#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 3.72 -0.13 4.28 -1.32 -1.26 -1.21 115.64 119.72 2jwu s THR 2 Ca 0.00 0.97 -0.06 0.00 -1.21 0.00 0.00 61.69 61.39 2jwu s THR 2 Cb 0.00 -3.62 -0.04 0.00 -1.51 0.00 0.00 72.50 67.33 2jwu s THR 2 CO 0.00 -0.06 0.07 -0.31 -2.21 0.00 0.00 174.62 172.11 2jwu s TYR 3 N 3.37 3.34 -0.02 9.09 2.02 0.36 -4.81 117.35 130.69 2jwu s TYR 3 Ca 0.67 0.27 0.07 0.00 -0.37 0.00 0.00 57.07 57.71 2jwu s TYR 3 Cb -0.31 -1.94 -0.02 0.00 -0.40 0.00 0.00 41.96 39.29 2jwu s TYR 3 CO 0.26 0.45 -0.23 0.15 -1.57 0.00 0.00 175.55 174.61 2jwu s LYS 4 N -0.49 2.17 -0.00 -0.62 1.02 -1.00 0.13 119.74 120.95 2jwu s LYS 4 Ca 0.10 -0.89 0.01 0.00 0.02 0.00 0.00 55.97 55.21 2jwu s LYS 4 Cb -0.12 -2.13 -0.00 0.00 -0.52 0.00 0.00 37.83 35.06 2jwu s LYS 4 CO 0.02 0.57 -0.03 -1.17 -0.92 0.00 0.00 175.35 173.82 2jwu s LEU 5 N -0.76 2.02 -0.08 3.17 2.96 -0.73 0.93 118.68 126.19 2jwu s LEU 5 Ca 0.11 -0.07 -0.01 0.00 -0.22 0.00 0.00 54.13 53.93 2jwu s LEU 5 Cb -0.10 -0.13 0.03 0.00 0.50 0.00 0.00 46.19 46.49 2jwu s LEU 5 CO 0.00 0.01 -0.01 0.27 -1.32 0.00 0.00 176.35 175.31 2jwu s ILE 6 N -0.14 0.47 -0.12 6.68 -4.36 -0.92 -1.69 121.20 121.12 2jwu s ILE 6 Ca 0.00 0.06 -0.02 0.00 -0.26 0.00 0.00 60.65 60.44 2jwu s ILE 6 Cb -0.02 -0.60 -0.03 0.00 1.25 0.00 0.00 42.46 43.06 2jwu s ILE 6 CO -0.00 0.27 -0.06 -0.76 0.24 0.00 0.00 174.94 174.64 2jwu s LEU 7 N 1.91 3.19 -0.53 0.37 1.02 0.87 -2.38 118.68 123.13 2jwu s LEU 7 Ca 0.05 -0.10 -0.04 0.00 0.02 0.00 0.00 54.13 54.06 2jwu s LEU 7 Cb -0.12 -1.74 0.14 0.00 0.02 0.00 0.00 46.19 44.49 2jwu s LEU 7 CO -0.06 0.25 0.35 0.20 0.02 0.00 0.00 176.35 177.11 2jwu s ASN 8 N -0.11 5.34 1.19 2.29 0.01 -0.96 -1.01 114.94 121.68 2jwu s ASN 8 Ca 0.02 -2.43 -0.19 0.00 -0.71 0.00 0.00 52.86 49.54 2jwu s ASN 8 Cb -0.13 -1.87 0.28 0.00 0.41 0.00 0.00 41.25 39.94 2jwu s ASN 8 CO 0.03 -0.48 1.13 -0.76 -1.51 0.00 0.00 177.10 175.51 2jwu s LEU 9 N 0.56 0.83 0.35 0.60 1.43 0.87 -2.30 118.68 121.02 2jwu s LEU 9 Ca 0.12 0.58 0.21 0.00 -1.03 0.00 0.00 54.13 54.01 2jwu s LEU 9 Cb -0.22 -2.31 0.20 0.00 0.03 0.00 0.00 46.19 43.89 2jwu s LEU 9 CO -0.04 -4.05 1.45 0.50 0.23 0.00 0.00 176.35 174.44 2jwu h LYS 10 N -2.53 0.00 0.00 1.70 3.64 -1.98 -3.34 116.57 114.05 2jwu h LYS 10 Ca -0.44 0.00 -0.08 0.00 -1.27 0.00 0.00 60.65 58.86 2jwu h LYS 10 Cb 1.29 0.00 -0.18 0.00 -0.41 0.00 0.00 32.23 32.93 2jwu h LYS 10 CO 0.33 0.14 -0.69 0.00 -2.27 0.00 