#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 5.01 -0.17 12.58 2.01 -1.26 0.76 115.64 134.58 2jwu s THR 2 Ca 0.00 0.64 -0.07 0.00 0.31 0.00 0.00 61.69 62.57 2jwu s THR 2 Cb 0.00 -3.93 -0.04 0.00 0.01 0.00 0.00 72.50 68.54 2jwu s THR 2 CO 0.00 -0.10 0.06 -0.31 -0.69 0.00 0.00 174.62 173.59 2jwu s TYR 3 N 2.42 3.28 -0.05 4.92 2.02 0.35 -4.80 117.35 125.49 2jwu s TYR 3 Ca 0.21 0.14 0.03 0.00 -0.37 0.00 0.00 57.07 57.08 2jwu s TYR 3 Cb -0.15 -2.03 -0.03 0.00 -0.40 0.00 0.00 41.96 39.35 2jwu s TYR 3 CO 0.12 0.25 -0.12 0.21 -1.57 0.00 0.00 175.55 174.44 2jwu s LYS 4 N 0.08 2.58 -0.01 -0.62 2.20 -1.01 0.13 119.74 123.10 2jwu s LYS 4 Ca 0.05 -0.65 0.01 0.00 -0.36 0.00 0.00 55.97 55.02 2jwu s LYS 4 Cb -0.12 -2.45 0.01 0.00 -1.51 0.00 0.00 37.83 33.76 2jwu s LYS 4 CO 0.01 0.64 -0.01 -1.17 -0.36 0.00 0.00 175.35 174.45 2jwu s LEU 5 N -0.77 1.67 -0.10 5.43 2.96 -0.73 -0.17 118.68 126.96 2jwu s LEU 5 Ca 0.12 -0.04 0.00 0.00 -0.22 0.00 0.00 54.13 54.00 2jwu s LEU 5 Cb -0.11 -0.16 0.02 0.00 0.50 0.00 0.00 46.19 46.44 2jwu s LEU 5 CO 0.01 -0.02 -0.09 0.27 -1.32 0.00 0.00 176.35 175.20 2jwu s ILE 6 N 0.37 1.05 -0.10 6.68 -4.36 -0.98 -1.37 121.20 122.49 2jwu s ILE 6 Ca -0.03 -0.34 0.01 0.00 -0.26 0.00 0.00 60.65 60.03 2jwu s ILE 6 Cb -0.06 -1.03 -0.02 0.00 1.25 0.00 0.00 42.46 42.59 2jwu s ILE 6 CO -0.01 0.36 -0.12 -0.76 0.24 0.00 0.00 174.94 174.65 2jwu s LEU 7 N 1.41 2.80 -0.59 0.37 1.02 0.27 -2.34 118.68 121.61 2jwu s LEU 7 Ca -0.01 -0.24 0.06 0.00 0.02 0.00 0.00 54.13 53.96 2jwu s LEU 7 Cb -0.13 -1.61 0.27 0.00 0.02 0.00 0.00 46.19 44.73 2jwu s LEU 7 CO -0.05 0.24 0.76 0.59 0.02 0.00 0.00 176.35 177.91 2jwu n ASN 8 N 3.03 3.41 -4.81 2.29 3.02 -1.02 0.65 115.26 121.83 2jwu n ASN 8 Ca -0.18 -3.39 -0.33 0.00 -0.03 0.00 0.00 54.58 50.65 2jwu n ASN 8 Cb 0.53 -0.65 -0.02 0.00 -0.61 0.00 0.00 39.78 39.03 2jwu n ASN 8 CO 0.00 0.00 0.00 -1.48 -2.62 0.00 0.00 177.26 173.16 2jwu s LEU 9 N -2.50 3.66 0.29 3.41 2.34 -0.47 -2.40 118.68 123.01 2jwu s LEU 9 Ca 0.41 1.78 0.04 0.00 0.06 0.00 0.00 54.13 56.41 2jwu s LEU 9 Cb 0.18 -4.54 0.71 0.00 -0.56 0.00 0.00 46.19 41.98 2jwu s LEU 9 CO -0.04 -0.85 1.72 0.50 -1.06 0.00 0.00 176.35 176.62 2jwu h LYS 10 N 0.99 0.49 -0.74 1.48 3.64 -1.66 0.12 116.57 120.90 2jwu h LYS 10 Ca -0.48 -0.03 0.05 0.00 -1.27 0.00 0.00 60.65 58.92 2jwu h LYS 10 Cb 1.21 -0.11 -0.04 0.00 -0.41 0.00 0.00 32.23 32.87 2jwu h LYS 10 CO 0.59 0.32 0.49 0.37 -2.27 