#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 4.17 -0.15 0.03 0.74 -1.26 -5.06 119.66 118.14 1mpe s GLN 2 Ca 0.00 0.42 -0.04 0.00 0.05 0.00 0.00 55.36 55.79 1mpe s GLN 2 Cb 0.00 -3.57 -0.03 0.00 1.10 0.00 0.00 33.01 30.51 1mpe s GLN 2 CO 0.00 -0.18 -0.03 0.71 -0.55 0.00 0.00 175.29 175.24 1mpe s TYR 3 N 1.75 3.06 -0.21 1.67 2.02 -1.26 -5.09 117.35 119.28 1mpe s TYR 3 Ca 0.24 -0.21 -0.07 0.00 -0.37 0.00 0.00 57.07 56.66 1mpe s TYR 3 Cb -0.15 -1.95 -0.03 0.00 -0.40 0.00 0.00 41.96 39.42 1mpe s TYR 3 CO 0.10 0.04 0.05 0.15 -1.57 0.00 0.00 175.55 174.31 1mpe s LYS 4 N 0.23 3.78 -0.06 -0.62 1.02 -1.26 -5.08 119.74 117.74 1mpe s LYS 4 Ca -0.02 -0.43 -0.03 0.00 0.02 0.00 0.00 55.97 55.52 1mpe s LYS 4 Cb -0.14 -3.23 0.04 0.00 -0.52 0.00 0.00 37.83 33.98 1mpe s LYS 4 CO 0.03 0.04 0.12 0.08 -0.92 0.00 0.00 175.35 174.70 1mpe s VAL 5 N 0.98 -0.15 -0.31 3.17 1.01 -1.26 -5.12 120.40 118.72 1mpe s VAL 5 Ca 0.03 0.31 -0.18 0.00 0.00 0.00 0.00 61.98 62.14 1mpe s VAL 5 Cb -0.14 -0.23 -0.02 0.00 0.00 0.00 0.00 36.38 36.00 1mpe s VAL 5 CO 0.03 0.13 0.52 -0.63 0.00 0.00 0.00 175.10 175.14 1mpe s ILE 6 N 1.82 5.04 -0.23 2.22 1.01 -1.26 -5.04 121.20 124.76 1mpe s ILE 6 Ca -0.01 0.61 0.02 0.00 0.00 0.00 0.00 60.65 61.27 1mpe s ILE 6 Cb -0.12 -3.90 0.05 0.00 0.01 0.00 0.00 42.46 38.50 1mpe s ILE 6 CO -0.05 -0.07 -0.10 -0.76 0.00 0.00 0.00 174.94 173.96 1mpe s LEU 7 N 2.37 2.72 -0.35 2.97 1.02 -1.26 -5.05 118.68 121.10 1mpe s LEU 7 Ca 0.20 -1.10 0.07 0.00 0.02 0.00 0.00 54.13 53.31 1mpe s LEU 7 Cb -0.15 -1.34 0.19 0.00 0.02 0.00 0.00 46.19 44.90 1mpe s LEU 7 CO 0.11 -0.17 0.59 0.21 0.02 0.00 0.00 176.35 177.12 1mpe s ASN 8 N 1.29 -1.41 -0.25 2.29 2.47 -0.31 -4.37 114.94 114.65 1mpe s ASN 8 Ca -0.04 -0.32 -0.17 0.00 0.42 0.00 0.00 52.86 52.75 1mpe s ASN 8 Cb -0.18 1.92 -0.18 0.00 -1.45 0.00 0.00 41.25 41.36 1mpe s ASN 8 CO -0.07 -0.24 1.53 0.61 -3.72 0.00 0.00 177.10 175.21 1mpe n GLY 9 N 4.94 1.56 3.81 1.21 0.00 -0.63 -4.88 105.19 111.20 1mpe n GLY 9 Ca 0.08 -0.70 -0.32 0.00 0.00 0.00 0.00 46.02 45.08 1mpe n GLY 9 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1mpe s LYS 10 N 5.58 3.43 -0.02 1.61 2.20 -1.26 -5.06 119.74 126.21 1mpe s LYS 10 Ca 0.42 1.14 -0.02 0.00 -0.36 0.00 0.00 55.97 57.16 1mpe s LYS 10 Cb 0.10 -2.05 0.01 0.00 -1.51 0.00 0.00 37.83 34.38 1mpe s LYS 10 CO 0.15 -0.72 0.06 -0.08 -0.36 0.00 0.00 175.35 174.40 1mpe s THR 