#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 4.22 -0.13 0.03 2.00 -1.26 -5.06 119.66 119.46 1mpe s GLN 2 Ca 0.00 0.60 -0.02 0.00 -2.00 0.00 0.00 55.36 53.94 1mpe s GLN 2 Cb 0.00 -3.57 -0.03 0.00 0.80 0.00 0.00 33.01 30.21 1mpe s GLN 2 CO 0.00 -0.22 -0.06 0.71 -0.50 0.00 0.00 175.29 175.22 1mpe s TYR 3 N 1.83 2.97 -0.16 1.67 2.02 -1.26 -5.11 117.35 119.32 1mpe s TYR 3 Ca 0.28 -0.27 -0.05 0.00 -0.37 0.00 0.00 57.07 56.66 1mpe s TYR 3 Cb -0.16 -1.88 -0.03 0.00 -0.40 0.00 0.00 41.96 39.49 1mpe s TYR 3 CO 0.10 0.03 0.01 0.15 -1.57 0.00 0.00 175.55 174.28 1mpe s LYS 4 N 0.08 3.77 -0.06 -0.62 1.02 -1.26 -5.10 119.74 117.57 1mpe s LYS 4 Ca -0.01 -0.42 -0.02 0.00 0.02 0.00 0.00 55.97 55.53 1mpe s LYS 4 Cb -0.14 -3.05 0.04 0.00 -0.52 0.00 0.00 37.83 34.16 1mpe s LYS 4 CO 0.03 0.30 0.12 0.08 -0.92 0.00 0.00 175.35 174.96 1mpe s VAL 5 N 0.26 -0.09 -0.23 3.17 1.01 -1.26 -5.14 120.40 118.12 1mpe s VAL 5 Ca 0.01 0.22 -0.14 0.00 0.00 0.00 0.00 61.98 62.07 1mpe s VAL 5 Cb -0.13 -0.22 -0.04 0.00 0.00 0.00 0.00 36.38 35.99 1mpe s VAL 5 CO 0.02 0.09 0.31 -0.63 0.00 0.00 0.00 175.10 174.89 1mpe s ILE 6 N 1.37 5.25 -0.14 2.22 1.01 -1.26 -5.06 121.20 124.58 1mpe s ILE 6 Ca -0.07 0.49 -0.02 0.00 0.00 0.00 0.00 60.65 61.05 1mpe s ILE 6 Cb -0.12 -3.64 0.05 0.00 0.01 0.00 0.00 42.46 38.75 1mpe s ILE 6 CO -0.05 0.26 0.02 -0.76 0.00 0.00 0.00 174.94 174.40 1mpe s LEU 7 N 1.45 0.89 -0.27 2.97 1.02 -1.26 -5.05 118.68 118.41 1mpe s LEU 7 Ca 0.14 -0.48 0.00 0.00 0.02 0.00 0.00 54.13 53.81 1mpe s LEU 7 Cb -0.15 -0.52 0.16 0.00 0.02 0.00 0.00 46.19 45.70 1mpe s LEU 7 CO 0.08 -0.25 0.45 0.54 0.02 0.00 0.00 176.35 177.18 1mpe s ASN 8 N 1.92 -0.18 -0.88 2.29 4.22 0.98 -4.22 114.94 119.06 1mpe s ASN 8 Ca 0.02 0.13 -0.23 0.00 -2.14 0.00 0.00 52.86 50.64 1mpe s ASN 8 Cb -0.15 1.39 0.07 0.00 1.28 0.00 0.00 41.25 43.84 1mpe s ASN 8 CO -0.07 -0.31 1.26 -0.83 -2.04 0.00 0.00 177.10 175.11 1mpe s GLY 9 N 2.63 1.37 0.48 0.45 0.00 0.20 -4.76 107.32 107.68 1mpe s GLY 9 Ca 0.13 -2.14 0.02 0.00 0.00 0.00 0.00 44.72 42.73 1mpe s GLY 9 CO -0.23 2.41 0.05 0.54 0.00 0.00 0.00 173.10 175.88 1mpe s LYS 10 N 4.42 2.12 -1.11 2.90 1.02 -1.26 -4.97 119.74 122.86 1mpe s LYS 10 Ca 0.37 -2.35 -0.18 0.00 0.02 0.00 0.00 55.97 53.83 1mpe s LYS 10 Cb -0.06 -1.16 0.11 0.00 -0.52 0.00 0.00 37.83 36.21 1mpe s LYS 10 CO -0.02 -0.44 1.41 0.99 -0.92 0.00 