#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 2.17 -0.13 12.58 2.01 -1.26 0.71 115.64 131.72 2jwu s THR 2 Ca 0.00 -1.11 -0.03 0.00 0.31 0.00 0.00 61.69 60.86 2jwu s THR 2 Cb 0.00 -2.02 -0.03 0.00 0.01 0.00 0.00 72.50 70.46 2jwu s THR 2 CO 0.00 0.37 -0.00 -0.31 -0.69 0.00 0.00 174.62 173.99 2jwu s TYR 3 N 1.25 3.13 -0.04 4.92 2.02 0.31 -4.82 117.35 124.11 2jwu s TYR 3 Ca 0.01 0.00 0.01 0.00 -0.37 0.00 0.00 57.07 56.72 2jwu s TYR 3 Cb -0.15 -1.90 -0.03 0.00 -0.40 0.00 0.00 41.96 39.48 2jwu s TYR 3 CO -0.10 0.24 -0.04 0.21 -1.57 0.00 0.00 175.55 174.28 2jwu s LYS 4 N -0.23 2.76 0.01 -0.62 2.20 -1.02 0.11 119.74 122.95 2jwu s LYS 4 Ca 0.05 -0.57 0.01 0.00 -0.36 0.00 0.00 55.97 55.10 2jwu s LYS 4 Cb -0.12 -2.62 -0.01 0.00 -1.51 0.00 0.00 37.83 33.56 2jwu s LYS 4 CO 0.02 0.65 -0.03 -1.17 -0.36 0.00 0.00 175.35 174.46 2jwu s LEU 5 N -1.09 2.08 -0.07 5.43 2.96 -0.85 0.10 118.68 127.24 2jwu s LEU 5 Ca 0.15 -0.19 0.01 0.00 -0.22 0.00 0.00 54.13 53.88 2jwu s LEU 5 Cb -0.11 -0.11 0.02 0.00 0.50 0.00 0.00 46.19 46.49 2jwu s LEU 5 CO 0.05 -0.05 -0.07 -0.51 -1.32 0.00 0.00 176.35 174.44 2jwu s ILE 6 N -0.46 0.79 -0.12 6.68 2.07 -0.97 -2.13 121.20 127.05 2jwu s ILE 6 Ca -0.03 -0.24 0.03 0.00 -1.41 0.00 0.00 60.65 59.00 2jwu s ILE 6 Cb -0.04 -0.79 0.01 0.00 0.13 0.00 0.00 42.46 41.77 2jwu s ILE 6 CO -0.00 0.29 -0.22 -0.76 -1.91 0.00 0.00 174.94 172.35 2jwu s LEU 7 N 1.08 2.05 -0.57 8.50 1.02 0.25 -0.92 118.68 130.09 2jwu s LEU 7 Ca -0.08 -0.57 -0.07 0.00 0.02 0.00 0.00 54.13 53.44 2jwu s LEU 7 Cb -0.14 -1.38 0.15 0.00 0.02 0.00 0.00 46.19 44.83 2jwu s LEU 7 CO -0.01 0.09 0.42 0.21 0.02 0.00 0.00 176.35 177.09 2jwu s ASN 8 N 0.70 5.65 0.74 2.29 3.84 -1.02 -1.35 114.94 125.79 2jwu s ASN 8 Ca -0.10 -2.35 -0.02 0.00 0.21 0.00 0.00 52.86 50.59 2jwu s ASN 8 Cb -0.16 -1.97 0.13 0.00 -0.55 0.00 0.00 41.25 38.71 2jwu s ASN 8 CO 0.01 -0.55 1.02 -0.76 -2.79 0.00 0.00 177.10 174.03 2jwu s LEU 9 N 0.70 2.95 0.12 3.21 2.01 -1.06 -1.38 118.68 125.22 2jwu s LEU 9 Ca 0.11 -0.30 0.14 0.00 0.01 0.00 0.00 54.13 54.09 2jwu s LEU 9 Cb -0.21 -2.02 -0.10 0.00 0.01 0.00 0.00 46.19 43.86 2jwu s LEU 9 CO -0.03 -1.94 1.08 0.11 1.01 0.00 0.00 176.35 176.58 2jwu h LYS 10 N -0.63 0.00 0.20 1.70 1.57 -1.98 -3.34 116.57 114.08 2jwu h LYS 10 Ca -0.37 0.00 -0.32 0.00 -1.87 0.00 0.00 60.65 58.09 2jwu h LYS 10 Cb 1.26 0.00 0.04 0.00 0.08 0.00 0.00 32.23 33.61 2jwu h LYS 10 CO 0.40 0.53 -1.37 1.96 -0.57 0.00 0.00 179.45 