#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 3.58 -0.14 12.58 -1.32 -1.26 -1.20 115.64 127.88 2jwu s THR 2 Ca 0.00 0.98 -0.07 0.00 -1.21 0.00 0.00 61.69 61.38 2jwu s THR 2 Cb 0.00 -3.63 -0.04 0.00 -1.51 0.00 0.00 72.50 67.32 2jwu s THR 2 CO 0.00 -0.00 0.12 -0.31 -2.21 0.00 0.00 174.62 172.22 2jwu s TYR 3 N 2.46 3.51 -0.12 9.09 2.02 0.29 -4.83 117.35 129.77 2jwu s TYR 3 Ca 0.66 0.44 0.01 0.00 -0.37 0.00 0.00 57.07 57.80 2jwu s TYR 3 Cb -0.33 -1.98 -0.02 0.00 -0.40 0.00 0.00 41.96 39.23 2jwu s TYR 3 CO 0.27 0.60 -0.14 0.15 -1.57 0.00 0.00 175.55 174.86 2jwu s LYS 4 N -0.66 3.25 -0.02 -0.62 1.02 -0.99 -0.04 119.74 121.68 2jwu s LYS 4 Ca 0.13 -0.69 0.04 0.00 0.02 0.00 0.00 55.97 55.47 2jwu s LYS 4 Cb -0.12 -2.58 -0.01 0.00 -0.52 0.00 0.00 37.83 34.60 2jwu s LYS 4 CO 0.02 0.27 -0.15 -1.17 -0.92 0.00 0.00 175.35 173.41 2jwu s LEU 5 N 0.19 1.96 -0.10 3.17 2.96 -0.87 0.11 118.68 126.11 2jwu s LEU 5 Ca -0.08 -0.28 -0.02 0.00 -0.22 0.00 0.00 54.13 53.54 2jwu s LEU 5 Cb -0.15 -0.79 0.03 0.00 0.50 0.00 0.00 46.19 45.78 2jwu s LEU 5 CO 0.05 0.16 -0.00 0.27 -1.32 0.00 0.00 176.35 175.51 2jwu s ILE 6 N -0.17 0.47 -0.12 6.68 -4.36 -0.77 -1.96 121.20 120.96 2jwu s ILE 6 Ca 0.02 -0.05 -0.02 0.00 -0.26 0.00 0.00 60.65 60.33 2jwu s ILE 6 Cb -0.08 -0.68 -0.03 0.00 1.25 0.00 0.00 42.46 42.92 2jwu s ILE 6 CO 0.00 0.18 -0.03 -0.76 0.24 0.00 0.00 174.94 174.57 2jwu s LEU 7 N 1.92 3.31 -0.33 0.37 1.02 -0.18 -2.37 118.68 122.42 2jwu s LEU 7 Ca 0.04 -0.05 0.03 0.00 0.02 0.00 0.00 54.13 54.17 2jwu s LEU 7 Cb -0.13 -1.77 0.10 0.00 0.02 0.00 0.00 46.19 44.40 2jwu s LEU 7 CO -0.06 0.25 0.05 0.20 0.02 0.00 0.00 176.35 176.81 2jwu s ASN 8 N -0.12 4.59 0.69 2.29 0.01 -1.01 -1.20 114.94 120.18 2jwu s ASN 8 Ca 0.03 -2.00 0.02 0.00 -0.71 0.00 0.00 52.86 50.20 2jwu s ASN 8 Cb -0.13 -1.47 0.12 0.00 0.41 0.00 0.00 41.25 40.18 2jwu s ASN 8 CO 0.02 -0.37 0.95 -0.76 -1.51 0.00 0.00 177.10 175.43 2jwu s LEU 9 N 1.06 3.01 0.21 0.60 1.43 -1.07 -2.29 118.68 121.62 2jwu s LEU 9 Ca 0.09 -0.48 0.11 0.00 -1.03 0.00 0.00 54.13 52.83 2jwu s LEU 9 Cb -0.19 -1.89 -0.04 0.00 0.03 0.00 0.00 46.19 44.11 2jwu s LEU 9 CO -0.11 -1.75 1.38 0.11 0.23 0.00 0.00 176.35 176.21 2jwu h LYS 10 N -0.37 0.00 0.02 1.70 1.79 -1.99 -3.36 116.57 114.36 2jwu h LYS 10 Ca -0.35 0.00 -0.17 0.00 -2.18 0.00 0.00 60.65 57.96 2jwu h LYS 10 Cb 1.27 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.90 2jwu h LYS 10 CO 0.40 