#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jwu s THR 2 N 0.00 2.13 -0.17 12.58 2.01 -1.26 0.10 115.64 131.03 2jwu s THR 2 Ca 0.00 -1.13 -0.08 0.00 0.31 0.00 0.00 61.69 60.79 2jwu s THR 2 Cb 0.00 -2.00 -0.04 0.00 0.01 0.00 0.00 72.50 70.46 2jwu s THR 2 CO 0.00 0.37 0.09 -0.31 -0.69 0.00 0.00 174.62 174.08 2jwu s TYR 3 N 1.24 3.36 -0.10 4.92 2.02 0.39 -4.81 117.35 124.36 2jwu s TYR 3 Ca 0.01 0.25 -0.03 0.00 -0.37 0.00 0.00 57.07 56.93 2jwu s TYR 3 Cb -0.15 -2.06 -0.03 0.00 -0.40 0.00 0.00 41.96 39.31 2jwu s TYR 3 CO -0.10 0.32 0.02 0.21 -1.57 0.00 0.00 175.55 174.43 2jwu s LYS 4 N 0.03 3.15 -0.01 -0.62 2.20 -1.00 0.49 119.74 123.98 2jwu s LYS 4 Ca 0.07 -0.37 0.01 0.00 -0.36 0.00 0.00 55.97 55.32 2jwu s LYS 4 Cb -0.12 -2.88 0.01 0.00 -1.51 0.00 0.00 37.83 33.33 2jwu s LYS 4 CO 0.00 0.66 -0.01 -1.17 -0.36 0.00 0.00 175.35 174.47 2jwu s LEU 5 N -0.75 1.63 -0.09 5.43 2.96 -0.92 0.11 118.68 127.05 2jwu s LEU 5 Ca 0.12 -0.03 -0.01 0.00 -0.22 0.00 0.00 54.13 53.99 2jwu s LEU 5 Cb -0.12 -0.14 0.03 0.00 0.50 0.00 0.00 46.19 46.46 2jwu s LEU 5 CO 0.02 -0.03 -0.02 0.27 -1.32 0.00 0.00 176.35 175.27 2jwu s ILE 6 N 0.42 0.58 -0.13 6.68 -4.36 -0.98 -1.63 121.20 121.77 2jwu s ILE 6 Ca -0.04 -0.02 -0.03 0.00 -0.26 0.00 0.00 60.65 60.30 2jwu s ILE 6 Cb -0.06 -0.70 -0.03 0.00 1.25 0.00 0.00 42.46 42.92 2jwu s ILE 6 CO -0.01 0.28 -0.02 -0.76 0.24 0.00 0.00 174.94 174.67 2jwu s LEU 7 N 1.89 3.39 -0.33 0.37 1.02 0.83 -2.36 118.68 123.49 2jwu s LEU 7 Ca 0.05 -0.02 0.02 0.00 0.02 0.00 0.00 54.13 54.20 2jwu s LEU 7 Cb -0.12 -1.80 0.09 0.00 0.02 0.00 0.00 46.19 44.37 2jwu s LEU 7 CO -0.06 0.25 0.03 0.20 0.02 0.00 0.00 176.35 176.79 2jwu s ASN 8 N -0.10 4.78 0.87 2.29 0.01 -1.03 -1.26 114.94 120.50 2jwu s ASN 8 Ca 0.03 -1.91 -0.09 0.00 -0.71 0.00 0.00 52.86 50.18 2jwu s ASN 8 Cb -0.13 -1.65 0.18 0.00 0.41 0.00 0.00 41.25 40.07 2jwu s ASN 8 CO 0.02 -0.35 1.19 -0.76 -1.51 0.00 0.00 177.10 175.69 2jwu s LEU 9 N 1.00 2.84 0.00 0.60 1.43 -0.59 -2.29 118.68 121.67 2jwu s LEU 9 Ca 0.05 -0.13 0.28 0.00 -1.03 0.00 0.00 54.13 53.30 2jwu s LEU 9 Cb -0.20 -1.97 1.02 0.00 0.03 0.00 0.00 46.19 45.08 2jwu s LEU 9 CO -0.06 -2.43 1.73 0.29 0.23 0.00 0.00 176.35 176.10 2jwu n LYS 10 N -3.38 1.39 -0.01 1.70 4.76 -1.26 -4.22 118.16 117.14 2jwu n LYS 10 Ca 0.16 -0.77 -0.01 0.00 -2.87 0.00 0.00 58.31 54.82 2jwu n LYS 10 Cb 0.60 -1.48 -0.01 0.00 -1.84 0.00 0.00 35.03 32.30 2jwu n LYS 10 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2jwu