#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 3.73 -0.15 12.58 2.01 -1.26 -0.69 115.64 131.87 2jwu s THR 2 Ca 0.00 0.85 -0.07 0.00 0.31 0.00 0.00 61.69 62.78 2jwu s THR 2 Cb 0.00 -3.66 -0.04 0.00 0.01 0.00 0.00 72.50 68.81 2jwu s THR 2 CO 0.00 -0.20 0.09 -0.31 -0.69 0.00 0.00 174.62 173.52 2jwu s TYR 3 N 4.62 3.40 -0.09 4.92 2.02 0.36 -4.83 117.35 127.75 2jwu s TYR 3 Ca 0.70 0.32 0.01 0.00 -0.37 0.00 0.00 57.07 57.73 2jwu s TYR 3 Cb -0.27 -1.99 -0.02 0.00 -0.40 0.00 0.00 41.96 39.27 2jwu s TYR 3 CO 0.27 0.45 -0.12 0.21 -1.57 0.00 0.00 175.55 174.80 2jwu s LYS 4 N -0.37 2.92 -0.02 -0.62 2.36 -1.00 0.50 119.74 123.51 2jwu s LYS 4 Ca 0.10 -0.66 0.02 0.00 -2.55 0.00 0.00 55.97 52.88 2jwu s LYS 4 Cb -0.12 -2.53 0.00 0.00 -1.05 0.00 0.00 37.83 34.13 2jwu s LYS 4 CO 0.01 0.46 -0.08 -1.17 1.55 0.00 0.00 175.35 176.13 2jwu s LEU 5 N -0.30 1.85 -0.08 5.43 2.96 -0.67 0.55 118.68 128.42 2jwu s LEU 5 Ca 0.03 -0.15 -0.01 0.00 -0.22 0.00 0.00 54.13 53.78 2jwu s LEU 5 Cb -0.13 -0.45 0.03 0.00 0.50 0.00 0.00 46.19 46.14 2jwu s LEU 5 CO 0.03 0.06 -0.01 0.27 -1.32 0.00 0.00 176.35 175.38 2jwu s ILE 6 N 0.09 0.47 -0.16 6.68 -4.36 -0.89 -1.17 121.20 121.86 2jwu s ILE 6 Ca -0.01 0.06 -0.03 0.00 -0.26 0.00 0.00 60.65 60.40 2jwu s ILE 6 Cb -0.06 -0.61 -0.02 0.00 1.25 0.00 0.00 42.46 43.02 2jwu s ILE 6 CO 0.00 0.27 -0.05 -0.76 0.24 0.00 0.00 174.94 174.64 2jwu s LEU 7 N 1.90 3.13 -0.46 0.37 1.02 0.29 -2.42 118.68 122.51 2jwu s LEU 7 Ca 0.04 -0.19 -0.01 0.00 0.02 0.00 0.00 54.13 54.00 2jwu s LEU 7 Cb -0.12 -1.75 0.12 0.00 0.02 0.00 0.00 46.19 44.46 2jwu s LEU 7 CO -0.06 0.15 0.24 0.20 0.02 0.00 0.00 176.35 176.91 2jwu s ASN 8 N 0.46 5.10 0.54 2.29 0.01 -1.03 -0.82 114.94 121.50 2jwu s ASN 8 Ca -0.05 -2.32 0.09 0.00 -0.71 0.00 0.00 52.86 49.87 2jwu s ASN 8 Cb -0.15 -1.79 0.09 0.00 0.41 0.00 0.00 41.25 39.81 2jwu s ASN 8 CO 0.03 -0.45 0.73 0.00 -1.51 0.00 0.00 177.10 175.89 2jwu n LEU 9 N 4.17 0.00 0.04 0.60 -0.00 -0.63 -2.29 117.00 118.89 2jwu n LEU 9 Ca 0.02 -2.38 -0.07 0.00 -0.00 0.00 0.00 56.01 53.57 2jwu n LEU 9 Cb 0.40 -0.37 -0.05 0.00 -0.00 0.00 0.00 43.42 43.40 2jwu n LEU 9 CO 0.32 -0.69 0.22 0.50 -0.00 0.00 0.00 177.39 177.74 2jwu h LYS 10 N 0.00 -0.20 0.00 1.47 3.64 -1.98 -3.31 116.57 116.19 2jwu h LYS 10 Ca -0.26 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.13 2jwu h LYS 10 Cb 1.18 0.05 0.00 0.00 -0.41 0.00 0.00 32.23 33.04 2jwu h LYS 10 CO 0.38 0.09 0.00 -0.56 -2.27 