0.00 175.35 176.38 1mpe s THR 11 N -3.00 4.51 -0.05 2.17 2.01 -1.26 -4.75 115.64 115.26 1mpe s THR 11 Ca 0.11 -1.77 0.13 0.00 0.31 0.00 0.00 61.69 60.46 1mpe s THR 11 Cb 0.01 -4.97 -0.12 0.00 0.01 0.00 0.00 72.50 67.43 1mpe s THR 11 CO 0.07 -1.74 1.06 -0.07 -0.69 0.00 0.00 174.62 173.24 1mpe h LEU 12 N 11.19 0.00-10.47 4.42 3.38 -1.93 -3.47 115.31 118.43 1mpe h LEU 12 Ca 0.27 0.00 -0.52 0.00 0.09 0.00 0.00 57.88 57.73 1mpe h LEU 12 Cb 0.95 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.69 1mpe h LEU 12 CO 1.29 0.75 -0.22 -0.54 0.09 0.00 0.00 178.44 179.82 1mpe s LYS 13 N -2.81 2.36 -0.15 1.13 1.02 -1.26 -5.06 119.74 114.96 1mpe s LYS 13 Ca -0.01 -1.73 0.06 0.00 0.02 0.00 0.00 55.97 54.31 1mpe s LYS 13 Cb 0.09 -2.43 -0.23 0.00 -0.52 0.00 0.00 37.83 34.73 1mpe s LYS 13 CO 0.80 -0.65 0.22 0.41 -0.92 0.00 0.00 175.35 175.22 1mpe n GLY 14 N -1.96 -0.72 3.72 -3.33 0.00 -1.26 -4.90 105.19 96.74 1mpe n GLY 14 Ca 0.08 -0.21 -0.41 0.00 0.00 0.00 0.00 46.02 45.48 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 -2.54 4.51 0.55 1.61 8.01 -1.26 -4.92 118.70 124.65 1mpe s GLU 15 Ca -0.18 1.18 0.00 0.00 0.01 0.00 0.00 54.97 55.97 1mpe s GLU 15 Cb 0.07 -3.45 0.00 0.00 -4.31 0.00 0.00 34.13 26.45 1mpe s GLU 15 CO 0.75 0.03 0.00 -2.37 0.01 0.00 0.00 175.26 173.68 1mpe n THR 16 N 3.74 0.00 0.08 3.63 5.66 -1.26 -4.93 114.28 121.20 1mpe n THR 16 Ca 0.02 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.02 1mpe n THR 16 Cb 0.51 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.29 1mpe n THR 16 CO 0.00 0.00 0.00 0.41 -3.05 0.00 0.00 175.07 172.43 1mpe n THR 17 N -0.52 0.36 -3.33 1.09 -1.04 -1.26 -4.85 114.28 104.72 1mpe n THR 17 Ca 0.00 0.12 0.05 0.00 -2.04 0.00 0.00 64.05 62.18 1mpe n THR 17 Cb 0.00 -0.78 -0.01 0.00 -1.82 0.00 0.00 70.33 67.71 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 -3.24 0.00 -3.71 12.58 -2.24 -1.26 -4.90 114.28 111.50 1mpe n THR 18 Ca 0.00 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.65 1mpe n THR 18 Cb 0.00 -0.13 -0.10 0.00 -2.10 0.00 0.00 70.33 68.00 1mpe n THR 18 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1mpe s GLU 19 N -0.63 0.52 0.06 -0.78 2.02 -1.26 -4.87 118.70 113.75 1mpe s GLU 19 Ca 0.00 0.67 0.00 0.00 0.02 0.00 0.00 54.97 55.66 1mpe s GLU 19 Cb 0.00 0.23 0.00 0.00 0.10 0.00 0.00 34.13 34.46 1mpe s GLU 19 CO 0.00 -0.08 0.00 0.00 0.02 0.00 