180.40 2jwu h GLN 11 N 0.00 0.58 -1.64 3.15 4.20 -1.99 -3.49 115.11 115.92 2jwu h GLN 11 Ca -0.10 -0.89 0.28 0.00 0.06 0.00 0.00 58.65 58.00 2jwu h GLN 11 Cb 1.63 0.32 -0.12 0.00 0.30 0.00 0.00 27.48 29.60 2jwu h GLN 11 CO 0.07 1.42 0.75 0.00 -0.67 0.00 0.00 178.83 180.40 2jwu s ALA 12 N -2.76 -2.09 -0.25 3.87 0.00 -1.26 -5.14 121.76 114.14 2jwu s ALA 12 Ca -0.09 0.75 -0.16 0.00 0.00 0.00 0.00 51.96 52.45 2jwu s ALA 12 Cb 0.05 0.34 -0.04 0.00 0.00 0.00 0.00 23.12 23.47 2jwu s ALA 12 CO 0.94 -0.97 0.41 0.15 0.00 0.00 0.00 175.76 176.30 2jwu s LYS 13 N -2.60 4.08 -0.15 0.00 1.02 -1.26 -2.58 119.74 118.25 2jwu s LYS 13 Ca 0.13 0.16 0.01 0.00 0.02 0.00 0.00 55.97 56.28 2jwu s LYS 13 Cb 0.03 -3.62 0.02 0.00 -0.52 0.00 0.00 37.83 33.74 2jwu s LYS 13 CO -0.03 -0.22 -0.16 -2.00 -0.92 0.00 0.00 175.35 172.02 2jwu s GLU 14 N 1.89 2.45 -0.11 1.68 2.56 -0.46 -5.00 118.70 121.71 2jwu s GLU 14 Ca 0.18 -0.62 -0.07 0.00 0.00 0.00 0.00 54.97 54.45 2jwu s GLU 14 Cb -0.15 -2.17 0.04 0.00 2.00 0.00 0.00 34.13 33.85 2jwu s GLU 14 CO 0.09 -0.19 0.28 -1.83 -0.56 0.00 0.00 175.26 173.06 2jwu s GLU 15 N 1.32 0.27 0.17 4.30 4.04 -1.26 -0.59 118.70 126.95 2jwu s GLU 15 Ca 0.02 0.52 0.03 0.00 0.04 0.00 0.00 54.97 55.58 2jwu s GLU 15 Cb -0.13 -0.02 -0.01 0.00 0.02 0.00 0.00 34.13 33.99 2jwu s GLU 15 CO -0.09 -0.12 0.17 0.00 -1.84 0.00 0.00 175.26 173.38 2jwu n ALA 16 N 3.82 0.21 -2.60 -0.84 0.00 -0.91 -5.00 120.51 115.18 2jwu n ALA 16 Ca -0.21 -0.92 -0.23 0.00 0.00 0.00 0.00 53.44 52.08 2jwu n ALA 16 Cb 0.55 0.74 -0.15 0.00 0.00 0.00 0.00 19.45 20.59 2jwu n ALA 16 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.50 176.00 2jwu s ILE 17 N -2.65 1.18 0.43 0.00 1.10 -1.26 -2.00 121.20 117.99 2jwu s ILE 17 Ca 0.18 -0.63 0.04 0.00 -0.51 0.00 0.00 60.65 59.74 2jwu s ILE 17 Cb 0.01 -0.99 -0.05 0.00 0.15 0.00 0.00 42.46 41.58 2jwu s ILE 17 CO 0.13 0.34 0.03 -0.54 -2.11 0.00 0.00 174.94 172.78 2jwu s LYS 18 N -0.29 1.98 -0.11 3.50 -0.14 0.30 -4.97 119.74 120.01 2jwu s LYS 18 Ca 0.05 -2.18 0.03 0.00 -1.36 0.00 0.00 55.97 52.51 2jwu s LYS 18 Cb -0.06 -1.40 0.01 0.00 -1.68 0.00 0.00 37.83 34.70 2jwu s LYS 18 CO -0.00 -0.20 -0.20 -1.21 -0.76 0.00 0.00 175.35 172.97 2jwu s GLU 19 N -3.79 2.72 0.25 1.68 2.02 -1.26 0.11 118.70 120.43 2jwu s GLU 19 Ca 0.25 -0.76 0.02 0.00 0.02 0.00 0.00 54.97 54.51 2jwu s GLU 19 Cb 0.07 -2.15 -0.01 0.00 0.10 0.00 0.00 34.13 32.14 2jwu s GLU 19 CO 0.13 0.06 0.28 1.28 0.02 0.00 