0.00 179.45 176.96 2jwu n GLN 11 N -3.06 0.50 0.00 1.90 -0.00 -1.26 -5.09 117.38 110.37 2jwu n GLN 11 Ca 0.02 -2.14 0.00 0.00 -0.00 0.00 0.00 57.00 54.88 2jwu n GLN 11 Cb 0.60 -0.64 0.00 0.00 -0.00 0.00 0.00 30.24 30.20 2jwu n GLN 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2jwu n ALA 12 N -0.18 0.00 -3.84 2.61 0.00 -1.25 -5.14 120.51 112.70 2jwu n ALA 12 Ca 0.09 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.24 2jwu n ALA 12 Cb 0.89 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 20.18 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 1.17 -0.08 0.00 1.02 -1.26 -0.09 119.74 118.49 2jwu s LYS 13 Ca 0.00 -0.70 -0.01 0.00 0.02 0.00 0.00 55.97 55.28 2jwu s LYS 13 Cb 0.00 -2.33 -0.03 0.00 -0.52 0.00 0.00 37.83 34.94 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 1.62 2.94 -0.10 1.68 0.41 -0.18 -4.99 118.70 120.08 2jwu s GLU 14 Ca -0.03 -0.43 -0.10 0.00 -0.41 0.00 0.00 54.97 54.00 2jwu s GLU 14 Cb -0.18 -2.76 0.03 0.00 -1.78 0.00 0.00 34.13 29.44 2jwu s GLU 14 CO -0.07 0.70 0.28 -1.83 -0.49 0.00 0.00 175.26 173.85 2jwu s GLU 15 N -0.89 0.34 0.29 1.61 4.04 -1.26 -0.09 118.70 122.73 2jwu s GLU 15 Ca 0.13 0.37 -0.14 0.00 0.04 0.00 0.00 54.97 55.37 2jwu s GLU 15 Cb -0.11 0.16 0.01 0.00 0.02 0.00 0.00 34.13 34.21 2jwu s GLU 15 CO 0.02 -0.04 0.59 0.00 -1.84 0.00 0.00 175.26 173.99 2jwu s ALA 16 N 0.11 -0.48 -0.06 -0.84 0.00 -0.68 -5.03 121.76 114.77 2jwu s ALA 16 Ca -0.00 -0.77 0.02 0.00 0.00 0.00 0.00 51.96 51.21 2jwu s ALA 16 Cb -0.02 0.96 0.02 0.00 0.00 0.00 0.00 23.12 24.08 2jwu s ALA 16 CO 0.00 -0.92 -0.10 0.42 0.00 0.00 0.00 175.76 175.16 2jwu s ILE 17 N -3.66 0.98 -0.05 0.00 -1.09 -1.26 -1.78 121.20 114.35 2jwu s ILE 17 Ca 0.19 -0.38 0.04 0.00 -2.23 0.00 0.00 60.65 58.27 2jwu s ILE 17 Cb -0.03 -0.92 0.00 0.00 -1.58 0.00 0.00 42.46 39.93 2jwu s ILE 17 CO 0.10 0.32 -0.16 -0.54 -1.23 0.00 0.00 174.94 173.43 2jwu s LYS 18 N 0.78 1.77 -0.01 2.79 -0.14 0.35 -4.97 119.74 120.31 2jwu s LYS 18 Ca -0.13 -0.57 -0.22 0.00 -1.36 0.00 0.00 55.97 53.70 2jwu s LYS 18 Cb -0.15 -1.51 -0.05 0.00 -1.68 0.00 0.00 37.83 34.43 2jwu s LYS 18 CO 0.02 0.20 0.65 -1.21 -0.76 0.00 0.00 175.35 174.25 2jwu s GLU 19 N 0.17 4.39 0.10 1.68 2.02 -1.26 0.13 118.70 125.93 2jwu s GLU 19 Ca -0.06 0.84 0.01 0.00 0.02 0.00 0.00 54.97 55.78 2jwu s GLU 19 Cb -0.12 -3.37 -0.01 0.00 0.10 0.00 0.00 34.13 30.73 2jwu s GLU 19 CO 0.03 0.28 0.10 1.28 0.02 0.00 0.00 175.26 176.97 2jwu