0.72 -0.89 1.96 -1.08 0.00 0.00 179.45 180.56 2jwu h GLN 11 N 0.00 0.03 -2.30 3.15 1.08 -2.04 -3.49 115.11 111.55 2jwu h GLN 11 Ca -0.01 -0.06 -0.08 0.00 -1.45 0.00 0.00 58.65 57.06 2jwu h GLN 11 Cb 1.54 0.02 -0.19 0.00 -0.05 0.00 0.00 27.48 28.80 2jwu h GLN 11 CO 0.09 1.03 0.05 0.00 -0.95 0.00 0.00 178.83 179.05 2jwu s ALA 12 N -2.33 -1.48 -0.20 3.87 0.00 -1.26 -5.15 121.76 115.20 2jwu s ALA 12 Ca -0.25 1.06 -0.05 0.00 0.00 0.00 0.00 51.96 52.73 2jwu s ALA 12 Cb 0.03 -0.02 -0.02 0.00 0.00 0.00 0.00 23.12 23.11 2jwu s ALA 12 CO 0.65 -0.34 -0.01 0.15 0.00 0.00 0.00 175.76 176.21 2jwu s LYS 13 N -1.17 3.58 0.05 0.00 1.02 -1.26 -2.61 119.74 119.35 2jwu s LYS 13 Ca -0.11 -0.54 0.09 0.00 0.02 0.00 0.00 55.97 55.43 2jwu s LYS 13 Cb -0.02 -3.06 -0.03 0.00 -0.52 0.00 0.00 37.83 34.20 2jwu s LYS 13 CO 0.08 -0.01 -0.25 -1.21 -0.92 0.00 0.00 175.35 173.04 2jwu s GLU 14 N 1.05 1.82 0.00 1.68 0.41 -0.34 -4.98 118.70 118.34 2jwu s GLU 14 Ca 0.02 -1.11 0.00 0.00 -0.41 0.00 0.00 54.97 53.47 2jwu s GLU 14 Cb -0.14 -2.01 -0.00 0.00 -1.78 0.00 0.00 34.13 30.19 2jwu s GLU 14 CO 0.01 0.51 -0.02 -1.83 -0.49 0.00 0.00 175.26 173.45 2jwu s GLU 15 N -1.34 0.14 0.20 1.61 1.03 -1.26 -1.02 118.70 118.07 2jwu s GLU 15 Ca 0.12 -0.16 -0.16 0.00 0.03 0.00 0.00 54.97 54.80 2jwu s GLU 15 Cb -0.10 -0.06 0.02 0.00 -0.80 0.00 0.00 34.13 33.19 2jwu s GLU 15 CO 0.03 0.01 0.51 0.00 -1.33 0.00 0.00 175.26 174.48 2jwu s ALA 16 N -0.31 -0.80 -0.02 -0.84 0.00 -0.83 -5.03 121.76 113.93 2jwu s ALA 16 Ca -0.03 -0.36 0.06 0.00 0.00 0.00 0.00 51.96 51.64 2jwu s ALA 16 Cb -0.02 0.88 -0.02 0.00 0.00 0.00 0.00 23.12 23.96 2jwu s ALA 16 CO -0.00 -0.81 -0.21 0.42 0.00 0.00 0.00 175.76 175.15 2jwu s ILE 17 N -3.90 1.68 0.27 0.00 -1.09 -1.26 -2.04 121.20 114.85 2jwu s ILE 17 Ca 0.11 -0.91 0.02 0.00 -2.23 0.00 0.00 60.65 57.65 2jwu s ILE 17 Cb -0.01 -1.39 -0.05 0.00 -1.58 0.00 0.00 42.46 39.42 2jwu s ILE 17 CO -0.01 0.47 0.09 -0.54 -1.23 0.00 0.00 174.94 173.72 2jwu s LYS 18 N -0.48 1.45 -0.13 2.79 1.02 0.94 -5.01 119.74 120.33 2jwu s LYS 18 Ca 0.08 -1.79 -0.06 0.00 0.02 0.00 0.00 55.97 54.22 2jwu s LYS 18 Cb -0.08 -0.38 -0.04 0.00 -0.52 0.00 0.00 37.83 36.81 2jwu s LYS 18 CO -0.01 -0.27 0.08 -1.83 -0.92 0.00 0.00 175.35 172.41 2jwu s GLU 19 N -4.00 3.44 0.27 1.68 -1.05 -1.26 0.11 118.70 117.88 2jwu s GLU 19 Ca 0.37 -0.26 -0.07 0.00 -0.15 0.00 0.00 54.97 54.86 2jwu s GLU 19 Cb 0.08 -3.08 -0.01 0.00 -0.44 