0.00 175.26 177.02 2jwu n LEU 20 N 3.84 0.00 -0.09 1.80 7.99 0.22 -4.89 117.00 125.87 2jwu n LEU 20 Ca -0.20 -2.19 -0.11 0.00 -0.01 0.00 0.00 56.01 53.50 2jwu n LEU 20 Cb 0.52 1.52 -0.12 0.00 -0.11 0.00 0.00 43.42 45.23 2jwu n LEU 20 CO 0.27 -0.43 -1.11 0.52 -1.51 0.00 0.00 177.39 175.13 2jwu n VAL 21 N -0.44 1.18 -3.99 4.08 0.31 -1.26 -0.92 118.33 117.29 2jwu n VAL 21 Ca 0.03 -0.61 -0.10 0.00 -0.01 0.00 0.00 64.34 63.65 2jwu n VAL 21 Cb 0.43 -0.85 -0.03 0.00 -0.91 0.00 0.00 33.84 32.49 2jwu n VAL 21 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 2jwu n ASP 22 N -2.83 -0.65 -0.00 4.52 5.75 -1.26 -4.23 116.55 117.85 2jwu n ASP 22 Ca -0.32 -2.20 -0.21 0.00 -0.01 0.00 0.00 54.79 52.06 2jwu n ASP 22 Cb 0.99 1.31 -0.14 0.00 -1.03 0.00 0.00 41.12 42.24 2jwu n ASP 22 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2jwu h ALA 23 N 1.73 0.14 -0.63 2.12 0.00 -1.97 -2.56 119.26 118.08 2jwu h ALA 23 Ca -0.15 -1.01 0.12 0.00 0.00 0.00 0.00 54.91 53.87 2jwu h ALA 23 Cb 0.71 0.42 -0.12 0.00 0.00 0.00 0.00 17.79 18.80 2jwu h ALA 23 CO 0.21 0.71 -0.22 0.00 0.00 0.00 0.00 179.25 179.95 2jwu h ALA 24 N -0.07 0.27 -0.41 0.00 0.00 -1.99 1.03 119.26 118.09 2jwu h ALA 24 Ca -0.27 0.23 -0.14 0.00 0.00 0.00 0.00 54.91 54.73 2jwu h ALA 24 Cb 1.66 0.60 -0.01 0.00 0.00 0.00 0.00 17.79 20.03 2jwu h ALA 24 CO 0.04 -0.51 -0.28 1.15 0.00 0.00 0.00 179.25 179.65 2jwu h THR 25 N -0.06 1.27 -0.20 0.00 2.02 -2.00 -2.79 112.91 111.15 2jwu h THR 25 Ca 0.29 -1.44 0.06 0.00 0.77 0.00 0.00 66.41 66.08 2jwu h THR 25 Cb 0.51 1.29 -0.06 0.00 -1.74 0.00 0.00 68.15 68.15 2jwu h THR 25 CO -0.68 0.49 -0.21 0.00 0.37 0.00 0.00 175.52 175.48 2jwu h ALA 26 N 0.81 -0.11 -0.92 6.16 0.00 -0.10 0.32 119.26 125.42 2jwu h ALA 26 Ca 0.08 0.07 0.22 0.00 0.00 0.00 0.00 54.91 55.28 2jwu h ALA 26 Cb 0.86 0.44 -0.07 0.00 0.00 0.00 0.00 17.79 19.03 2jwu h ALA 26 CO 0.08 -0.65 0.61 0.93 0.00 0.00 0.00 179.25 180.22 2jwu h GLU 27 N -0.23 0.34 0.01 0.00 5.08 0.10 1.65 114.58 121.52 2jwu h GLU 27 Ca 0.12 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.46 2jwu h GLU 27 Cb 0.42 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.60 2jwu h GLU 27 CO -0.34 0.23 -0.00 -0.22 -1.00 0.00 0.00 179.01 177.67 2jwu h LYS 28 N 0.35 -0.01 0.40 2.33 3.64 -0.22 -1.36 116.57 121.71 2jwu h LYS 28 Ca 0.48 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.84 2jwu h LYS 28 Cb 1.28 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.11 