n LEU 20 N 2.98 0.00 -0.10 1.80 4.77 -0.35 -4.85 117.00 121.25 2jwu n LEU 20 Ca -0.05 -0.91 -0.19 0.00 -0.03 0.00 0.00 56.01 54.83 2jwu n LEU 20 Cb 0.51 0.57 -0.08 0.00 -2.33 0.00 0.00 43.42 42.09 2jwu n LEU 20 CO 0.45 -0.17 -1.19 1.33 -1.33 0.00 0.00 177.39 176.49 2jwu n VAL 21 N -0.18 1.13 -4.31 4.08 0.24 -1.26 -1.18 118.33 116.84 2jwu n VAL 21 Ca 0.02 -0.33 -0.16 0.00 -2.04 0.00 0.00 64.34 61.82 2jwu n VAL 21 Cb 0.18 -1.59 -0.10 0.00 -1.47 0.00 0.00 33.84 30.85 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 -6.55 1.18 0.03 -1.34 2.15 -1.26 -4.63 116.67 106.25 2jwu s ASP 22 Ca -0.28 -1.37 -0.19 0.00 0.43 0.00 0.00 52.55 51.14 2jwu s ASP 22 Cb 0.10 0.16 -0.19 0.00 -0.30 0.00 0.00 42.92 42.69 2jwu s ASP 22 CO 0.39 -0.72 1.20 0.00 -0.17 0.00 0.00 175.17 175.87 2jwu h ALA 23 N 2.40 0.17 -0.61 3.66 0.00 -1.97 0.03 119.26 122.95 2jwu h ALA 23 Ca -0.38 -0.49 0.12 0.00 0.00 0.00 0.00 54.91 54.16 2jwu h ALA 23 Cb 1.24 -0.01 -0.12 0.00 0.00 0.00 0.00 17.79 18.91 2jwu h ALA 23 CO 0.61 0.32 -0.17 0.00 0.00 0.00 0.00 179.25 180.01 2jwu h ALA 24 N 0.45 0.37 -0.30 0.00 0.00 -1.99 1.04 119.26 118.83 2jwu h ALA 24 Ca -0.03 0.23 -0.15 0.00 0.00 0.00 0.00 54.91 54.96 2jwu h ALA 24 Cb 1.11 0.49 -0.00 0.00 0.00 0.00 0.00 17.79 19.38 2jwu h ALA 24 CO 0.09 -0.45 -0.40 1.15 0.00 0.00 0.00 179.25 179.65 2jwu h THR 25 N -0.02 1.29 -0.22 0.00 2.02 -1.99 -2.80 112.91 111.20 2jwu h THR 25 Ca 0.29 -1.58 0.06 0.00 0.77 0.00 0.00 66.41 65.95 2jwu h THR 25 Cb 0.46 1.59 -0.07 0.00 -1.74 0.00 0.00 68.15 68.39 2jwu h THR 25 CO -0.63 0.51 -0.26 0.00 0.37 0.00 0.00 175.52 175.51 2jwu h ALA 26 N 0.70 -0.17 -0.93 6.16 0.00 0.13 0.37 119.26 125.51 2jwu h ALA 26 Ca 0.04 0.07 0.22 0.00 0.00 0.00 0.00 54.91 55.23 2jwu h ALA 26 Cb 0.99 0.52 -0.07 0.00 0.00 0.00 0.00 17.79 19.23 2jwu h ALA 26 CO 0.09 -0.69 0.62 0.93 0.00 0.00 0.00 179.25 180.20 2jwu h GLU 27 N -0.28 0.38 0.15 0.00 5.08 0.10 1.41 114.58 121.43 2jwu h GLU 27 Ca 0.13 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.46 2jwu h GLU 27 Cb 0.47 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.64 2jwu h GLU 27 CO -0.38 0.25 -0.07 -0.22 -1.00 0.00 0.00 179.01 177.59 2jwu h LYS 28 N 0.40 -0.20 0.49 2.33 1.63 -0.09 -0.76 116.57 120.37 2jwu h LYS 28 Ca 0.49 0.01 -0.02 0.00 -0.85 0.00 0.00 60.65 60.28 2jwu h LYS 28 Cb 1.25 0.04 0.00 0.00 -0.60 0.00 0.00 32.23 32.93 2jwu h LYS 28 CO -0.19 0.15 -0.24 -0.92 -3.45 0.00 0.00 179.45 174.80 2jwu