#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mpe s GLN 2 N 0.00 4.23 -0.18 2.12 0.74 -1.26 -5.05 119.66 120.27 1mpe s GLN 2 Ca 0.00 0.71 -0.05 0.00 0.05 0.00 0.00 55.36 56.07 1mpe s GLN 2 Cb 0.00 -3.58 -0.03 0.00 1.10 0.00 0.00 33.01 30.50 1mpe s GLN 2 CO 0.00 -0.26 -0.01 0.71 -0.55 0.00 0.00 175.29 175.17 1mpe s TYR 3 N 1.98 3.05 -0.20 1.67 2.02 -1.26 -5.09 117.35 119.52 1mpe s TYR 3 Ca 0.31 -0.32 -0.06 0.00 -0.37 0.00 0.00 57.07 56.63 1mpe s TYR 3 Cb -0.16 -2.02 -0.03 0.00 -0.40 0.00 0.00 41.96 39.35 1mpe s TYR 3 CO 0.11 -0.09 0.03 0.15 -1.57 0.00 0.00 175.55 174.18 1mpe s LYS 4 N 0.61 3.73 -0.05 -0.62 1.02 -1.26 -5.09 119.74 118.07 1mpe s LYS 4 Ca -0.01 -0.46 -0.02 0.00 0.02 0.00 0.00 55.97 55.50 1mpe s LYS 4 Cb -0.14 -3.16 0.04 0.00 -0.52 0.00 0.00 37.83 34.04 1mpe s LYS 4 CO 0.02 0.05 0.11 0.08 -0.92 0.00 0.00 175.35 174.70 1mpe s VAL 5 N 0.92 -0.10 -0.28 3.17 1.01 -1.26 -5.13 120.40 118.74 1mpe s VAL 5 Ca 0.02 0.25 -0.17 0.00 0.00 0.00 0.00 61.98 62.08 1mpe s VAL 5 Cb -0.14 -0.20 -0.03 0.00 0.00 0.00 0.00 36.38 36.01 1mpe s VAL 5 CO 0.02 0.10 0.46 -0.63 0.00 0.00 0.00 175.10 175.06 1mpe s ILE 6 N 1.44 5.10 -0.13 2.22 1.01 -1.26 -5.05 121.20 124.54 1mpe s ILE 6 Ca -0.06 0.66 -0.02 0.00 0.00 0.00 0.00 60.65 61.24 1mpe s ILE 6 Cb -0.12 -3.80 0.04 0.00 0.01 0.00 0.00 42.46 38.59 1mpe s ILE 6 CO -0.05 0.06 0.01 -0.22 0.00 0.00 0.00 174.94 174.73 1mpe s LEU 7 N 2.23 0.93 0.26 2.97 2.96 -1.26 -4.97 118.68 121.81 1mpe s LEU 7 Ca 0.18 -0.43 0.00 0.00 -0.22 0.00 0.00 54.13 53.66 1mpe s LEU 7 Cb -0.16 -0.56 0.00 0.00 0.50 0.00 0.00 46.19 45.97 1mpe s LEU 7 CO 0.10 -0.23 0.00 -3.20 -1.32 0.00 0.00 176.35 171.70 1mpe n ASN 8 N 5.08 -1.64 0.00 3.68 2.85 -1.07 -4.06 115.26 120.10 1mpe n ASN 8 Ca -0.09 0.49 0.00 0.00 -0.11 0.00 0.00 54.58 54.87 1mpe n ASN 8 Cb 0.49 1.68 0.00 0.00 1.24 0.00 0.00 39.78 43.19 1mpe n ASN 8 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1mpe n GLY 9 N -0.14 -1.73 2.68 8.20 0.00 -1.15 -4.31 105.19 108.74 1mpe n GLY 9 Ca 0.00 0.59 -0.04 0.00 0.00 0.00 0.00 46.02 46.57 1mpe n GLY 9 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1mpe n LYS 10 N 0.00 -2.69 -2.83 1.61 4.81 -1.26 -4.83 118.16 112.97 1mpe n LYS 10 Ca 0.00 2.29 -0.36 0.00 -0.87 0.00 0.00 58.31 59.37 1mpe n LYS 10 Cb 0.00 -5.21 -0.06 0.00 0.02 0.00 0.00 35.03 29.77 1mpe n LYS 10 CO 0.00 0.00 0.00 0.95 1.17 0.00 0.00 177.40 179.52 1mpe s THR 11 N -2.02 4.28 0.01 3.15 -4.23 -1.26 -4.90 115.64 110.68 1mpe s THR 11 Ca 0.12 1.70 0.05 0.00 -1.18 0.00 0.00 61.69 62.38 1mpe s THR 11 Cb -0.03 -3.92 -0.24 0.00 1.34 0.00 0.00 72.50 69.64 1mpe s THR 11 CO 0.72 0.07 0.88 -0.07 -0.54 0.00 0.00 174.62 175.67 1mpe h LEU 12 N 2.98 0.14 -1.05 4.79 3.38 -1.95 -3.48 115.31 120.12 1mpe h LEU 12 Ca -0.47 -0.21 -0.39 0.00 0.09 0.00 0.00 57.88 56.90 1mpe h LEU 12 Cb 1.19 -0.05 0.14 0.00 0.09 0.00 0.00 40.66 42.03 1mpe h LEU 12 CO 0.64 1.18 -0.70 1.17 0.09 0.00 0.00 178.44 180.82 1mpe n LYS 13 N -3.28 -7.59 0.00 1.13 3.00 -1.26 -4.84 118.16 105.32 1mpe n LYS 13 Ca -0.13 0.83 0.00 0.00 -0.00 0.00 0.00 58.31 59.01 1mpe n LYS 13 Cb 1.02 -5.87 0.00 0.00 0.00 0.00 0.00 35.03 30.18 1mpe n LYS 13 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1mpe n GLY 14 N -1.80 -0.74 2.44 3.14 0.00 -1.26 -5.15 105.19 101.82 1mpe n GLY 14 Ca -0.06 0.29 -0.22 0.00 0.00 0.00 0.00 46.02 46.03 1mpe n GLY 14 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1mpe n GLU 15 N -0.54 -3.31 -3.86 1.61 1.02 -1.26 -5.00 120.64 109.30 1mpe n GLU 15 Ca 0.00 -1.17 -0.34 0.00 -0.02 0.00 0.00 57.16 55.63 1mpe n GLU 15 Cb 0.00 -1.28 -0.13 0.00 -0.02 0.00 0.00 31.44 30.01 1mpe n GLU 15 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 1mpe s THR 16 N -2.14 2.97 0.30 2.62 2.01 -1.26 -4.79 115.64 115.36 1mpe s THR 16 Ca 0.50 -2.47 0.00 0.00 0.31 0.00 0.00 61.69 60.03 1mpe s THR 16 Cb -0.07 -3.06 0.00 0.00 0.01 0.00 0.00 72.50 69.39 1mpe s THR 16 CO 0.40 -0.71 0.00 0.41 -0.69 0.00 0.00 174.62 174.03 1mpe n THR 17 N 4.10 0.00 -2.45 -0.82 -1.04 -1.26 -5.14 114.28 107.67 1mpe n THR 17 Ca 0.02 0.00 -0.02 0.00 -2.04 0.00 0.00 64.05 62.02 1mpe n THR 17 Cb 0.40 -0.12 -0.01 0.00 -1.82 0.00 0.00 70.33 68.78 1mpe n THR 17 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 1mpe n THR 18 N -3.16-10.05 -0.71 12.58 -2.24 -1.26 -4.98 114.28 104.46 1mpe n THR 18 Ca 0.00 2.28 -0.24 0.00 -2.27 0.00 0.00 64.05 63.82 1mpe n THR 18 Cb 0.00 -5.19 0.21 0.00 -2.10 0.00 0.00 70.33 63.25 1mpe n THR 18 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1mpe n GLU 19 N 1.91 -3.18 -2.77 -0.78 1.02 -1.26 -5.02 120.64 110.56 1mpe n GLU 19 Ca -0.13 -1.31 -0.03 0.00 -0.02 0.00 0.00 57.16 55.67 1mpe n GLU 19 Cb 0.20 -1.35 0.05 0.00 -0.02 0.00 0.00 31.44 30.31 1mpe n GLU 19 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1mpe n ALA 20 N -4.71 2.87 -3.02 0.62 0.00 -1.26 -5.03 120.51 109.98 1mpe n ALA 20 