0.00 0.00 34.13 30.67 2jwu s GLU 19 CO 0.14 0.64 0.39 -0.51 0.95 0.00 0.00 175.26 176.87 2jwu s LEU 20 N -0.65 0.73 -0.11 1.83 2.01 -0.34 -4.79 118.68 117.35 2jwu s LEU 20 Ca 0.12 -1.21 0.06 0.00 0.01 0.00 0.00 54.13 53.11 2jwu s LEU 20 Cb -0.12 1.35 -0.11 0.00 0.01 0.00 0.00 46.19 47.32 2jwu s LEU 20 CO 0.02 -1.12 -0.02 0.52 1.01 0.00 0.00 176.35 176.77 2jwu n VAL 21 N -0.41 0.73 -4.14 -1.59 0.31 -1.26 0.94 118.33 112.90 2jwu n VAL 21 Ca 0.00 -0.38 -0.16 0.00 -0.01 0.00 0.00 64.34 63.79 2jwu n VAL 21 Cb 0.63 -0.82 -0.05 0.00 -0.91 0.00 0.00 33.84 32.69 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 -4.65 1.04 -0.13 4.52 1.01 -1.26 -3.90 116.67 113.30 2jwu s ASP 22 Ca -0.10 -1.53 -0.22 0.00 0.71 0.00 0.00 52.55 51.41 2jwu s ASP 22 Cb 0.04 0.62 -0.26 0.00 1.01 0.00 0.00 42.92 44.33 2jwu s ASP 22 CO 0.38 -1.22 0.60 0.00 0.21 0.00 0.00 175.17 175.14 2jwu h ALA 23 N 2.14 0.10 -0.70 5.23 0.00 -1.98 -2.23 119.26 121.83 2jwu h ALA 23 Ca -0.28 -0.87 0.14 0.00 0.00 0.00 0.00 54.91 53.91 2jwu h ALA 23 Cb 1.24 0.33 -0.13 0.00 0.00 0.00 0.00 17.79 19.23 2jwu h ALA 23 CO 0.39 0.47 -0.14 0.00 0.00 0.00 0.00 179.25 179.97 2jwu h ALA 24 N -0.11 0.51 -0.30 0.00 0.00 -1.99 0.82 119.26 118.19 2jwu h ALA 24 Ca -0.19 0.26 -0.15 0.00 0.00 0.00 0.00 54.91 54.83 2jwu h ALA 24 Cb 1.41 0.51 -0.00 0.00 0.00 0.00 0.00 17.79 19.70 2jwu h ALA 24 CO -0.00 -0.42 -0.40 1.15 0.00 0.00 0.00 179.25 179.58 2jwu h THR 25 N 0.02 1.29 -0.23 0.00 2.02 -2.00 -2.79 112.91 111.22 2jwu h THR 25 Ca 0.35 -1.58 0.06 0.00 0.77 0.00 0.00 66.41 66.01 2jwu h THR 25 Cb 0.54 1.58 -0.07 0.00 -1.74 0.00 0.00 68.15 68.46 2jwu h THR 25 CO -0.70 0.51 -0.33 0.00 0.37 0.00 0.00 175.52 175.37 2jwu h ALA 26 N 0.70 -0.32 -0.94 6.16 0.00 0.25 0.50 119.26 125.61 2jwu h ALA 26 Ca 0.04 0.05 0.23 0.00 0.00 0.00 0.00 54.91 55.22 2jwu h ALA 26 Cb 0.99 0.66 -0.07 0.00 0.00 0.00 0.00 17.79 19.37 2jwu h ALA 26 CO 0.09 -0.78 0.63 0.93 0.00 0.00 0.00 179.25 180.12 2jwu h GLU 27 N -0.35 0.34 -0.00 0.00 5.08 0.49 1.59 114.58 121.72 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 0.55 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.72 2jwu h GLU 27 CO -0.42 0.22 -0.00 -0.22 -1.00 0.00 0.00 179.01 177.59 2jwu h LYS 28 N 0.35 0.01 0.34 2.33 3.64 0.13 -1.42 116.57 121.94 2jwu h LYS 28 Ca 0.49 -0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.85 2jwu h LYS 28 Cb 1.33 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.16 