2jwu h LYS 28 CO -0.17 0.47 -0.19 -0.92 -2.27 0.00 0.00 179.45 176.37 2jwu h TYR 29 N -0.49 -0.50 -0.79 1.91 5.03 0.85 -2.70 116.97 120.28 2jwu h TYR 29 Ca -0.00 -0.01 0.13 0.00 2.58 0.00 0.00 58.73 61.43 2jwu h TYR 29 Cb 0.48 0.16 -0.09 0.00 1.55 0.00 0.00 36.73 38.84 2jwu h TYR 29 CO 0.09 -0.26 0.38 0.74 -1.32 0.00 0.00 178.16 177.79 2jwu h PHE 30 N -1.11 0.67 -0.67 -3.82 0.04 0.22 -0.12 116.94 112.15 2jwu h PHE 30 Ca -0.05 0.03 -0.05 0.00 2.80 0.00 0.00 57.97 60.70 2jwu h PHE 30 Cb 0.46 -0.18 -0.03 0.00 2.20 0.00 0.00 35.95 38.40 2jwu h PHE 30 CO 0.01 0.16 0.22 -0.22 -0.60 0.00 0.00 178.31 177.88 2jwu h LYS 31 N 0.57 1.02 0.00 1.51 3.64 -1.34 -0.74 116.57 121.23 2jwu h LYS 31 Ca 0.42 -0.20 -0.03 0.00 -1.27 0.00 0.00 60.65 59.57 2jwu h LYS 31 Cb 0.57 -0.16 -0.00 0.00 -0.41 0.00 0.00 32.23 32.23 2jwu h LYS 31 CO -0.35 0.87 -0.13 1.25 -2.27 0.00 0.00 179.45 178.81 2jwu h LEU 32 N 0.99 0.00 0.00 5.20 7.12 -0.71 -0.89 115.31 127.01 2jwu h LEU 32 Ca 0.22 0.00 -0.02 0.00 0.13 0.00 0.00 57.88 58.21 2jwu h LEU 32 Cb 0.27 0.00 -0.00 0.00 -0.53 0.00 0.00 40.66 40.40 2jwu h LEU 32 CO -0.01 0.13 -0.18 0.22 -0.13 0.00 0.00 178.44 178.48 2jwu h TYR 33 N 0.00 0.00 -0.03 1.25 5.03 -0.31 -2.49 116.97 120.42 2jwu h TYR 33 Ca -0.00 0.00 0.01 0.00 2.58 0.00 0.00 58.73 61.32 2jwu h TYR 33 Cb 0.42 0.00 -0.00 0.00 1.55 0.00 0.00 36.73 38.70 2jwu h TYR 33 CO 0.00 0.37 0.02 0.00 -1.32 0.00 0.00 178.16 177.24 2jwu h ALA 34 N -0.71 2.00 0.00 1.82 0.00 -1.16 0.93 119.26 122.14 2jwu h ALA 34 Ca -0.03 -0.00 -0.16 0.00 0.00 0.00 0.00 54.91 54.72 2jwu h ALA 34 Cb 0.43 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.20 2jwu h ALA 34 CO -0.02 -0.04 -0.99 -0.97 0.00 0.00 0.00 179.25 177.24 2jwu h ASN 35 N 0.00 0.00 0.00 0.00 -0.73 -1.29 0.89 115.58 114.45 2jwu h ASN 35 Ca 0.02 0.00 -0.16 0.00 1.87 0.00 0.00 56.30 58.03 2jwu h ASN 35 Cb 0.07 0.00 -0.02 0.00 0.27 0.00 0.00 38.32 38.63 2jwu h ASN 35 CO -0.00 0.68 -1.15 0.00 -0.37 0.00 0.00 177.43 176.59 2jwu n ALA 36 N -2.33 0.74 0.16 1.57 0.00 -0.59 -4.38 120.51 115.68 2jwu n ALA 36 Ca -0.04 -0.59 -0.14 0.00 0.00 0.00 0.00 53.44 52.67 2jwu n ALA 36 Cb 0.84 -0.19 -0.07 0.00 0.00 0.00 0.00 19.45 20.04 2jwu n ALA 36 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 2jwu h LYS 37 N -1.00 -0.43 0.00 0.00 6.56 0.64 -3.45 116.57 118.89 2jwu h LYS 37 Ca -0.24 0.03 0.00 0.00 -1.06 0.00 0.00 60.65 59.38 2jwu h LYS 37 Cb 1.03 0.10 0.00 0.00 -0.57 0.00 0.00 32.23 