0.00 0.00 179.45 177.09 2jwu h GLN 11 N -1.00 0.00 0.00 1.90 3.07 -2.04 -3.46 115.11 113.59 2jwu h GLN 11 Ca -0.02 0.00 0.01 0.00 0.09 0.00 0.00 58.65 58.73 2jwu h GLN 11 Cb 0.38 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 27.94 2jwu h GLN 11 CO 0.03 0.00 0.03 0.00 0.09 0.00 0.00 178.83 178.99 2jwu n ALA 12 N -1.96 -0.12 -3.77 0.06 0.00 -1.24 -5.14 120.51 108.34 2jwu n ALA 12 Ca -0.02 -0.02 -0.28 0.00 0.00 0.00 0.00 53.44 53.12 2jwu n ALA 12 Cb 0.07 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.36 2jwu n ALA 12 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2jwu s LYS 13 N -2.00 0.79 -0.17 0.00 1.02 -1.26 -1.60 119.74 116.52 2jwu s LYS 13 Ca 0.01 -0.47 -0.05 0.00 0.02 0.00 0.00 55.97 55.48 2jwu s LYS 13 Cb -0.00 -2.12 -0.03 0.00 -0.52 0.00 0.00 37.83 35.16 2jwu s LYS 13 CO -0.00 -0.61 -0.01 -1.21 -0.92 0.00 0.00 175.35 172.60 2jwu s GLU 14 N 1.80 3.75 -0.10 1.68 0.41 0.00 -5.00 118.70 121.25 2jwu s GLU 14 Ca -0.01 -0.47 -0.10 0.00 -0.41 0.00 0.00 54.97 53.98 2jwu s GLU 14 Cb -0.17 -3.01 0.03 0.00 -1.78 0.00 0.00 34.13 29.20 2jwu s GLU 14 CO -0.08 0.24 0.28 -1.83 -0.49 0.00 0.00 175.26 173.38 2jwu s GLU 15 N 0.41 0.35 0.33 1.61 4.04 -1.26 0.10 118.70 124.28 2jwu s GLU 15 Ca -0.02 0.34 -0.12 0.00 0.04 0.00 0.00 54.97 55.21 2jwu s GLU 15 Cb -0.14 0.17 0.02 0.00 0.02 0.00 0.00 34.13 34.20 2jwu s GLU 15 CO 0.02 -0.05 0.63 0.00 -1.84 0.00 0.00 175.26 174.02 2jwu s ALA 16 N 0.03 -0.27 -0.04 -0.84 0.00 -0.32 -5.00 121.76 115.32 2jwu s ALA 16 Ca -0.01 -0.94 0.03 0.00 0.00 0.00 0.00 51.96 51.04 2jwu s ALA 16 Cb -0.02 0.92 0.00 0.00 0.00 0.00 0.00 23.12 24.02 2jwu s ALA 16 CO 0.01 -0.91 -0.13 -1.50 0.00 0.00 0.00 175.76 173.22 2jwu s ILE 17 N -3.08 1.15 0.36 0.00 1.10 -1.26 -1.68 121.20 117.80 2jwu s ILE 17 Ca 0.21 -0.55 0.04 0.00 -0.51 0.00 0.00 60.65 59.83 2jwu s ILE 17 Cb -0.03 -1.01 -0.05 0.00 0.15 0.00 0.00 42.46 41.52 2jwu s ILE 17 CO 0.13 0.34 0.08 -0.54 -2.11 0.00 0.00 174.94 172.85 2jwu s LYS 18 N 0.19 1.76 -0.05 3.50 -0.14 0.18 -5.00 119.74 120.20 2jwu s LYS 18 Ca -0.05 -2.02 0.06 0.00 -1.36 0.00 0.00 55.97 52.59 2jwu s LYS 18 Cb -0.11 -0.78 -0.02 0.00 -1.68 0.00 0.00 37.83 35.24 2jwu s LYS 18 CO 0.02 -0.30 -0.23 -1.21 -0.76 0.00 0.00 175.35 172.87 2jwu s GLU 19 N -3.83 2.41 0.25 1.68 2.02 -1.26 0.13 118.70 120.11 2jwu s GLU 19 Ca 0.31 -0.86 0.00 0.00 0.02 0.00 0.00 54.97 54.43 2jwu s GLU 19 Cb 0.06 -2.18 0.00 0.00 0.10 0.00 0.00 34.13 32.11 2jwu