11 N -2.51 -0.01 -0.40 3.43 -1.32 -1.26 -5.07 115.64 108.49 1mpe s THR 11 Ca 0.62 0.03 0.10 0.00 -1.21 0.00 0.00 61.69 61.24 1mpe s THR 11 Cb -0.15 -0.10 0.34 0.00 -1.51 0.00 0.00 72.50 71.09 1mpe s THR 11 CO 0.37 0.01 0.86 0.00 -2.21 0.00 0.00 174.62 173.65 1mpe n LEU 12 N 3.23 -0.19 0.00 9.08 -0.00 -1.26 -4.98 117.00 122.88 1mpe n LEU 12 Ca -0.15 -4.59 0.00 0.00 -0.00 0.00 0.00 56.01 51.27 1mpe n LEU 12 Cb 0.58 0.79 0.00 0.00 -0.00 0.00 0.00 43.42 44.79 1mpe n LEU 12 CO 0.24 2.22 0.00 0.29 -0.00 0.00 0.00 177.39 180.14 1mpe n LYS 13 N 0.30 0.00 0.00 1.47 4.76 -1.26 -5.09 118.16 118.35 1mpe n LYS 13 Ca 0.19 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.63 1mpe n LYS 13 Cb 0.67 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.86 1mpe n LYS 13 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1mpe n GLY 14 N -0.33 1.04 3.39 0.72 0.00 -1.26 -5.07 105.19 103.67 1mpe n GLY 14 Ca 0.00 -0.07 -0.45 0.00 0.00 0.00 0.00 46.02 45.50 1mpe n GLY 14 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1mpe s GLU 15 N 0.00 3.64 0.02 1.61 2.02 -1.26 -4.85 118.70 119.88 1mpe s GLU 15 Ca 0.00 -2.19 -0.20 0.00 0.02 0.00 0.00 54.97 52.61 1mpe s GLU 15 Cb 0.00 -4.67 -0.19 0.00 0.10 0.00 0.00 34.13 29.37 1mpe s GLU 15 CO 0.00 -1.51 1.20 0.00 0.02 0.00 0.00 175.26 174.97 1mpe h THR 16 N 5.20 1.40 0.00 3.63 1.03 -2.01 -3.46 112.91 118.69 1mpe h THR 16 Ca 0.14 -1.77 0.00 0.00 -0.01 0.00 0.00 66.41 64.77 1mpe h THR 16 Cb 1.02 2.28 0.00 0.00 -1.07 0.00 0.00 68.15 70.38 1mpe h THR 16 CO 0.93 0.52 0.00 0.41 -0.01 0.00 0.00 175.52 177.37 1mpe n THR 17 N -4.34 0.00 -3.52 0.00 -1.04 -1.26 -4.68 114.28 99.44 1mpe n THR 17 Ca -0.08 0.00 -0.05 0.00 -2.04 0.00 0.00 64.05 61.87 1mpe n THR 17 Cb 0.54 0.00 0.01 0.00 -1.82 0.00 0.00 70.33 69.06 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 0.00 0.00 -3.87 12.58 -2.24 -1.26 -5.19 114.28 114.30 1mpe n THR 18 Ca 0.00 -0.63 0.00 0.00 -2.27 0.00 0.00 64.05 61.15 1mpe n THR 18 Cb 0.00 0.54 0.00 0.00 -2.10 0.00 0.00 70.33 68.77 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 -0.29 0.48 0.07 -0.78 1.02 -1.26 -5.08 120.64 114.80 1mpe n GLU 19 Ca -0.03 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.11 1mpe n GLU 19 Cb 0.31 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.73 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 -3.00 0.00 -1.56 0.62 0.00 -1.26 -4.99 120.51 110.33 1mpe