Ca -0.16 -2.82 -0.44 0.00 0.00 0.00 0.00 53.44 50.02 1mpe n ALA 20 Cb 0.47 -0.90 -0.02 0.00 0.00 0.00 0.00 19.45 19.00 1mpe n ALA 20 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1mpe s VAL 21 N -3.41 4.99 -0.07 0.00 -7.23 -1.26 -5.00 120.40 108.42 1mpe s VAL 21 Ca 0.26 -1.98 -0.04 0.00 -1.81 0.00 0.00 61.98 58.42 1mpe s VAL 21 Cb 0.37 -4.74 -0.04 0.00 0.56 0.00 0.00 36.38 32.54 1mpe s VAL 21 CO -0.01 -1.43 0.10 -0.62 -0.31 0.00 0.00 175.10 172.83 1mpe s ASP 22 N 3.15 5.97 0.27 4.85 2.15 -1.26 -2.61 116.67 129.19 1mpe s ASP 22 Ca 0.32 0.30 -0.01 0.00 0.43 0.00 0.00 52.55 53.59 1mpe s ASP 22 Cb -0.06 -1.83 0.51 0.00 -0.30 0.00 0.00 42.92 41.24 1mpe s ASP 22 CO -0.08 0.35 1.81 0.00 -0.17 0.00 0.00 175.17 177.08 1mpe h ALA 23 N 4.61 1.37 -0.17 3.66 0.00 -1.80 0.16 119.26 127.10 1mpe h ALA 23 Ca -0.52 0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.36 1mpe h ALA 23 Cb 1.20 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 1mpe h ALA 23 CO 0.60 0.12 -0.22 0.00 0.00 0.00 0.00 179.25 179.75 1mpe h ALA 24 N 1.52 1.31 -0.49 0.00 0.00 -1.94 -2.47 119.26 117.19 1mpe h ALA 24 Ca 0.46 -0.29 -0.04 0.00 0.00 0.00 0.00 54.91 55.05 1mpe h ALA 24 Cb 0.49 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 1mpe h ALA 24 CO -0.28 0.46 0.15 1.15 0.00 0.00 0.00 179.25 180.73 1mpe h THR 25 N 0.27 1.20 0.02 0.00 2.02 -1.36 -2.18 112.91 112.87 1mpe h THR 25 Ca 0.05 -0.67 -0.00 0.00 0.77 0.00 0.00 66.41 66.55 1mpe h THR 25 Cb 0.55 0.67 0.00 0.00 -1.74 0.00 0.00 68.15 67.62 1mpe h THR 25 CO 0.04 0.25 -0.01 0.15 0.37 0.00 0.00 175.52 176.32 1mpe h PHE 26 N 0.70 -0.02 -0.15 3.16 3.57 -1.04 -1.38 116.94 121.79 1mpe h PHE 26 Ca 0.16 -0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.70 1mpe h PHE 26 Cb 0.21 0.01 -0.04 0.00 2.79 0.00 0.00 35.95 38.92 1mpe h PHE 26 CO 0.01 0.24 -0.07 0.93 -2.23 0.00 0.00 178.31 177.19 1mpe h GLU 27 N -0.28 -0.06 -0.11 1.11 5.08 -1.32 -0.40 114.58 118.60 1mpe h GLU 27 Ca -0.00 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 1mpe h GLU 27 Cb 0.27 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.53 1mpe h GLU 27 CO 0.00 -0.04 -0.02 -0.22 -1.00 0.00 0.00 179.01 177.73 1mpe h LYS 28 N -0.06 0.22 -0.83 2.33 3.64 -1.43 -1.99 116.57 118.44 1mpe h LYS 28 Ca 0.08 -0.08 -0.03 0.00 -1.27 0.00 0.00 60.65 59.36 1mpe h LYS 28 Cb 0.18 -0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 31.95 1mpe h LYS 28 CO -0.19 0.51 0.42 0.28 -2.27 