s GLU 19 CO 0.14 0.49 0.33 1.28 0.02 0.00 0.00 175.26 177.52 2jwu n LEU 20 N 2.66 0.00 -0.10 1.80 7.99 0.14 -4.86 117.00 124.63 2jwu n LEU 20 Ca -0.17 -2.13 -0.10 0.00 -0.01 0.00 0.00 56.01 53.60 2jwu n LEU 20 Cb 0.52 1.73 -0.15 0.00 -0.11 0.00 0.00 43.42 45.41 2jwu n LEU 20 CO 0.25 -0.46 -1.15 0.52 -1.51 0.00 0.00 177.39 175.04 2jwu n VAL 21 N -0.43 1.34 -3.83 4.08 0.31 -1.26 0.67 118.33 119.21 2jwu n VAL 21 Ca 0.01 -0.80 -0.09 0.00 -0.01 0.00 0.00 64.34 63.46 2jwu n VAL 21 Cb 0.43 -0.57 0.01 0.00 -0.91 0.00 0.00 33.84 32.80 2jwu n VAL 21 CO 0.00 0.00 0.00 -1.81 -1.32 0.00 0.00 176.83 173.70 2jwu s ASP 22 N -5.48 0.02 0.26 4.52 1.01 -1.26 -3.66 116.67 112.08 2jwu s ASP 22 Ca -0.12 -1.09 0.07 0.00 0.71 0.00 0.00 52.55 52.12 2jwu s ASP 22 Cb 0.06 0.82 0.32 0.00 1.01 0.00 0.00 42.92 45.13 2jwu s ASP 22 CO 0.77 -1.62 1.60 0.00 0.21 0.00 0.00 175.17 176.13 2jwu h ALA 23 N 2.01 0.93 -0.20 5.23 0.00 -1.97 -1.54 119.26 123.72 2jwu h ALA 23 Ca -0.30 -0.54 0.05 0.00 0.00 0.00 0.00 54.91 54.12 2jwu h ALA 23 Cb 1.25 -0.09 -0.06 0.00 0.00 0.00 0.00 17.79 18.89 2jwu h ALA 23 CO 0.38 0.73 -0.17 0.00 0.00 0.00 0.00 179.25 180.19 2jwu h ALA 24 N 1.29 -0.04 -0.25 0.00 0.00 -1.99 0.88 119.26 119.16 2jwu h ALA 24 Ca -0.01 0.07 -0.17 0.00 0.00 0.00 0.00 54.91 54.80 2jwu h ALA 24 Cb 1.08 0.36 -0.00 0.00 0.00 0.00 0.00 17.79 19.23 2jwu h ALA 24 CO 0.09 -0.60 -0.54 0.00 0.00 0.00 0.00 179.25 178.19 2jwu h THR 25 N -0.18 1.29 0.25 0.00 1.03 -1.96 -2.81 112.91 110.53 2jwu h THR 25 Ca 0.12 -1.75 0.01 0.00 -0.01 0.00 0.00 66.41 64.77 2jwu h THR 25 Cb 0.36 1.68 -0.03 0.00 -1.07 0.00 0.00 68.15 69.09 2jwu h THR 25 CO -0.30 0.56 -0.36 0.00 -0.01 0.00 0.00 175.52 175.40 2jwu h ALA 26 N 0.82 -0.71 -1.09 0.00 0.00 -0.37 0.17 119.26 118.07 2jwu h ALA 26 Ca 0.01 -0.09 0.30 0.00 0.00 0.00 0.00 54.91 55.13 2jwu h ALA 26 Cb 1.12 0.56 -0.09 0.00 0.00 0.00 0.00 17.79 19.38 2jwu h ALA 26 CO 0.11 -0.95 0.72 0.93 0.00 0.00 0.00 179.25 180.06 2jwu h GLU 27 N -0.68 0.28 -0.07 0.00 5.08 0.78 2.11 114.58 122.09 2jwu h GLU 27 Ca -0.00 -0.02 -0.07 0.00 -1.00 0.00 0.00 59.36 58.28 2jwu h GLU 27 Cb 0.65 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.84 2jwu h GLU 27 CO -0.13 0.19 -0.22 0.87 -1.00 0.00 0.00 179.01 178.72 2jwu h LYS 28 N 0.29 0.27 0.17 2.33 1.79 -0.78 -1.98 116.57 118.66 2jwu h LYS 28 Ca 0.61 -0.20 -0.01 0.00 -2.18 0.00 0.00 60.65 58.88 2jwu h LYS 28 Cb 1.75 0.03 0.00 0.00 -1.58 0.00 0.00 32.23 