n GLN 11 N -0.13 0.04 -4.00 1.97 10.64 -1.26 -5.10 117.38 119.54 2jwu n GLN 11 Ca 0.17 0.01 -0.10 0.00 -1.83 0.00 0.00 57.00 55.26 2jwu n GLN 11 Cb 0.34 -0.98 -0.07 0.00 -0.86 0.00 0.00 30.24 28.67 2jwu n GLN 11 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 2jwu s ALA 12 N -2.03 0.09 -0.22 2.61 0.00 -1.26 -5.15 121.76 115.80 2jwu s ALA 12 Ca -0.02 -0.98 -0.02 0.00 0.00 0.00 0.00 51.96 50.94 2jwu s ALA 12 Cb 0.01 0.96 0.01 0.00 0.00 0.00 0.00 23.12 24.10 2jwu s ALA 12 CO 0.04 -0.68 -0.09 0.21 0.00 0.00 0.00 175.76 175.24 2jwu s LYS 13 N -4.00 3.13 -0.05 0.00 2.20 -1.26 -1.54 119.74 118.21 2jwu s LYS 13 Ca 0.21 -0.78 0.04 0.00 -0.36 0.00 0.00 55.97 55.08 2jwu s LYS 13 Cb 0.03 -2.89 -0.02 0.00 -1.51 0.00 0.00 37.83 33.43 2jwu s LYS 13 CO 0.03 -0.26 -0.17 -1.21 -0.36 0.00 0.00 175.35 173.38 2jwu s GLU 14 N 1.39 2.50 -0.04 4.03 0.41 -0.39 -5.01 118.70 121.58 2jwu s GLU 14 Ca 0.04 -0.76 -0.11 0.00 -0.41 0.00 0.00 54.97 53.73 2jwu s GLU 14 Cb -0.15 -2.31 0.02 0.00 -1.78 0.00 0.00 34.13 29.91 2jwu s GLU 14 CO -0.06 0.56 0.26 -1.83 -0.49 0.00 0.00 175.26 173.70 2jwu s GLU 15 N -0.58 0.49 0.34 1.61 -1.05 -1.26 -0.12 118.70 118.13 2jwu s GLU 15 Ca 0.08 -0.03 -0.12 0.00 -0.15 0.00 0.00 54.97 54.76 2jwu s GLU 15 Cb -0.11 0.22 0.02 0.00 -0.44 0.00 0.00 34.13 33.82 2jwu s GLU 15 CO 0.01 -0.11 0.63 0.00 0.95 0.00 0.00 175.26 176.74 2jwu s ALA 16 N -0.79 -0.23 -0.01 -0.84 0.00 -0.65 -5.02 121.76 114.22 2jwu s ALA 16 Ca -0.09 -0.97 0.02 0.00 0.00 0.00 0.00 51.96 50.93 2jwu s ALA 16 Cb -0.05 0.91 -0.00 0.00 0.00 0.00 0.00 23.12 23.98 2jwu s ALA 16 CO 0.02 -0.91 -0.08 0.42 0.00 0.00 0.00 175.76 175.21 2jwu s ILE 17 N -3.00 0.65 0.38 0.00 -1.09 -1.26 -2.17 121.20 114.70 2jwu s ILE 17 Ca 0.21 -0.33 0.04 0.00 -2.23 0.00 0.00 60.65 58.34 2jwu s ILE 17 Cb -0.03 -0.56 -0.05 0.00 -1.58 0.00 0.00 42.46 40.24 2jwu s ILE 17 CO 0.13 0.19 0.07 -0.54 -1.23 0.00 0.00 174.94 173.56 2jwu s LYS 18 N -0.05 1.82 0.09 2.79 -0.14 0.18 -4.98 119.74 119.45 2jwu s LYS 18 Ca 0.01 -2.06 0.08 0.00 -1.36 0.00 0.00 55.97 52.64 2jwu s LYS 18 Cb -0.05 -0.94 -0.04 0.00 -1.68 0.00 0.00 37.83 35.12 2jwu s LYS 18 CO -0.00 -0.28 -0.16 -2.00 -0.76 0.00 0.00 175.35 172.15 2jwu s GLU 19 N -3.82 1.94 0.00 1.68 2.12 -1.26 0.15 118.70 119.50 2jwu s GLU 19 Ca 0.29 -1.08 -0.00 0.00 0.36 0.00 0.00 54.97 54.54 2jwu s GLU 19 Cb 0.06 -2.18 0.00 0.00 0.26 0.00 0.00 34.13 32.28 2jwu s GLU 19 CO 0.14 0.51 0.00 -0.11 -0.54 0.00 