0.00 0.00 179.45 178.20 1mpe h VAL 29 N -0.10 1.25 -0.19 2.00 2.07 -1.19 -0.72 116.25 119.38 1mpe h VAL 29 Ca 0.03 -0.69 -0.08 0.00 0.82 0.00 0.00 66.70 66.78 1mpe h VAL 29 Cb 0.43 0.18 -0.00 0.00 -1.52 0.00 0.00 31.29 30.37 1mpe h VAL 29 CO 0.01 0.30 -0.18 0.58 0.02 0.00 0.00 177.57 178.30 1mpe h VAL 30 N 1.18 1.33 -0.32 2.57 2.07 -1.09 -0.07 116.25 121.92 1mpe h VAL 30 Ca 0.29 -1.34 -0.03 0.00 0.82 0.00 0.00 66.70 66.44 1mpe h VAL 30 Cb 0.09 1.79 -0.01 0.00 -1.52 0.00 0.00 31.29 31.64 1mpe h VAL 30 CO -0.04 0.40 0.08 0.50 0.02 0.00 0.00 177.57 178.53 1mpe h LYS 31 N 0.11 0.51 -0.43 1.57 3.64 -1.28 0.21 116.57 120.90 1mpe h LYS 31 Ca 0.03 -0.12 -0.04 0.00 -1.27 0.00 0.00 60.65 59.25 1mpe h LYS 31 Cb 0.72 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.46 1mpe h LYS 31 CO 0.05 0.58 0.13 0.37 -2.27 0.00 0.00 179.45 178.30 1mpe h GLN 32 N 0.35 0.67 -0.15 1.90 5.75 -1.16 0.53 115.11 123.00 1mpe h GLN 32 Ca 0.10 -0.15 -0.03 0.00 -0.15 0.00 0.00 58.65 58.42 1mpe h GLN 32 Cb 0.30 -0.10 -0.00 0.00 1.07 0.00 0.00 27.48 28.75 1mpe h GLN 32 CO 0.00 0.66 -0.04 0.35 -2.65 0.00 0.00 178.83 177.15 1mpe h PHE 33 N 0.56 0.32 0.02 3.99 3.57 -0.90 -3.28 116.94 121.22 1mpe h PHE 33 Ca 0.14 -0.07 -0.20 0.00 3.53 0.00 0.00 57.97 61.37 1mpe h PHE 33 Cb 0.27 -0.08 -0.02 0.00 2.79 0.00 0.00 35.95 38.92 1mpe h PHE 33 CO 0.01 0.57 -0.93 0.74 -2.23 0.00 0.00 178.31 176.47 1mpe h PHE 34 N -0.02 0.21 -0.65 0.41 0.04 -0.56 -3.23 116.94 113.15 1mpe h PHE 34 Ca 0.04 -0.13 0.18 0.00 2.80 0.00 0.00 57.97 60.86 1mpe h PHE 34 Cb 0.47 -0.02 -0.03 0.00 2.20 0.00 0.00 35.95 38.57 1mpe h PHE 34 CO 0.05 0.99 0.46 -0.91 -0.60 0.00 0.00 178.31 178.30 1mpe h ASN 35 N 0.06 0.06 0.18 2.17 -0.26 0.00 0.34 115.58 118.14 1mpe h ASN 35 Ca -0.04 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.70 1mpe h ASN 35 Cb 1.60 -0.01 0.00 0.00 -1.06 0.00 0.00 38.32 38.85 1mpe h ASN 35 CO 0.14 0.03 0.00 0.44 -1.06 0.00 0.00 177.43 176.97 1mpe h ASP 36 N 0.06 0.00 0.00 5.81 3.32 -1.62 -2.05 116.42 121.95 1mpe h ASP 36 Ca 0.31 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.35 1mpe h ASP 36 Cb 1.15 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.70 1mpe h ASP 36 CO -0.02 0.00 -1.94 0.59 -1.72 0.00 0.00 179.24 176.15 1mpe n ASN 37 N -2.84 0.39 0.00 6.45 3.02 0.12 -4.98 115.26 117.41 1mpe n ASN 37 Ca -0.02 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.53 1mpe n ASN 37 Cb 0.10 1.88 0.00 0.00 -0.61 