32.44 2jwu h LYS 28 CO -0.26 0.82 -0.08 -0.92 -1.08 0.00 0.00 179.45 177.93 2jwu h TYR 29 N -0.23 -0.22 -0.96 -1.35 5.03 0.20 -2.69 116.97 116.75 2jwu h TYR 29 Ca -0.01 -0.01 0.12 0.00 2.58 0.00 0.00 58.73 61.41 2jwu h TYR 29 Cb 0.84 0.07 -0.08 0.00 1.55 0.00 0.00 36.73 39.11 2jwu h TYR 29 CO 0.12 0.07 0.59 0.74 -1.32 0.00 0.00 178.16 178.37 2jwu h PHE 30 N -1.00 1.08 -0.25 -3.82 0.04 0.31 0.91 116.94 114.21 2jwu h PHE 30 Ca -0.02 0.03 -0.10 0.00 2.80 0.00 0.00 57.97 60.68 2jwu h PHE 30 Cb 0.39 -0.34 -0.00 0.00 2.20 0.00 0.00 35.95 38.20 2jwu h PHE 30 CO 0.05 0.42 -0.22 -0.22 -0.60 0.00 0.00 178.31 177.75 2jwu h LYS 31 N 0.94 0.59 -0.24 1.51 3.64 -1.46 -1.56 116.57 119.99 2jwu h LYS 31 Ca 0.48 -0.30 -0.03 0.00 -1.27 0.00 0.00 60.65 59.53 2jwu h LYS 31 Cb 0.47 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.28 2jwu h LYS 31 CO -0.27 0.89 0.02 -0.07 -2.27 0.00 0.00 179.45 177.75 2jwu h LEU 32 N 0.30 0.32 0.20 5.20 4.07 -1.02 0.59 115.31 124.97 2jwu h LEU 32 Ca 0.04 -0.04 -0.01 0.00 0.08 0.00 0.00 57.88 57.95 2jwu h LEU 32 Cb 0.77 -0.08 0.00 0.00 1.08 0.00 0.00 40.66 42.43 2jwu h LEU 32 CO 0.06 0.36 -0.10 0.22 -1.08 0.00 0.00 178.44 177.90 2jwu h TYR 33 N 0.34 -0.25 0.00 1.13 5.03 -0.68 -2.59 116.97 119.95 2jwu h TYR 33 Ca 0.08 -0.01 -0.02 0.00 2.58 0.00 0.00 58.73 61.36 2jwu h TYR 33 Cb 0.21 0.08 -0.00 0.00 1.55 0.00 0.00 36.73 38.57 2jwu h TYR 33 CO 0.00 0.13 -0.11 0.00 -1.32 0.00 0.00 178.16 176.87 2jwu h ALA 34 N -0.08 1.52 -0.20 1.82 0.00 -1.08 0.48 119.26 121.71 2jwu h ALA 34 Ca -0.03 -0.10 -0.15 0.00 0.00 0.00 0.00 54.91 54.63 2jwu h ALA 34 Cb 0.50 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 2jwu h ALA 34 CO 0.05 0.14 -0.50 -0.91 0.00 0.00 0.00 179.25 178.03 2jwu h ASN 35 N 0.00 0.61 0.44 0.00 2.35 -0.82 -3.02 115.58 115.13 2jwu h ASN 35 Ca -0.00 -0.30 -0.25 0.00 -0.55 0.00 0.00 56.30 55.19 2jwu h ASN 35 Cb 0.24 -0.17 -0.04 0.00 0.05 0.00 0.00 38.32 38.40 2jwu h ASN 35 CO 0.01 1.00 -1.76 0.00 -1.65 0.00 0.00 177.43 175.03 2jwu n ALA 36 N -2.51 1.71 -0.97 -0.83 0.00 -0.84 -4.64 120.51 112.43 2jwu n ALA 36 Ca -0.03 -0.79 0.00 0.00 0.00 0.00 0.00 53.44 52.62 2jwu n ALA 36 Cb 0.57 -0.75 0.00 0.00 0.00 0.00 0.00 19.45 19.28 2jwu n ALA 36 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2jwu n LYS 37 N -2.89 0.00 0.00 0.00 4.01 0.16 -4.96 118.16 114.48 2jwu n LYS 37 Ca -0.17 0.02 0.00 0.00 -0.51 0.00 0.00 58.31 57.65 2jwu n LYS 37 Cb 0.98 -0.84 0.00 