0.00 175.26 175.26 2jwu n LEU 20 N 1.02 0.00 0.00 2.70 0.00 0.28 -4.78 117.00 116.22 2jwu n LEU 20 Ca -0.15 -0.00 0.00 0.00 0.00 0.00 0.00 56.01 55.86 2jwu n LEU 20 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.95 2jwu n LEU 20 CO 0.29 -0.00 -0.40 0.52 0.00 0.00 0.00 177.39 177.80 2jwu n VAL 21 N -0.00 0.00 -4.24 1.96 0.31 -1.26 -0.52 118.33 114.58 2jwu n VAL 21 Ca -0.00 0.00 -0.13 0.00 -0.01 0.00 0.00 64.34 64.20 2jwu n VAL 21 Cb 0.00 -0.55 -0.10 0.00 -0.91 0.00 0.00 33.84 32.28 2jwu n VAL 21 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2jwu s ASP 22 N -3.34 1.26 0.14 4.52 2.15 -1.26 -4.42 116.67 115.72 2jwu s ASP 22 Ca 0.00 -1.15 0.02 0.00 0.43 0.00 0.00 52.55 51.85 2jwu s ASP 22 Cb 0.00 0.10 -0.10 0.00 -0.30 0.00 0.00 42.92 42.62 2jwu s ASP 22 CO 0.00 -0.54 1.31 0.00 -0.17 0.00 0.00 175.17 175.77 2jwu h ALA 23 N 2.71 0.41 -0.31 3.66 0.00 -1.99 -2.31 119.26 121.43 2jwu h ALA 23 Ca -0.37 -0.80 0.07 0.00 0.00 0.00 0.00 54.91 53.82 2jwu h ALA 23 Cb 1.20 -0.08 -0.07 0.00 0.00 0.00 0.00 17.79 18.84 2jwu h ALA 23 CO 0.63 1.00 -0.19 0.00 0.00 0.00 0.00 179.25 180.69 2jwu h ALA 24 N 0.91 0.02 -0.26 0.00 0.00 -1.99 1.02 119.26 118.97 2jwu h ALA 24 Ca -0.05 0.11 -0.11 0.00 0.00 0.00 0.00 54.91 54.86 2jwu h ALA 24 Cb 1.65 0.44 -0.00 0.00 0.00 0.00 0.00 17.79 19.88 2jwu h ALA 24 CO 0.15 -0.59 -0.27 1.15 0.00 0.00 0.00 179.25 179.69 2jwu h THR 25 N -0.16 1.31 -0.27 0.00 2.02 -2.00 -2.81 112.91 111.01 2jwu h THR 25 Ca 0.16 -1.44 0.06 0.00 0.77 0.00 0.00 66.41 65.97 2jwu h THR 25 Cb 0.41 1.64 -0.07 0.00 -1.74 0.00 0.00 68.15 68.39 2jwu h THR 25 CO -0.41 0.45 -0.18 0.00 0.37 0.00 0.00 175.52 175.76 2jwu h ALA 26 N 0.68 0.01 -0.92 6.16 0.00 -0.69 0.33 119.26 124.85 2jwu h ALA 26 Ca 0.04 0.10 0.21 0.00 0.00 0.00 0.00 54.91 55.26 2jwu h ALA 26 Cb 0.83 0.40 -0.07 0.00 0.00 0.00 0.00 17.79 18.95 2jwu h ALA 26 CO 0.07 -0.58 0.61 1.49 0.00 0.00 0.00 179.25 180.83 2jwu h GLU 27 N -0.16 0.36 -0.09 0.00 4.81 0.11 2.02 114.58 121.63 2jwu h GLU 27 Ca 0.15 -0.02 -0.06 0.00 -0.13 0.00 0.00 59.36 59.29 2jwu h GLU 27 Cb 0.38 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.68 2jwu h GLU 27 CO -0.36 0.24 -0.17 -0.22 -0.73 0.00 0.00 179.01 177.76 2jwu h LYS 28 N 0.37 0.28 0.18 1.92 3.64 -0.20 -2.13 116.57 120.63 2jwu h LYS 28 Ca 0.48 -0.18 -0.01 0.00 -1.27 0.00 0.00 60.65 59.67 2jwu h LYS 28 Cb 1.25 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 33.10 2jwu h LYS 28 CO -0.17 0.77 -0.09 -0.92 -2.27 0.00 0.00 179.45 176.76 2jwu h TYR 29 N -0.18 -0.23 -0.90 1.91 5.03 0.11 -2.72 116.97 119.99 2jwu h TYR 29 Ca 0.00 -0.01 0.15 0.00 2.58 0.00 0.00 58.73 61.46 2jwu h TYR 29 Cb 0.75 0.08 -0.10 0.00 1.55 0.00 0.00 36.73 39.01 2jwu h TYR 29 CO 0.11 -0.06 0.50 0.74 -1.32 0.00 0.00 178.16 178.13 2jwu h PHE 30 N -1.05 0.88 -0.18 -3.82 0.04 0.30 0.61 116.94 113.73 2jwu h PHE 30 Ca -0.03 0.03 -0.13 0.00 2.80 0.00 0.00 57.97 60.65 2jwu h PHE 30 Cb 0.27 -0.26 -0.01 0.00 2.20 0.00 0.00 35.95 38.15 2jwu h PHE 30 CO 0.02 0.22 -0.43 -0.22 -0.60 0.00 0.00 178.31 177.30 2jwu h LYS 31 N 0.70 0.42 0.00 1.51 3.64 -1.48 -1.92 116.57 119.44 2jwu h LYS 31 Ca 0.50 -0.22 -0.05 0.00 -1.27 0.00 0.00 60.65 59.60 2jwu h LYS 31 Cb 0.69 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.51 2jwu h LYS 31 CO -0.36 0.78 -0.25 -0.07 -2.27 0.00 0.00 179.45 177.28 2jwu h LEU 32 N 0.35 0.00 0.02 5.20 4.07 -0.61 -2.21 115.31 122.13 2jwu h LEU 32 Ca 0.03 0.00 -0.00 0.00 0.08 0.00 0.00 57.88 57.99 2jwu h LEU 32 Cb 0.90 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.64 2jwu h LEU 32 CO 0.08 0.25 -0.01 0.22 -1.08 0.00 0.00 178.44 177.90 2jwu h TYR 33 N 0.00 -0.02 -0.25 1.13 5.03 -0.78 -1.79 116.97 120.28 2jwu h TYR 33 Ca -0.00 -0.00 0.07 0.00 2.58 0.00 0.00 58.73 61.38 2jwu h TYR 33 Cb 0.61 0.01 -0.01 0.00 1.55 0.00 0.00 36.73 38.89 2jwu h TYR 33 CO 0.00 0.37 0.23 0.00 -1.32 0.00 0.00 178.16 177.45 2jwu h ALA 34 N -0.59 1.99 0.09 1.82 0.00 -1.37 0.94 119.26 122.14 2jwu h ALA 34 Ca -0.00 -0.01 -0.25 0.00 0.00 0.00 0.00 54.91 54.65 2jwu h ALA 34 Cb 0.41 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 2jwu h ALA 34 CO 0.00 -0.36 -1.27 -0.97 0.00 0.00 0.00 179.25 176.65 2jwu h ASN 35 N 0.00 0.30 1.00 0.00 -1.24 -1.49 -0.80 115.58 113.35 2jwu h ASN 35 Ca 0.12 -0.82 -0.12 0.00 0.71 0.00 0.00 56.30 56.18 2jwu h ASN 35 Cb 0.59 -0.10 -0.02 0.00 0.73 0.00 0.00 38.32 39.52 2jwu h ASN 35 CO -0.00 1.55 -0.58 0.00 -1.29 0.00 0.00 177.43 177.11 2jwu h ALA 36 N -0.10 0.78 -0.89 1.57 0.00 -0.75 -3.38 119.26 116.50 2jwu h ALA 36 Ca -0.28 -0.53 0.00 0.00 0.00 0.00 0.00 54.91 54.10 2jwu h ALA 36 Cb 1.64 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.34 2jwu h ALA 36 CO 0.02 0.72 0.00 1.63 0.00 0.00 0.00 179.25 181.62 2jwu n LYS 37 N -3.47 0.00 0.00 0.00 4.76 0.32 -4.96 118.16 114.82 2jwu n LYS 37 Ca 0.00 0.35 0.00 0.00 -2.87 0.00 0.00 58.31 55.79 2jwu n LYS 37 Cb 0.67 -0.86 0.00 0.00 -1.84 0.00 0.00 35.03 33.00 2jwu