h TYR 29 N -0.56 -0.61 -0.67 1.91 5.03 0.67 -2.72 116.97 120.02 2jwu h TYR 29 Ca -0.02 -0.01 0.14 0.00 2.58 0.00 0.00 58.73 61.42 2jwu h TYR 29 Cb 0.43 0.20 -0.11 0.00 1.55 0.00 0.00 36.73 38.80 2jwu h TYR 29 CO 0.04 -0.38 0.01 0.74 -1.32 0.00 0.00 178.16 177.25 2jwu h PHE 30 N -1.06 -0.02 -0.48 -3.82 0.04 0.17 0.31 116.94 112.07 2jwu h PHE 30 Ca -0.07 0.05 0.01 0.00 2.80 0.00 0.00 57.97 60.76 2jwu h PHE 30 Cb 0.51 0.11 -0.02 0.00 2.20 0.00 0.00 35.95 38.75 2jwu h PHE 30 CO 0.01 -0.18 0.32 -0.22 -0.60 0.00 0.00 178.31 177.64 2jwu h LYS 31 N 0.12 0.63 0.00 1.51 3.64 -1.22 0.45 116.57 121.71 2jwu h LYS 31 Ca 0.36 -0.04 -0.05 0.00 -1.27 0.00 0.00 60.65 59.64 2jwu h LYS 31 Cb 0.59 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 32.26 2jwu h LYS 31 CO -0.57 0.42 -0.26 -0.07 -2.27 0.00 0.00 179.45 176.70 2jwu h LEU 32 N 0.65 0.00 0.04 5.20 4.07 -0.11 -2.24 115.31 122.92 2jwu h LEU 32 Ca 0.18 0.00 -0.00 0.00 0.08 0.00 0.00 57.88 58.14 2jwu h LEU 32 Cb -0.07 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.67 2jwu h LEU 32 CO -0.04 0.26 -0.02 0.22 -1.08 0.00 0.00 178.44 177.78 2jwu h TYR 33 N 0.00 -0.05 -0.00 1.13 5.03 0.32 -2.21 116.97 121.18 2jwu h TYR 33 Ca -0.00 -0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.31 2jwu h TYR 33 Cb 0.67 0.02 -0.00 0.00 1.55 0.00 0.00 36.73 38.97 2jwu h TYR 33 CO 0.00 0.40 0.01 0.00 -1.32 0.00 0.00 178.16 177.25 2jwu h ALA 34 N -0.50 1.15 0.00 1.82 0.00 -1.23 0.39 119.26 120.89 2jwu h ALA 34 Ca -0.01 -0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.82 2jwu h ALA 34 Cb 0.48 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 2jwu h ALA 34 CO 0.01 -0.01 -0.59 -0.97 0.00 0.00 0.00 179.25 177.69 2jwu h ASN 35 N 0.00 0.00 -0.29 0.00 -1.24 -1.47 -3.01 115.58 109.57 2jwu h ASN 35 Ca 0.00 -0.45 -0.12 0.00 0.71 0.00 0.00 56.30 56.44 2jwu h ASN 35 Cb 0.01 0.00 -0.00 0.00 0.73 0.00 0.00 38.32 39.06 2jwu h ASN 35 CO -0.00 1.06 -0.29 0.00 -1.29 0.00 0.00 177.43 176.92 2jwu h ALA 36 N -0.55 0.42 0.08 1.57 0.00 -1.18 -3.37 119.26 116.23 2jwu h ALA 36 Ca -0.13 -0.40 -0.00 0.00 0.00 0.00 0.00 54.91 54.37 2jwu h ALA 36 Cb 0.86 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.56 2jwu h ALA 36 CO -0.08 0.43 -0.04 0.87 0.00 0.00 0.00 179.25 180.44 2jwu h LYS 37 N 0.44 -0.10 0.00 0.00 1.79 -0.42 -3.49 116.57 114.80 2jwu h LYS 37 Ca 0.05 0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.52 2jwu h LYS 37 Cb 0.86 0.02 0.00 