0.00 -0.51 0.00 0.00 35.03 34.66 2jwu n LYS 37 CO 0.00 0.00 0.00 -2.37 -1.11 0.00 0.00 177.40 173.92 2jwu n THR 38 N -0.55 0.00 -3.81 -0.18 5.66 -1.15 -5.07 114.28 109.18 2jwu n THR 38 Ca 0.00 0.00 -0.10 0.00 -3.05 0.00 0.00 64.05 60.90 2jwu n THR 38 Cb 0.00 -0.12 -0.05 0.00 -1.55 0.00 0.00 70.33 68.61 2jwu n THR 38 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 175.07 171.33 2jwu s VAL 39 N 0.49 0.05 -0.48 1.08 1.01 -1.20 -4.91 120.40 116.44 2jwu s VAL 39 Ca 0.00 -1.00 -0.17 0.00 0.00 0.00 0.00 61.98 60.81 2jwu s VAL 39 Cb 0.00 -1.62 0.06 0.00 0.00 0.00 0.00 36.38 34.82 2jwu s VAL 39 CO 0.00 -0.23 0.51 -1.61 0.00 0.00 0.00 175.10 173.77 2jwu s GLU 40 N -3.90 3.06 0.00 2.72 0.41 -1.26 -4.77 118.70 114.96 2jwu s GLU 40 Ca 0.11 -1.06 0.00 0.00 -0.41 0.00 0.00 54.97 53.61 2jwu s GLU 40 Cb 0.01 -4.10 0.00 0.00 -1.78 0.00 0.00 34.13 28.26 2jwu s GLU 40 CO -0.03 -1.10 0.00 0.41 -0.49 0.00 0.00 175.26 174.04 2jwu n GLY 41 N 5.18 4.00 3.72 -1.39 0.00 -1.25 -5.05 105.19 110.40 2jwu n GLY 41 Ca -0.09 -0.75 -0.35 0.00 0.00 0.00 0.00 46.02 44.83 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 3.75 2.19 -0.04 1.61 -7.23 -0.64 -4.79 120.40 115.26 2jwu s VAL 42 Ca 0.00 0.10 0.02 0.00 -1.81 0.00 0.00 61.98 60.29 2jwu s VAL 42 Cb 0.00 -2.70 0.01 0.00 0.56 0.00 0.00 36.38 34.25 2jwu s VAL 42 CO 0.00 -0.05 -0.08 0.26 -0.31 0.00 0.00 175.10 174.92 2jwu s TRP 43 N -1.91 0.95 -0.12 2.82 0.52 -1.26 -2.43 118.94 117.51 2jwu s TRP 43 Ca 0.76 -0.27 -0.03 0.00 0.02 0.00 0.00 56.10 56.58 2jwu s TRP 43 Cb -0.31 -0.72 0.05 0.00 -1.15 0.00 0.00 33.47 31.34 2jwu s TRP 43 CO 0.45 -0.15 0.05 0.99 0.02 0.00 0.00 176.95 178.32 2jwu s THR 44 N 0.47 0.12 0.20 2.01 2.01 0.33 -4.96 115.64 115.81 2jwu s THR 44 Ca -0.07 -0.04 -0.05 0.00 0.31 0.00 0.00 61.69 61.84 2jwu s THR 44 Cb -0.11 -0.55 -0.06 0.00 0.01 0.00 0.00 72.50 71.79 2jwu s THR 44 CO 0.01 -0.04 0.45 -0.47 -0.69 0.00 0.00 174.62 173.88 2jwu s TYR 45 N 2.06 3.46 -0.52 4.92 5.04 -1.26 0.10 117.35 131.15 2jwu s TYR 45 Ca 0.03 0.62 0.03 0.00 -2.44 0.00 0.00 57.07 55.31 2jwu s TYR 45 Cb -0.14 -2.07 0.15 0.00 0.35 0.00 0.00 41.96 40.25 2jwu s TYR 45 CO -0.07 0.34 0.32 0.21 -1.34 0.00 0.00 175.55 175.01 2jwu s LYS 46 N -2.94 1.68 0.66 4.97 2.36 0.25 -4.94 119.74 121.79 2jwu s LYS 46 Ca 0.43 -2.48 0.40 0.00 -2.55 0.00 0.00 55.97 51.77 2jwu s LYS 46 Cb -0.11 -2.71 2.20 0.00 -1.05 0.00 0.00 37.83 36.15 2jwu s LYS 46 CO 0.25 -1.21 2.25 0.22 1.55 