n ALA 20 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 53.04 1mpe n ALA 20 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.43 1mpe n ALA 20 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 1mpe n VAL 21 N -2.77 4.40 -3.79 0.00 0.24 -1.26 -4.82 118.33 110.33 1mpe n VAL 21 Ca 0.00 -3.08 -0.34 0.00 -2.04 0.00 0.00 64.34 58.88 1mpe n VAL 21 Cb 0.00 -2.50 -0.05 0.00 -1.47 0.00 0.00 33.84 29.82 1mpe n VAL 21 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1mpe s ASP 22 N 1.88 6.46 0.21 -1.34 -1.08 -1.26 -1.16 116.67 120.38 1mpe s ASP 22 Ca 0.62 0.50 -0.10 0.00 -0.52 0.00 0.00 52.55 53.06 1mpe s ASP 22 Cb 0.17 -2.07 0.29 0.00 -1.46 0.00 0.00 42.92 39.85 1mpe s ASP 22 CO -0.07 0.24 1.71 0.00 0.52 0.00 0.00 175.17 177.57 1mpe h ALA 23 N 3.83 0.71 -0.13 3.66 0.00 -1.92 0.12 119.26 125.53 1mpe h ALA 23 Ca -0.49 0.12 -0.07 0.00 0.00 0.00 0.00 54.91 54.47 1mpe h ALA 23 Cb 1.19 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 19.13 1mpe h ALA 23 CO 0.68 -0.29 -0.24 0.00 0.00 0.00 0.00 179.25 179.39 1mpe h ALA 24 N 1.46 1.35 -0.68 0.00 0.00 -1.96 -2.71 119.26 116.72 1mpe h ALA 24 Ca 0.31 -0.29 -0.06 0.00 0.00 0.00 0.00 54.91 54.87 1mpe h ALA 24 Cb 0.45 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 1mpe h ALA 24 CO -0.38 0.45 0.18 1.15 0.00 0.00 0.00 179.25 180.64 1mpe h THR 25 N 0.21 1.26 0.07 0.00 2.02 -1.14 -1.66 112.91 113.67 1mpe h THR 25 Ca 0.03 -0.94 -0.00 0.00 0.77 0.00 0.00 66.41 66.27 1mpe h THR 25 Cb 0.55 0.57 0.00 0.00 -1.74 0.00 0.00 68.15 67.53 1mpe h THR 25 CO 0.04 0.36 -0.04 0.15 0.37 0.00 0.00 175.52 176.40 1mpe h PHE 26 N 1.01 -0.09 -0.28 3.16 3.57 -0.93 0.39 116.94 123.78 1mpe h PHE 26 Ca 0.22 -0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.77 1mpe h PHE 26 Cb 0.35 0.03 -0.05 0.00 2.79 0.00 0.00 35.95 39.07 1mpe h PHE 26 CO 0.03 0.20 -0.05 0.93 -2.23 0.00 0.00 178.31 177.18 1mpe h GLU 27 N -0.38 0.02 0.23 1.11 5.08 -1.42 0.53 114.58 119.75 1mpe h GLU 27 Ca -0.01 -0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.34 1mpe h GLU 27 Cb 0.33 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.58 1mpe h GLU 27 CO 0.02 0.01 -0.11 -0.22 -1.00 0.00 0.00 179.01 177.71 1mpe h LYS 28 N 0.02 -0.29 -0.37 2.33 3.64 -1.28 1.00 116.57 121.60 1mpe h LYS 28 Ca 0.13 0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.50 1mpe h LYS 28 Cb 0.20 0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.07 