32.79 2jwu h LYS 37 CO -0.14 -0.29 0.00 0.25 -2.06 0.00 0.00 179.45 177.21 2jwu n THR 38 N -5.32 0.00 -3.63 -0.16 -2.24 -1.19 -5.07 114.28 96.67 2jwu n THR 38 Ca -0.08 0.00 -0.02 0.00 -2.27 0.00 0.00 64.05 61.67 2jwu n THR 38 Cb 0.24 -0.03 -0.02 0.00 -2.10 0.00 0.00 70.33 68.42 2jwu n THR 38 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2jwu s VAL 39 N 0.00 0.00 -0.16 2.28 0.11 0.31 -4.84 120.40 118.10 2jwu s VAL 39 Ca 0.00 -0.01 -0.13 0.00 -2.93 0.00 0.00 61.98 58.92 2jwu s VAL 39 Cb 0.00 -1.08 -0.05 0.00 -1.53 0.00 0.00 36.38 33.72 2jwu s VAL 39 CO 0.00 0.00 0.26 -1.61 -3.33 0.00 0.00 175.10 170.42 2jwu s GLU 40 N -2.15 4.19 0.00 1.54 2.02 -1.25 -4.55 118.70 118.50 2jwu s GLU 40 Ca 0.11 0.04 0.00 0.00 0.02 0.00 0.00 54.97 55.14 2jwu s GLU 40 Cb -0.00 -3.40 0.00 0.00 0.10 0.00 0.00 34.13 30.82 2jwu s GLU 40 CO -0.03 0.29 0.00 0.41 0.02 0.00 0.00 175.26 175.95 2jwu n GLY 41 N 3.28 3.75 3.53 -1.39 0.00 -1.23 -4.96 105.19 108.17 2jwu n GLY 41 Ca -0.13 -0.45 -0.42 0.00 0.00 0.00 0.00 46.02 45.01 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 2.82 4.14 0.30 1.61 -7.23 0.77 -4.83 120.40 117.99 2jwu s VAL 42 Ca 0.00 0.37 -0.23 0.00 -1.81 0.00 0.00 61.98 60.31 2jwu s VAL 42 Cb 0.00 -4.69 -0.09 0.00 0.56 0.00 0.00 36.38 32.16 2jwu s VAL 42 CO 0.00 -1.38 0.86 0.26 -0.31 0.00 0.00 175.10 174.53 2jwu s TRP 43 N 4.60 3.63 -0.28 2.82 0.52 -1.26 -2.35 118.94 126.61 2jwu s TRP 43 Ca 0.33 1.61 -0.01 0.00 0.02 0.00 0.00 56.10 58.05 2jwu s TRP 43 Cb -0.11 -2.80 0.17 0.00 -1.15 0.00 0.00 33.47 29.58 2jwu s TRP 43 CO 0.19 0.22 0.51 0.95 0.02 0.00 0.00 176.95 178.83 2jwu s THR 44 N -1.66 -0.85 0.33 2.01 -4.23 0.46 -4.95 115.64 106.76 2jwu s THR 44 Ca 0.49 -0.03 -0.07 0.00 -1.18 0.00 0.00 61.69 60.90 2jwu s THR 44 Cb -0.17 -0.93 -0.06 0.00 1.34 0.00 0.00 72.50 72.69 2jwu s THR 44 CO 0.21 -0.05 0.63 -0.47 -0.54 0.00 0.00 174.62 174.41 2jwu s TYR 45 N 2.74 3.47 -0.14 3.99 5.04 -1.26 0.38 117.35 131.56 2jwu s TYR 45 Ca 0.17 0.80 0.00 0.00 -2.44 0.00 0.00 57.07 55.60 2jwu s TYR 45 Cb -0.15 -2.24 0.03 0.00 0.35 0.00 0.00 41.96 39.95 2jwu s TYR 45 CO -0.19 0.07 -0.11 0.21 -1.34 0.00 0.00 175.55 174.18 2jwu s LYS 46 N -3.64 1.99 -0.45 4.97 2.36 0.98 -4.92 119.74 121.03 2jwu s LYS 46 Ca 0.47 -0.48 -0.02 0.00 -2.55 0.00 0.00 55.97 53.39 2jwu s LYS 46 Cb -0.11 -1.96 0.18 0.00 -1.05 0.00 0.00 37.83 34.90 2jwu s LYS 46 CO 0.30 -0.27 2.35 -3.47 1.55 0.00 0.00 175.35 175.81 2jwu n ASP 47 N 