n LYS 37 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 2jwu n THR 38 N -1.56 0.00 -3.83 -0.18 -2.24 -1.17 -5.07 114.28 100.23 2jwu n THR 38 Ca 0.00 0.00 -0.07 0.00 -2.27 0.00 0.00 64.05 61.71 2jwu n THR 38 Cb 0.00 -0.62 0.01 0.00 -2.10 0.00 0.00 70.33 67.62 2jwu n THR 38 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 2jwu s VAL 39 N 0.00 0.00 -0.33 2.28 -7.23 -0.31 -4.89 120.40 109.91 2jwu s VAL 39 Ca 0.00 -0.91 -0.01 0.00 -1.81 0.00 0.00 61.98 59.25 2jwu s VAL 39 Cb 0.00 -2.59 0.07 0.00 0.56 0.00 0.00 36.38 34.43 2jwu s VAL 39 CO 0.00 0.00 0.06 -0.70 -0.31 0.00 0.00 175.10 174.15 2jwu s GLU 40 N -2.77 2.17 0.00 4.82 2.12 -1.26 -4.10 118.70 119.69 2jwu s GLU 40 Ca 0.15 -1.51 0.00 0.00 0.36 0.00 0.00 54.97 53.97 2jwu s GLU 40 Cb -0.05 -3.28 0.00 0.00 0.26 0.00 0.00 34.13 31.07 2jwu s GLU 40 CO 0.09 -0.78 0.00 0.41 -0.54 0.00 0.00 175.26 174.43 2jwu n GLY 41 N 4.55 3.56 3.69 -1.50 0.00 -1.24 -5.01 105.19 109.25 2jwu n GLY 41 Ca -0.08 -0.71 -0.32 0.00 0.00 0.00 0.00 46.02 44.92 2jwu n GLY 41 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2jwu s VAL 42 N 3.94 2.18 0.05 1.61 -7.23 0.12 -4.76 120.40 116.31 2jwu s VAL 42 Ca 0.00 0.06 0.03 0.00 -1.81 0.00 0.00 61.98 60.26 2jwu s VAL 42 Cb 0.00 -2.24 -0.03 0.00 0.56 0.00 0.00 36.38 34.67 2jwu s VAL 42 CO 0.00 -0.07 -0.09 0.26 -0.31 0.00 0.00 175.10 174.89 2jwu s TRP 43 N -2.52 0.79 -0.14 2.82 0.52 -1.26 -2.45 118.94 116.70 2jwu s TRP 43 Ca 0.68 -0.54 -0.23 0.00 0.02 0.00 0.00 56.10 56.03 2jwu s TRP 43 Cb -0.24 -0.46 0.06 0.00 -1.15 0.00 0.00 33.47 31.68 2jwu s TRP 43 CO 0.55 -0.06 0.57 0.99 0.02 0.00 0.00 176.95 179.02 2jwu s THR 44 N -1.62 0.01 0.09 2.01 2.01 0.33 -4.95 115.64 113.53 2jwu s THR 44 Ca -0.06 -0.07 0.08 0.00 0.31 0.00 0.00 61.69 61.95 2jwu s THR 44 Cb -0.08 -0.84 -0.03 0.00 0.01 0.00 0.00 72.50 71.55 2jwu s THR 44 CO 0.00 -0.04 -0.21 -0.47 -0.69 0.00 0.00 174.62 173.21 2jwu s TYR 45 N -0.39 1.80 -0.12 4.92 5.04 -1.26 0.11 117.35 127.44 2jwu s TYR 45 Ca -0.05 -0.41 0.03 0.00 -2.44 0.00 0.00 57.07 54.19 2jwu s TYR 45 Cb -0.03 -1.00 0.00 0.00 0.35 0.00 0.00 41.96 41.28 2jwu s TYR 45 CO 0.04 0.19 -0.21 0.15 -1.34 0.00 0.00 175.55 174.38 2jwu s LYS 46 N -1.81 3.10 -0.29 4.97 -0.14 0.14 -4.98 119.74 120.74 2jwu s LYS 46 Ca 0.07 -0.83 0.06 0.00 -1.36 0.00 0.00 55.97 53.90 2jwu s LYS 46 Cb -0.10 -2.43 0.55 0.00 -1.68 0.00 0.00 37.83 34.18 2jwu s LYS 46 CO 0.04 0.10 1.62 -0.25 -0.76 0.00 0.00 175.35 176.10 2jwu n ASP 