0.00 0.00 39.78 41.16 1mpe n ASN 37 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1mpe n GLY 38 N 1.38 1.33 3.82 7.41 0.00 -0.77 -5.13 105.19 113.22 1mpe n GLY 38 Ca -0.05 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.61 1mpe n GLY 38 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1mpe s VAL 39 N -1.53 4.72 0.35 1.61 1.01 -1.15 -4.99 120.40 120.41 1mpe s VAL 39 Ca 0.00 1.10 -0.09 0.00 0.00 0.00 0.00 61.98 62.99 1mpe s VAL 39 Cb 0.00 -3.83 0.04 0.00 0.00 0.00 0.00 36.38 32.59 1mpe s VAL 39 CO 0.00 0.32 0.62 0.47 0.00 0.00 0.00 175.10 176.51 1mpe n ASP 40 N 1.04 -1.79 0.00 3.32 8.00 -1.26 -4.10 116.55 121.76 1mpe n ASP 40 Ca -0.06 -2.56 0.00 0.00 0.71 0.00 0.00 54.79 52.88 1mpe n ASP 40 Cb 0.51 3.07 0.00 0.00 -0.02 0.00 0.00 41.12 44.68 1mpe n ASP 40 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1mpe n GLY 41 N -0.50 0.17 3.23 0.44 0.00 -1.26 -5.07 105.19 102.20 1mpe n GLY 41 Ca -0.05 -1.93 -0.11 0.00 0.00 0.00 0.00 46.02 43.93 1mpe n GLY 41 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1mpe s GLU 42 N 0.00 0.81 -0.07 1.61 2.02 -1.26 -5.13 118.70 116.68 1mpe s GLU 42 Ca 0.00 -0.64 -0.30 0.00 0.02 0.00 0.00 54.97 54.05 1mpe s GLU 42 Cb 0.00 0.34 -0.04 0.00 0.10 0.00 0.00 34.13 34.54 1mpe s GLU 42 CO 0.00 -0.26 1.37 -1.58 0.02 0.00 0.00 175.26 174.81 1mpe s TRP 43 N -2.92 2.75 -0.06 1.61 0.52 -1.26 -5.01 118.94 114.57 1mpe s TRP 43 Ca -0.02 0.83 0.04 0.00 0.02 0.00 0.00 56.10 56.97 1mpe s TRP 43 Cb 0.00 -3.62 -0.02 0.00 -1.15 0.00 0.00 33.47 28.69 1mpe s TRP 43 CO -0.06 -2.26 -0.15 0.95 0.02 0.00 0.00 176.95 175.44 1mpe s THR 44 N 3.04 2.95 0.35 2.01 -4.23 -1.26 -5.11 115.64 113.39 1mpe s THR 44 Ca 0.61 -0.76 -0.27 0.00 -1.18 0.00 0.00 61.69 60.09 1mpe s THR 44 Cb -0.27 -2.15 -0.09 0.00 1.34 0.00 0.00 72.50 71.32 1mpe s THR 44 CO 0.22 0.58 1.16 -0.31 -0.54 0.00 0.00 174.62 175.74 1mpe s TYR 45 N -0.57 3.24 0.74 3.99 2.02 -1.26 -5.01 117.35 120.49 1mpe s TYR 45 Ca 0.08 1.58 -0.11 0.00 -0.37 0.00 0.00 57.07 58.25 1mpe s TYR 45 Cb -0.11 -3.39 0.04 0.00 -0.40 0.00 0.00 41.96 38.09 1mpe s TYR 45 CO 0.01 -1.11 1.08 -0.51 -1.57 0.00 0.00 175.55 173.45 1mpe s ASP 46 N -0.97 4.82 0.24 2.29 1.11 -1.26 -4.97 116.67 117.93 1mpe s ASP 46 Ca 0.52 1.79 -0.30 0.00 0.18 0.00 0.00 52.55 54.74 1mpe s ASP 46 Cb -0.32 -2.52 -0.10 0.00 1.07 0.00 0.00 42.92 41.06 1mpe s ASP 46 CO 0.41 -1.82 1.39 -1.81 1.18 0.00 0.00 175.17 174.52 1mpe s ASP 47 N -3.38 