0.00 175.26 175.20 1mpe n ALA 20 N 3.02 3.00 -3.13 5.21 0.00 -1.26 -4.98 120.51 122.37 1mpe n ALA 20 Ca -0.15 0.00 -0.45 0.00 0.00 0.00 0.00 53.44 52.85 1mpe n ALA 20 Cb 0.57 0.02 -0.00 0.00 0.00 0.00 0.00 19.45 20.03 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 -1.24 5.46 -0.08 0.00 -7.23 -1.26 -4.96 120.40 111.09 1mpe s VAL 21 Ca 0.00 -2.90 -0.06 0.00 -1.81 0.00 0.00 61.98 57.21 1mpe s VAL 21 Cb 0.00 -4.75 -0.04 0.00 0.56 0.00 0.00 36.38 32.15 1mpe s VAL 21 CO 0.00 -1.40 0.16 -0.62 -0.31 0.00 0.00 175.10 172.93 1mpe s ASP 22 N 2.20 6.40 0.29 4.85 -1.08 -1.26 0.61 116.67 128.67 1mpe s ASP 22 Ca 0.36 0.45 0.03 0.00 -0.52 0.00 0.00 52.55 52.87 1mpe s ASP 22 Cb -0.06 -2.06 0.69 0.00 -1.46 0.00 0.00 42.92 40.03 1mpe s ASP 22 CO -0.04 0.36 1.72 0.00 0.52 0.00 0.00 175.17 177.73 1mpe h ALA 23 N 4.63 1.43 0.00 3.66 0.00 -1.96 0.39 119.26 127.42 1mpe h ALA 23 Ca -0.53 0.14 -0.08 0.00 0.00 0.00 0.00 54.91 54.43 1mpe h ALA 23 Cb 1.22 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.08 1mpe h ALA 23 CO 0.61 -0.26 -0.38 0.00 0.00 0.00 0.00 179.25 179.22 1mpe h ALA 24 N 1.67 1.34 -0.85 0.00 0.00 -1.95 -2.88 119.26 116.59 1mpe h ALA 24 Ca 0.54 -0.35 -0.03 0.00 0.00 0.00 0.00 54.91 55.08 1mpe h ALA 24 Cb 0.97 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.66 1mpe h ALA 24 CO -0.48 0.48 0.43 1.15 0.00 0.00 0.00 179.25 180.83 1mpe h THR 25 N 0.00 1.26 -0.17 0.00 2.02 -0.59 -1.50 112.91 113.94 1mpe h THR 25 Ca -0.00 -0.70 -0.03 0.00 0.77 0.00 0.00 66.41 66.45 1mpe h THR 25 Cb 0.69 0.15 -0.01 0.00 -1.74 0.00 0.00 68.15 67.24 1mpe h THR 25 CO 0.05 0.30 -0.01 0.15 0.37 0.00 0.00 175.52 176.38 1mpe h PHE 26 N 1.21 0.33 0.06 3.16 3.57 -1.28 -1.50 116.94 122.49 1mpe h PHE 26 Ca 0.30 -0.06 0.01 0.00 3.53 0.00 0.00 57.97 61.75 1mpe h PHE 26 Cb 0.09 -0.08 -0.02 0.00 2.79 0.00 0.00 35.95 38.73 1mpe h PHE 26 CO 0.01 0.53 -0.11 0.93 -2.23 0.00 0.00 178.31 177.45 1mpe h GLU 27 N 0.03 -0.20 0.02 1.11 5.08 -1.37 -0.13 114.58 119.12 1mpe h GLU 27 Ca 0.05 0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.42 1mpe h GLU 27 Cb 0.40 0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.70 1mpe h GLU 27 CO 0.01 -0.14 -0.01 -0.22 -1.00 0.00 0.00 179.01 177.66 1mpe h LYS 28 N -0.21 -0.02 -0.74 2.33 3.64 -1.32 -0.61 116.57 119.64 1mpe h LYS 28 Ca 0.02 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.38 