0.00 0.00 179.45 178.95 2jwu h GLN 11 N 0.51 0.81 0.00 1.90 4.15 -1.92 -3.47 115.11 117.09 2jwu h GLN 11 Ca 0.55 -0.05 0.00 0.00 0.77 0.00 0.00 58.65 59.92 2jwu h GLN 11 Cb 0.98 -0.18 0.00 0.00 0.21 0.00 0.00 27.48 28.49 2jwu h GLN 11 CO -0.47 0.53 0.00 0.00 -1.93 0.00 0.00 178.83 176.96 2jwu n ALA 12 N -2.44 0.00 -3.16 3.38 0.00 0.43 -5.14 120.51 113.59 2jwu n ALA 12 Ca 0.10 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.18 2jwu n ALA 12 Cb 0.18 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.50 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 3.44 0.06 0.00 1.02 -1.26 -1.36 119.74 119.64 2jwu s LYS 13 Ca 0.00 -0.61 0.09 0.00 0.02 0.00 0.00 55.97 55.47 2jwu s LYS 13 Cb 0.00 -3.30 -0.03 0.00 -0.52 0.00 0.00 37.83 33.98 2jwu s LYS 13 CO 0.00 -0.27 -0.25 -1.21 -0.92 0.00 0.00 175.35 172.70 2jwu s GLU 14 N 1.56 1.61 -0.06 1.68 0.41 0.21 -4.98 118.70 119.12 2jwu s GLU 14 Ca 0.05 -1.11 -0.11 0.00 -0.41 0.00 0.00 54.97 53.39 2jwu s GLU 14 Cb -0.16 -1.83 0.02 0.00 -1.78 0.00 0.00 34.13 30.39 2jwu s GLU 14 CO 0.02 0.46 0.26 -1.83 -0.49 0.00 0.00 175.26 173.69 2jwu s GLU 15 N -1.39 0.44 0.32 1.61 -1.05 -1.26 0.94 118.70 118.30 2jwu s GLU 15 Ca 0.11 0.12 -0.12 0.00 -0.15 0.00 0.00 54.97 54.92 2jwu s GLU 15 Cb -0.10 0.20 0.02 0.00 -0.44 0.00 0.00 34.13 33.81 2jwu s GLU 15 CO 0.03 -0.09 0.62 0.00 0.95 0.00 0.00 175.26 176.77 2jwu s ALA 16 N -0.47 -0.29 -0.06 -0.84 0.00 -0.47 -5.01 121.76 114.62 2jwu s ALA 16 Ca -0.06 -0.92 0.01 0.00 0.00 0.00 0.00 51.96 50.99 2jwu s ALA 16 Cb -0.04 0.93 0.02 0.00 0.00 0.00 0.00 23.12 24.04 2jwu s ALA 16 CO 0.02 -0.91 -0.04 -1.50 0.00 0.00 0.00 175.76 173.32 2jwu s ILE 17 N -3.19 0.58 -0.02 0.00 1.10 -1.26 -1.77 121.20 116.64 2jwu s ILE 17 Ca 0.20 -0.11 0.02 0.00 -0.51 0.00 0.00 60.65 60.26 2jwu s ILE 17 Cb -0.03 -0.63 0.00 0.00 0.15 0.00 0.00 42.46 41.96 2jwu s ILE 17 CO 0.12 0.25 -0.09 -0.54 -2.11 0.00 0.00 174.94 172.58 2jwu s LYS 18 N 1.17 0.88 0.30 3.50 1.02 0.36 -4.97 119.74 122.00 2jwu s LYS 18 Ca -0.07 -0.29 -0.09 0.00 0.02 0.00 0.00 55.97 55.54 2jwu s LYS 18 Cb -0.14 -0.83 -0.07 0.00 -0.52 0.00 0.00 37.83 36.27 2jwu s LYS 18 CO -0.01 0.12 0.62 -1.83 -0.92 0.00 0.00 175.35 173.33 2jwu s GLU 19 N 0.14 3.78 0.11 1.68 4.04 -1.26 0.13 118.70 127.32 2jwu s GLU 19 Ca -0.02 0.30 -0.02 0.00 0.04 0.00 0.00 54.97 55.27 2jwu s GLU 19 Cb -0.08 -2.56 0.01 0.00 0.02 0.00 0.00 34.13 31.52 2jwu s GLU 19 CO 0.00 0.19 0.17 