1mpe h LYS 28 CO -0.27 0.01 0.11 0.28 -2.27 0.00 0.00 179.45 177.31 1mpe h VAL 29 N -0.60 1.21 -0.41 2.00 2.07 -0.82 0.26 116.25 119.97 1mpe h VAL 29 Ca -0.03 -0.70 -0.12 0.00 0.82 0.00 0.00 66.70 66.66 1mpe h VAL 29 Cb 0.44 0.97 -0.01 0.00 -1.52 0.00 0.00 31.29 31.17 1mpe h VAL 29 CO 0.05 0.24 -0.23 0.58 0.02 0.00 0.00 177.57 178.24 1mpe h VAL 30 N 0.45 1.28 -0.12 2.57 2.07 0.01 0.20 116.25 122.72 1mpe h VAL 30 Ca 0.12 -1.38 -0.06 0.00 0.82 0.00 0.00 66.70 66.20 1mpe h VAL 30 Cb 0.26 1.28 -0.00 0.00 -1.52 0.00 0.00 31.29 31.31 1mpe h VAL 30 CO -0.00 0.46 -0.17 0.50 0.02 0.00 0.00 177.57 178.38 1mpe h LYS 31 N 0.69 0.32 -0.59 1.57 3.64 -0.73 -1.38 116.57 120.09 1mpe h LYS 31 Ca 0.09 -0.19 -0.04 0.00 -1.27 0.00 0.00 60.65 59.24 1mpe h LYS 31 Cb 0.79 0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.61 1mpe h LYS 31 CO 0.07 0.76 0.20 0.37 -2.27 0.00 0.00 179.45 178.58 1mpe h GLN 32 N -0.10 0.90 -0.25 1.90 5.75 -0.48 0.35 115.11 123.18 1mpe h GLN 32 Ca 0.01 -0.19 -0.02 0.00 -0.15 0.00 0.00 58.65 58.30 1mpe h GLN 32 Cb 0.73 -0.14 -0.01 0.00 1.07 0.00 0.00 27.48 29.13 1mpe h GLN 32 CO 0.04 0.80 0.07 0.35 -2.65 0.00 0.00 178.83 177.44 1mpe h PHE 33 N 0.83 0.42 0.00 3.99 3.57 -0.62 -3.19 116.94 121.93 1mpe h PHE 33 Ca 0.19 -0.04 -0.19 0.00 3.53 0.00 0.00 57.97 61.45 1mpe h PHE 33 Cb 0.26 -0.12 -0.03 0.00 2.79 0.00 0.00 35.95 38.85 1mpe h PHE 33 CO 0.02 0.47 -0.92 0.74 -2.23 0.00 0.00 178.31 176.38 1mpe h PHE 34 N 0.24 0.00 -0.50 0.41 0.04 -1.17 -3.24 116.94 112.72 1mpe h PHE 34 Ca 0.08 0.00 0.13 0.00 2.80 0.00 0.00 57.97 60.98 1mpe h PHE 34 Cb 0.25 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.38 1mpe h PHE 34 CO 0.01 0.92 0.36 -0.91 -0.60 0.00 0.00 178.31 178.09 1mpe h ASN 35 N 0.00 0.07 0.00 2.17 -0.26 -0.29 0.13 115.58 117.40 1mpe h ASN 35 Ca -0.01 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.73 1mpe h ASN 35 Cb 1.64 -0.01 0.00 0.00 -1.06 0.00 0.00 38.32 38.89 1mpe h ASN 35 CO 0.12 0.04 0.02 0.44 -1.06 0.00 0.00 177.43 176.99 1mpe h ASP 36 N 0.07 0.00 -0.01 5.81 3.32 -1.58 -1.46 116.42 122.57 1mpe h ASP 36 Ca 0.24 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.29 1mpe h ASP 36 Cb 0.86 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.41 1mpe h ASP 36 CO -0.02 0.00 -0.11 -0.46 -1.72 0.00 0.00 179.24 176.93 1mpe n ASN 37 N -2.66 1.55 0.00 6.45 0.23 0.43 -5.01 115.26 116.26 1mpe n ASN 37 Ca -0.02 -1.27 0.00 0.00 -0.53 0.00 0.00 54.58 52.75 1mpe n ASN 37 Cb 0.07 0.24 0.00 0.00 -2.08 0.00 0.00 39.78 38.01 1mpe n ASN 37 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1mpe n GLY 38 N 0.75 0.59 3.17 4.83 0.00 -0.55 -5.13 105.19 108.85 1mpe n GLY 38 Ca 0.05 -0.13 -0.25 0.00 0.00 0.00 0.00 46.02 45.69 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 -1.08 1.40 0.17 1.61 1.01 -1.23 -5.01 120.40 117.26 1mpe s VAL 39 Ca 0.00 -0.75 -0.02 0.00 0.00 0.00 0.00 61.98 61.21 1mpe s VAL 39 Cb 0.00 -1.17 0.01 0.00 0.00 0.00 0.00 36.38 35.22 1mpe s VAL 39 CO 0.00 0.40 0.25 0.47 0.00 0.00 0.00 175.10 176.22 1mpe n ASP 40 N 2.70 -0.72 0.00 3.32 8.00 -1.26 -4.21 116.55 124.38 1mpe n ASP 40 Ca -0.15 -1.85 0.00 0.00 0.71 0.00 0.00 54.79 53.50 1mpe n ASP 40 Cb 0.54 1.30 0.00 0.00 -0.02 0.00 0.00 41.12 42.93 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 -0.26 0.17 3.22 0.44 0.00 -1.26 -5.07 105.19 102.42 1mpe n GLY 41 Ca -0.01 -1.96 -0.11 0.00 0.00 0.00 0.00 46.02 43.95 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 0.77 -0.30 1.61 2.02 -1.26 -5.12 118.70 116.42 1mpe s GLU 42 Ca 0.00 -0.58 -0.29 0.00 0.02 0.00 0.00 54.97 54.12 1mpe s GLU 42 Cb 0.00 0.33 -0.00 0.00 0.10 0.00 0.00 34.13 34.55 1mpe s GLU 42 CO 0.00 -0.24 1.40 -1.58 0.02 0.00 0.00 175.26 174.87 1mpe s TRP 43 N -2.64 2.48 -0.03 1.61 0.52 -1.26 -5.00 118.94 114.62 1mpe s TRP 43 Ca -0.04 0.76 -0.00 0.00 0.02 0.00 0.00 56.10 56.83 1mpe s TRP 43 Cb -0.01 -3.99 -0.04 0.00 -1.15 0.00 0.00 33.47 28.29 1mpe s TRP 43 CO -0.04 -2.07 0.01 0.95 0.02 0.00 0.00 176.95 175.82 1mpe s THR 44 N 4.77 4.31 0.31 2.01 -4.23 -1.26 -5.09 115.64 116.47 1mpe s THR 44 Ca 0.61 -0.44 -0.29 0.00 -1.18 0.00 0.00 61.69 60.39 1mpe s THR 44 Cb -0.18 -2.89 -0.10 0.00 1.34 0.00 0.00 72.50 70.67 1mpe s THR 44 CO 0.26 0.45 1.18 -0.31 -0.54 0.00 0.00 174.62 175.66 1mpe s TYR 45 N -1.03 3.34 0.78 3.99 2.02 -1.26 -5.01 117.35 120.17 1mpe s TYR 45 Ca 0.18 1.59 -0.11 0.00 -0.37 0.00 0.00 57.07 58.36 1mpe s TYR 45 Cb -0.12 -3.43 0.06 0.00 -0.40 0.00 0.00 41.96 38.07 1mpe s TYR 45 CO 0.08 -1.08 1.09 -0.51 -1.57 0.00 0.00 175.55 173.55 1mpe s ASP 46 N -0.79 4.53 0.18 2.29 1.11 -1.26 -4.96 116.67 117.77 1mpe s ASP 46 Ca 0.48 1.71 -0.31 0.00 0.18 0.00 0.00 52.55 54.61 1mpe s ASP 46 Cb -0.34 -2.44 -0.09 0.00 1.07 0.00 0.00 42.92 41.11 1mpe s ASP 46 CO 0.45 -2.00 1.46 -1.81 1.18 0.00 0.00 175.17 174.45 