0.00 0.00 175.35 178.42 2jwu h ASP 47 N 6.23 0.00 -1.08 1.43 1.82 -1.95 0.57 116.42 123.43 2jwu h ASP 47 Ca 0.04 0.00 0.30 0.00 -0.39 0.00 0.00 57.03 56.99 2jwu h ASP 47 Cb 0.87 0.00 -0.06 0.00 0.68 0.00 0.00 39.33 40.82 2jwu h ASP 47 CO 0.57 0.00 0.75 -0.08 -1.61 0.00 0.00 179.24 178.87 2jwu h GLU 48 N 0.00 0.15 0.00 0.28 4.81 -1.96 -3.25 114.58 114.62 2jwu h GLU 48 Ca 0.00 -0.01 -0.11 0.00 -0.13 0.00 0.00 59.36 59.11 2jwu h GLU 48 Cb 0.19 -0.03 -0.11 0.00 0.63 0.00 0.00 28.75 29.42 2jwu h GLU 48 CO -0.00 0.10 -0.24 2.41 -0.73 0.00 0.00 179.01 180.55 2jwu n THR 49 N -4.38 0.00 -2.97 0.32 -1.04 -0.89 -5.07 114.28 100.27 2jwu n THR 49 Ca 0.24 0.00 -0.13 0.00 -2.04 0.00 0.00 64.05 62.13 2jwu n THR 49 Cb 1.06 0.42 0.01 0.00 -1.82 0.00 0.00 70.33 70.00 2jwu n THR 49 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 2jwu n LYS 50 N 0.00 -2.38 -3.68 -2.82 5.02 0.13 -4.74 118.16 109.70 2jwu n LYS 50 Ca -0.23 2.04 -0.15 0.00 -2.02 0.00 0.00 58.31 57.95 2jwu n LYS 50 Cb 0.64 -4.83 -0.15 0.00 -0.02 0.00 0.00 35.03 30.68 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 -2.23 -0.27 0.17 -0.18 2.01 -0.84 -2.38 115.64 111.92 2jwu s THR 51 Ca 0.24 0.30 -0.09 0.00 0.31 0.00 0.00 61.69 62.45 2jwu s THR 51 Cb -0.05 -0.34 -0.06 0.00 0.01 0.00 0.00 72.50 72.05 2jwu s THR 51 CO 0.77 0.13 0.48 -0.36 -0.69 0.00 0.00 174.62 174.94 2jwu s PHE 52 N 2.14 3.49 -0.21 4.92 0.40 0.19 0.85 117.98 129.75 2jwu s PHE 52 Ca 0.00 0.79 -0.04 0.00 -0.60 0.00 0.00 56.93 57.09 2jwu s PHE 52 Cb -0.12 -2.19 0.09 0.00 0.51 0.00 0.00 43.02 41.31 2jwu s PHE 52 CO -0.07 0.37 0.16 0.99 0.70 0.00 0.00 175.22 177.37 2jwu s THR 53 N -1.66 -0.19 -0.03 0.64 2.01 0.28 -2.10 115.64 114.60 2jwu s THR 53 Ca 0.42 -0.29 0.06 0.00 0.31 0.00 0.00 61.69 62.19 2jwu s THR 53 Cb -0.12 -0.72 -0.01 0.00 0.01 0.00 0.00 72.50 71.65 2jwu s THR 53 CO 0.21 -0.36 -0.21 0.54 -0.69 0.00 0.00 174.62 174.12 2jwu s VAL 54 N 2.21 1.64 0.24 3.82 0.11 -1.02 0.12 120.40 127.52 2jwu s VAL 54 Ca 0.06 -0.87 0.00 0.00 -2.93 0.00 0.00 61.98 58.23 2jwu s VAL 54 Cb -0.16 -1.38 -0.03 0.00 -1.53 0.00 0.00 36.38 33.28 2jwu s VAL 54 CO -0.18 0.47 0.19 0.28 -3.33 0.00 0.00 175.10 172.53 2jwu s THR 55 N -0.33 0.00 -2.11 5.04 -1.32 -1.02 -2.45 115.64 113.45 2jwu s THR 55 Ca 0.04 -1.95 0.31 0.00 -1.21 0.00 0.00 61.69 58.88 2jwu s THR 55 Cb -0.09 -2.49 0.83 0.00 -1.51 0.00 0.00 72.50 69.24 2jwu s THR 55 CO 0.00 0.00 2.13 -1.84 -2.21 0.00 0.00 174.62 172.70