2jwu h LYS 28 CO -0.18 0.41 -0.16 -0.92 -2.27 0.00 0.00 179.45 176.33 2jwu h TYR 29 N -0.40 -0.42 -0.61 1.91 5.03 0.12 -2.66 116.97 119.94 2jwu h TYR 29 Ca 0.00 -0.01 0.11 0.00 2.58 0.00 0.00 58.73 61.41 2jwu h TYR 29 Cb 0.41 0.14 -0.12 0.00 1.55 0.00 0.00 36.73 38.71 2jwu h TYR 29 CO 0.07 -0.26 -0.30 0.74 -1.32 0.00 0.00 178.16 177.08 2jwu h PHE 30 N -0.99 -0.82 -0.18 -3.82 0.04 0.21 0.51 116.94 111.89 2jwu h PHE 30 Ca -0.05 0.07 0.00 0.00 2.80 0.00 0.00 57.97 60.80 2jwu h PHE 30 Cb 0.35 0.45 -0.01 0.00 2.20 0.00 0.00 35.95 38.94 2jwu h PHE 30 CO 0.01 -0.37 0.12 -0.22 -0.60 0.00 0.00 178.31 177.25 2jwu h LYS 31 N -0.13 0.23 -0.05 1.51 3.11 -1.38 -0.52 116.57 119.34 2jwu h LYS 31 Ca 0.25 -0.01 -0.08 0.00 -2.81 0.00 0.00 60.65 58.00 2jwu h LYS 31 Cb 0.54 -0.05 -0.01 0.00 -1.00 0.00 0.00 32.23 31.71 2jwu h LYS 31 CO -0.69 0.15 -0.34 -0.07 -2.81 0.00 0.00 179.45 175.69 2jwu h LEU 32 N 0.24 0.10 0.03 5.20 4.07 0.33 -0.96 115.31 124.32 2jwu h LEU 32 Ca 0.06 -0.04 -0.00 0.00 0.08 0.00 0.00 57.88 57.99 2jwu h LEU 32 Cb -0.03 -0.03 0.00 0.00 1.08 0.00 0.00 40.66 41.68 2jwu h LEU 32 CO -0.01 0.45 -0.01 0.22 -1.08 0.00 0.00 178.44 178.00 2jwu h TYR 33 N 0.09 -0.03 0.00 1.13 5.03 0.20 -2.50 116.97 120.89 2jwu h TYR 33 Ca 0.01 -0.00 -0.02 0.00 2.58 0.00 0.00 58.73 61.30 2jwu h TYR 33 Cb 0.66 0.01 -0.00 0.00 1.55 0.00 0.00 36.73 38.95 2jwu h TYR 33 CO 0.00 0.67 -0.08 0.00 -1.32 0.00 0.00 178.16 177.43 2jwu h ALA 34 N 0.04 1.38 0.15 1.82 0.00 -1.31 0.30 119.26 121.64 2jwu h ALA 34 Ca -0.00 -0.07 -0.24 0.00 0.00 0.00 0.00 54.91 54.59 2jwu h ALA 34 Cb 0.72 -0.01 0.03 0.00 0.00 0.00 0.00 17.79 18.52 2jwu h ALA 34 CO 0.01 0.10 -1.02 -0.91 0.00 0.00 0.00 179.25 177.43 2jwu h ASN 35 N 0.00 0.64 0.04 0.00 4.21 -1.22 -2.76 115.58 116.50 2jwu h ASN 35 Ca -0.00 -0.90 -0.00 0.00 1.21 0.00 0.00 56.30 56.61 2jwu h ASN 35 Cb 0.22 -0.21 0.00 0.00 -1.12 0.00 0.00 38.32 37.21 2jwu h ASN 35 CO 0.01 1.49 -0.02 0.00 -1.29 0.00 0.00 177.43 177.62 2jwu h ALA 36 N 0.16 -0.06 0.08 -0.83 0.00 -1.11 -3.41 119.26 114.11 2jwu h ALA 36 Ca -0.17 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.55 2jwu h ALA 36 Cb 1.78 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.59 2jwu h ALA 36 CO 0.19 -0.06 -0.04 0.87 0.00 0.00 0.00 179.25 180.21 2jwu h LYS 37 N -0.99 -0.11 0.00 0.00 6.56 -0.60 -3.47 116.57 117.96 2jwu h LYS 37 Ca -0.01 0.01 0.00 0.00 -1.06 0.00 0.00 60.65 59.59 