1mpe s ASP 47 N -3.50 6.69 0.34 0.27 1.01 -1.26 -4.94 116.67 115.28 1mpe s ASP 47 Ca 0.61 2.54 -0.28 0.00 0.71 0.00 0.00 52.55 56.13 1mpe s ASP 47 Cb -0.16 -2.60 -0.12 0.00 1.01 0.00 0.00 42.92 41.04 1mpe s ASP 47 CO 0.56 -0.72 1.22 0.00 0.21 0.00 0.00 175.17 176.44 1mpe n ALA 48 N 3.40 0.94 -2.90 5.23 0.00 -1.26 -5.01 120.51 120.92 1mpe n ALA 48 Ca 0.11 0.35 -0.12 0.00 0.00 0.00 0.00 53.44 53.78 1mpe n ALA 48 Cb 0.40 -2.20 -0.11 0.00 0.00 0.00 0.00 19.45 17.54 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 -1.10 0.40 -0.05 0.00 2.01 -1.26 -5.16 115.64 110.49 1mpe s THR 49 Ca 0.57 -1.03 0.06 0.00 0.31 0.00 0.00 61.69 61.59 1mpe s THR 49 Cb -0.59 -0.50 -0.02 0.00 0.01 0.00 0.00 72.50 71.40 1mpe s THR 49 CO 0.61 -0.42 -0.21 -0.54 -0.69 0.00 0.00 174.62 173.37 1mpe s LYS 50 N -1.55 2.44 -0.05 4.92 1.02 -1.26 -5.13 119.74 120.13 1mpe s LYS 50 Ca -0.12 -0.84 0.04 0.00 0.02 0.00 0.00 55.97 55.07 1mpe s LYS 50 Cb -0.10 -2.22 0.00 0.00 -0.52 0.00 0.00 37.83 34.99 1mpe s LYS 50 CO -0.00 0.50 -0.17 0.99 -0.92 0.00 0.00 175.35 175.75 1mpe s THR 51 N -0.45 1.43 -0.19 2.17 2.01 -1.26 -5.11 115.64 114.24 1mpe s THR 51 Ca 0.05 -0.70 -0.29 0.00 0.31 0.00 0.00 61.69 61.07 1mpe s THR 51 Cb -0.12 -1.25 0.00 0.00 0.01 0.00 0.00 72.50 71.15 1mpe s THR 51 CO 0.01 0.42 1.00 0.12 -0.69 0.00 0.00 174.62 175.48 1mpe s PHE 52 N 0.19 3.40 -0.25 4.92 5.36 -1.26 -5.03 117.98 125.31 1mpe s PHE 52 Ca -0.07 1.47 -0.11 0.00 -0.96 0.00 0.00 56.93 57.25 1mpe s PHE 52 Cb -0.13 -3.21 -0.05 0.00 -0.34 0.00 0.00 43.02 39.29 1mpe s PHE 52 CO 0.03 -0.38 0.19 0.99 -1.46 0.00 0.00 175.22 174.59 1mpe s THR 53 N 2.73 5.33 0.69 0.12 2.01 -1.26 -5.08 115.64 120.19 1mpe s THR 53 Ca 0.44 0.22 -0.14 0.00 0.31 0.00 0.00 61.69 62.52 1mpe s THR 53 Cb -0.16 -3.53 0.02 0.00 0.01 0.00 0.00 72.50 68.84 1mpe s THR 53 CO 0.10 0.30 1.11 -0.69 -0.69 0.00 0.00 174.62 174.75 1mpe s VAL 54 N 1.32 3.23 0.00 3.82 1.01 -1.26 -4.95 120.40 123.57 1mpe s VAL 54 Ca 0.08 0.52 0.00 0.00 0.00 0.00 0.00 61.98 62.59 1mpe s VAL 54 Cb -0.14 -3.03 0.00 0.00 0.00 0.00 0.00 36.38 33.20 1mpe s VAL 54 CO 0.07 -0.40 0.00 0.41 0.00 0.00 0.00 175.10 175.17 1mpe n THR 55 N -2.74 0.00 -0.62 3.92 -1.04 -1.26 -5.34 114.28 107.20 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 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.03 1mpe n THR 55 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81