4.83 6.67 -0.07 1.43 -0.08 -1.26 -2.43 116.55 125.63 2jwu n ASP 47 Ca -0.15 -3.25 -0.08 0.00 -1.51 0.00 0.00 54.79 49.81 2jwu n ASP 47 Cb 0.50 -1.13 -0.12 0.00 2.34 0.00 0.00 41.12 42.71 2jwu n ASP 47 CO 0.00 0.00 0.00 1.21 0.12 0.00 0.00 177.20 178.53 2jwu n GLU 48 N 0.39 1.52 -1.90 -0.67 0.00 -1.26 -4.84 120.64 113.88 2jwu n GLU 48 Ca 0.43 -0.01 -0.01 0.00 0.00 0.00 0.00 57.16 57.58 2jwu n GLU 48 Cb 0.55 -1.39 0.05 0.00 0.00 0.00 0.00 31.44 30.65 2jwu n GLU 48 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.13 177.38 2jwu n THR 49 N -2.56 0.00 -2.95 6.31 -2.24 -1.26 -5.04 114.28 106.54 2jwu n THR 49 Ca -0.25 -0.36 -0.01 0.00 -2.27 0.00 0.00 64.05 61.16 2jwu n THR 49 Cb 0.99 0.67 0.00 0.00 -2.10 0.00 0.00 70.33 69.89 2jwu n THR 49 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2jwu n LYS 50 N -0.56 -1.40 -4.33 -0.78 4.01 -1.25 -4.79 118.16 109.05 2jwu n LYS 50 Ca -0.07 1.54 -0.19 0.00 -0.51 0.00 0.00 58.31 59.08 2jwu n LYS 50 Cb 0.63 -5.54 -0.14 0.00 -0.51 0.00 0.00 35.03 29.48 2jwu n LYS 50 CO 0.00 0.00 0.00 0.99 -1.11 0.00 0.00 177.40 177.28 2jwu s THR 51 N -2.93 0.92 0.13 -0.18 2.01 -1.02 -2.43 115.64 112.14 2jwu s THR 51 Ca 0.04 -0.80 0.10 0.00 0.31 0.00 0.00 61.69 61.33 2jwu s THR 51 Cb -0.01 -0.83 -0.04 0.00 0.01 0.00 0.00 72.50 71.63 2jwu s THR 51 CO 0.71 0.03 -0.22 -0.36 -0.69 0.00 0.00 174.62 174.10 2jwu s PHE 52 N -0.70 2.44 -0.13 4.92 0.40 0.28 -0.01 117.98 125.18 2jwu s PHE 52 Ca 0.01 -0.31 -0.04 0.00 -0.60 0.00 0.00 56.93 55.99 2jwu s PHE 52 Cb -0.07 -1.30 0.06 0.00 0.51 0.00 0.00 43.02 42.22 2jwu s PHE 52 CO 0.01 0.37 0.14 0.99 0.70 0.00 0.00 175.22 177.43 2jwu s THR 53 N -1.14 -0.21 -0.00 0.64 2.01 0.16 -2.30 115.64 114.80 2jwu s THR 53 Ca 0.17 0.10 0.01 0.00 0.31 0.00 0.00 61.69 62.27 2jwu s THR 53 Cb -0.10 -0.45 -0.00 0.00 0.01 0.00 0.00 72.50 71.96 2jwu s THR 53 CO 0.09 -0.06 -0.02 0.54 -0.69 0.00 0.00 174.62 174.48 2jwu s VAL 54 N 2.24 0.15 0.17 3.82 0.11 -0.10 0.17 120.40 126.96 2jwu s VAL 54 Ca 0.04 -0.07 -0.02 0.00 -2.93 0.00 0.00 61.98 58.99 2jwu s VAL 54 Cb -0.14 -0.13 -0.04 0.00 -1.53 0.00 0.00 36.38 34.54 2jwu s VAL 54 CO -0.08 0.04 0.13 0.28 -3.33 0.00 0.00 175.10 172.15 2jwu s THR 55 N -0.01 0.05 0.00 5.04 -1.32 -0.99 -2.45 115.64 115.96 2jwu s THR 55 Ca 0.00 -1.87 0.00 0.00 -1.21 0.00 0.00 61.69 58.61 2jwu s THR 55 Cb -0.01 -2.23 0.00 0.00 -1.51 0.00 0.00 72.50 68.75 2jwu s THR 55 CO -0.00 -0.23 0.00 1.21 -2.21 0.00 0.00 174.62 173.39