1mpe h LYS 28 Cb 0.23 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.02 1mpe h LYS 28 CO -0.06 0.31 0.39 0.28 -2.27 0.00 0.00 179.45 178.10 1mpe h VAL 29 N -0.35 1.23 -0.11 2.00 2.07 -1.28 -1.40 116.25 118.41 1mpe h VAL 29 Ca -0.00 -0.59 -0.12 0.00 0.82 0.00 0.00 66.70 66.81 1mpe h VAL 29 Cb 0.34 0.26 0.00 0.00 -1.52 0.00 0.00 31.29 30.38 1mpe h VAL 29 CO 0.00 0.26 -0.38 0.58 0.02 0.00 0.00 177.57 178.05 1mpe h VAL 30 N 1.03 1.38 -0.30 2.57 2.07 -1.04 -1.47 116.25 120.50 1mpe h VAL 30 Ca 0.26 -1.71 -0.02 0.00 0.82 0.00 0.00 66.70 66.06 1mpe h VAL 30 Cb 0.06 2.16 -0.01 0.00 -1.52 0.00 0.00 31.29 31.97 1mpe h VAL 30 CO -0.04 0.51 0.12 0.50 0.02 0.00 0.00 177.57 178.68 1mpe h LYS 31 N 0.04 0.44 -0.39 1.57 3.11 -1.06 0.21 116.57 120.48 1mpe h LYS 31 Ca -0.02 -0.08 -0.03 0.00 -2.81 0.00 0.00 60.65 57.71 1mpe h LYS 31 Cb 1.01 -0.07 -0.02 0.00 -1.00 0.00 0.00 32.23 32.15 1mpe h LYS 31 CO 0.08 0.45 0.11 0.37 -2.81 0.00 0.00 179.45 177.64 1mpe h GLN 32 N 0.33 0.61 -0.18 1.90 5.75 -1.33 0.27 115.11 122.46 1mpe h GLN 32 Ca 0.10 -0.14 -0.04 0.00 -0.15 0.00 0.00 58.65 58.41 1mpe h GLN 32 Cb 0.17 -0.08 -0.01 0.00 1.07 0.00 0.00 27.48 28.63 1mpe h GLN 32 CO -0.01 0.63 -0.06 0.35 -2.65 0.00 0.00 178.83 177.10 1mpe h PHE 33 N 0.48 0.41 -0.01 3.99 3.57 -1.15 -3.23 116.94 121.00 1mpe h PHE 33 Ca 0.12 -0.09 -0.18 0.00 3.53 0.00 0.00 57.97 61.35 1mpe h PHE 33 Cb 0.29 -0.10 -0.01 0.00 2.79 0.00 0.00 35.95 38.91 1mpe h PHE 33 CO 0.01 0.63 -0.78 0.74 -2.23 0.00 0.00 178.31 176.68 1mpe h PHE 34 N 0.07 0.23 -0.34 0.41 -1.00 -0.59 -3.13 116.94 112.59 1mpe h PHE 34 Ca 0.04 -0.11 0.10 0.00 2.81 0.00 0.00 57.97 60.81 1mpe h PHE 34 Cb 0.51 -0.03 -0.01 0.00 3.61 0.00 0.00 35.95 40.03 1mpe h PHE 34 CO 0.06 0.88 0.24 -0.91 -1.61 0.00 0.00 178.31 176.97 1mpe h ASN 35 N 0.10 0.00 0.15 2.17 -0.26 -0.50 0.70 115.58 117.94 1mpe h ASN 35 Ca -0.03 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.71 1mpe h ASN 35 Cb 1.37 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.63 1mpe h ASN 35 CO 0.12 0.00 0.00 0.44 -1.06 0.00 0.00 177.43 176.93 1mpe h ASP 36 N 0.00 0.00 0.00 5.81 3.32 -1.56 -2.46 116.42 121.53 1mpe h ASP 36 Ca 0.16 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.20 1mpe h ASP 36 Cb 0.65 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.19 1mpe h ASP 36 CO -0.00 0.00 -1.68 -0.46 -1.72 0.00 0.00 179.24 