0.00 -1.58 0.00 0.00 32.23 31.53 2jwu h LYS 37 CO 0.07 -0.07 0.00 0.25 -1.08 0.00 0.00 179.45 178.63 2jwu n THR 38 N -2.52 0.00 -3.19 -0.16 -2.24 -1.15 -5.06 114.28 99.96 2jwu n THR 38 Ca -0.01 0.00 -0.20 0.00 -2.27 0.00 0.00 64.05 61.57 2jwu n THR 38 Cb 0.04 -0.01 0.03 0.00 -2.10 0.00 0.00 70.33 68.30 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 1.48 2.33 -0.06 2.28 -7.23 -1.17 -3.90 120.40 114.13 2jwu s VAL 39 Ca 0.00 -1.10 0.03 0.00 -1.81 0.00 0.00 61.98 59.10 2jwu s VAL 39 Cb 0.00 -2.43 0.01 0.00 0.56 0.00 0.00 36.38 34.52 2jwu s VAL 39 CO 0.00 0.00 -0.13 -1.61 -0.31 0.00 0.00 175.10 173.05 2jwu s GLU 40 N -4.49 1.72 0.00 4.82 2.02 -1.26 -4.72 118.70 116.79 2jwu s GLU 40 Ca 0.55 -0.45 0.00 0.00 0.02 0.00 0.00 54.97 55.09 2jwu s GLU 40 Cb -0.06 -1.43 0.00 0.00 0.10 0.00 0.00 34.13 32.74 2jwu s GLU 40 CO 0.34 0.07 0.00 0.41 0.02 0.00 0.00 175.26 176.10 2jwu n GLY 41 N 3.67 1.84 3.48 -1.39 0.00 0.09 -4.90 105.19 107.98 2jwu n GLY 41 Ca -0.22 -0.26 -0.43 0.00 0.00 0.00 0.00 46.02 45.11 2jwu n GLY 41 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2jwu s VAL 42 N 1.02 4.67 0.31 1.61 1.01 -0.26 -4.83 120.40 123.92 2jwu s VAL 42 Ca 0.00 -0.14 -0.25 0.00 0.00 0.00 0.00 61.98 61.59 2jwu s VAL 42 Cb 0.00 -4.39 -0.10 0.00 0.00 0.00 0.00 36.38 31.89 2jwu s VAL 42 CO 0.00 -0.92 0.90 0.26 0.00 0.00 0.00 175.10 175.34 2jwu s TRP 43 N 3.18 3.67 -0.27 5.22 0.52 -1.26 -2.29 118.94 127.71 2jwu s TRP 43 Ca 0.22 1.70 -0.05 0.00 0.02 0.00 0.00 56.10 57.99 2jwu s TRP 43 Cb -0.16 -2.86 0.14 0.00 -1.15 0.00 0.00 33.47 29.44 2jwu s TRP 43 CO 0.15 0.22 0.53 0.95 0.02 0.00 0.00 176.95 178.82 2jwu s THR 44 N -1.62 -0.84 0.32 2.01 -4.23 0.40 -4.94 115.64 106.73 2jwu s THR 44 Ca 0.49 0.02 -0.08 0.00 -1.18 0.00 0.00 61.69 60.95 2jwu s THR 44 Cb -0.18 -0.89 -0.06 0.00 1.34 0.00 0.00 72.50 72.72 2jwu s THR 44 CO 0.23 -0.01 0.63 -0.47 -0.54 0.00 0.00 174.62 174.46 2jwu s TYR 45 N 2.75 3.47 -0.11 3.99 5.04 -1.26 0.55 117.35 131.78 2jwu s TYR 45 Ca 0.07 0.82 0.02 0.00 -2.44 0.00 0.00 57.07 55.54 2jwu s TYR 45 Cb -0.14 -2.25 0.01 0.00 0.35 0.00 0.00 41.96 39.94 2jwu s TYR 45 CO -0.18 0.08 -0.15 0.15 -1.34 0.00 0.00 175.55 174.12 2jwu s LYS 46 N -3.57 2.20 -0.24 4.97 -0.14 0.13 -4.92 119.74 118.18 2jwu s LYS 46 Ca 0.47 -0.55 0.07 0.00 -1.36 0.00 0.00 55.97 54.59 2jwu s LYS 46 Cb -0.11 -1.87 0.54 0.00 -1.68 0.00 0.00 37.83 34.71 2jwu s LYS 46 CO 0.29 -0.06 1.51 -0.25 -0.76 0.00 0.00 