2jwu h LYS 37 Cb 0.39 0.02 0.00 0.00 -0.57 0.00 0.00 32.23 32.07 2jwu h LYS 37 CO 0.01 -0.07 0.00 0.25 -2.06 0.00 0.00 179.45 177.58 2jwu n THR 38 N -2.32 0.00 -3.71 -0.16 -2.24 -1.07 -5.05 114.28 99.73 2jwu n THR 38 Ca -0.01 0.00 -0.23 0.00 -2.27 0.00 0.00 64.05 61.53 2jwu n THR 38 Cb 0.04 -0.29 -0.02 0.00 -2.10 0.00 0.00 70.33 67.97 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 2.06 2.15 -0.18 2.28 -7.23 -1.06 -4.04 120.40 114.38 2jwu s VAL 39 Ca 0.00 -1.41 -0.06 0.00 -1.81 0.00 0.00 61.98 58.70 2jwu s VAL 39 Cb 0.00 -2.56 -0.03 0.00 0.56 0.00 0.00 36.38 34.35 2jwu s VAL 39 CO 0.00 0.00 0.03 -1.83 -0.31 0.00 0.00 175.10 172.99 2jwu s GLU 40 N -4.22 3.82 0.00 4.82 -1.05 -1.26 -4.67 118.70 116.14 2jwu s GLU 40 Ca 0.43 -0.43 0.00 0.00 -0.15 0.00 0.00 54.97 54.82 2jwu s GLU 40 Cb -0.02 -3.12 0.00 0.00 -0.44 0.00 0.00 34.13 30.55 2jwu s GLU 40 CO 0.25 0.20 0.00 0.41 0.95 0.00 0.00 175.26 177.08 2jwu n GLY 41 N 3.72 5.31 3.73 -3.83 0.00 -1.25 -4.96 105.19 107.91 2jwu n GLY 41 Ca -0.17 -0.86 -0.42 0.00 0.00 0.00 0.00 46.02 44.58 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 1.38 2.22 0.07 1.61 -7.23 0.15 -4.71 120.40 113.88 2jwu s VAL 42 Ca 0.00 0.17 0.04 0.00 -1.81 0.00 0.00 61.98 60.38 2jwu s VAL 42 Cb 0.00 -3.11 -0.04 0.00 0.56 0.00 0.00 36.38 33.79 2jwu s VAL 42 CO 0.00 0.02 -0.03 0.26 -0.31 0.00 0.00 175.10 175.04 2jwu s TRP 43 N 0.59 2.95 -0.26 2.82 0.52 -1.26 -0.18 118.94 124.12 2jwu s TRP 43 Ca 0.68 -0.03 -0.03 0.00 0.02 0.00 0.00 56.10 56.74 2jwu s TRP 43 Cb -0.47 -1.55 0.15 0.00 -1.15 0.00 0.00 33.47 30.45 2jwu s TRP 43 CO 0.39 0.45 0.47 0.95 0.02 0.00 0.00 176.95 179.23 2jwu s THR 44 N -1.22 -0.76 0.34 2.01 -4.23 0.40 -4.94 115.64 107.24 2jwu s THR 44 Ca 0.23 -0.02 -0.07 0.00 -1.18 0.00 0.00 61.69 60.64 2jwu s THR 44 Cb -0.11 -0.87 -0.06 0.00 1.34 0.00 0.00 72.50 72.80 2jwu s THR 44 CO 0.15 -0.06 0.64 -0.47 -0.54 0.00 0.00 174.62 174.34 2jwu s TYR 45 N 2.67 3.47 -0.09 3.99 5.04 -1.26 0.06 117.35 131.23 2jwu s TYR 45 Ca 0.14 0.81 0.03 0.00 -2.44 0.00 0.00 57.07 55.61 2jwu s TYR 45 Cb -0.15 -2.25 0.01 0.00 0.35 0.00 0.00 41.96 39.92 2jwu s TYR 45 CO -0.17 0.06 -0.18 0.21 -1.34 0.00 0.00 175.55 174.13 2jwu s LYS 46 N -3.66 2.42 -0.35 4.97 2.47 0.19 -4.93 119.74 120.85 2jwu s LYS 46 Ca 0.47 -0.65 0.05 0.00 -1.56 0.00 0.00 55.97 54.28 2jwu s LYS 46 Cb -0.11 -1.92 0.60 0.00 -1.46 0.00 0.00 37.83 34.94 2jwu s LYS 46 CO 0.30 0.06 1.74 -0.40 