1.28 -1.84 0.00 0.00 175.26 175.07 2jwu n LEU 20 N -0.64 0.00 -0.10 1.83 4.32 0.23 -4.81 117.00 117.84 2jwu n LEU 20 Ca 0.01 -0.85 -0.13 0.00 -0.02 0.00 0.00 56.01 55.02 2jwu n LEU 20 Cb 0.53 0.88 -0.14 0.00 -1.62 0.00 0.00 43.42 43.07 2jwu n LEU 20 CO 0.46 -0.22 -1.14 1.33 -1.22 0.00 0.00 177.39 176.60 2jwu n VAL 21 N -0.17 1.46 -3.97 4.08 0.24 -1.26 0.11 118.33 118.82 2jwu n VAL 21 Ca -0.01 -0.75 -0.12 0.00 -2.04 0.00 0.00 64.34 61.42 2jwu n VAL 21 Cb 0.18 -0.89 -0.01 0.00 -1.47 0.00 0.00 33.84 31.65 2jwu n VAL 21 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2jwu s ASP 22 N -5.96 0.50 -0.11 -1.34 2.15 -1.26 -4.69 116.67 105.97 2jwu s ASP 22 Ca -0.18 -1.32 -0.27 0.00 0.43 0.00 0.00 52.55 51.21 2jwu s ASP 22 Cb 0.07 0.74 -0.27 0.00 -0.30 0.00 0.00 42.92 43.17 2jwu s ASP 22 CO 0.75 -1.45 0.84 0.00 -0.17 0.00 0.00 175.17 175.14 2jwu h ALA 23 N 2.07 -0.01 -0.69 3.66 0.00 -1.97 -1.28 119.26 121.04 2jwu h ALA 23 Ca -0.30 -0.52 0.13 0.00 0.00 0.00 0.00 54.91 54.23 2jwu h ALA 23 Cb 1.24 0.02 -0.13 0.00 0.00 0.00 0.00 17.79 18.92 2jwu h ALA 23 CO 0.39 0.07 -0.21 0.00 0.00 0.00 0.00 179.25 179.50 2jwu h ALA 24 N 0.07 0.37 -0.42 0.00 0.00 -1.99 1.00 119.26 118.28 2jwu h ALA 24 Ca -0.03 0.26 -0.13 0.00 0.00 0.00 0.00 54.91 55.01 2jwu h ALA 24 Cb 1.10 0.59 -0.01 0.00 0.00 0.00 0.00 17.79 19.47 2jwu h ALA 24 CO 0.03 -0.47 -0.25 1.15 0.00 0.00 0.00 179.25 179.72 2jwu h THR 25 N -0.03 1.28 -0.35 0.00 2.02 -1.99 -2.78 112.91 111.05 2jwu h THR 25 Ca 0.32 -1.40 0.07 0.00 0.77 0.00 0.00 66.41 66.17 2jwu h THR 25 Cb 0.53 1.27 -0.07 0.00 -1.74 0.00 0.00 68.15 68.13 2jwu h THR 25 CO -0.72 0.47 -0.13 0.00 0.37 0.00 0.00 175.52 175.51 2jwu h ALA 26 N 0.82 0.16 -0.80 6.16 0.00 1.00 0.32 119.26 126.92 2jwu h ALA 26 Ca 0.09 0.13 0.16 0.00 0.00 0.00 0.00 54.91 55.29 2jwu h ALA 26 Cb 0.82 0.35 -0.05 0.00 0.00 0.00 0.00 17.79 18.90 2jwu h ALA 26 CO 0.07 -0.51 0.53 1.49 0.00 0.00 0.00 179.25 180.83 2jwu h GLU 27 N -0.07 0.40 -0.11 0.00 4.57 0.91 1.44 114.58 121.71 2jwu h GLU 27 Ca 0.17 -0.02 -0.02 0.00 -1.18 0.00 0.00 59.36 58.30 2jwu h GLU 27 Cb 0.33 -0.09 -0.00 0.00 -0.16 0.00 0.00 28.75 28.83 2jwu h GLU 27 CO -0.39 0.26 -0.02 0.87 -1.18 0.00 0.00 179.01 178.54 2jwu h LYS 28 N 0.41 0.22 0.18 1.92 1.57 -0.15 -1.53 116.57 119.18 2jwu h LYS 28 Ca 0.40 -0.08 -0.01 0.00 -1.87 0.00 0.00 60.65 59.09 2jwu h LYS 28 Cb 0.95 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.24 2jwu h