175.35 176.08 2jwu n ASP 47 N 4.19 4.01 0.05 2.83 9.92 -1.26 -2.39 116.55 133.90 2jwu n ASP 47 Ca -0.19 -2.88 -0.05 0.00 -0.53 0.00 0.00 54.79 51.14 2jwu n ASP 47 Cb 0.51 -0.68 -0.10 0.00 -0.64 0.00 0.00 41.12 40.22 2jwu n ASP 47 CO 0.00 0.00 0.00 -0.08 0.13 0.00 0.00 177.20 177.25 2jwu h GLU 48 N 1.91 0.00 0.00 -1.24 4.57 -1.95 -3.43 114.58 114.44 2jwu h GLU 48 Ca 0.20 0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 58.36 2jwu h GLU 48 Cb 1.90 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 30.47 2jwu h GLU 48 CO 0.54 0.72 -0.04 -2.37 -1.18 0.00 0.00 179.01 176.69 2jwu n THR 49 N -3.21 0.00 -2.86 0.32 5.66 -1.26 -5.05 114.28 107.88 2jwu n THR 49 Ca -0.05 -0.11 -0.06 0.00 -3.05 0.00 0.00 64.05 60.78 2jwu n THR 49 Cb 0.92 0.47 0.01 0.00 -1.55 0.00 0.00 70.33 70.18 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 -0.17 -2.12 -3.74 1.09 4.01 -1.21 -4.76 118.16 111.26 2jwu n LYS 50 Ca -0.03 1.97 -0.15 0.00 -0.51 0.00 0.00 58.31 59.59 2jwu n LYS 50 Cb 0.51 -5.61 -0.16 0.00 -0.51 0.00 0.00 35.03 29.26 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 -2.66 -0.08 0.15 -0.18 2.01 -1.01 -2.38 115.64 111.49 2jwu s THR 51 Ca 0.19 0.25 -0.05 0.00 0.31 0.00 0.00 61.69 62.39 2jwu s THR 51 Cb -0.05 -0.17 -0.06 0.00 0.01 0.00 0.00 72.50 72.23 2jwu s THR 51 CO 0.75 0.10 0.40 -0.36 -0.69 0.00 0.00 174.62 174.82 2jwu s PHE 52 N 1.39 3.47 -0.15 4.92 0.40 0.26 0.21 117.98 128.48 2jwu s PHE 52 Ca -0.06 0.59 -0.04 0.00 -0.60 0.00 0.00 56.93 56.83 2jwu s PHE 52 Cb -0.12 -2.03 0.07 0.00 0.51 0.00 0.00 43.02 41.44 2jwu s PHE 52 CO -0.04 0.41 0.18 0.99 0.70 0.00 0.00 175.22 177.46 2jwu s THR 53 N -1.68 -0.27 0.07 0.64 2.01 0.19 -2.17 115.64 114.44 2jwu s THR 53 Ca 0.42 0.07 0.04 0.00 0.31 0.00 0.00 61.69 62.53 2jwu s THR 53 Cb -0.12 -0.50 -0.03 0.00 0.01 0.00 0.00 72.50 71.86 2jwu s THR 53 CO 0.24 -0.07 -0.11 0.54 -0.69 0.00 0.00 174.62 174.53 2jwu s VAL 54 N 2.29 0.89 0.28 3.82 0.11 -1.00 0.15 120.40 126.94 2jwu s VAL 54 Ca 0.04 -1.32 0.03 0.00 -2.93 0.00 0.00 61.98 57.80 2jwu s VAL 54 Cb -0.14 -1.00 -0.03 0.00 -1.53 0.00 0.00 36.38 33.68 2jwu s VAL 54 CO -0.09 -0.36 0.24 0.42 -3.33 0.00 0.00 175.10 171.99 2jwu s THR 55 N -1.61 0.00 -1.42 5.04 -4.23 -0.97 -2.27 115.64 110.18 2jwu s THR 55 Ca -0.03 -1.95 0.11 0.00 -1.18 0.00 0.00 61.69 58.65 2jwu s THR 55 Cb -0.08 -2.50 0.09 0.00 1.34 0.00 0.00 72.50 71.35 2jwu s THR 55 CO 0.01 0.00 0.86 1.21 -0.54 0.00 0.00 174.62 176.16