0.16 0.00 0.00 175.35 177.22 2jwu n ASP 47 N 3.80 3.94 0.04 1.43 5.68 -1.26 -2.43 116.55 127.75 2jwu n ASP 47 Ca -0.20 -3.25 -0.15 0.00 -0.50 0.00 0.00 54.79 50.68 2jwu n ASP 47 Cb 0.52 -0.76 -0.14 0.00 -1.14 0.00 0.00 41.12 39.60 2jwu n ASP 47 CO 0.00 0.00 0.00 -0.08 -1.33 0.00 0.00 177.20 175.79 2jwu h GLU 48 N 1.39 0.19 0.00 0.11 4.81 -1.95 -3.43 114.58 115.70 2jwu h GLU 48 Ca 0.43 -0.33 -0.07 0.00 -0.13 0.00 0.00 59.36 59.26 2jwu h GLU 48 Cb 2.43 0.12 -0.06 0.00 0.63 0.00 0.00 28.75 31.87 2jwu h GLU 48 CO 0.84 1.01 -0.11 0.25 -0.73 0.00 0.00 179.01 180.27 2jwu n THR 49 N -3.38 0.00 -2.75 0.32 -2.24 -1.26 -5.05 114.28 99.92 2jwu n THR 49 Ca -0.18 -0.37 -0.07 0.00 -2.27 0.00 0.00 64.05 61.16 2jwu n THR 49 Cb 1.04 0.67 0.01 0.00 -2.10 0.00 0.00 70.33 69.95 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 -0.58 -2.15 -3.82 -0.78 5.02 -1.23 -4.75 118.16 109.88 2jwu n LYS 50 Ca -0.07 1.97 -0.18 0.00 -2.02 0.00 0.00 58.31 58.01 2jwu n LYS 50 Cb 0.64 -5.37 -0.17 0.00 -0.02 0.00 0.00 35.03 30.12 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 -2.51 0.08 0.05 -0.18 2.01 -1.02 -2.33 115.64 111.74 2jwu s THR 51 Ca 0.22 0.20 -0.05 0.00 0.31 0.00 0.00 61.69 62.37 2jwu s THR 51 Cb -0.06 -0.24 -0.05 0.00 0.01 0.00 0.00 72.50 72.16 2jwu s THR 51 CO 0.71 0.16 0.29 -0.36 -0.69 0.00 0.00 174.62 174.72 2jwu s PHE 52 N 1.42 3.54 -0.20 4.92 0.40 0.30 0.53 117.98 128.90 2jwu s PHE 52 Ca -0.04 0.52 -0.04 0.00 -0.60 0.00 0.00 56.93 56.76 2jwu s PHE 52 Cb -0.13 -1.96 0.08 0.00 0.51 0.00 0.00 43.02 41.53 2jwu s PHE 52 CO -0.03 0.56 0.19 0.99 0.70 0.00 0.00 175.22 177.63 2jwu s THR 53 N -1.43 -0.26 -0.00 0.64 2.01 0.11 -1.85 115.64 114.86 2jwu s THR 53 Ca 0.32 -0.14 0.05 0.00 0.31 0.00 0.00 61.69 62.24 2jwu s THR 53 Cb -0.13 -0.65 -0.01 0.00 0.01 0.00 0.00 72.50 71.71 2jwu s THR 53 CO 0.20 -0.23 -0.15 0.54 -0.69 0.00 0.00 174.62 174.29 2jwu s VAL 54 N 2.27 1.22 0.21 3.82 0.11 -1.00 0.15 120.40 127.19 2jwu s VAL 54 Ca 0.06 -0.73 -0.02 0.00 -2.93 0.00 0.00 61.98 58.36 2jwu s VAL 54 Cb -0.16 -1.03 -0.04 0.00 -1.53 0.00 0.00 36.38 33.62 2jwu s VAL 54 CO -0.11 0.29 0.16 0.28 -3.33 0.00 0.00 175.10 172.39 2jwu s THR 55 N -0.44 0.00 0.00 5.04 -1.32 0.74 -2.42 115.64 117.25 2jwu s THR 55 Ca 0.05 -1.95 0.00 0.00 -1.21 0.00 0.00 61.69 58.58 2jwu s THR 55 Cb -0.06 -2.48 0.00 0.00 -1.51 0.00 0.00 72.50 68.45 2jwu s THR 55 CO -0.00 0.00 0.32 1.21 -2.21 0.00 0.00 174.62 173.94