CO 0.01 0.02 1.44 0.44 -0.17 0.00 0.00 175.17 176.91 2k0p h ASP 47 N 7.13 -0.39 0.11 -0.34 3.32 -1.97 -0.62 116.42 123.66 2k0p h ASP 47 Ca -0.31 -0.10 -0.04 0.00 0.02 0.00 0.00 57.03 56.60 2k0p h ASP 47 Cb 1.18 0.10 -0.01 0.00 0.22 0.00 0.00 39.33 40.82 2k0p h ASP 47 CO 0.47 -0.13 -0.16 0.00 -1.72 0.00 0.00 179.24 177.70 2k0p h ALA 48 N -0.06 1.59 -0.33 3.45 0.00 -1.98 -1.56 119.26 120.38 2k0p h ALA 48 Ca -0.05 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.67 2k0p h ALA 48 Cb 0.46 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.19 2k0p h ALA 48 CO 0.08 0.30 0.00 0.25 0.00 0.00 0.00 179.25 179.88 2k0p n THR 49 N -4.29 0.42 -3.68 0.00 -2.24 -1.25 -4.97 114.28 98.26 2k0p n THR 49 Ca -0.02 -0.63 -0.28 0.00 -2.27 0.00 0.00 64.05 60.86 2k0p n THR 49 Cb 0.26 0.81 0.02 0.00 -2.10 0.00 0.00 70.33 69.32 2k0p n THR 49 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2k0p n LYS 50 N 1.16 -4.98 -4.69 -0.78 5.02 -0.59 -4.88 118.16 108.42 2k0p n LYS 50 Ca 0.18 0.61 -0.33 0.00 -2.02 0.00 0.00 58.31 56.76 2k0p n LYS 50 Cb 0.53 -5.46 -0.16 0.00 -0.02 0.00 0.00 35.03 29.91 2k0p n LYS 50 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 2k0p s THR 51 N -3.20 2.25 -0.11 -0.18 2.01 -0.25 -1.34 115.64 114.83 2k0p s THR 51 Ca 0.56 -0.92 0.02 0.00 0.31 0.00 0.00 61.69 61.67 2k0p s THR 51 Cb -0.28 -1.91 -0.01 0.00 0.01 0.00 0.00 72.50 70.31 2k0p s THR 51 CO 0.70 0.54 -0.19 0.12 -0.69 0.00 0.00 174.62 175.09 2k0p s PHE 52 N 0.76 2.66 -0.12 4.92 2.19 -0.11 -0.26 117.98 128.02 2k0p s PHE 52 Ca -0.08 -0.82 0.00 0.00 0.33 0.00 0.00 56.93 56.37 2k0p s PHE 52 Cb -0.16 -1.75 -0.02 0.00 -1.31 0.00 0.00 43.02 39.78 2k0p s PHE 52 CO -0.00 -0.29 -0.13 0.99 1.83 0.00 0.00 175.22 177.62 2k0p s THR 53 N 0.26 3.09 -0.41 0.12 2.01 -0.05 -0.47 115.64 120.19 2k0p s THR 53 Ca -0.13 -0.66 -0.15 0.00 0.31 0.00 0.00 61.69 61.06 2k0p s THR 53 Cb -0.16 -2.29 0.02 0.00 0.01 0.00 0.00 72.50 70.08 2k0p s THR 53 CO 0.07 0.53 0.32 -0.69 -0.69 0.00 0.00 174.62 174.16 2k0p s VAL 54 N 0.21 5.24 0.01 3.82 1.01 0.15 -1.19 120.40 129.65 2k0p s VAL 54 Ca -0.08 -0.61 0.02 0.00 0.00 0.00 0.00 61.98 61.32 2k0p s VAL 54 Cb -0.15 -3.94 -0.04 0.00 0.00 0.00 0.00 36.38 32.25 2k0p s VAL 54 CO 0.05 -0.32 -0.02 -0.89 0.00 0.00 0.00 175.10 173.92 2k0p s THR 55 N 1.74 4.01 -2.00 3.92 2.01 0.92 -2.52 115.64 123.72 2k0p s THR 55 Ca 0.06 -0.70 0.13 0.00 0.31 0.00 0.00 61.69 61.49 2k0p s THR 55 Cb -0.19 -2.79 0.36 0.00 0.01 0.00 0.00 72.50 69.89 2k0p s THR 55 CO 0.10 0.35 1.18 -0.62 -0.69 0.00 0.00 174.62 174.95