47 N 3.77 3.93 -0.05 2.83 8.00 -1.26 -2.45 116.55 131.32 2jwu n ASP 47 Ca -0.19 -3.06 -0.10 0.00 0.71 0.00 0.00 54.79 52.15 2jwu n ASP 47 Cb 0.52 -0.72 -0.15 0.00 -0.02 0.00 0.00 41.12 40.76 2jwu n ASP 47 CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02 2jwu n GLU 48 N -0.34 0.66 -1.20 -1.24 0.00 -1.26 -4.75 120.64 112.51 2jwu n GLU 48 Ca 0.38 0.18 -0.03 0.00 0.00 0.00 0.00 57.16 57.68 2jwu n GLU 48 Cb 1.26 -1.68 -0.01 0.00 0.00 0.00 0.00 31.44 31.01 2jwu n GLU 48 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.13 174.76 2jwu n THR 49 N -2.98 0.00 -2.84 6.31 5.66 -1.26 -5.06 114.28 114.11 2jwu n THR 49 Ca -0.25 -0.17 -0.07 0.00 -3.05 0.00 0.00 64.05 60.51 2jwu n THR 49 Cb 1.09 0.45 0.01 0.00 -1.55 0.00 0.00 70.33 70.32 2jwu n THR 49 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 2jwu n LYS 50 N -0.27 -2.59 -4.20 1.09 5.02 -1.17 -4.71 118.16 111.33 2jwu n LYS 50 Ca -0.15 2.24 -0.16 0.00 -2.02 0.00 0.00 58.31 58.22 2jwu n LYS 50 Cb 0.58 -5.58 -0.14 0.00 -0.02 0.00 0.00 35.03 29.87 2jwu n LYS 50 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 2jwu s THR 51 N -2.41 0.54 0.14 -0.18 2.01 -1.02 -2.36 115.64 112.35 2jwu s THR 51 Ca 0.21 -0.44 0.08 0.00 0.31 0.00 0.00 61.69 61.84 2jwu s THR 51 Cb -0.06 -0.48 -0.04 0.00 0.01 0.00 0.00 72.50 71.93 2jwu s THR 51 CO 0.77 0.05 -0.08 -0.36 -0.69 0.00 0.00 174.62 174.31 2jwu s PHE 52 N -0.39 2.73 -0.09 4.92 0.40 0.30 0.27 117.98 126.13 2jwu s PHE 52 Ca 0.00 -0.17 -0.03 0.00 -0.60 0.00 0.00 56.93 56.13 2jwu s PHE 52 Cb -0.04 -1.38 0.05 0.00 0.51 0.00 0.00 43.02 42.16 2jwu s PHE 52 CO -0.00 0.47 0.15 0.99 0.70 0.00 0.00 175.22 177.53 2jwu s THR 53 N -1.46 -0.24 -0.01 0.64 2.01 0.31 -2.32 115.64 114.56 2jwu s THR 53 Ca 0.24 0.34 0.01 0.00 0.31 0.00 0.00 61.69 62.58 2jwu s THR 53 Cb -0.10 -0.30 0.01 0.00 0.01 0.00 0.00 72.50 72.12 2jwu s THR 53 CO 0.15 0.13 -0.01 0.54 -0.69 0.00 0.00 174.62 174.74 2jwu s VAL 54 N 2.28 0.15 0.17 3.82 0.11 -0.99 0.12 120.40 126.06 2jwu s VAL 54 Ca 0.03 -0.01 -0.02 0.00 -2.93 0.00 0.00 61.98 59.05 2jwu s VAL 54 Cb -0.12 -0.18 -0.04 0.00 -1.53 0.00 0.00 36.38 34.52 2jwu s VAL 54 CO -0.06 0.08 0.12 0.28 -3.33 0.00 0.00 175.10 172.19 2jwu s THR 55 N 0.35 0.05 0.00 5.04 -1.32 -1.03 -2.46 115.64 116.28 2jwu s THR 55 Ca -0.03 -1.89 0.00 0.00 -1.21 0.00 0.00 61.69 58.56 2jwu s THR 55 Cb -0.06 -2.23 0.00 0.00 -1.51 0.00 0.00 72.50 68.71 2jwu s THR 55 CO -0.01 -0.24 0.00 1.21 -2.21 0.00 0.00 174.62 173.37