175.38 1mpe n ASN 37 N -2.74 1.65 0.00 6.45 0.23 0.22 -5.00 115.26 116.07 1mpe n ASN 37 Ca -0.02 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.03 1mpe n ASN 37 Cb 0.09 1.65 0.00 0.00 -2.08 0.00 0.00 39.78 39.44 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 1.68 0.52 3.83 4.83 0.00 -0.93 -5.14 105.19 109.98 1mpe n GLY 38 Ca -0.03 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.93 4.76 0.31 1.61 1.01 -1.11 -4.99 120.40 121.06 1mpe s VAL 39 Ca 0.00 1.05 -0.07 0.00 0.00 0.00 0.00 61.98 62.96 1mpe s VAL 39 Cb 0.00 -3.82 0.03 0.00 0.00 0.00 0.00 36.38 32.59 1mpe s VAL 39 CO 0.00 0.33 0.54 0.47 0.00 0.00 0.00 175.10 176.44 1mpe n ASP 40 N 1.08 -1.54 0.00 3.32 9.92 -1.26 -4.05 116.55 124.01 1mpe n ASP 40 Ca -0.06 -2.46 0.00 0.00 -0.53 0.00 0.00 54.79 51.73 1mpe n ASP 40 Cb 0.51 2.69 0.00 0.00 -0.64 0.00 0.00 41.12 43.68 1mpe n ASP 40 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1mpe n GLY 41 N -0.47 0.28 3.29 0.44 0.00 -1.26 -5.06 105.19 102.41 1mpe n GLY 41 Ca -0.04 -1.85 -0.10 0.00 0.00 0.00 0.00 46.02 44.03 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 0.98 -0.19 1.61 8.01 -1.26 -5.13 118.70 122.73 1mpe s GLU 42 Ca 0.00 -0.70 -0.29 0.00 0.01 0.00 0.00 54.97 53.98 1mpe s GLU 42 Cb 0.00 0.43 -0.02 0.00 -4.31 0.00 0.00 34.13 30.23 1mpe s GLU 42 CO 0.00 -0.36 1.34 -1.58 0.01 0.00 0.00 175.26 174.67 1mpe s TRP 43 N -3.56 2.66 -0.04 1.61 0.52 -1.26 -5.01 118.94 113.86 1mpe s TRP 43 Ca 0.02 0.86 0.02 0.00 0.02 0.00 0.00 56.10 57.02 1mpe s TRP 43 Cb 0.02 -3.67 -0.03 0.00 -1.15 0.00 0.00 33.47 28.64 1mpe s TRP 43 CO -0.10 -2.03 -0.08 0.95 0.02 0.00 0.00 176.95 175.71 1mpe s THR 44 N 3.87 3.59 0.40 2.01 -4.23 -1.26 -5.10 115.64 114.92 1mpe s THR 44 Ca 0.58 -0.62 -0.25 0.00 -1.18 0.00 0.00 61.69 60.21 1mpe s THR 44 Cb -0.22 -2.49 -0.08 0.00 1.34 0.00 0.00 72.50 71.04 1mpe s THR 44 CO 0.19 0.52 1.19 -0.31 -0.54 0.00 0.00 174.62 175.67 1mpe s TYR 45 N -0.87 3.04 0.72 3.99 2.02 -1.26 -5.01 117.35 119.98 1mpe s TYR 45 Ca 0.14 1.54 -0.11 0.00 -0.37 0.00 0.00 57.07 58.26 1mpe s TYR 45 Cb -0.11 -3.43 0.02 0.00 -0.40 0.00 0.00 41.96 38.04 1mpe s TYR 45 CO 0.04 -1.42 1.08 -0.51 -1.57 0.00 0.00 175.55 173.16 1mpe s ASP 46 N -1.07 5.02 0.14 2.29 1.11 -1.26 -4.97 116.67 117.94 1mpe s ASP 46 Ca 0.57 1.75 -0.31 0.00 0.18 0.00 0.00 52.55 54.73 1mpe s ASP 46 Cb -0.32 -2.51 -0.09 0.00 1.07 