LYS 28 CO -0.13 0.52 -0.09 -0.92 -0.57 0.00 0.00 179.45 178.26 2jwu h TYR 29 N -0.09 -0.22 -0.82 -1.35 5.03 0.38 -2.70 116.97 117.19 2jwu h TYR 29 Ca 0.03 -0.01 0.20 0.00 2.58 0.00 0.00 58.73 61.53 2jwu h TYR 29 Cb 0.43 0.07 -0.13 0.00 1.55 0.00 0.00 36.73 38.66 2jwu h TYR 29 CO 0.05 -0.14 0.23 0.74 -1.32 0.00 0.00 178.16 177.73 2jwu h PHE 30 N -0.77 0.37 -0.39 -3.82 0.04 0.18 0.91 116.94 113.46 2jwu h PHE 30 Ca -0.02 0.05 -0.06 0.00 2.80 0.00 0.00 57.97 60.73 2jwu h PHE 30 Cb 0.18 -0.03 -0.01 0.00 2.20 0.00 0.00 35.95 38.29 2jwu h PHE 30 CO 0.02 -0.13 -0.01 -0.22 -0.60 0.00 0.00 178.31 177.37 2jwu h LYS 31 N 0.27 0.69 0.00 1.51 1.63 -1.40 -2.16 116.57 117.11 2jwu h LYS 31 Ca 0.49 -0.23 -0.01 0.00 -0.85 0.00 0.00 60.65 60.05 2jwu h LYS 31 Cb 0.92 -0.06 -0.00 0.00 -0.60 0.00 0.00 32.23 32.49 2jwu h LYS 31 CO -0.57 0.79 -0.07 -0.07 -3.45 0.00 0.00 179.45 176.08 2jwu h LEU 32 N 0.51 0.00 0.07 5.20 4.07 -0.64 -0.90 115.31 123.62 2jwu h LEU 32 Ca 0.11 0.00 -0.00 0.00 0.08 0.00 0.00 57.88 58.06 2jwu h LEU 32 Cb 0.49 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.23 2jwu h LEU 32 CO 0.02 0.07 -0.03 0.22 -1.08 0.00 0.00 178.44 177.64 2jwu h TYR 33 N 0.00 -0.09 0.00 1.13 5.03 -0.47 -1.73 116.97 120.85 2jwu h TYR 33 Ca -0.00 -0.00 -0.04 0.00 2.58 0.00 0.00 58.73 61.26 2jwu h TYR 33 Cb 0.25 0.03 -0.01 0.00 1.55 0.00 0.00 36.73 38.55 2jwu h TYR 33 CO 0.00 0.46 -0.20 0.00 -1.32 0.00 0.00 178.16 177.09 2jwu h ALA 34 N -0.29 1.59 0.04 1.82 0.00 -1.24 0.59 119.26 121.77 2jwu h ALA 34 Ca -0.01 -0.19 -0.08 0.00 0.00 0.00 0.00 54.91 54.64 2jwu h ALA 34 Cb 0.58 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.35 2jwu h ALA 34 CO 0.02 0.25 -0.33 -0.91 0.00 0.00 0.00 179.25 178.28 2jwu h ASN 35 N 0.00 0.22 0.05 0.00 4.21 -1.25 -3.00 115.58 115.81 2jwu h ASN 35 Ca -0.00 -0.89 -0.00 0.00 1.21 0.00 0.00 56.30 56.62 2jwu h ASN 35 Cb 0.38 -0.07 0.00 0.00 -1.12 0.00 0.00 38.32 37.51 2jwu h ASN 35 CO 0.03 1.09 -0.02 0.00 -1.29 0.00 0.00 177.43 177.23 2jwu h ALA 36 N 0.14 -0.06 -0.06 -0.83 0.00 -1.19 -3.40 119.26 113.85 2jwu h ALA 36 Ca -0.05 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.56 2jwu h ALA 36 Cb 1.17 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.99 2jwu h ALA 36 CO 0.06 -0.10 0.00 1.63 0.00 0.00 0.00 179.25 180.84 2jwu n LYS 37 N -4.75 0.00 0.00 0.00 4.76 0.20 -4.89 118.16 113.48 2jwu n LYS 37 Ca -0.07 0.55 0.00 0.00 -2.87 0.00 0.00 58.31 55.92 