6.74 0.36 0.27 1.11 -1.26 -4.94 116.67 115.57 1mpe s ASP 47 Ca 0.61 2.58 -0.27 0.00 0.18 0.00 0.00 52.55 55.65 1mpe s ASP 47 Cb -0.17 -2.62 -0.12 0.00 1.07 0.00 0.00 42.92 41.09 1mpe s ASP 47 CO 0.53 -0.63 1.27 0.00 1.18 0.00 0.00 175.17 177.52 1mpe n ALA 48 N 2.33 1.24 -2.42 5.23 0.00 -1.26 -5.02 120.51 120.61 1mpe n ALA 48 Ca 0.06 0.34 -0.13 0.00 0.00 0.00 0.00 53.44 53.70 1mpe n ALA 48 Cb 0.41 -2.25 -0.11 0.00 0.00 0.00 0.00 19.45 17.51 1mpe n ALA 48 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1mpe s THR 49 N -1.12 0.86 0.08 0.00 2.01 -1.26 -5.16 115.64 111.04 1mpe s THR 49 Ca 0.57 -1.70 0.10 0.00 0.31 0.00 0.00 61.69 60.97 1mpe s THR 49 Cb -0.56 -1.41 -0.03 0.00 0.01 0.00 0.00 72.50 70.51 1mpe s THR 49 CO 0.61 -0.64 -0.26 -0.54 -0.69 0.00 0.00 174.62 173.10 1mpe s LYS 50 N -3.02 1.63 -0.03 4.92 1.02 -1.26 -5.13 119.74 117.87 1mpe s LYS 50 Ca 0.07 -1.19 0.00 0.00 0.02 0.00 0.00 55.97 54.87 1mpe s LYS 50 Cb -0.01 -1.92 0.03 0.00 -0.52 0.00 0.00 37.83 35.41 1mpe s LYS 50 CO -0.01 0.48 0.01 0.99 -0.92 0.00 0.00 175.35 175.90 1mpe s THR 51 N -0.90 0.09 -0.21 2.17 2.01 -1.26 -5.13 115.64 112.41 1mpe s THR 51 Ca 0.12 0.14 -0.28 0.00 0.31 0.00 0.00 61.69 61.99 1mpe s THR 51 Cb -0.10 -0.20 0.00 0.00 0.01 0.00 0.00 72.50 72.21 1mpe s THR 51 CO 0.03 0.13 0.98 0.12 -0.69 0.00 0.00 174.62 175.19 1mpe s PHE 52 N 1.09 3.37 -0.22 4.92 5.36 -1.26 -5.03 117.98 126.22 1mpe s PHE 52 Ca -0.09 1.41 -0.15 0.00 -0.96 0.00 0.00 56.93 57.13 1mpe s PHE 52 Cb -0.13 -3.19 -0.04 0.00 -0.34 0.00 0.00 43.02 39.32 1mpe s PHE 52 CO -0.02 -0.40 0.39 0.99 -1.46 0.00 0.00 175.22 174.71 1mpe s THR 53 N 2.85 5.20 0.68 0.12 2.01 -1.26 -5.07 115.64 120.17 1mpe s THR 53 Ca 0.42 0.67 -0.14 0.00 0.31 0.00 0.00 61.69 62.95 1mpe s THR 53 Cb -0.16 -3.72 0.01 0.00 0.01 0.00 0.00 72.50 68.65 1mpe s THR 53 CO 0.09 0.24 1.09 -0.69 -0.69 0.00 0.00 174.62 174.66 1mpe s VAL 54 N 1.44 3.40 0.03 3.82 1.01 -1.26 -4.96 120.40 123.88 1mpe s VAL 54 Ca 0.18 0.59 0.00 0.00 0.00 0.00 0.00 61.98 62.75 1mpe s VAL 54 Cb -0.15 -3.12 0.00 0.00 0.00 0.00 0.00 36.38 33.11 1mpe s VAL 54 CO 0.08 -0.46 0.00 0.41 0.00 0.00 0.00 175.10 175.13 1mpe n THR 55 N -2.67 0.00 -0.48 3.92 -1.04 -1.26 -5.34 114.28 107.41 1mpe n THR 55 Ca 0.10 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.11 1mpe n THR 55 Cb 0.52 -0.02 0.00 0.00 -1.82 0.00 0.00 70.33 69.02 1mpe n THR 55 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81