0.00 0.00 42.92 41.07 1mpe s ASP 46 CO 0.40 -1.68 1.48 -0.62 1.18 0.00 0.00 175.17 175.93 1mpe s ASP 47 N -3.46 6.71 0.44 0.27 2.15 -1.26 -4.95 116.67 116.58 1mpe s ASP 47 Ca 0.60 2.47 -0.25 0.00 0.43 0.00 0.00 52.55 55.81 1mpe s ASP 47 Cb -0.16 -2.59 -0.09 0.00 -0.30 0.00 0.00 42.92 39.78 1mpe s ASP 47 CO 0.53 -0.74 1.22 0.00 -0.17 0.00 0.00 175.17 176.02 1mpe n ALA 48 N 3.97 1.10 -2.40 3.66 0.00 -1.26 -5.02 120.51 120.55 1mpe n ALA 48 Ca 0.13 0.23 -0.09 0.00 0.00 0.00 0.00 53.44 53.71 1mpe n ALA 48 Cb 0.40 -2.24 -0.10 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 -1.24 0.36 -0.16 0.00 2.01 -1.26 -5.15 115.64 110.21 1mpe s THR 49 Ca 0.63 -1.55 0.00 0.00 0.31 0.00 0.00 61.69 61.08 1mpe s THR 49 Cb -0.50 -1.17 0.03 0.00 0.01 0.00 0.00 72.50 70.86 1mpe s THR 49 CO 0.56 -0.78 -0.14 -0.54 -0.69 0.00 0.00 174.62 173.04 1mpe s LYS 50 N -3.06 2.27 -0.15 4.92 1.02 -1.26 -5.12 119.74 118.37 1mpe s LYS 50 Ca 0.01 -0.60 -0.05 0.00 0.02 0.00 0.00 55.97 55.35 1mpe s LYS 50 Cb 0.01 -2.16 -0.04 0.00 -0.52 0.00 0.00 37.83 35.13 1mpe s LYS 50 CO -0.05 -0.26 0.02 0.99 -0.92 0.00 0.00 175.35 175.12 1mpe s THR 51 N 1.47 4.45 -0.33 2.17 2.01 -1.26 -5.08 115.64 119.08 1mpe s THR 51 Ca 0.04 -0.17 -0.28 0.00 0.31 0.00 0.00 61.69 61.59 1mpe s THR 51 Cb -0.13 -2.96 0.02 0.00 0.01 0.00 0.00 72.50 69.44 1mpe s THR 51 CO -0.10 0.52 1.04 0.12 -0.69 0.00 0.00 174.62 175.51 1mpe s PHE 52 N -0.03 3.13 -0.22 4.92 5.36 -1.26 -5.02 117.98 124.87 1mpe s PHE 52 Ca 0.04 1.11 -0.16 0.00 -0.96 0.00 0.00 56.93 56.96 1mpe s PHE 52 Cb -0.13 -3.69 -0.04 0.00 -0.34 0.00 0.00 43.02 38.83 1mpe s PHE 52 CO 0.02 -0.78 0.42 0.99 -1.46 0.00 0.00 175.22 174.40 1mpe s THR 53 N 3.63 5.18 0.64 0.12 2.01 -1.26 -5.06 115.64 120.88 1mpe s THR 53 Ca 0.44 0.73 -0.15 0.00 0.31 0.00 0.00 61.69 63.02 1mpe s THR 53 Cb -0.12 -3.74 -0.01 0.00 0.01 0.00 0.00 72.50 68.63 1mpe s THR 53 CO 0.16 0.22 1.09 -0.69 -0.69 0.00 0.00 174.62 174.71 1mpe s VAL 54 N 1.52 3.45 0.00 3.82 1.01 -1.26 -4.99 120.40 123.96 1mpe s VAL 54 Ca 0.19 0.68 0.00 0.00 0.00 0.00 0.00 61.98 62.85 1mpe s VAL 54 Cb -0.15 -3.20 0.00 0.00 0.00 0.00 0.00 36.38 33.03 1mpe s VAL 54 CO 0.08 -0.42 0.00 0.41 0.00 0.00 0.00 175.10 175.18 1mpe n THR 55 N -2.29 0.00 0.00 3.92 -1.04 -1.26 -5.34 114.28 108.27 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 -1.84 -0.64 0.00 0.00 175.07 172.59