2jwu n LYS 37 Cb 0.30 -1.49 0.00 0.00 -1.84 0.00 0.00 35.03 32.00 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 -2.08 0.00 -2.83 -0.18 -2.24 -1.13 -5.05 114.28 100.77 2jwu n THR 38 Ca 0.00 0.00 -0.20 0.00 -2.27 0.00 0.00 64.05 61.58 2jwu n THR 38 Cb 0.00 -0.54 0.06 0.00 -2.10 0.00 0.00 70.33 67.75 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 2.05 2.46 -0.13 2.28 -7.23 -1.22 -4.32 120.40 114.28 2jwu s VAL 39 Ca 0.00 -0.82 -0.06 0.00 -1.81 0.00 0.00 61.98 59.29 2jwu s VAL 39 Cb 0.00 -2.64 -0.04 0.00 0.56 0.00 0.00 36.38 34.26 2jwu s VAL 39 CO 0.00 0.00 0.09 -1.83 -0.31 0.00 0.00 175.10 173.05 2jwu s GLU 40 N -4.73 3.51 0.00 4.82 -1.05 -1.26 -4.60 118.70 115.39 2jwu s GLU 40 Ca 0.60 -0.25 0.00 0.00 -0.15 0.00 0.00 54.97 55.17 2jwu s GLU 40 Cb -0.08 -3.12 0.00 0.00 -0.44 0.00 0.00 34.13 30.49 2jwu s GLU 40 CO 0.39 0.61 0.00 0.41 0.95 0.00 0.00 175.26 177.62 2jwu n GLY 41 N 2.48 4.30 3.69 -3.83 0.00 -1.26 -4.81 105.19 105.77 2jwu n GLY 41 Ca -0.19 -0.59 -0.31 0.00 0.00 0.00 0.00 46.02 44.93 2jwu n GLY 41 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jwu s VAL 42 N 0.21 2.18 -0.02 1.61 0.11 0.51 -4.74 120.40 120.27 2jwu s VAL 42 Ca 0.00 0.06 0.02 0.00 -2.93 0.00 0.00 61.98 59.14 2jwu s VAL 42 Cb 0.00 -2.20 0.00 0.00 -1.53 0.00 0.00 36.38 32.65 2jwu s VAL 42 CO 0.00 -0.07 -0.09 0.26 -3.33 0.00 0.00 175.10 171.87 2jwu s TRP 43 N -2.57 0.88 0.03 1.54 0.52 -1.26 -2.41 118.94 115.67 2jwu s TRP 43 Ca 0.68 -0.20 -0.07 0.00 0.02 0.00 0.00 56.10 56.52 2jwu s TRP 43 Cb -0.23 -0.62 -0.00 0.00 -1.15 0.00 0.00 33.47 31.46 2jwu s TRP 43 CO 0.56 -0.07 0.13 0.99 0.02 0.00 0.00 176.95 178.58 2jwu s THR 44 N 0.09 0.11 0.06 2.01 2.01 0.32 -4.96 115.64 115.27 2jwu s THR 44 Ca -0.01 -0.93 0.05 0.00 0.31 0.00 0.00 61.69 61.11 2jwu s THR 44 Cb -0.07 -0.78 -0.03 0.00 0.01 0.00 0.00 72.50 71.64 2jwu s THR 44 CO 0.00 -0.51 -0.15 -0.47 -0.69 0.00 0.00 174.62 172.80 2jwu s TYR 45 N -2.27 1.29 -0.16 4.92 5.04 -1.26 0.11 117.35 125.00 2jwu s TYR 45 Ca -0.08 -0.41 0.00 0.00 -2.44 0.00 0.00 57.07 54.15 2jwu s TYR 45 Cb -0.03 -0.74 0.00 0.00 0.35 0.00 0.00 41.96 41.54 2jwu s TYR 45 CO -0.03 0.06 -0.16 0.15 -1.34 0.00 0.00 175.55 174.23 2jwu s LYS 46 N -1.48 3.16 -0.26 4.97 3.01 0.24 -4.97 119.74 124.42 2jwu s LYS 46 Ca 0.01 -0.77 0.06 0.00 -1.01 0.00 0.00 55.97 54.25 2jwu s LYS 46 Cb -0.09 -2.62 0.52 0.00 -1.01 0.00 0.00 37.83 34.62 2jwu s LYS 46 CO 0.02 -0.06 1.54 -0.25 0.51 0.00 0.00 175.35 177.11 2jwu n ASP 47 N 4.25 3.87 -0.04 2.83 9.92 -1.26 -2.40 116.55 133.72 2jwu n ASP 47 Ca -0.19 -2.94 -0.13 0.00 -0.53 0.00 0.00 54.79 50.99 2jwu n ASP 47 Cb 0.51 -0.70 -0.14 0.00 -0.64 0.00 0.00 41.12 40.15 2jwu n ASP 47 CO 0.00 0.00 0.00 1.21 0.13 0.00 0.00 177.20 178.54 2jwu n GLU 48 N -0.21 0.68 -1.21 -1.24 2.13 -1.26 -4.74 120.64 114.79 2jwu n GLU 48 Ca 0.33 0.23 -0.04 0.00 0.66 0.00 0.00 57.16 58.33 2jwu n GLU 48 Cb 1.17 -1.70 -0.02 0.00 0.27 0.00 0.00 31.44 31.15 2jwu n GLU 48 CO 0.00 0.00 0.00 2.41 -0.41 0.00 0.00 177.13 179.13 2jwu n THR 49 N -3.14 0.00 -2.76 6.31 -1.04 -1.26 -5.06 114.28 107.33 2jwu n THR 49 Ca -0.26 -0.17 -0.05 0.00 -2.04 0.00 0.00 64.05 61.53 2jwu n THR 49 Cb 1.06 0.49 0.01 0.00 -1.82 0.00 0.00 70.33 70.06 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 -0.26 -2.76 -3.75 -2.82 5.02 -1.15 -4.69 118.16 107.75 2jwu n LYS 50 Ca -0.19 2.35 -0.14 0.00 -2.02 0.00 0.00 58.31 58.30 2jwu n LYS 50 Cb 0.63 -5.44 -0.15 0.00 -0.02 0.00 0.00 35.03 30.05 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 -2.17 -0.06 0.21 -0.18 2.01 -1.01 -2.40 115.64 112.04 2jwu s THR 51 Ca 0.15 0.20 -0.01 0.00 0.31 0.00 0.00 61.69 62.33 2jwu s THR 51 Cb -0.04 -0.20 -0.04 0.00 0.01 0.00 0.00 72.50 72.23 2jwu s THR 51 CO 0.75 0.08 0.41 -0.36 -0.69 0.00 0.00 174.62 174.82 2jwu s PHE 52 N 1.21 3.48 -0.20 4.92 0.40 0.75 0.83 117.98 129.37 2jwu s PHE 52 Ca -0.08 0.39 -0.04 0.00 -0.60 0.00 0.00 56.93 56.60 2jwu s PHE 52 Cb -0.12 -1.89 0.09 0.00 0.51 0.00 0.00 43.02 41.60 2jwu s PHE 52 CO -0.05 0.35 0.19 0.99 0.70 0.00 0.00 175.22 177.40 2jwu s THR 53 N -1.89 -0.26 -0.05 0.64 2.01 0.29 -2.32 115.64 114.07 2jwu s THR 53 Ca 0.39 -0.18 0.03 0.00 0.31 0.00 0.00 61.69 62.25 2jwu s THR 53 Cb -0.11 -0.68 0.00 0.00 0.01 0.00 0.00 72.50 71.72 2jwu s THR 53 CO 0.29 -0.27 -0.14 0.54 -0.69 0.00 0.00 174.62 174.35 2jwu s VAL 54 N 2.27 1.23 0.04 3.82 0.11 -0.99 0.12 120.40 127.00 2jwu s VAL 54 Ca 0.06 -0.59 -0.00 0.00 -2.93 0.00 0.00 61.98 58.52 2jwu s VAL 54 Cb -0.16 -1.08 -0.03 0.00 -1.53 0.00 0.00 36.38 33.58 2jwu s VAL 54 CO -0.14 0.37 -0.04 0.28 -3.33 0.00 0.00 175.10 172.24 2jwu s THR 55 N 0.24 0.22 0.00 5.04 -1.32 -1.01 -2.43 115.64 116.38 2jwu s THR 55 Ca -0.07 -1.40 0.00 0.00 -1.21 0.00 0.00 61.69 59.01 2jwu s THR 55 Cb -0.12 -0.95 0.00 0.00 -1.51 0.00 0.00 72.50 69.91 2jwu s THR 55 CO 0.02 -0.75 0.39 1.21 -2.21 0.00 0.00 174.62 173.29